#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n GLY 3 N 0.00 2.70 1.66 7.55 0.00 -1.26 -5.02 105.19 110.81 3k1f n GLY 3 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3k1f n GLY 3 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1f n GLN 4 N 0.45 -4.32 0.00 1.61 7.27 -1.26 -3.61 117.38 117.52 3k1f n GLN 4 Ca 0.22 3.15 0.00 0.00 0.07 0.00 0.00 57.00 60.44 3k1f n GLN 4 Cb 1.00 -3.32 0.00 0.00 2.41 0.00 0.00 30.24 30.34 3k1f n GLN 4 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 3k1f n GLN 5 N 1.18 0.00 -3.17 3.69 7.27 -1.26 -4.77 117.38 120.31 3k1f n GLN 5 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 3k1f n GLN 5 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 3k1f n GLN 5 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 3k1f s TYR 6 N -1.29 3.81 -0.03 3.69 5.04 -1.26 -5.09 117.35 122.22 3k1f s TYR 6 Ca 0.00 1.39 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 3k1f s TYR 6 Cb 0.00 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.73 3k1f s TYR 6 CO 0.00 0.52 -0.07 0.45 -1.34 0.00 0.00 175.55 175.11 3k1f s SER 7 N -1.23 1.03 0.18 4.32 0.15 -1.26 -5.05 113.70 111.83 3k1f s SER 7 Ca 0.33 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 57.02 3k1f s SER 7 Cb -0.20 -0.30 0.84 0.00 -1.71 0.00 0.00 66.02 64.65 3k1f s SER 7 CO 0.21 0.04 1.59 -1.54 1.20 0.00 0.00 173.24 174.74 3k1f n SER 8 N 3.40 0.43 -4.63 5.45 3.41 -1.26 -4.84 113.62 115.58 3k1f n SER 8 Ca -0.19 0.62 -0.47 0.00 -0.26 0.00 0.00 58.87 58.57 3k1f n SER 8 Cb 0.54 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3k1f n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1f n ALA 9 N -1.68 0.22 -1.81 7.33 0.00 -1.26 -4.90 120.51 118.41 3k1f n ALA 9 Ca 0.02 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3k1f n ALA 9 Cb 0.18 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 3k1f n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k1f s PRO 10 N 0.01 4.29 -0.12 0.00 0.04 -1.26 -4.99 135.00 132.96 3k1f s PRO 10 Ca 0.75 2.30 -0.21 0.00 0.04 0.00 0.00 61.00 63.87 3k1f s PRO 10 Cb -0.77 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 3k1f s PRO 10 CO 0.48 -0.32 0.63 -1.17 0.04 0.00 0.00 177.00 176.65 3k1f s LEU 11 N -1.34 4.25 0.25 -3.56 0.20 -1.26 -5.06 118.68 112.16 3k1f s LEU 11 Ca 0.53 0.98 0.01 0.00 0.69 0.00 0.00 54.13 56.34 3k1f s LEU 11 Cb -0.41 -2.93 -0.04 0.00 -0.43 0.00 0.00 46.19 42.37 3k1f s LEU 11 CO 0.51 -0.15 0.13 -0.60 -0.29 0.00 0.00 176.35 175.95 3k1f s ARG 12 N 1.15 1.40 -0.01 1.98 3.52 -1.26 -5.17 118.95 120.56 3k1f s ARG 12 Ca 0.32 -1.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.17 3k1f s ARG 12 Cb -0.16 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 3k1f s ARG 12 CO 0.13 -0.37 -0.01 0.95 -0.81 0.00 0.00 175.30 175.20 3k1f s THR 13 N -3.84 4.12 -0.32 4.11 -4.23 -1.26 -5.07 115.64 109.15 3k1f s THR 13 Ca 0.38 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3k1f s THR 13 Cb 0.07 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3k1f s THR 13 CO 0.14 0.40 1.49 -0.69 -0.54 0.00 0.00 174.62 175.42 3k1f s VAL 14 N -1.06 3.86 -0.91 2.29 1.01 -1.26 -4.84 120.40 119.49 3k1f s VAL 14 Ca 0.19 0.93 0.14 0.00 0.00 0.00 0.00 61.98 63.23 3k1f s VAL 14 Cb -0.11 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3k1f s VAL 14 CO 0.09 -0.51 0.66 0.29 0.00 0.00 0.00 175.10 175.63 3k1f n LYS 15 N 7.79 2.28 -3.74 2.72 5.02 -1.26 -4.97 118.16 125.99 3k1f n LYS 15 Ca 0.17 -0.32 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 3k1f n LYS 15 Cb 0.47 -1.16 -0.10 0.00 -0.02 0.00 0.00 35.03 34.21 3k1f n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3k1f s GLU 16 N -2.02 0.43 -0.30 1.97 2.02 -1.26 -4.42 118.70 115.13 3k1f s GLU 16 Ca 0.08 0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.62 3k1f s GLU 16 Cb 0.11 0.21 0.09 0.00 0.10 0.00 0.00 34.13 34.63 3k1f s GLU 16 CO 0.46 -0.06 0.02 0.08 0.02 0.00 0.00 175.26 175.79 3k1f s VAL 17 N 0.23 1.83 -0.47 2.63 1.01 -0.47 -4.96 120.40 120.20 3k1f s VAL 17 Ca -0.00 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 59.92 3k1f s VAL 17 Cb -0.03 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3k1f s VAL 17 CO 0.00 -0.45 0.68 -1.10 0.00 0.00 0.00 175.10 174.24 3k1f s GLN 18 N 1.17 3.26 0.64 2.72 -1.52 -1.26 -0.82 119.66 123.84 3k1f s GLN 18 Ca 0.05 -0.46 -0.06 0.00 -1.95 0.00 0.00 55.36 52.95 3k1f s GLN 18 Cb -0.19 -4.00 0.03 0.00 -0.22 0.00 0.00 33.01 28.64 3k1f s GLN 18 CO -0.11 -1.12 0.94 -0.06 -0.25 0.00 0.00 175.29 174.69 3k1f s PHE 19 N 2.94 3.07 -4.13 0.91 0.40 -0.08 -5.02 117.98 116.07 3k1f s PHE 19 Ca 0.22 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 3k1f s PHE 19 Cb -0.15 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.45 3k1f s PHE 19 CO 0.18 -1.08 0.00 0.41 0.70 0.00 0.00 175.22 175.43 3k1f n GLY 20 N -2.71 -0.79 3.60 4.36 0.00 -1.25 -4.24 105.19 104.17 3k1f n GLY 20 Ca 0.06 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 3k1f n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 21 N 0.00 3.05 -0.14 0.99 1.43 -0.17 -4.53 118.68 119.31 3k1f s LEU 21 Ca 0.00 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.16 3k1f s LEU 21 Cb 0.00 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3k1f s LEU 21 CO 0.00 0.02 0.70 -0.36 0.23 0.00 0.00 176.35 176.94 3k1f s PHE 22 N -2.30 3.46 -0.02 0.29 0.40 -1.26 -4.76 117.98 113.79 3k1f s PHE 22 Ca 0.30 1.11 -0.29 0.00 -0.60 0.00 0.00 56.93 57.46 3k1f s PHE 22 Cb -0.06 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 3k1f s PHE 22 CO 0.18 -0.09 0.96 0.45 0.70 0.00 0.00 175.22 177.42 3k1f s SER 23 N 1.03 7.32 0.50 1.36 0.15 -1.26 -4.88 113.70 117.91 3k1f s SER 23 Ca 0.34 1.60 0.28 0.00 0.70 0.00 0.00 55.95 58.87 3k1f s SER 23 Cb -0.17 -2.55 1.37 0.00 -1.71 0.00 0.00 66.02 62.96 3k1f s SER 23 CO 0.13 -0.26 1.85 -0.65 1.20 0.00 0.00 173.24 175.51 3k1f h PRO 24 N 6.82 0.13 -0.30 5.44 0.11 -1.94 0.28 132.00 142.55 3k1f h PRO 24 Ca -0.40 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 3k1f h PRO 24 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3k1f h PRO 24 CO 0.76 0.09 -0.30 0.93 -0.21 0.00 0.00 178.00 179.27 3k1f h GLU 25 N 0.13 0.62 -0.12 1.05 3.07 -1.97 -1.55 114.58 115.81 3k1f h GLU 25 Ca 0.49 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 3k1f h GLU 25 Cb 1.70 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 3k1f h GLU 25 CO -0.08 0.85 -0.24 1.49 -1.40 0.00 0.00 179.01 179.62 3k1f h GLU 26 N 0.53 0.38 -0.15 2.33 4.81 -0.91 -0.65 114.58 120.91 3k1f h GLU 26 Ca 0.06 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3k1f h GLU 26 Cb 0.78 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 3k1f h GLU 26 CO 0.06 0.84 -0.07 0.28 -0.73 0.00 0.00 179.01 179.39 3k1f h VAL 27 N -0.04 0.76 -0.74 0.32 2.07 -1.06 -0.25 116.25 117.31 3k1f h VAL 27 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3k1f h VAL 27 Cb 0.83 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3k1f h VAL 27 CO 0.05 0.00 0.43 -0.09 0.02 0.00 0.00 177.57 177.98 3k1f h ARG 28 N -0.06 0.76 -0.02 1.57 2.43 -1.28 -0.97 114.38 116.82 3k1f h ARG 28 Ca 0.09 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3k1f h ARG 28 Cb 0.18 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3k1f h ARG 28 CO -0.19 0.50 -0.00 0.00 -1.51 0.00 0.00 179.97 178.77 3k1f h ALA 29 N 1.37 0.03 -0.41 2.80 0.00 -0.45 -3.19 119.26 119.41 3k1f h ALA 29 Ca 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k1f h ALA 29 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k1f h ALA 29 CO -0.18 -0.29 0.08 0.82 0.00 0.00 0.00 179.25 179.68 3k1f h ILE 30 N -0.29 1.19 -1.44 0.00 2.04 -0.98 -3.45 117.51 114.58 3k1f h ILE 30 Ca 0.01 -0.70 -0.76 0.00 1.00 0.00 0.00 64.86 64.41 3k1f h ILE 30 Cb 0.36 0.79 0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3k1f h ILE 30 CO 0.00 0.25 0.82 -0.24 0.00 0.00 0.00 178.15 178.98 3k1f n SER 31 N -4.31 2.07 0.02 1.72 2.88 -0.38 -4.87 113.62 110.75 3k1f n SER 31 Ca 0.02 1.10 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 3k1f n SER 31 Cb 0.21 -1.09 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 3k1f n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3k1f n VAL 32 N 4.28 1.03 -4.32 2.46 0.24 -0.62 -4.95 118.33 116.46 3k1f n VAL 32 Ca 0.27 -0.68 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 3k1f n VAL 32 Cb 0.10 -0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 31.76 3k1f n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1f s ALA 33 N -2.98 1.96 0.06 2.33 0.00 -1.25 -4.78 121.76 117.10 3k1f s ALA 33 Ca -0.04 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 3k1f s ALA 33 Cb 0.09 -0.22 -0.29 0.00 0.00 0.00 0.00 23.12 22.70 3k1f s ALA 33 CO 0.82 0.31 1.11 0.87 0.00 0.00 0.00 175.76 178.87 3k1f h LYS 34 N 3.62 0.45 -5.08 0.00 1.79 -1.88 -3.24 116.57 112.23 3k1f h LYS 34 Ca -0.44 -0.69 0.00 0.00 -2.18 0.00 0.00 60.65 57.34 3k1f h LYS 34 Cb 1.19 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 32.05 3k1f h LYS 34 CO 0.46 1.31 -1.15 -0.89 -1.08 0.00 0.00 179.45 178.10 3k1f n ILE 35 N -3.67-12.26 0.00 1.86 -0.00 -1.24 -4.66 119.36 99.38 3k1f n ILE 35 Ca -0.12 2.10 0.00 0.00 -0.00 0.00 0.00 62.75 64.73 3k1f n ILE 35 Cb 1.02 -6.83 0.00 0.00 -0.00 0.00 0.00 39.64 33.83 3k1f n ILE 35 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3k1f n ARG 36 N 0.96 0.56 -2.69 0.38 1.74 -1.23 -4.84 116.66 111.55 3k1f n ARG 36 Ca -0.11 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 3k1f n ARG 36 Cb 0.17 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.84 3k1f n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k1f s PHE 37 N -1.49 3.58 -1.82 -1.55 0.40 -1.26 -4.96 117.98 110.88 3k1f s PHE 37 Ca 0.00 1.63 0.07 0.00 -0.60 0.00 0.00 56.93 58.03 3k1f s PHE 37 Cb 0.00 -3.17 0.22 0.00 0.51 0.00 0.00 43.02 40.59 3k1f s PHE 37 CO 0.00 -0.17 1.14 -0.35 0.70 0.00 0.00 175.22 176.54 3k1f n PRO 38 N 4.43 1.67 0.00 0.24 -0.04 -1.26 -3.63 135.00 136.41 3k1f n PRO 38 Ca 0.07 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 3k1f n PRO 38 Cb 0.50 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3k1f n PRO 38 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k1f n GLU 39 N 0.21 3.30 0.00 0.54 4.71 -1.26 -4.76 120.64 123.38 3k1f n GLU 39 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3k1f n GLU 39 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.69 3k1f n GLU 39 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3k1f n THR 40 N 0.00 0.00 -1.44 2.62 -2.24 -1.26 -4.56 114.28 107.40 3k1f n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k1f n THR 40 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3k1f n THR 40 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3k1f n MET 41 N 0.00 3.16 -3.33 -0.78 2.81 -1.26 -2.57 117.12 115.15 3k1f n MET 41 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 3k1f n MET 41 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 3k1f n MET 41 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3k1f n ASP 42 N 0.00 -5.03 -4.55 7.83 9.92 -0.50 -4.58 116.55 119.64 3k1f n ASP 42 Ca 0.00 -0.69 -0.36 0.00 -0.53 0.00 0.00 54.79 53.21 3k1f n ASP 42 Cb 0.00 -5.12 -0.03 0.00 -0.64 0.00 0.00 41.12 35.33 3k1f n ASP 42 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3k1f s GLU 43 N -4.78 2.49 -0.92 -1.24 -1.05 -1.16 -0.72 118.70 111.31 3k1f s GLU 43 Ca 0.30 0.67 -0.02 0.00 -0.15 0.00 0.00 54.97 55.77 3k1f s GLU 43 Cb -0.04 -4.50 0.00 0.00 -0.44 0.00 0.00 34.13 29.15 3k1f s GLU 43 CO 0.74 -2.95 0.32 2.41 0.95 0.00 0.00 175.26 176.73 3k1f n THR 44 N 7.47 -1.11 -1.09 1.83 -1.04 -1.26 -2.72 114.28 116.36 3k1f n THR 44 Ca 0.26 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.24 3k1f n THR 44 Cb 0.52 -2.41 -0.01 0.00 -1.82 0.00 0.00 70.33 66.61 3k1f n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1f n GLN 45 N -2.60 -0.84 -2.71 -2.82 1.13 0.10 -5.02 117.38 104.62 3k1f n GLN 45 Ca -0.08 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 54.98 3k1f n GLN 45 Cb 0.58 -4.17 -0.03 0.00 0.11 0.00 0.00 30.24 26.73 3k1f n GLN 45 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k1f s THR 46 N -1.80 4.81 -0.90 5.09 2.01 -1.10 -4.84 115.64 118.92 3k1f s THR 46 Ca 0.00 2.02 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 3k1f s THR 46 Cb 0.00 -4.30 -0.22 0.00 0.01 0.00 0.00 72.50 67.99 3k1f s THR 46 CO 0.00 0.04 1.96 -1.14 -0.69 0.00 0.00 174.62 174.79 3k1f n ARG 47 N 4.79 0.60 -3.64 4.92 0.63 -1.26 -2.83 116.66 119.87 3k1f n ARG 47 Ca 0.08 -1.80 -0.10 0.00 -0.92 0.00 0.00 57.85 55.11 3k1f n ARG 47 Cb 0.49 -3.55 -0.07 0.00 0.45 0.00 0.00 32.46 29.78 3k1f n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k1f s ALA 48 N 12.87 -1.90 0.06 5.13 0.00 -1.26 -4.96 121.76 131.70 3k1f s ALA 48 Ca 0.74 2.12 -0.31 0.00 0.00 0.00 0.00 51.96 54.51 3k1f s ALA 48 Cb 0.01 -1.36 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 3k1f s ALA 48 CO 0.20 -0.33 1.40 0.15 0.00 0.00 0.00 175.76 177.18 3k1f s LYS 49 N 0.77 4.31 0.47 0.00 1.02 -1.26 -1.41 119.74 123.64 3k1f s LYS 49 Ca -0.03 2.02 -0.21 0.00 0.02 0.00 0.00 55.97 57.77 3k1f s LYS 49 Cb -0.05 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.77 3k1f s LYS 49 CO -0.08 -0.50 1.05 0.42 -0.92 0.00 0.00 175.35 175.32 3k1f s ILE 50 N 1.73 3.73 -0.71 2.17 1.01 -1.06 -4.87 121.20 123.20 3k1f s ILE 50 Ca 0.64 1.12 -0.22 0.00 0.00 0.00 0.00 60.65 62.20 3k1f s ILE 50 Cb -0.34 -3.48 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 3k1f s ILE 50 CO 0.29 -0.19 1.90 0.61 0.00 0.00 0.00 174.94 177.55 3k1f n GLY 51 N -0.11 2.43 1.78 6.18 0.00 -1.26 -3.88 105.19 110.33 3k1f n GLY 51 Ca 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3k1f n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 52 N 4.53 -1.52 3.27 -0.02 0.00 -1.26 -4.73 105.19 105.45 3k1f n GLY 52 Ca 0.49 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 46.57 3k1f n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1f s LEU 53 N -4.67 2.07 0.10 0.99 0.20 -1.24 -3.51 118.68 112.62 3k1f s LEU 53 Ca 0.00 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.31 3k1f s LEU 53 Cb 0.00 -1.37 0.00 0.00 -0.43 0.00 0.00 46.19 44.39 3k1f s LEU 53 CO 0.00 0.24 0.00 -0.46 -0.29 0.00 0.00 176.35 175.84 3k1f n ASN 54 N 2.95 -7.50 -3.88 3.68 0.23 -1.26 -4.56 115.26 104.93 3k1f n ASN 54 Ca -0.17 1.51 -0.29 0.00 -0.53 0.00 0.00 54.58 55.09 3k1f n ASN 54 Cb 0.52 -4.48 0.03 0.00 -2.08 0.00 0.00 39.78 33.77 3k1f n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3k1f n ASP 55 N 1.89 -4.54 0.00 0.53 2.03 -1.26 -4.42 116.55 110.79 3k1f n ASP 55 Ca 0.00 -0.77 0.11 0.00 0.52 0.00 0.00 54.79 54.65 3k1f n ASP 55 Cb 0.00 -3.97 0.65 0.00 -0.72 0.00 0.00 41.12 37.08 3k1f n ASP 55 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3k1f n PRO 56 N -4.67 0.86 0.00 -0.67 -0.05 -1.26 -4.60 135.00 124.61 3k1f n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3k1f n PRO 56 Cb 0.54 -1.40 0.00 0.00 -0.05 0.00 0.00 33.50 32.59 3k1f n PRO 56 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3k1f n ARG 57 N -0.90 0.00 -0.12 0.54 1.74 -1.26 -4.84 116.66 111.82 3k1f n ARG 57 Ca 0.17 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 3k1f n ARG 57 Cb 0.08 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.49 3k1f n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k1f n LEU 58 N 0.00 -0.30 0.00 0.55 4.77 -1.26 -3.54 117.00 117.21 3k1f n LEU 58 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3k1f n LEU 58 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3k1f n LEU 58 CO 0.00 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.21 3k1f n GLY 59 N -1.07 2.79 3.56 -0.72 0.00 -1.26 -2.31 105.19 106.18 3k1f n GLY 59 Ca 0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3k1f n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k1f n SER 60 N 0.00 -0.02 -0.00 1.61 2.88 -1.08 -4.06 113.62 112.95 3k1f n SER 60 Ca 0.00 0.69 0.02 0.00 -1.33 0.00 0.00 58.87 58.25 3k1f n SER 60 Cb 0.00 -1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 62.10 3k1f n SER 60 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3k1f n ILE 61 N -2.20 0.00 -4.56 2.46 5.41 -1.26 -4.93 119.36 114.27 3k1f n ILE 61 Ca 0.12 -0.31 -0.26 0.00 1.00 0.00 0.00 62.75 63.31 3k1f n ILE 61 Cb 0.49 0.82 -0.11 0.00 -0.71 0.00 0.00 39.64 40.13 3k1f n ILE 61 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3k1f s ASP 62 N -1.78 3.31 -1.17 4.38 1.01 -1.26 -4.66 116.67 116.51 3k1f s ASP 62 Ca 0.01 -1.40 -0.14 0.00 0.71 0.00 0.00 52.55 51.73 3k1f s ASP 62 Cb 0.03 -0.20 -0.06 0.00 1.01 0.00 0.00 42.92 43.71 3k1f s ASP 62 CO 0.20 -0.55 2.24 0.54 0.21 0.00 0.00 175.17 177.81 3k1f n ARG 63 N -0.88 2.44 -3.42 8.23 5.12 -1.26 -4.67 116.66 122.21 3k1f n ARG 63 Ca -0.05 -2.07 -0.01 0.00 -1.93 0.00 0.00 57.85 53.79 3k1f n ARG 63 Cb 0.67 -2.92 -0.04 0.00 -1.16 0.00 0.00 32.46 29.00 3k1f n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3k1f s ASN 64 N 3.61 -0.96 0.00 0.55 -0.87 -1.26 -5.14 114.94 110.87 3k1f s ASN 64 Ca 0.53 1.07 0.00 0.00 -1.57 0.00 0.00 52.86 52.89 3k1f s ASN 64 Cb 0.14 1.99 0.00 0.00 -0.02 0.00 0.00 41.25 43.36 3k1f s ASN 64 CO -0.01 -0.25 0.00 0.18 -2.57 0.00 0.00 177.10 174.45 3k1f n LEU 65 N 5.42 0.00 0.00 0.60 4.77 -1.26 -4.81 117.00 121.72 3k1f n LEU 65 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3k1f n LEU 65 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3k1f n LEU 65 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 3k1f n LYS 66 N 0.00 0.00 0.00 3.23 0.00 -1.26 -3.96 118.16 116.17 3k1f n LYS 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3k1f n LYS 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3k1f n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k1f n GLN 68 N 0.00 0.00 0.00 0.00 -0.00 -1.23 0.04 117.38 116.19 3k1f n GLN 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3k1f n GLN 68 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3k1f n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3k1f n THR 69 N 0.00 0.00 -0.05 -0.39 -1.04 -1.26 -4.56 114.28 106.97 3k1f n THR 69 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 3k1f n THR 69 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 3k1f n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1f n GLN 71 N -4.36 0.00 -0.29 0.00 3.00 0.11 -4.82 117.38 111.02 3k1f n GLN 71 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 3k1f n GLN 71 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.91 3k1f n GLN 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3k1f n GLU 72 N 0.00 0.00 0.00 -1.09 -0.58 -1.26 -4.59 120.64 113.11 3k1f n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3k1f n GLU 72 Cb 0.00 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 27.71 3k1f n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k1f n GLY 73 N -0.91 -1.44 0.07 0.62 0.00 -1.25 -4.64 105.19 97.64 3k1f n GLY 73 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 3k1f n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k1f h MET 74 N 0.00 -0.03 -7.09 1.61 2.86 -1.83 -3.40 114.93 107.04 3k1f h MET 74 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 3k1f h MET 74 Cb 0.00 0.01 0.08 0.00 0.06 0.00 0.00 31.60 31.75 3k1f h MET 74 CO 0.00 0.15 0.44 1.21 1.06 0.00 0.00 176.91 179.77 3k1f s ASN 75 N -5.62 5.57 0.00 1.22 3.04 -1.26 -3.53 114.94 114.36 3k1f s ASN 75 Ca -0.04 2.21 0.00 0.00 0.04 0.00 0.00 52.86 55.07 3k1f s ASN 75 Cb -0.00 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 3k1f s ASN 75 CO 0.14 -1.32 0.00 1.21 -3.04 0.00 0.00 177.10 174.09 3k1f n GLU 76 N -1.42 0.00 -3.55 0.43 4.07 -1.24 -4.93 120.64 114.00 3k1f n GLU 76 Ca 0.12 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.84 3k1f n GLU 76 Cb 0.51 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.78 3k1f n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k1f s PRO 78 N 1.71 1.66 0.65 0.00 0.04 -1.26 -4.87 135.00 132.92 3k1f s PRO 78 Ca 0.09 0.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 3k1f s PRO 78 Cb -0.16 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3k1f s PRO 78 CO 0.10 -1.79 1.06 0.20 0.04 0.00 0.00 177.00 176.60 3k1f s GLY 79 N -4.60 1.89 -0.10 0.56 0.00 -1.26 -5.03 107.32 98.79 3k1f s GLY 79 Ca 0.64 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3k1f s GLY 79 CO 0.50 0.55 -0.23 0.30 0.00 0.00 0.00 173.10 174.23 3k1f s HIS 80 N -2.75 2.58 0.75 1.90 0.09 -0.98 -4.93 115.29 111.96 3k1f s HIS 80 Ca 0.61 -0.94 -0.11 0.00 -0.00 0.00 0.00 55.06 54.62 3k1f s HIS 80 Cb -0.15 -1.71 0.04 0.00 -0.00 0.00 0.00 32.58 30.76 3k1f s HIS 80 CO 0.46 -0.36 1.08 -0.06 -0.00 0.00 0.00 174.74 175.87 3k1f s PHE 81 N 0.26 2.71 0.00 1.40 0.40 -1.26 -4.34 117.98 117.15 3k1f s PHE 81 Ca -0.16 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 3k1f s PHE 81 Cb -0.17 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.35 3k1f s PHE 81 CO 0.08 -1.65 0.00 0.41 0.70 0.00 0.00 175.22 174.75 3k1f n GLY 82 N -1.36 4.15 3.10 4.36 0.00 -0.07 -1.58 105.19 113.78 3k1f n GLY 82 Ca 0.09 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 3k1f n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3k1f s HIS 83 N -1.40 0.17 -0.11 1.61 -3.43 -1.22 -0.65 115.29 110.26 3k1f s HIS 83 Ca 0.00 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 3k1f s HIS 83 Cb 0.00 -0.13 0.02 0.00 -1.43 0.00 0.00 32.58 31.05 3k1f s HIS 83 CO 0.00 -0.32 -0.09 0.42 -2.00 0.00 0.00 174.74 172.74 3k1f s ILE 84 N -2.16 1.11 -0.69 -5.38 1.01 -0.38 -4.18 121.20 110.53 3k1f s ILE 84 Ca -0.09 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 3k1f s ILE 84 Cb -0.04 -1.09 0.10 0.00 0.01 0.00 0.00 42.46 41.44 3k1f s ILE 84 CO -0.03 0.38 0.89 -1.81 0.00 0.00 0.00 174.94 174.37 3k1f s ASP 85 N 1.47 6.28 0.05 3.58 1.01 -1.26 -0.92 116.67 126.88 3k1f s ASP 85 Ca 0.01 -1.40 -0.31 0.00 0.71 0.00 0.00 52.55 51.56 3k1f s ASP 85 Cb -0.13 -2.37 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 3k1f s ASP 85 CO -0.06 -1.23 1.38 -0.76 0.21 0.00 0.00 175.17 174.71 3k1f s LEU 86 N 3.18 4.34 0.51 1.23 1.43 -0.63 -4.92 118.68 123.82 3k1f s LEU 86 Ca 0.20 2.18 0.20 0.00 -1.03 0.00 0.00 54.13 55.68 3k1f s LEU 86 Cb -0.17 -3.57 1.28 0.00 0.03 0.00 0.00 46.19 43.75 3k1f s LEU 86 CO 0.05 -0.67 2.04 0.00 0.23 0.00 0.00 176.35 177.99 3k1f h ALA 87 N 7.36 2.25 -3.58 4.21 0.00 -1.88 -3.41 119.26 124.21 3k1f h ALA 87 Ca -0.40 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 3k1f h ALA 87 Cb 1.19 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.72 3k1f h ALA 87 CO 0.88 -0.35 -0.70 0.15 0.00 0.00 0.00 179.25 179.23 3k1f s LYS 88 N -5.12 0.07 0.69 0.00 -0.14 -1.26 -5.01 119.74 108.97 3k1f s LYS 88 Ca -0.06 -0.07 -0.14 0.00 -1.36 0.00 0.00 55.97 54.34 3k1f s LYS 88 Cb 0.19 0.03 0.02 0.00 -1.68 0.00 0.00 37.83 36.38 3k1f s LYS 88 CO 0.72 -0.01 1.11 -1.25 -0.76 0.00 0.00 175.35 175.16 3k1f s PRO 89 N -0.22 2.61 0.08 -1.68 0.04 -1.26 -4.96 135.00 129.60 3k1f s PRO 89 Ca -0.02 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.44 3k1f s PRO 89 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 3k1f s PRO 89 CO -0.00 -1.40 -0.13 0.14 0.04 0.00 0.00 177.00 175.65 3k1f s VAL 90 N -2.42 1.02 0.79 -0.36 -7.23 -0.49 -4.76 120.40 106.94 3k1f s VAL 90 Ca 0.66 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 3k1f s VAL 90 Cb -0.21 -1.09 0.07 0.00 0.56 0.00 0.00 36.38 35.72 3k1f s VAL 90 CO 0.45 -0.32 1.11 -0.36 -0.31 0.00 0.00 175.10 175.67 3k1f s PHE 91 N -1.56 2.35 -0.17 2.82 0.08 -1.26 -0.82 117.98 119.43 3k1f s PHE 91 Ca -0.01 1.61 -0.06 0.00 0.12 0.00 0.00 56.93 58.59 3k1f s PHE 91 Cb -0.08 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3k1f s PHE 91 CO 0.02 -2.05 0.04 -1.58 -0.10 0.00 0.00 175.22 171.55 3k1f s HIS 92 N -2.75 3.22 0.18 0.36 5.65 -1.21 -4.78 115.29 115.95 3k1f s HIS 92 Ca 0.64 0.03 -0.26 0.00 0.25 0.00 0.00 55.06 55.71 3k1f s HIS 92 Cb -0.19 -2.03 0.03 0.00 -1.18 0.00 0.00 32.58 29.21 3k1f s HIS 92 CO 0.54 0.16 1.55 -0.39 -0.65 0.00 0.00 174.74 175.96 3k1f h VAL 93 N 4.84 0.03 -0.53 0.89 -1.51 -1.93 -1.07 116.25 116.98 3k1f h VAL 93 Ca -0.37 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.00 3k1f h VAL 93 Cb 1.17 0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 3k1f h VAL 93 CO 0.68 0.00 -0.04 1.23 -1.23 0.00 0.00 177.57 178.21 3k1f h GLY 94 N -0.13 1.01 2.00 5.19 0.00 -1.96 -3.19 103.07 105.98 3k1f h GLY 94 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3k1f h GLY 94 CO -0.82 0.68 0.00 0.69 0.00 0.00 0.00 176.54 177.09 3k1f n PHE 95 N -4.18 0.21 -0.34 5.60 3.01 -0.81 -4.34 117.46 116.62 3k1f n PHE 95 Ca 0.02 0.06 -0.00 0.00 1.01 0.00 0.00 57.45 58.55 3k1f n PHE 95 Cb 0.35 -0.61 0.06 0.00 -0.01 0.00 0.00 39.48 39.27 3k1f n PHE 95 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3k1f h ILE 96 N 0.00 0.05 -0.29 4.37 2.10 -1.21 0.16 117.51 122.69 3k1f h ILE 96 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.83 3k1f h ILE 96 Cb 0.50 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 3k1f h ILE 96 CO 0.00 0.00 -0.25 0.00 -1.08 0.00 0.00 178.15 176.82 3k1f h ALA 97 N 1.45 0.42 -0.38 0.18 0.00 -1.85 -1.65 119.26 117.44 3k1f h ALA 97 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3k1f h ALA 97 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3k1f h ALA 97 CO -0.92 0.41 0.04 -0.22 0.00 0.00 0.00 179.25 178.55 3k1f h LYS 98 N 0.43 0.58 0.23 0.00 3.64 -1.50 0.26 116.57 120.21 3k1f h LYS 98 Ca 0.05 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3k1f h LYS 98 Cb 0.82 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3k1f h LYS 98 CO 0.06 0.57 -0.11 0.82 -2.27 0.00 0.00 179.45 178.53 3k1f h ILE 99 N 0.56 0.82 -0.23 2.00 2.04 -0.60 -0.76 117.51 121.35 3k1f h ILE 99 Ca 0.12 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3k1f h ILE 99 Cb 0.30 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3k1f h ILE 99 CO 0.01 0.06 -0.12 0.50 0.00 0.00 0.00 178.15 178.59 3k1f h LYS 100 N -0.43 -0.09 -0.30 2.37 3.64 -0.85 -0.52 116.57 120.38 3k1f h LYS 100 Ca -0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3k1f h LYS 100 Cb 0.33 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3k1f h LYS 100 CO 0.05 -0.06 0.02 0.87 -2.27 0.00 0.00 179.45 178.06 3k1f h LYS 101 N -0.10 0.11 -0.39 1.90 6.56 -0.87 -1.23 116.57 122.55 3k1f h LYS 101 Ca 0.12 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 3k1f h LYS 101 Cb 0.28 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.90 3k1f h LYS 101 CO -0.29 0.07 -0.04 0.28 -2.06 0.00 0.00 179.45 177.41 3k1f h VAL 102 N 0.11 1.23 -0.70 0.50 2.07 -0.79 -1.93 116.25 116.74 3k1f h VAL 102 Ca 0.14 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3k1f h VAL 102 Cb 0.18 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3k1f h VAL 102 CO -0.22 0.33 0.33 0.00 0.02 0.00 0.00 177.57 178.03 3k1f h GLU 104 N 1.00 0.00 0.00 0.00 5.08 -0.76 -3.26 114.58 116.63 3k1f h GLU 104 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 3k1f h GLU 104 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3k1f h GLU 104 CO -0.03 0.00 -1.30 0.00 -1.00 0.00 0.00 179.01 176.68 3k1f s VAL 106 N -2.81 1.76 0.25 0.00 1.01 -0.64 -0.84 120.40 119.14 3k1f s VAL 106 Ca -0.02 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 3k1f s VAL 106 Cb 0.08 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 3k1f s VAL 106 CO 0.81 0.18 1.17 0.00 0.00 0.00 0.00 175.10 177.26 3k1f s MET 108 N -1.02 3.36 0.00 0.00 -1.94 -1.26 -1.95 119.30 116.49 3k1f s MET 108 Ca 0.48 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.42 3k1f s MET 108 Cb -0.33 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.46 3k1f s MET 108 CO 0.41 -0.76 0.00 1.58 -0.01 0.00 0.00 175.02 176.24 3k1f n HIS 109 N -2.52 0.00 -0.07 -0.03 -0.00 -1.26 -4.40 115.22 106.94 3k1f n HIS 109 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.63 3k1f n HIS 109 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.39 3k1f n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1f n GLY 111 N 2.01 0.40 3.80 0.00 0.00 -0.82 -4.87 105.19 105.70 3k1f n GLY 111 Ca -0.36 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3k1f n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1f s LYS 112 N -2.92 2.96 0.24 1.61 2.20 -1.25 -3.59 119.74 118.99 3k1f s LYS 112 Ca 0.00 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 3k1f s LYS 112 Cb 0.00 -2.75 -0.13 0.00 -1.51 0.00 0.00 37.83 33.43 3k1f s LYS 112 CO 0.00 0.56 1.39 -0.11 -0.36 0.00 0.00 175.35 176.83 3k1f n LEU 113 N 0.28 3.02 0.25 5.43 0.00 -1.26 -0.60 117.00 124.13 3k1f n LEU 113 Ca -0.08 1.14 0.17 0.00 0.00 0.00 0.00 56.01 57.24 3k1f n LEU 113 Cb 0.52 -1.42 0.77 0.00 0.00 0.00 0.00 43.42 43.30 3k1f n LEU 113 CO 0.45 -0.54 1.00 -0.07 0.00 0.00 0.00 177.39 178.23 3k1f h LEU 114 N 4.14 0.00 -8.52 -1.96 3.38 -1.30 -3.43 115.31 107.61 3k1f h LEU 114 Ca -0.45 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.93 3k1f h LEU 114 Cb 1.28 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 3k1f h LEU 114 CO 0.75 0.00 -0.85 -0.76 0.09 0.00 0.00 178.44 177.67 3k1f s LEU 115 N -5.68 2.13 0.34 1.67 1.43 -1.26 -4.70 118.68 112.60 3k1f s LEU 115 Ca -0.00 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3k1f s LEU 115 Cb 0.10 -1.02 -0.07 0.00 0.03 0.00 0.00 46.19 45.23 3k1f s LEU 115 CO 0.45 0.19 -0.07 -0.62 0.23 0.00 0.00 176.35 176.54 3k1f s ASP 116 N -0.97 3.46 0.40 2.29 2.15 -1.26 -5.04 116.67 117.70 3k1f s ASP 116 Ca 0.08 -1.23 0.19 0.00 0.43 0.00 0.00 52.55 52.02 3k1f s ASP 116 Cb -0.09 -0.30 1.13 0.00 -0.30 0.00 0.00 42.92 43.36 3k1f s ASP 116 CO 0.01 -0.29 1.77 -0.33 -0.17 0.00 0.00 175.17 176.16 3k1f h GLU 117 N 2.05 0.36 -0.70 4.34 3.07 -2.01 -2.68 114.58 119.02 3k1f h GLU 117 Ca -0.42 -0.02 0.20 0.00 -0.50 0.00 0.00 59.36 58.62 3k1f h GLU 117 Cb 1.24 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 3k1f h GLU 117 CO 0.71 0.24 0.75 0.45 -1.40 0.00 0.00 179.01 179.76 3k1f h HIS 118 N 0.37 0.00 -3.42 4.33 3.86 -1.99 -3.39 115.15 114.92 3k1f h HIS 118 Ca 0.60 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.26 3k1f h HIS 118 Cb 1.55 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.98 3k1f h HIS 118 CO -0.00 0.00 0.18 1.21 0.86 0.00 0.00 177.93 180.17 3k1f s ASN 119 N -4.61 7.20 0.14 2.45 3.84 -1.01 -4.99 114.94 117.96 3k1f s ASN 119 Ca -0.04 1.44 -0.16 0.00 0.21 0.00 0.00 52.86 54.31 3k1f s ASN 119 Cb 0.16 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 3k1f s ASN 119 CO 0.54 -0.04 1.73 -0.08 -2.79 0.00 0.00 177.10 176.46 3k1f h GLU 120 N 5.97 0.59 0.00 0.43 4.57 -1.91 -1.28 114.58 122.94 3k1f h GLU 120 Ca -0.43 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 57.60 3k1f h GLU 120 Cb 1.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3k1f h GLU 120 CO 0.72 0.50 -0.34 -0.07 -1.18 0.00 0.00 179.01 178.64 3k1f h LEU 121 N 0.53 0.00 -0.22 1.64 3.38 -1.94 -1.58 115.31 117.12 3k1f h LEU 121 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3k1f h LEU 121 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1f h LEU 121 CO -0.02 0.34 -0.69 -0.03 0.09 0.00 0.00 178.44 178.13 3k1f h MET 122 N 0.00 0.83 -0.27 1.13 4.05 -1.81 -1.88 114.93 116.98 3k1f h MET 122 Ca -0.00 -0.61 -0.00 0.00 -0.28 0.00 0.00 59.70 58.80 3k1f h MET 122 Cb 0.73 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 3k1f h MET 122 CO 0.04 1.23 0.15 0.00 0.23 0.00 0.00 176.91 178.57 3k1f h ARG 123 N 0.59 0.37 -0.66 0.39 3.08 -0.92 0.93 114.38 118.16 3k1f h ARG 123 Ca -0.03 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3k1f h ARG 123 Cb 1.31 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 3k1f h ARG 123 CO 0.15 0.30 0.44 0.37 -1.07 0.00 0.00 179.97 180.16 3k1f h GLN 124 N 0.33 0.62 0.09 0.04 4.15 -1.27 -2.75 115.11 116.31 3k1f h GLN 124 Ca 0.09 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 3k1f h GLN 124 Cb 0.04 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3k1f h GLN 124 CO -0.02 0.41 -0.04 0.00 -1.93 0.00 0.00 178.83 177.25 3k1f h ALA 125 N 1.65 -0.12 0.00 3.38 0.00 -0.81 -3.32 119.26 120.04 3k1f h ALA 125 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k1f h ALA 125 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k1f h ALA 125 CO -0.09 -0.17 0.14 1.28 0.00 0.00 0.00 179.25 180.40 3k1f n LEU 126 N -4.82 0.42 -0.06 0.00 4.77 0.28 -1.42 117.00 116.17 3k1f n LEU 126 Ca -0.07 0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 56.50 3k1f n LEU 126 Cb 0.28 -0.65 0.15 0.00 -2.33 0.00 0.00 43.42 40.86 3k1f n LEU 126 CO 0.24 -0.79 0.77 0.00 -1.33 0.00 0.00 177.39 176.28 3k1f h ALA 127 N 1.62 1.02 -2.64 -1.18 0.00 -1.59 -3.43 119.26 113.06 3k1f h ALA 127 Ca 0.00 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 3k1f h ALA 127 Cb 0.28 -0.15 0.05 0.00 0.00 0.00 0.00 17.79 17.96 3k1f h ALA 127 CO 0.00 0.59 0.84 0.42 0.00 0.00 0.00 179.25 181.10 3k1f s ILE 128 N -4.68 2.67 -1.51 0.00 1.01 -0.50 -4.92 121.20 113.26 3k1f s ILE 128 Ca -0.09 0.50 0.12 0.00 0.00 0.00 0.00 60.65 61.18 3k1f s ILE 128 Cb 0.14 -3.32 0.11 0.00 0.01 0.00 0.00 42.46 39.40 3k1f s ILE 128 CO 0.81 0.05 0.91 0.29 0.00 0.00 0.00 174.94 177.00 3k1f n LYS 129 N 3.56 0.83 -2.66 2.79 5.02 -1.26 -4.77 118.16 121.67 3k1f n LYS 129 Ca 0.12 -1.28 -0.43 0.00 -2.02 0.00 0.00 58.31 54.70 3k1f n LYS 129 Cb 0.39 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3k1f n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k1f s ASP 130 N -1.02 6.51 0.26 4.39 2.15 -1.26 -4.94 116.67 122.75 3k1f s ASP 130 Ca 0.15 0.18 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 3k1f s ASP 130 Cb 0.10 -2.52 0.37 0.00 -0.30 0.00 0.00 42.92 40.58 3k1f s ASP 130 CO 0.15 -1.31 1.57 0.28 -0.17 0.00 0.00 175.17 175.70 3k1f h SER 131 N 9.34 -0.93 0.43 -0.34 0.02 -1.95 0.58 113.55 120.68 3k1f h SER 131 Ca -0.24 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3k1f h SER 131 Cb 1.06 0.59 0.00 0.00 0.14 0.00 0.00 62.40 64.20 3k1f h SER 131 CO 1.13 -0.30 -0.21 0.11 -1.14 0.00 0.00 176.83 176.42 3k1f h LYS 132 N -0.01 -0.56 -0.31 3.45 1.79 -1.92 -1.83 116.57 117.18 3k1f h LYS 132 Ca 0.42 0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.78 3k1f h LYS 132 Cb 0.65 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 3k1f h LYS 132 CO -0.93 -0.36 -0.38 0.87 -1.08 0.00 0.00 179.45 177.57 3k1f h LYS 133 N -0.59 0.73 0.08 3.15 6.56 -1.87 -2.31 116.57 122.31 3k1f h LYS 133 Ca -0.06 -0.37 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3k1f h LYS 133 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 3k1f h LYS 133 CO 0.10 0.98 -0.04 -0.09 -2.06 0.00 0.00 179.45 178.34 3k1f h ARG 134 N 0.60 -0.11 -0.51 3.15 2.43 -0.89 -1.13 114.38 117.93 3k1f h ARG 134 Ca 0.05 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3k1f h ARG 134 Cb 0.92 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3k1f h ARG 134 CO 0.08 -0.04 -0.05 0.35 -1.51 0.00 0.00 179.97 178.81 3k1f h PHE 135 N -0.15 0.96 -0.63 2.20 3.57 -1.36 -0.92 116.94 120.60 3k1f h PHE 135 Ca -0.01 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3k1f h PHE 135 Cb 0.12 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3k1f h PHE 135 CO -0.06 0.89 0.40 0.00 -2.23 0.00 0.00 178.31 177.31 3k1f h ALA 136 N 1.13 1.52 0.02 2.41 0.00 -1.23 -0.92 119.26 122.18 3k1f h ALA 136 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k1f h ALA 136 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k1f h ALA 136 CO 0.03 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3k1f h ALA 137 N 1.58 -0.02 -0.73 0.00 0.00 -0.90 -3.15 119.26 116.04 3k1f h ALA 137 Ca 0.23 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3k1f h ALA 137 Cb -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3k1f h ALA 137 CO -0.05 -0.15 0.40 0.82 0.00 0.00 0.00 179.25 180.27 3k1f h ILE 138 N -0.75 0.92 -0.17 0.00 5.03 -0.93 -1.33 117.51 120.28 3k1f h ILE 138 Ca -0.00 -0.24 -0.04 0.00 -0.12 0.00 0.00 64.86 64.46 3k1f h ILE 138 Cb 0.69 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 3k1f h ILE 138 CO 0.00 0.13 -0.05 -0.25 -0.68 0.00 0.00 178.15 177.30 3k1f h TRP 139 N 0.70 0.38 -0.38 1.37 7.01 -1.30 -0.83 115.95 122.90 3k1f h TRP 139 Ca 0.34 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.28 3k1f h TRP 139 Cb 0.28 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3k1f h TRP 139 CO -0.08 0.62 0.26 1.79 -2.79 0.00 0.00 178.44 178.23 3k1f h THR 140 N 0.03 1.05 0.08 2.65 1.35 -1.47 -2.20 112.91 114.41 3k1f h THR 140 Ca 0.04 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3k1f h THR 140 Cb 0.50 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3k1f h THR 140 CO 0.02 0.08 -0.04 -0.07 -0.25 0.00 0.00 175.52 175.26 3k1f h LEU 141 N 0.44 -0.10 -3.89 3.87 4.07 -1.07 -3.38 115.31 115.26 3k1f h LEU 141 Ca 0.15 -0.49 -0.49 0.00 0.08 0.00 0.00 57.88 57.13 3k1f h LEU 141 Cb 0.06 0.02 -0.29 0.00 1.08 0.00 0.00 40.66 41.53 3k1f h LEU 141 CO -0.03 0.56 0.63 0.00 -1.08 0.00 0.00 178.44 178.51 3k1f n LYS 143 N -1.05 0.59 -0.02 0.00 2.85 -0.83 -4.06 118.16 115.63 3k1f n LYS 143 Ca 0.57 0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 57.71 3k1f n LYS 143 Cb 1.60 -1.74 -0.13 0.00 -0.65 0.00 0.00 35.03 34.11 3k1f n LYS 143 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3k1f h THR 144 N 0.00 1.62 -2.64 0.58 2.02 -1.82 -3.44 112.91 109.23 3k1f h THR 144 Ca 0.00 -2.20 -0.55 0.00 0.77 0.00 0.00 66.41 64.44 3k1f h THR 144 Cb 0.97 3.06 -0.00 0.00 -1.74 0.00 0.00 68.15 70.44 3k1f h THR 144 CO 0.00 0.60 1.06 -0.54 0.37 0.00 0.00 175.52 177.01 3k1f s LYS 145 N -2.70 4.19 -0.15 6.66 -0.14 -1.26 -4.91 119.74 121.43 3k1f s LYS 145 Ca -0.16 2.19 0.18 0.00 -1.36 0.00 0.00 55.97 56.82 3k1f s LYS 145 Cb -0.00 -3.91 0.44 0.00 -1.68 0.00 0.00 37.83 32.68 3k1f s LYS 145 CO 0.74 -0.81 1.18 -1.33 -0.76 0.00 0.00 175.35 174.37 3k1f n MET 146 N 6.82 1.29 -3.59 1.68 2.81 -1.26 -4.97 117.12 119.91 3k1f n MET 146 Ca 0.17 -2.97 -0.08 0.00 -1.81 0.00 0.00 57.70 53.01 3k1f n MET 146 Cb 0.43 -1.10 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 3k1f n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3k1f s VAL 147 N -2.30 -0.68 -0.47 2.03 1.01 -1.26 -0.54 120.40 118.19 3k1f s VAL 147 Ca 0.36 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 3k1f s VAL 147 Cb 0.37 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3k1f s VAL 147 CO -0.09 0.03 1.90 0.00 0.00 0.00 0.00 175.10 176.95 3k1f s GLU 149 N 6.57 4.37 -0.17 0.00 2.02 -1.26 -3.73 118.70 126.49 3k1f s GLU 149 Ca 0.77 1.77 -0.10 0.00 0.02 0.00 0.00 54.97 57.42 3k1f s GLU 149 Cb -0.18 -3.48 -0.22 0.00 0.10 0.00 0.00 34.13 30.35 3k1f s GLU 149 CO 0.27 -0.40 0.19 2.41 0.02 0.00 0.00 175.26 177.75 3k1f n THR 150 N 4.37 1.66 -3.41 3.63 -1.04 -1.26 -4.50 114.28 113.73 3k1f n THR 150 Ca 0.11 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 3k1f n THR 150 Cb 0.46 -1.80 -0.09 0.00 -1.82 0.00 0.00 70.33 67.08 3k1f n THR 150 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3k1f s ASP 151 N -6.97 6.18 -0.07 8.00 -4.77 -1.26 -1.16 116.67 116.62 3k1f s ASP 151 Ca -0.27 -0.20 0.03 0.00 -3.30 0.00 0.00 52.55 48.81 3k1f s ASP 151 Cb 0.07 -2.19 0.01 0.00 -1.09 0.00 0.00 42.92 39.72 3k1f s ASP 151 CO 0.68 -0.32 -0.14 -0.69 0.70 0.00 0.00 175.17 175.39 3k1f s VAL 152 N 2.01 1.31 0.21 2.11 1.01 -0.22 -4.91 120.40 121.92 3k1f s VAL 152 Ca 0.12 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.20 3k1f s VAL 152 Cb -0.16 -1.17 -0.12 0.00 0.00 0.00 0.00 36.38 34.92 3k1f s VAL 152 CO 0.11 0.39 1.69 -0.81 0.00 0.00 0.00 175.10 176.49 3k1f n PRO 153 N 3.74 2.71 -0.83 2.72 -0.04 -1.26 -0.97 135.00 141.07 3k1f n PRO 153 Ca -0.22 0.97 -0.31 0.00 -0.04 0.00 0.00 63.50 63.91 3k1f n PRO 153 Cb 0.52 -2.81 0.16 0.00 -0.04 0.00 0.00 33.50 31.33 3k1f n PRO 153 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k1f s SER 154 N 1.06 3.06 0.00 3.54 1.04 -1.04 -4.87 113.70 116.50 3k1f s SER 154 Ca 0.74 1.99 0.17 0.00 0.48 0.00 0.00 55.95 59.33 3k1f s SER 154 Cb -0.52 -2.50 0.91 0.00 0.10 0.00 0.00 66.02 64.01 3k1f s SER 154 CO 0.35 -2.98 1.50 -0.62 0.98 0.00 0.00 173.24 172.47 3k1f n GLU 155 N -4.14 0.31 0.00 4.02 4.71 -1.26 -4.18 120.64 120.09 3k1f n GLU 155 Ca 0.10 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 3k1f n GLU 155 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 3k1f n GLU 155 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3k1f n ASP 156 N -1.23 0.00 -4.59 1.62 10.43 -1.26 -5.03 116.55 116.49 3k1f n ASP 156 Ca 0.09 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.11 3k1f n ASP 156 Cb 0.12 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.97 3k1f n ASP 156 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 3k1f s ASP 157 N -1.00 4.67 0.00 -2.24 -4.77 -1.26 -5.03 116.67 107.05 3k1f s ASP 157 Ca 0.00 -0.03 0.06 0.00 -3.30 0.00 0.00 52.55 49.28 3k1f s ASP 157 Cb 0.00 -1.17 0.27 0.00 -1.09 0.00 0.00 42.92 40.92 3k1f s ASP 157 CO 0.00 0.36 1.07 -2.65 0.70 0.00 0.00 175.17 174.65 3k1f n PRO 158 N 2.15 0.05 0.29 2.11 -0.02 -1.26 -2.51 135.00 135.81 3k1f n PRO 158 Ca -0.18 0.29 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 3k1f n PRO 158 Cb 0.53 -1.50 0.83 0.00 -0.02 0.00 0.00 33.50 33.34 3k1f n PRO 158 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3k1f h THR 159 N 0.00 0.00 -3.51 3.45 2.02 -1.95 -3.37 112.91 109.55 3k1f h THR 159 Ca 0.00 -0.35 -0.69 0.00 0.77 0.00 0.00 66.41 66.15 3k1f h THR 159 Cb 0.07 1.33 -0.36 0.00 -1.74 0.00 0.00 68.15 67.44 3k1f h THR 159 CO 0.00 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.49 3k1f s GLN 160 N -3.79 2.50 -0.04 6.66 -2.07 -1.04 -5.09 119.66 116.79 3k1f s GLN 160 Ca -0.01 -2.60 -0.28 0.00 -1.82 0.00 0.00 55.36 50.65 3k1f s GLN 160 Cb 0.10 -3.67 -0.03 0.00 -1.09 0.00 0.00 33.01 28.32 3k1f s GLN 160 CO 0.49 -1.17 0.91 -0.51 -1.32 0.00 0.00 175.29 173.69 3k1f s LEU 161 N -0.20 4.33 0.01 2.60 1.02 -1.26 -2.48 118.68 122.69 3k1f s LEU 161 Ca 0.18 1.50 0.02 0.00 0.02 0.00 0.00 54.13 55.84 3k1f s LEU 161 Cb -0.21 -3.43 -0.04 0.00 0.02 0.00 0.00 46.19 42.54 3k1f s LEU 161 CO -0.03 -0.26 0.01 -0.69 0.02 0.00 0.00 176.35 175.40 3k1f s VAL 162 N 1.17 4.19 -0.82 -1.59 1.01 -0.14 -4.79 120.40 119.43 3k1f s VAL 162 Ca 0.47 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3k1f s VAL 162 Cb -0.20 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3k1f s VAL 162 CO 0.23 0.35 1.52 -0.94 0.00 0.00 0.00 175.10 176.27 3k1f s SER 163 N -1.64 5.96 0.24 3.32 1.04 -1.25 -1.05 113.70 120.32 3k1f s SER 163 Ca 0.20 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.97 3k1f s SER 163 Cb -0.12 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.71 3k1f s SER 163 CO 0.11 -1.96 1.76 0.08 0.98 0.00 0.00 173.24 174.21 3k1f h ARG 164 N 11.04 0.94 0.00 4.02 0.11 -1.44 -3.48 114.38 125.56 3k1f h ARG 164 Ca -0.09 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3k1f h ARG 164 Cb 1.05 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.01 3k1f h ARG 164 CO 1.30 0.87 0.00 0.41 0.10 0.00 0.00 179.97 182.65 3k1f n GLY 165 N -0.70 4.13 3.53 0.08 0.00 -1.25 -5.12 105.19 105.86 3k1f n GLY 165 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 3k1f n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1f s GLY 166 N 0.00 2.46 0.02 -0.02 0.00 -1.26 -4.75 107.32 103.77 3k1f s GLY 166 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 3k1f s GLY 166 CO 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 173.10 171.22 3k1f n GLY 168 N 1.92 2.13 3.77 0.00 0.00 -1.24 -4.46 105.19 107.30 3k1f n GLY 168 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3k1f n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1f s ASN 169 N 0.14 6.51 0.29 1.61 -0.87 -1.26 -4.66 114.94 116.69 3k1f s ASN 169 Ca 0.12 2.73 -0.29 0.00 -1.57 0.00 0.00 52.86 53.85 3k1f s ASN 169 Cb 0.09 -2.65 -0.09 0.00 -0.02 0.00 0.00 41.25 38.58 3k1f s ASN 169 CO 0.03 -0.72 1.05 -0.89 -2.57 0.00 0.00 177.10 174.00 3k1f s THR 170 N -1.19 3.66 -0.06 1.60 2.01 -1.26 -1.93 115.64 118.47 3k1f s THR 170 Ca 0.53 1.61 -0.05 0.00 0.31 0.00 0.00 61.69 64.09 3k1f s THR 170 Cb -0.40 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3k1f s THR 170 CO 0.53 0.34 0.18 -1.10 -0.69 0.00 0.00 174.62 173.88 3k1f s GLN 171 N -1.54 3.47 0.36 4.92 -1.52 0.29 -4.94 119.66 120.71 3k1f s GLN 171 Ca 0.45 -0.19 -0.11 0.00 -1.95 0.00 0.00 55.36 53.57 3k1f s GLN 171 Cb -0.29 -3.14 -0.07 0.00 -0.22 0.00 0.00 33.01 29.29 3k1f s GLN 171 CO 0.37 0.72 0.73 -1.25 -0.25 0.00 0.00 175.29 175.61 3k1f s PRO 172 N -1.47 3.83 -0.89 2.91 0.04 -1.26 -4.77 135.00 133.39 3k1f s PRO 172 Ca 0.21 0.47 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 3k1f s PRO 172 Cb -0.12 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.04 3k1f s PRO 172 CO 0.11 0.06 1.28 -0.08 0.04 0.00 0.00 177.00 178.42 3k1f s THR 173 N -2.20 4.09 0.08 1.26 -1.32 -0.71 -4.65 115.64 112.19 3k1f s THR 173 Ca 0.51 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 3k1f s THR 173 Cb -0.10 -4.92 -0.06 0.00 -1.51 0.00 0.00 72.50 65.91 3k1f s THR 173 CO 0.27 -1.77 1.13 -0.63 -2.21 0.00 0.00 174.62 171.40 3k1f s ILE 174 N 4.57 4.15 0.01 5.08 1.01 -1.26 -3.17 121.20 131.60 3k1f s ILE 174 Ca 0.38 1.62 -0.00 0.00 0.00 0.00 0.00 60.65 62.64 3k1f s ILE 174 Cb -0.05 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3k1f s ILE 174 CO -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 174.94 175.08 3k1f s ARG 175 N 0.65 0.25 0.68 2.79 1.70 -0.06 -4.98 118.95 119.98 3k1f s ARG 175 Ca 0.55 -0.46 -0.12 0.00 -0.47 0.00 0.00 55.73 55.23 3k1f s ARG 175 Cb -0.28 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 3k1f s ARG 175 CO 0.30 -0.04 1.06 0.21 -1.08 0.00 0.00 175.30 175.75 3k1f s LYS 176 N -1.14 3.00 -0.48 3.89 2.20 -1.26 -1.28 119.74 124.67 3k1f s LYS 176 Ca -0.12 0.99 0.07 0.00 -0.36 0.00 0.00 55.97 56.55 3k1f s LYS 176 Cb -0.08 -2.00 0.19 0.00 -1.51 0.00 0.00 37.83 34.43 3k1f s LYS 176 CO -0.01 -1.05 0.67 0.34 -0.36 0.00 0.00 175.35 174.94 3k1f s ASP 177 N -3.64 -1.18 0.00 1.43 -1.08 -0.28 -4.85 116.67 107.08 3k1f s ASP 177 Ca 0.59 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 3k1f s ASP 177 Cb -0.14 1.70 0.00 0.00 -1.46 0.00 0.00 42.92 43.02 3k1f s ASP 177 CO 0.52 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.73 3k1f n GLY 178 N 3.29 0.26 0.01 2.66 0.00 -1.26 -0.78 105.19 109.37 3k1f n GLY 178 Ca 0.17 0.42 0.10 0.00 0.00 0.00 0.00 46.02 46.71 3k1f n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 179 N 0.00 0.03 -4.51 0.99 4.77 -1.26 -4.96 117.00 112.06 3k1f n LEU 179 Ca 0.00 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 3k1f n LEU 179 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3k1f n LEU 179 CO 0.00 0.01 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.09 3k1f s LYS 180 N -3.35 1.76 -0.01 3.23 -0.14 0.04 -4.93 119.74 116.35 3k1f s LYS 180 Ca -0.07 -1.81 0.04 0.00 -1.36 0.00 0.00 55.97 52.77 3k1f s LYS 180 Cb 0.13 -1.77 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 3k1f s LYS 180 CO 0.82 0.26 -0.09 -0.51 -0.76 0.00 0.00 175.35 175.07 3k1f s LEU 181 N -3.55 3.04 -0.03 3.17 1.43 -1.26 -1.12 118.68 120.35 3k1f s LEU 181 Ca 0.31 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3k1f s LEU 181 Cb -0.03 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3k1f s LEU 181 CO 0.16 0.30 -0.09 -0.69 0.23 0.00 0.00 176.35 176.25 3k1f s VAL 182 N -0.93 0.82 0.27 -1.59 1.01 -0.41 -0.87 120.40 118.71 3k1f s VAL 182 Ca 0.15 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3k1f s VAL 182 Cb -0.11 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 3k1f s VAL 182 CO 0.06 0.26 -0.07 -0.83 0.00 0.00 0.00 175.10 174.52 3k1f s GLY 183 N 0.28 1.79 -0.05 4.51 0.00 -0.49 -0.88 107.32 112.47 3k1f s GLY 183 Ca -0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 44.72 42.76 3k1f s GLY 183 CO 0.01 -1.83 0.12 -1.35 0.00 0.00 0.00 173.10 170.05 3k1f s SER 184 N -3.43 -0.11 0.07 1.64 1.04 -1.19 -1.06 113.70 110.66 3k1f s SER 184 Ca 0.29 0.24 0.06 0.00 0.48 0.00 0.00 55.95 57.02 3k1f s SER 184 Cb 0.03 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3k1f s SER 184 CO 0.11 -0.08 -0.10 0.26 0.98 0.00 0.00 173.24 174.41 3k1f s TRP 185 N 0.48 2.76 0.14 5.02 0.51 -1.24 -1.74 118.94 124.87 3k1f s TRP 185 Ca -0.03 -0.14 -0.00 0.00 -2.12 0.00 0.00 56.10 53.81 3k1f s TRP 185 Cb -0.05 -1.49 -0.04 0.00 -0.81 0.00 0.00 33.47 31.08 3k1f s TRP 185 CO -0.02 0.39 0.04 0.15 -0.51 0.00 0.00 176.95 177.00 3k1f s LYS 186 N -1.89 0.97 0.24 4.98 1.02 -1.26 -1.20 119.74 122.60 3k1f s LYS 186 Ca 0.19 -1.46 -0.27 0.00 0.02 0.00 0.00 55.97 54.45 3k1f s LYS 186 Cb -0.11 0.13 -0.16 0.00 -0.52 0.00 0.00 37.83 37.17 3k1f s LYS 186 CO 0.11 -0.23 0.60 -0.25 -0.92 0.00 0.00 175.35 174.65 3k1f n ASP 195 N -0.13 -0.80 -1.08 2.83 8.00 -1.26 -5.04 116.55 119.07 3k1f n ASP 195 Ca -0.06 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.56 3k1f n ASP 195 Cb 0.64 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3k1f n ASP 195 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k1f n GLU 196 N 0.94 -2.78 -3.19 -1.24 -0.58 -1.26 -5.01 120.64 107.53 3k1f n GLU 196 Ca 0.16 2.07 -0.39 0.00 -0.42 0.00 0.00 57.16 58.58 3k1f n GLU 196 Cb 0.28 -2.18 -0.06 0.00 -0.57 0.00 0.00 31.44 28.91 3k1f n GLU 196 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k1f s PRO 197 N -2.63 4.34 -1.15 3.49 0.04 -1.26 -4.99 135.00 132.84 3k1f s PRO 197 Ca 0.00 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.57 3k1f s PRO 197 Cb 0.00 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 3k1f s PRO 197 CO 0.00 0.32 1.91 -1.91 0.04 0.00 0.00 177.00 177.37 3k1f n GLU 198 N 2.88 1.81 -2.27 4.56 2.13 -0.34 -4.86 120.64 124.56 3k1f n GLU 198 Ca -0.06 -2.49 -0.41 0.00 0.66 0.00 0.00 57.16 54.86 3k1f n GLU 198 Cb 0.51 -3.58 -0.03 0.00 0.27 0.00 0.00 31.44 28.61 3k1f n GLU 198 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3k1f s LEU 199 N 8.61 3.36 0.09 4.31 1.02 -1.26 -3.71 118.68 131.10 3k1f s LEU 199 Ca 0.65 0.34 0.07 0.00 0.02 0.00 0.00 54.13 55.21 3k1f s LEU 199 Cb 0.02 -2.91 -0.03 0.00 0.02 0.00 0.00 46.19 43.29 3k1f s LEU 199 CO 0.12 -1.90 -0.19 0.00 0.02 0.00 0.00 176.35 174.40 3k1f s ARG 200 N 5.97 1.05 0.09 1.70 1.70 -0.22 -4.98 118.95 124.25 3k1f s ARG 200 Ca 0.58 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 3k1f s ARG 200 Cb -0.12 -1.22 -0.05 0.00 -0.57 0.00 0.00 34.95 32.98 3k1f s ARG 200 CO 0.24 0.28 0.99 0.08 -1.08 0.00 0.00 175.30 175.81 3k1f s VAL 201 N -1.16 4.53 -0.33 4.99 1.01 -1.26 -1.40 120.40 126.79 3k1f s VAL 201 Ca 0.04 2.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 3k1f s VAL 201 Cb -0.10 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3k1f s VAL 201 CO 0.03 0.27 0.33 -0.76 0.00 0.00 0.00 175.10 174.97 3k1f s LEU 202 N 0.27 4.37 0.29 3.92 1.43 -0.05 -4.96 118.68 123.95 3k1f s LEU 202 Ca 0.49 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 3k1f s LEU 202 Cb -0.23 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 3k1f s LEU 202 CO 0.30 -0.28 0.75 -0.94 0.23 0.00 0.00 176.35 176.40 3k1f s SER 203 N 1.72 6.90 0.26 2.29 1.04 -1.26 -4.32 113.70 120.33 3k1f s SER 203 Ca 0.11 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 57.88 3k1f s SER 203 Cb -0.17 -2.40 0.52 0.00 0.10 0.00 0.00 66.02 64.08 3k1f s SER 203 CO 0.11 -0.12 1.72 0.71 0.98 0.00 0.00 173.24 176.64 3k1f h THR 204 N 2.27 0.60 0.28 2.02 1.35 -1.98 -1.51 112.91 115.95 3k1f h THR 204 Ca -0.48 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3k1f h THR 204 Cb 1.18 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3k1f h THR 204 CO 0.65 0.08 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.53 3k1f h GLU 205 N 0.43 -0.37 0.03 4.72 3.07 -1.95 -0.75 114.58 119.77 3k1f h GLU 205 Ca 0.45 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.36 3k1f h GLU 205 Cb 0.73 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.67 3k1f h GLU 205 CO -0.44 -0.22 -0.52 1.49 -1.40 0.00 0.00 179.01 177.92 3k1f h GLU 206 N -0.42 -0.66 -0.81 2.33 4.81 -1.84 -1.22 114.58 116.77 3k1f h GLU 206 Ca -0.04 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3k1f h GLU 206 Cb 0.32 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 3k1f h GLU 206 CO 0.06 -0.44 0.45 0.82 -0.73 0.00 0.00 179.01 179.18 3k1f h ILE 207 N -0.68 0.89 0.18 2.32 1.08 -1.25 -1.91 117.51 118.13 3k1f h ILE 207 Ca 0.01 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3k1f h ILE 207 Cb 0.73 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3k1f h ILE 207 CO -0.34 0.14 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.11 3k1f h LEU 208 N 0.75 -0.20 -0.94 1.44 3.38 -0.54 -0.95 115.31 118.24 3k1f h LEU 208 Ca 0.39 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.38 3k1f h LEU 208 Cb 0.38 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3k1f h LEU 208 CO -0.25 -0.14 0.62 0.78 0.09 0.00 0.00 178.44 179.54 3k1f h ASN 209 N -0.25 1.07 -0.71 -0.43 2.35 -0.84 0.10 115.58 116.86 3k1f h ASN 209 Ca -0.02 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3k1f h ASN 209 Cb 0.19 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3k1f h ASN 209 CO 0.04 0.76 0.25 0.40 -1.65 0.00 0.00 177.43 177.23 3k1f h ILE 210 N 1.25 1.25 -0.44 2.81 2.04 -1.22 -1.65 117.51 121.55 3k1f h ILE 210 Ca 0.36 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 3k1f h ILE 210 Cb -0.10 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3k1f h ILE 210 CO -0.09 0.33 0.01 -0.26 0.00 0.00 0.00 178.15 178.14 3k1f h PHE 211 N 1.04 0.83 -0.81 1.37 -1.00 -0.26 -2.72 116.94 115.40 3k1f h PHE 211 Ca 0.23 -0.14 0.05 0.00 2.81 0.00 0.00 57.97 60.92 3k1f h PHE 211 Cb 0.26 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 3k1f h PHE 211 CO 0.02 0.82 0.53 0.87 -1.61 0.00 0.00 178.31 178.94 3k1f h LYS 212 N 0.61 0.91 0.00 1.51 1.57 -0.71 -1.68 116.57 118.78 3k1f h LYS 212 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k1f h LYS 212 Cb 0.48 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3k1f h LYS 212 CO 0.02 0.60 0.00 0.72 -0.57 0.00 0.00 179.45 180.22 3k1f n HIS 213 N -4.47 0.00 -2.28 -1.35 8.25 -0.63 -4.85 115.22 109.89 3k1f n HIS 213 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3k1f n HIS 213 Cb 0.17 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 3k1f n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1f s ILE 214 N -2.77 3.71 0.43 1.59 1.01 -0.63 -4.67 121.20 119.88 3k1f s ILE 214 Ca 0.16 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 61.75 3k1f s ILE 214 Cb 0.15 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 3k1f s ILE 214 CO 0.37 0.05 1.19 -0.94 0.00 0.00 0.00 174.94 175.61 3k1f s SER 215 N 1.40 6.29 0.34 3.58 1.04 -1.26 -4.80 113.70 120.29 3k1f s SER 215 Ca 0.62 2.38 0.09 0.00 0.48 0.00 0.00 55.95 59.52 3k1f s SER 215 Cb -0.32 -2.61 0.82 0.00 0.10 0.00 0.00 66.02 64.00 3k1f s SER 215 CO 0.28 -0.84 1.84 0.58 0.98 0.00 0.00 173.24 176.08 3k1f h VAL 216 N 2.10 0.78 -0.06 5.02 2.07 -1.98 0.71 116.25 124.90 3k1f h VAL 216 Ca -0.49 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3k1f h VAL 216 Cb 1.24 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3k1f h VAL 216 CO 0.61 0.13 -0.26 0.11 0.02 0.00 0.00 177.57 178.18 3k1f h LYS 217 N 0.70 -0.35 -0.16 1.57 1.57 -2.00 -1.24 116.57 116.65 3k1f h LYS 217 Ca 0.50 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3k1f h LYS 217 Cb 0.83 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3k1f h LYS 217 CO -0.25 -0.23 0.08 -0.44 -0.57 0.00 0.00 179.45 178.04 3k1f h ASP 218 N -0.36 0.21 -0.49 0.86 3.32 -1.60 -1.02 116.42 117.34 3k1f h ASP 218 Ca 0.08 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3k1f h ASP 218 Cb 0.48 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3k1f h ASP 218 CO -0.27 0.26 -0.30 -0.26 -1.72 0.00 0.00 179.24 176.95 3k1f h PHE 219 N 0.15 -0.96 -0.30 4.55 0.05 -0.30 -0.21 116.94 119.92 3k1f h PHE 219 Ca 0.06 0.06 -0.04 0.00 3.82 0.00 0.00 57.97 61.88 3k1f h PHE 219 Cb 0.10 0.48 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 3k1f h PHE 219 CO -0.03 -0.19 0.05 1.15 -0.18 0.00 0.00 178.31 179.11 3k1f h THR 220 N -0.01 1.23 0.00 -1.55 2.02 -1.24 -2.59 112.91 110.76 3k1f h THR 220 Ca 0.08 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3k1f h THR 220 Cb 0.21 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3k1f h THR 220 CO -0.47 0.26 0.00 -1.54 0.37 0.00 0.00 175.52 174.15 3k1f n SER 221 N -4.63 0.00 -0.24 4.18 3.41 -0.39 -1.16 113.62 114.79 3k1f n SER 221 Ca -0.02 -0.74 0.02 0.00 -0.26 0.00 0.00 58.87 57.87 3k1f n SER 221 Cb 0.21 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 3k1f n SER 221 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k1f n LEU 222 N -0.60 2.10 -1.27 1.04 4.77 -0.18 -4.74 117.00 118.12 3k1f n LEU 222 Ca 0.02 -1.73 -0.00 0.00 -0.03 0.00 0.00 56.01 54.27 3k1f n LEU 222 Cb 0.01 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3k1f n LEU 222 CO 0.01 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3k1f n GLY 223 N 0.00 0.61 0.00 -0.72 0.00 -0.31 -4.68 105.19 100.10 3k1f n GLY 223 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3k1f n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k1f n PHE 224 N -1.28 0.00 -3.32 1.61 3.01 -1.20 -4.43 117.46 111.85 3k1f n PHE 224 Ca -0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 3k1f n PHE 224 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 3k1f n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3k1f s ASN 225 N 0.86 -0.92 0.59 4.37 2.47 -0.98 -4.59 114.94 116.74 3k1f s ASN 225 Ca 0.00 0.87 0.30 0.00 0.42 0.00 0.00 52.86 54.45 3k1f s ASN 225 Cb 0.00 1.89 1.30 0.00 -1.45 0.00 0.00 41.25 42.99 3k1f s ASN 225 CO 0.00 -0.17 1.64 -0.08 -3.72 0.00 0.00 177.10 174.77 3k1f h GLU 226 N 7.87 0.00 0.00 0.43 4.22 -1.92 -0.92 114.58 124.26 3k1f h GLU 226 Ca -0.18 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.07 3k1f h GLU 226 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3k1f h GLU 226 CO 0.10 0.00 -1.42 0.28 -2.18 0.00 0.00 179.01 175.79 3k1f n VAL 227 N -3.59 1.50 -0.10 0.32 0.31 -1.26 -4.78 118.33 110.73 3k1f n VAL 227 Ca 0.18 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.27 3k1f n VAL 227 Cb 1.14 -2.15 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 3k1f n VAL 227 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3k1f h PHE 228 N -1.00 0.00 -3.07 3.52 -1.00 -1.88 -3.46 116.94 110.06 3k1f h PHE 228 Ca -0.29 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.87 3k1f h PHE 228 Cb 1.15 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.31 3k1f h PHE 228 CO -0.16 1.39 -0.73 -1.54 -1.61 0.00 0.00 178.31 175.67 3k1f s SER 229 N -6.74 3.79 -0.14 2.17 1.04 -0.36 -0.99 113.70 112.46 3k1f s SER 229 Ca -0.27 -2.57 -0.23 0.00 0.48 0.00 0.00 55.95 53.36 3k1f s SER 229 Cb 0.05 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.03 3k1f s SER 229 CO 0.60 -0.28 0.70 -0.13 0.98 0.00 0.00 173.24 175.11 3k1f s ARG 230 N 0.41 4.33 0.32 4.02 0.52 -1.23 -2.33 118.95 124.99 3k1f s ARG 230 Ca 0.17 0.82 0.07 0.00 -0.52 0.00 0.00 55.73 56.26 3k1f s ARG 230 Cb -0.24 -3.52 0.89 0.00 0.52 0.00 0.00 34.95 32.60 3k1f s ARG 230 CO -0.02 -0.13 1.60 -1.35 0.02 0.00 0.00 175.30 175.42 3k1f h PRO 231 N 7.14 0.08 -0.84 3.54 0.11 -1.91 -0.68 132.00 139.44 3k1f h PRO 231 Ca -0.35 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.97 3k1f h PRO 231 Cb 1.16 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 3k1f h PRO 231 CO 0.78 0.05 0.23 1.05 -0.21 0.00 0.00 178.00 179.90 3k1f h GLU 232 N 0.08 0.24 0.00 1.05 4.11 -1.90 -1.34 114.58 116.81 3k1f h GLU 232 Ca 0.65 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.06 3k1f h GLU 232 Cb 1.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3k1f h GLU 232 CO -0.79 0.16 0.00 0.91 0.07 0.00 0.00 179.01 179.36 3k1f n TRP 233 N -5.19 0.00 0.25 2.06 8.01 -0.26 -1.95 117.44 120.37 3k1f n TRP 233 Ca 0.19 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.52 3k1f n TRP 233 Cb 0.61 -0.34 0.63 0.00 -2.01 0.00 0.00 31.31 30.20 3k1f n TRP 233 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3k1f h MET 234 N 0.00 0.00 -4.89 -0.99 2.86 -1.38 -3.39 114.93 107.14 3k1f h MET 234 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 3k1f h MET 234 Cb 0.09 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.56 3k1f h MET 234 CO 0.00 0.12 -0.54 0.42 1.06 0.00 0.00 176.91 177.97 3k1f s ILE 235 N -3.81 5.04 -0.13 -1.22 1.09 -0.82 -3.35 121.20 117.99 3k1f s ILE 235 Ca -0.00 0.02 -0.27 0.00 -1.10 0.00 0.00 60.65 59.29 3k1f s ILE 235 Cb 0.11 -3.42 -0.02 0.00 -1.06 0.00 0.00 42.46 38.07 3k1f s ILE 235 CO 0.58 0.23 0.89 -0.76 -0.10 0.00 0.00 174.94 175.79 3k1f s LEU 236 N 1.71 4.22 -0.22 2.97 1.43 0.00 -4.88 118.68 123.92 3k1f s LEU 236 Ca 0.07 1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.40 3k1f s LEU 236 Cb -0.16 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 3k1f s LEU 236 CO 0.09 -0.40 -0.26 0.41 0.23 0.00 0.00 176.35 176.42 3k1f n THR 237 N 4.58 1.18 -4.23 5.49 -1.04 -1.26 -1.40 114.28 117.61 3k1f n THR 237 Ca 0.06 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.05 61.41 3k1f n THR 237 Cb 0.49 -1.70 -0.16 0.00 -1.82 0.00 0.00 70.33 67.14 3k1f n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1f s LEU 239 N 1.18 4.37 -0.22 0.00 0.20 -0.09 -4.85 118.68 119.27 3k1f s LEU 239 Ca 0.02 1.10 -0.28 0.00 0.69 0.00 0.00 54.13 55.66 3k1f s LEU 239 Cb -0.14 -2.91 0.00 0.00 -0.43 0.00 0.00 46.19 42.71 3k1f s LEU 239 CO -0.08 0.04 0.98 -2.16 -0.29 0.00 0.00 176.35 174.84 3k1f s PRO 240 N 0.14 4.26 -0.36 0.98 0.05 -1.26 -1.24 135.00 137.57 3k1f s PRO 240 Ca 0.31 1.25 -0.27 0.00 0.05 0.00 0.00 61.00 62.34 3k1f s PRO 240 Cb -0.18 -3.63 0.02 0.00 0.05 0.00 0.00 34.50 30.76 3k1f s PRO 240 CO 0.16 -0.57 1.00 0.08 0.05 0.00 0.00 177.00 177.72 3k1f s VAL 241 N 2.98 4.53 0.33 -0.36 1.01 0.18 -4.90 120.40 124.16 3k1f s VAL 241 Ca 0.42 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 3k1f s VAL 241 Cb -0.15 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 3k1f s VAL 241 CO 0.07 -0.55 1.19 -2.84 0.00 0.00 0.00 175.10 172.98 3k1f s PRO 242 N 3.62 4.38 0.72 2.72 0.02 -1.26 -0.89 135.00 144.32 3k1f s PRO 242 Ca 0.42 1.96 -0.11 0.00 0.02 0.00 0.00 61.00 63.28 3k1f s PRO 242 Cb -0.12 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.42 3k1f s PRO 242 CO 0.18 -0.07 1.08 -1.25 -0.33 0.00 0.00 177.00 176.62 3k1f s PRO 243 N -1.80 2.72 0.43 5.54 0.04 -1.26 -4.86 135.00 135.81 3k1f s PRO 243 Ca 0.49 0.64 0.28 0.00 0.04 0.00 0.00 61.00 62.45 3k1f s PRO 243 Cb -0.34 -1.99 1.35 0.00 0.04 0.00 0.00 34.50 33.56 3k1f s PRO 243 CO 0.45 -1.17 1.67 -1.35 0.04 0.00 0.00 177.00 176.63 3k1f h PRO 244 N -0.76 0.15 -0.01 0.56 0.11 -1.85 -1.76 132.00 128.45 3k1f h PRO 244 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k1f h PRO 244 Cb 1.24 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3k1f h PRO 244 CO 0.61 0.10 0.00 -1.35 -0.21 0.00 0.00 178.00 177.16 3k1f h PRO 245 N 0.16 0.00 0.04 1.05 0.11 -1.93 -2.19 132.00 129.24 3k1f h PRO 245 Ca 0.76 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.60 3k1f h PRO 245 Cb 2.32 0.00 0.02 0.00 0.11 0.00 0.00 31.00 33.44 3k1f h PRO 245 CO -0.36 0.00 -1.09 0.28 -0.21 0.00 0.00 178.00 176.62 3k1f h VAL 246 N 0.00 1.33 -3.13 3.15 2.07 -1.68 -3.38 116.25 114.61 3k1f h VAL 246 Ca 0.00 -2.42 -0.62 0.00 0.82 0.00 0.00 66.70 64.48 3k1f h VAL 246 Cb 0.01 2.52 -0.42 0.00 -1.52 0.00 0.00 31.29 31.88 3k1f h VAL 246 CO -0.00 0.73 -0.58 0.00 0.02 0.00 0.00 177.57 177.75 3k1f s ARG 247 N -3.16 2.40 0.12 1.57 1.70 -0.87 -5.04 118.95 115.67 3k1f s ARG 247 Ca -0.08 -3.25 -0.31 0.00 -0.47 0.00 0.00 55.73 51.62 3k1f s ARG 247 Cb 0.07 -3.41 -0.08 0.00 -0.57 0.00 0.00 34.95 30.96 3k1f s ARG 247 CO 0.91 -1.26 1.40 -2.14 -1.08 0.00 0.00 175.30 173.13 3k1f s PRO 248 N -1.29 4.31 -0.30 3.89 0.02 -0.91 -4.58 135.00 136.14 3k1f s PRO 248 Ca 0.24 2.10 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 3k1f s PRO 248 Cb -0.08 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3k1f s PRO 248 CO -0.14 -0.45 0.11 -1.12 -0.33 0.00 0.00 177.00 175.07 3k1f s SER 249 N 1.08 5.29 -0.53 2.53 0.01 -1.26 -3.94 113.70 116.88 3k1f s SER 249 Ca 0.65 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 3k1f s SER 249 Cb -0.37 -1.93 0.14 0.00 0.21 0.00 0.00 66.02 64.07 3k1f s SER 249 CO 0.31 -0.20 0.35 -0.63 0.41 0.00 0.00 173.24 173.47 3k1f s ILE 250 N 1.54 3.65 -0.92 1.44 1.09 -0.00 -4.92 121.20 123.08 3k1f s ILE 250 Ca 0.03 -2.48 -0.24 0.00 -1.10 0.00 0.00 60.65 56.86 3k1f s ILE 250 Cb -0.17 -3.42 0.03 0.00 -1.06 0.00 0.00 42.46 37.84 3k1f s ILE 250 CO 0.04 -0.80 1.46 -0.94 -0.10 0.00 0.00 174.94 174.60 3k1f s SER 251 N 1.37 6.25 -0.65 3.58 1.04 -1.20 -3.74 113.70 120.35 3k1f s SER 251 Ca 0.12 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.25 3k1f s SER 251 Cb -0.22 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.29 3k1f s SER 251 CO -0.04 -1.73 2.10 -0.36 0.98 0.00 0.00 173.24 174.19 3k1f s PHE 252 N 5.75 1.46 0.00 5.02 0.40 -1.26 -4.58 117.98 124.77 3k1f s PHE 252 Ca 0.46 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 3k1f s PHE 252 Cb -0.03 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.64 3k1f s PHE 252 CO -0.01 -2.18 0.00 -1.71 0.70 0.00 0.00 175.22 172.02 3k1f n ASN 253 N 14.60 0.00 0.19 1.36 2.85 -1.26 -3.85 115.26 129.14 3k1f n ASN 253 Ca 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 3k1f n ASN 253 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 3k1f n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3k1f n GLU 254 N 0.00 0.00 0.00 1.20 4.71 -1.26 -4.96 120.64 120.33 3k1f n GLU 254 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 3k1f n GLU 254 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 30.53 3k1f n GLU 254 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3k1f n SER 255 N -3.45 0.00 -4.39 1.62 3.41 -1.26 -4.78 113.62 104.77 3k1f n SER 255 Ca 0.00 -0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.17 3k1f n SER 255 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3k1f n SER 255 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k1f s GLN 256 N -2.00 1.45 -0.06 4.33 1.11 -1.25 -5.07 119.66 118.17 3k1f s GLN 256 Ca 0.05 -1.58 -0.08 0.00 0.01 0.00 0.00 55.36 53.76 3k1f s GLN 256 Cb 0.02 -1.50 -0.03 0.00 -1.01 0.00 0.00 33.01 30.49 3k1f s GLN 256 CO 0.04 0.29 -0.16 -2.13 0.01 0.00 0.00 175.29 173.34 3k1f n ARG 257 N -0.15 0.24 -3.38 2.91 0.63 -1.26 -4.04 116.66 111.62 3k1f n ARG 257 Ca -0.09 0.10 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3k1f n ARG 257 Cb 0.59 -0.88 0.05 0.00 0.45 0.00 0.00 32.46 32.67 3k1f n ARG 257 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k1f n GLY 258 N 2.10 -1.12 0.00 5.14 0.00 -1.24 -3.26 105.19 106.80 3k1f n GLY 258 Ca -0.06 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3k1f n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1f n GLU 259 N -3.40 -0.04 -4.08 1.61 -0.58 -1.26 -0.82 120.64 112.07 3k1f n GLU 259 Ca -0.08 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 3k1f n GLU 259 Cb 0.60 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.36 3k1f n GLU 259 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3k1f s ASP 260 N -1.34 0.85 0.19 1.62 -1.08 -1.25 -4.79 116.67 110.87 3k1f s ASP 260 Ca 0.00 -0.69 -0.23 0.00 -0.52 0.00 0.00 52.55 51.11 3k1f s ASP 260 Cb 0.00 0.07 0.10 0.00 -1.46 0.00 0.00 42.92 41.63 3k1f s ASP 260 CO 0.00 -0.30 1.55 0.44 0.52 0.00 0.00 175.17 177.38 3k1f h ASP 261 N 4.04 -1.65 -0.88 -0.34 3.32 -1.93 -0.41 116.42 118.57 3k1f h ASP 261 Ca -0.35 0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3k1f h ASP 261 Cb 1.19 0.79 -0.04 0.00 0.22 0.00 0.00 39.33 41.49 3k1f h ASP 261 CO 0.48 -0.28 0.54 -0.07 -1.72 0.00 0.00 179.24 178.19 3k1f h LEU 262 N -0.06 1.05 -0.73 1.55 3.38 -1.95 -1.31 115.31 117.23 3k1f h LEU 262 Ca 0.25 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3k1f h LEU 262 Cb 0.54 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3k1f h LEU 262 CO -0.90 0.79 0.41 0.74 0.09 0.00 0.00 178.44 179.58 3k1f h THR 263 N 1.21 0.94 -0.21 0.22 2.02 -1.47 0.32 112.91 115.93 3k1f h THR 263 Ca 0.32 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3k1f h THR 263 Cb -0.07 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3k1f h THR 263 CO -0.06 0.13 0.04 -0.26 0.37 0.00 0.00 175.52 175.74 3k1f h PHE 264 N 0.72 0.37 -0.63 3.16 0.04 -0.64 -0.88 116.94 119.07 3k1f h PHE 264 Ca 0.34 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 3k1f h PHE 264 Cb 0.26 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3k1f h PHE 264 CO -0.08 0.48 0.18 -0.22 -0.60 0.00 0.00 178.31 178.07 3k1f h LYS 265 N 0.15 0.98 -0.51 1.51 1.63 -0.43 -0.11 116.57 119.78 3k1f h LYS 265 Ca 0.06 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 3k1f h LYS 265 Cb 0.31 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3k1f h LYS 265 CO 0.00 0.85 0.23 -0.07 -3.45 0.00 0.00 179.45 177.01 3k1f h LEU 266 N 0.94 0.69 -1.18 5.20 3.38 -0.30 -0.43 115.31 123.61 3k1f h LEU 266 Ca 0.21 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3k1f h LEU 266 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1f h LEU 266 CO -0.00 0.65 -0.19 0.00 0.09 0.00 0.00 178.44 178.99 3k1f h ALA 267 N 1.07 1.32 -0.26 1.53 0.00 -0.71 -0.98 119.26 121.23 3k1f h ALA 267 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3k1f h ALA 267 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k1f h ALA 267 CO -0.02 0.46 -0.33 -0.44 0.00 0.00 0.00 179.25 178.92 3k1f h ASP 268 N 0.31 0.56 -0.03 0.00 5.19 -0.57 -0.98 116.42 120.90 3k1f h ASP 268 Ca 0.06 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3k1f h ASP 268 Cb 0.52 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 3k1f h ASP 268 CO 0.03 0.86 0.00 0.40 -3.12 0.00 0.00 179.24 177.41 3k1f h ILE 269 N 0.46 1.23 -0.91 0.35 2.04 -0.40 -0.80 117.51 119.49 3k1f h ILE 269 Ca 0.05 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.30 3k1f h ILE 269 Cb 0.80 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 3k1f h ILE 269 CO 0.07 0.18 0.59 -0.07 0.00 0.00 0.00 178.15 178.92 3k1f h LEU 270 N -0.23 0.91 0.31 1.44 4.07 -1.04 0.20 115.31 120.97 3k1f h LEU 270 Ca 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3k1f h LEU 270 Cb 0.29 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3k1f h LEU 270 CO 0.00 0.58 -0.15 0.11 -1.08 0.00 0.00 178.44 177.91 3k1f h LYS 271 N 1.03 -0.40 -1.00 1.13 1.57 -0.99 -0.09 116.57 117.83 3k1f h LYS 271 Ca 0.39 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.24 3k1f h LYS 271 Cb 0.20 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 3k1f h LYS 271 CO -0.15 -0.24 0.65 0.00 -0.57 0.00 0.00 179.45 179.15 3k1f h ALA 272 N 0.24 1.36 -0.16 3.86 0.00 -0.21 -1.37 119.26 122.98 3k1f h ALA 272 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3k1f h ALA 272 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3k1f h ALA 272 CO 0.07 0.54 -0.07 -0.97 0.00 0.00 0.00 179.25 178.82 3k1f h ASN 273 N 1.25 0.34 -0.26 0.00 -1.24 -0.52 -1.60 115.58 113.56 3k1f h ASN 273 Ca 0.40 -0.40 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3k1f h ASN 273 Cb 0.02 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3k1f h ASN 273 CO -0.13 0.67 0.13 0.40 -1.29 0.00 0.00 177.43 177.21 3k1f h ILE 274 N 0.02 1.14 -0.15 2.57 2.04 -0.80 -0.54 117.51 121.79 3k1f h ILE 274 Ca 0.04 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3k1f h ILE 274 Cb 0.53 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3k1f h ILE 274 CO 0.02 0.14 0.08 -1.28 0.00 0.00 0.00 178.15 177.11 3k1f h SER 275 N 0.30 0.17 0.26 1.72 0.87 -1.25 -1.08 113.55 114.55 3k1f h SER 275 Ca 0.09 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3k1f h SER 275 Cb 0.10 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3k1f h SER 275 CO -0.01 0.14 -0.13 0.25 -0.53 0.00 0.00 176.83 176.55 3k1f h LEU 276 N 0.20 -0.30 -0.73 2.23 5.85 -0.88 -3.23 115.31 118.45 3k1f h LEU 276 Ca 0.05 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.76 3k1f h LEU 276 Cb 0.00 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 3k1f h LEU 276 CO -0.01 0.20 0.07 -0.33 -0.34 0.00 0.00 178.44 178.02 3k1f h GLU 277 N -0.98 0.15 -0.45 1.25 5.08 -0.86 -1.05 114.58 117.72 3k1f h GLU 277 Ca -0.04 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3k1f h GLU 277 Cb 0.46 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 3k1f h GLU 277 CO 0.06 0.10 -0.10 1.15 -1.00 0.00 0.00 179.01 179.22 3k1f h THR 278 N 0.16 0.56 0.00 1.13 2.02 -1.31 -1.29 112.91 114.17 3k1f h THR 278 Ca 0.40 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 3k1f h THR 278 Cb 0.70 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3k1f h THR 278 CO -0.59 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.23 3k1f h LEU 279 N 0.01 0.00 0.07 2.58 3.38 -1.23 -1.82 115.31 118.30 3k1f h LEU 279 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3k1f h LEU 279 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3k1f h LEU 279 CO -0.45 0.00 -0.03 -0.33 0.09 0.00 0.00 178.44 177.71 3k1f h GLU 280 N 0.00 -0.09 0.53 1.13 4.39 -0.71 -3.30 114.58 116.53 3k1f h GLU 280 Ca 0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3k1f h GLU 280 Cb 0.60 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3k1f h GLU 280 CO 0.00 0.48 -0.25 1.25 -1.16 0.00 0.00 179.01 179.33 3k1f h HIS 281 N -0.88 -0.66 0.00 4.33 2.76 -1.43 -3.44 115.15 115.83 3k1f h HIS 281 Ca -0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3k1f h HIS 281 Cb 0.61 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.79 3k1f h HIS 281 CO 0.14 -0.35 0.00 0.09 -1.30 0.00 0.00 177.93 176.51 3k1f n ASN 282 N -5.26 0.00 -4.59 3.26 3.02 -0.69 -4.84 115.26 106.16 3k1f n ASN 282 Ca -0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 3k1f n ASN 282 Cb 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3k1f n ASN 282 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3k1f s GLY 283 N 0.00 0.46 -0.80 7.41 0.00 -1.26 -4.95 107.32 108.17 3k1f s GLY 283 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 45.07 3k1f s GLY 283 CO 0.00 3.66 0.71 0.00 0.00 0.00 0.00 173.10 177.47 3k1f s ALA 284 N 8.42 4.02 -1.35 3.20 0.00 -1.24 -4.72 121.76 130.09 3k1f s ALA 284 Ca 0.92 -3.40 0.00 0.00 0.00 0.00 0.00 51.96 49.49 3k1f s ALA 284 Cb -0.27 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3k1f s ALA 284 CO 0.33 -2.22 0.67 -0.35 0.00 0.00 0.00 175.76 174.18 3k1f n PRO 285 N 3.60 0.99 0.00 0.00 -0.05 -1.26 -4.92 135.00 133.36 3k1f n PRO 285 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.59 3k1f n PRO 285 Cb 0.43 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 3k1f n PRO 285 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3k1f n HIS 286 N -0.17 0.00 -1.39 0.54 8.25 -1.26 -3.82 115.22 117.37 3k1f n HIS 286 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3k1f n HIS 286 Cb 0.16 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.34 3k1f n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3k1f n HIS 287 N 0.00 3.10 0.00 4.41 8.25 -1.26 -3.20 115.22 126.52 3k1f n HIS 287 Ca 0.00 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 3k1f n HIS 287 Cb 0.00 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 29.71 3k1f n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1f n ALA 288 N -0.79 0.50 -0.01 -1.41 0.00 -1.25 -4.81 120.51 112.75 3k1f n ALA 288 Ca 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.87 3k1f n ALA 288 Cb 0.60 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 3k1f n ALA 288 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3k1f h ILE 289 N 0.00 1.38 0.00 0.00 2.04 -1.84 -3.28 117.51 115.81 3k1f h ILE 289 Ca 0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3k1f h ILE 289 Cb 0.04 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3k1f h ILE 289 CO 0.00 0.58 0.02 -1.84 0.00 0.00 0.00 178.15 176.91 3k1f n GLU 290 N -4.18 0.00 -0.04 2.37 0.28 -1.25 -1.11 120.64 116.70 3k1f n GLU 290 Ca -0.09 0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 3k1f n GLU 290 Cb 0.66 -1.52 -0.12 0.00 1.43 0.00 0.00 31.44 31.88 3k1f n GLU 290 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3k1f h GLU 291 N 0.00 0.07 0.00 3.44 3.07 -1.92 -1.80 114.58 117.43 3k1f h GLU 291 Ca 0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 3k1f h GLU 291 Cb 0.04 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3k1f h GLU 291 CO 0.00 0.92 -0.04 0.00 -1.40 0.00 0.00 179.01 178.49 3k1f h ALA 292 N 0.15 0.99 0.09 3.43 0.00 -1.36 -2.51 119.26 120.05 3k1f h ALA 292 Ca -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 3k1f h ALA 292 Cb 0.97 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.78 3k1f h ALA 292 CO 0.02 0.05 -1.15 1.49 0.00 0.00 0.00 179.25 179.66 3k1f h GLU 293 N 0.00 0.62 0.00 0.00 4.81 -1.59 -1.23 114.58 117.19 3k1f h GLU 293 Ca -0.00 -0.79 -0.07 0.00 -0.13 0.00 0.00 59.36 58.37 3k1f h GLU 293 Cb 0.72 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3k1f h GLU 293 CO 0.01 1.35 -0.36 0.66 -0.73 0.00 0.00 179.01 179.94 3k1f h SER 294 N 0.25 0.00 0.18 1.04 4.64 -1.24 -0.05 113.55 118.37 3k1f h SER 294 Ca -0.17 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.85 3k1f h SER 294 Cb 1.83 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.94 3k1f h SER 294 CO 0.22 0.36 -1.25 0.25 -0.87 0.00 0.00 176.83 175.53 3k1f h LEU 295 N 0.00 0.84 -0.66 5.97 5.85 -1.47 -2.48 115.31 123.36 3k1f h LEU 295 Ca -0.00 -0.78 -0.08 0.00 0.84 0.00 0.00 57.88 57.86 3k1f h LEU 295 Cb 0.79 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3k1f h LEU 295 CO 0.05 1.59 0.12 0.25 -0.34 0.00 0.00 178.44 180.10 3k1f h LEU 296 N 0.25 1.05 -0.89 2.25 5.85 -1.04 0.16 115.31 122.94 3k1f h LEU 296 Ca -0.19 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.34 3k1f h LEU 296 Cb 1.93 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 3k1f h LEU 296 CO 0.24 1.04 0.56 -0.61 -0.34 0.00 0.00 178.44 179.32 3k1f h GLN 297 N 1.01 1.00 0.11 1.25 5.75 -1.02 -0.86 115.11 122.35 3k1f h GLN 297 Ca 0.20 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3k1f h GLN 297 Cb 0.43 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.76 3k1f h GLN 297 CO 0.01 0.66 -0.05 0.35 -2.65 0.00 0.00 178.83 177.15 3k1f h PHE 298 N 1.03 -0.13 -0.95 3.99 3.57 -1.08 -3.04 116.94 120.33 3k1f h PHE 298 Ca 0.38 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.07 3k1f h PHE 298 Cb 0.15 0.04 -0.18 0.00 2.79 0.00 0.00 35.95 38.76 3k1f h PHE 298 CO -0.02 -0.08 -0.24 0.45 -2.23 0.00 0.00 178.31 176.18 3k1f h HIS 299 N -0.24 -0.52 0.04 0.41 3.86 -0.89 0.22 115.15 118.02 3k1f h HIS 299 Ca -0.01 0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3k1f h HIS 299 Cb 0.11 0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3k1f h HIS 299 CO 0.10 -0.41 -0.02 0.28 0.86 0.00 0.00 177.93 178.74 3k1f h VAL 300 N -0.00 1.11 -0.01 2.45 2.07 -1.31 -1.41 116.25 119.15 3k1f h VAL 300 Ca 0.45 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 3k1f h VAL 300 Cb 0.69 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3k1f h VAL 300 CO -0.98 0.11 -0.41 0.00 0.02 0.00 0.00 177.57 176.31 3k1f h ALA 301 N 0.71 1.30 0.00 1.67 0.00 -1.20 -2.90 119.26 118.84 3k1f h ALA 301 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3k1f h ALA 301 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3k1f h ALA 301 CO 0.01 0.52 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 3k1f h THR 302 N 0.01 0.00 -0.12 0.00 1.03 -0.55 -1.14 112.91 112.15 3k1f h THR 302 Ca -0.00 -0.55 -0.18 0.00 -0.01 0.00 0.00 66.41 65.67 3k1f h THR 302 Cb 0.74 1.43 -0.00 0.00 -1.07 0.00 0.00 68.15 69.24 3k1f h THR 302 CO 0.05 0.00 -0.68 0.22 -0.01 0.00 0.00 175.52 175.10 3k1f h TYR 303 N 0.00 0.66 0.03 0.00 3.20 -1.04 -3.35 116.97 116.46 3k1f h TYR 303 Ca 0.00 -0.27 -0.20 0.00 3.14 0.00 0.00 58.73 61.39 3k1f h TYR 303 Cb 0.77 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3k1f h TYR 303 CO 0.00 1.03 -1.09 0.52 -1.64 0.00 0.00 178.16 176.98 3k1f h MET 304 N 0.35 0.06 -3.56 1.82 2.86 -1.56 -3.22 114.93 111.68 3k1f h MET 304 Ca -0.02 -0.10 -0.40 0.00 -2.06 0.00 0.00 59.70 57.12 3k1f h MET 304 Cb 1.26 0.04 -0.38 0.00 0.06 0.00 0.00 31.60 32.57 3k1f h MET 304 CO 0.12 1.05 -0.75 0.34 1.06 0.00 0.00 176.91 178.73 3k1f s ASP 305 N -6.78 1.27 -0.16 1.22 2.15 -0.43 -0.02 116.67 113.92 3k1f s ASP 305 Ca -0.25 -0.02 0.18 0.00 0.43 0.00 0.00 52.55 52.89 3k1f s ASP 305 Cb 0.04 -0.30 -0.25 0.00 -0.30 0.00 0.00 42.92 42.11 3k1f s ASP 305 CO 0.65 -0.20 0.13 -3.20 -0.17 0.00 0.00 175.17 172.38 3k1f n ASN 306 N 5.06 0.27 -1.60 -0.34 5.15 -1.26 -3.88 115.26 118.67 3k1f n ASN 306 Ca -0.08 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.87 3k1f n ASN 306 Cb 0.50 1.14 -0.02 0.00 -0.53 0.00 0.00 39.78 40.88 3k1f n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3k1f n ASP 307 N -2.62 5.46 -4.74 1.20 8.00 -1.26 -4.67 116.55 117.91 3k1f n ASP 307 Ca -0.26 -2.49 -0.30 0.00 0.71 0.00 0.00 54.79 52.44 3k1f n ASP 307 Cb 1.02 -1.16 0.12 0.00 -0.02 0.00 0.00 41.12 41.08 3k1f n ASP 307 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3k1f s ILE 308 N -0.13 2.94 0.03 0.53 -5.25 -1.26 -5.02 121.20 113.04 3k1f s ILE 308 Ca 0.11 0.31 -0.17 0.00 -0.99 0.00 0.00 60.65 59.91 3k1f s ILE 308 Cb 0.06 -2.78 -0.26 0.00 2.95 0.00 0.00 42.46 42.43 3k1f s ILE 308 CO -0.00 -0.40 1.10 0.00 -1.79 0.00 0.00 174.94 173.84 3k1f h ALA 309 N -1.37 0.04 0.00 2.27 0.00 -1.98 -3.39 119.26 114.83 3k1f h ALA 309 Ca -0.47 -0.68 -0.57 0.00 0.00 0.00 0.00 54.91 53.20 3k1f h ALA 309 Cb 1.26 0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.15 3k1f h ALA 309 CO 0.53 0.53 2.59 0.41 0.00 0.00 0.00 179.25 183.32 3k1f n GLY 310 N 1.24 3.07 0.69 0.00 0.00 -1.26 -4.92 105.19 104.01 3k1f n GLY 310 Ca -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3k1f n GLY 310 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1f n GLN 311 N 5.79 0.00 -1.24 1.61 1.13 -1.26 -4.84 117.38 118.57 3k1f n GLN 311 Ca 0.50 0.00 -0.55 0.00 -1.94 0.00 0.00 57.00 55.01 3k1f n GLN 311 Cb 0.30 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.55 3k1f n GLN 311 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3k1f n PRO 312 N 0.00 0.00 -3.99 -1.09 -0.02 -1.26 -4.89 135.00 123.75 3k1f n PRO 312 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 3k1f n PRO 312 Cb 0.00 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 3k1f n PRO 312 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k1f s GLN 313 N 4.30 3.46 -1.16 -0.52 -0.21 -1.26 -4.96 119.66 119.31 3k1f s GLN 313 Ca 1.00 -0.22 -0.21 0.00 0.02 0.00 0.00 55.36 55.94 3k1f s GLN 313 Cb -1.30 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 29.57 3k1f s GLN 313 CO 0.62 0.67 1.81 0.00 -2.12 0.00 0.00 175.29 176.27 3k1f s ALA 314 N -0.72 2.39 0.28 6.09 0.00 -1.26 -4.97 121.76 123.57 3k1f s ALA 314 Ca 0.13 -2.33 -0.29 0.00 0.00 0.00 0.00 51.96 49.46 3k1f s ALA 314 Cb -0.12 -4.63 -0.10 0.00 0.00 0.00 0.00 23.12 18.27 3k1f s ALA 314 CO 0.03 -4.34 1.16 -0.51 0.00 0.00 0.00 175.76 172.09 3k1f s LEU 315 N 7.92 4.51 0.81 0.00 1.02 -1.26 -3.34 118.68 128.34 3k1f s LEU 315 Ca 0.61 2.36 -0.12 0.00 0.02 0.00 0.00 54.13 57.00 3k1f s LEU 315 Cb 0.00 -3.63 0.08 0.00 0.02 0.00 0.00 46.19 42.66 3k1f s LEU 315 CO 0.07 -0.26 1.17 -1.10 0.02 0.00 0.00 176.35 176.25 3k1f s GLN 316 N -1.37 2.00 -1.30 1.70 -1.52 0.24 -4.92 119.66 114.49 3k1f s GLN 316 Ca 0.46 0.14 -0.14 0.00 -1.95 0.00 0.00 55.36 53.88 3k1f s GLN 316 Cb -0.34 -1.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.47 3k1f s GLN 316 CO 0.43 -1.58 2.29 1.17 -0.25 0.00 0.00 175.29 177.35 3k1f n LYS 317 N -3.31 2.66 0.00 2.91 3.00 -1.26 -2.26 118.16 119.90 3k1f n LYS 317 Ca 0.08 -2.28 0.00 0.00 -0.00 0.00 0.00 58.31 56.11 3k1f n LYS 317 Cb 0.61 -3.06 0.00 0.00 0.00 0.00 0.00 35.03 32.58 3k1f n LYS 317 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3k1f n SER 318 N 5.79 0.00 0.00 3.14 3.41 -1.26 -5.01 113.62 119.69 3k1f n SER 318 Ca 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3k1f n SER 318 Cb 0.34 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3k1f n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1f n GLY 319 N -1.05 0.19 3.66 5.00 0.00 -0.96 -5.12 105.19 106.91 3k1f n GLY 319 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3k1f n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1f s ARG 320 N 0.00 4.25 0.00 1.61 3.52 -1.26 -4.72 118.95 122.34 3k1f s ARG 320 Ca 0.00 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 3k1f s ARG 320 Cb 0.00 -3.75 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3k1f s ARG 320 CO 0.00 -0.68 0.23 -2.30 -0.81 0.00 0.00 175.30 171.75 3k1f n PRO 321 N 6.42 0.34 -1.15 5.12 -0.02 -1.26 0.82 135.00 145.27 3k1f n PRO 321 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3k1f n PRO 321 Cb 0.45 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3k1f n PRO 321 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3k1f n VAL 322 N 0.00 -4.99 -2.32 -1.45 3.14 -1.21 -4.06 118.33 107.43 3k1f n VAL 322 Ca 0.00 1.64 -0.34 0.00 -2.96 0.00 0.00 64.34 62.68 3k1f n VAL 322 Cb 0.05 -2.83 -0.04 0.00 -1.06 0.00 0.00 33.84 29.97 3k1f n VAL 322 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3k1f s LYS 323 N -2.61 3.12 0.43 1.45 1.02 -1.26 -4.87 119.74 117.02 3k1f s LYS 323 Ca 0.00 -0.80 -0.22 0.00 0.02 0.00 0.00 55.97 54.97 3k1f s LYS 323 Cb 0.00 -5.24 -0.10 0.00 -0.52 0.00 0.00 37.83 31.98 3k1f s LYS 323 CO 0.00 -2.77 1.00 -1.54 -0.92 0.00 0.00 175.35 171.12 3k1f s SER 324 N 6.31 6.75 0.27 2.83 1.04 -1.26 -4.56 113.70 125.09 3k1f s SER 324 Ca 0.57 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 3k1f s SER 324 Cb -0.03 -2.56 0.59 0.00 0.10 0.00 0.00 66.02 64.12 3k1f s SER 324 CO -0.05 -0.49 1.66 0.40 0.98 0.00 0.00 173.24 175.74 3k1f h ILE 325 N 1.95 0.39 -0.71 -1.02 2.04 -1.49 -0.54 117.51 118.13 3k1f h ILE 325 Ca -0.49 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3k1f h ILE 325 Cb 1.20 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3k1f h ILE 325 CO 0.61 0.04 0.36 -0.09 0.00 0.00 0.00 178.15 179.07 3k1f h ARG 326 N 0.23 0.60 -0.21 2.37 2.43 -0.76 -1.99 114.38 117.05 3k1f h ARG 326 Ca 0.49 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.51 3k1f h ARG 326 Cb 0.92 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3k1f h ARG 326 CO -0.60 0.39 -0.35 0.00 -1.51 0.00 0.00 179.97 177.90 3k1f h ALA 327 N 1.42 1.00 -0.44 2.80 0.00 -1.36 -2.92 119.26 119.77 3k1f h ALA 327 Ca 0.35 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3k1f h ALA 327 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3k1f h ALA 327 CO -0.26 0.60 0.26 0.00 0.00 0.00 0.00 179.25 179.85 3k1f h ARG 328 N 0.38 0.51 -0.12 0.00 3.08 -1.03 -3.15 114.38 114.06 3k1f h ARG 328 Ca 0.04 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 3k1f h ARG 328 Cb 0.80 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3k1f h ARG 328 CO 0.06 0.34 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.50 3k1f h LEU 329 N 0.53 0.69 -9.23 3.04 3.38 -1.48 -2.21 115.31 110.03 3k1f h LEU 329 Ca 0.17 -0.44 -0.62 0.00 0.09 0.00 0.00 57.88 57.09 3k1f h LEU 329 Cb 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.57 3k1f h LEU 329 CO -0.08 1.20 1.14 0.29 0.09 0.00 0.00 178.44 181.09 3k1f n LYS 330 N -3.89 2.14 0.00 1.13 5.02 -1.11 -2.92 118.16 118.54 3k1f n LYS 330 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3k1f n LYS 330 Cb 0.71 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 3k1f n LYS 330 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1f n GLY 331 N 4.59 -1.94 3.25 0.72 0.00 -1.26 -3.82 105.19 106.72 3k1f n GLY 331 Ca 0.24 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 3k1f n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k1f n LYS 332 N 0.00 -1.64 -2.98 1.61 4.81 -1.26 -3.14 118.16 115.57 3k1f n LYS 332 Ca 0.00 1.43 -0.14 0.00 -0.87 0.00 0.00 58.31 58.73 3k1f n LYS 332 Cb 0.00 -4.52 0.04 0.00 0.02 0.00 0.00 35.03 30.57 3k1f n LYS 332 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3k1f n GLU 333 N -1.55 -4.06 0.00 1.64 1.02 -1.24 -4.92 120.64 111.53 3k1f n GLU 333 Ca -0.07 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3k1f n GLU 333 Cb 0.56 -4.60 0.00 0.00 -0.02 0.00 0.00 31.44 27.38 3k1f n GLU 333 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 334 N -1.34 0.52 0.23 0.62 0.00 -1.19 -4.69 105.19 99.35 3k1f n GLY 334 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3k1f n GLY 334 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k1f n ARG 335 N 0.00 0.51 0.35 1.61 3.00 -0.83 -3.45 116.66 117.85 3k1f n ARG 335 Ca 0.00 0.22 -0.16 0.00 -0.00 0.00 0.00 57.85 57.91 3k1f n ARG 335 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 32.46 31.02 3k1f n ARG 335 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3k1f h ILE 336 N -0.88 0.15 -0.20 5.15 1.08 -1.83 0.03 117.51 121.01 3k1f h ILE 336 Ca -0.46 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3k1f h ILE 336 Cb 1.37 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3k1f h ILE 336 CO -0.28 0.02 0.00 -1.14 -0.69 0.00 0.00 178.15 176.06 3k1f n ARG 337 N -5.41 1.85 -0.01 2.37 0.63 -1.26 -0.74 116.66 114.09 3k1f n ARG 337 Ca -0.12 -1.28 0.03 0.00 -0.92 0.00 0.00 57.85 55.56 3k1f n ARG 337 Cb 0.38 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.81 3k1f n ARG 337 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k1f n GLY 338 N 1.18 -0.42 0.00 5.14 0.00 -1.22 -3.67 105.19 106.20 3k1f n GLY 338 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3k1f n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1f n ASN 339 N -1.89 0.51 -0.01 1.61 3.02 -0.03 -4.62 115.26 113.83 3k1f n ASN 339 Ca -0.03 -0.06 -0.02 0.00 -0.03 0.00 0.00 54.58 54.44 3k1f n ASN 339 Cb 0.32 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 3k1f n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k1f n LEU 340 N -0.28 0.79 -0.01 3.41 4.77 -0.91 -4.68 117.00 120.10 3k1f n LEU 340 Ca 0.00 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3k1f n LEU 340 Cb 0.00 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 3k1f n LEU 340 CO 0.00 0.19 -0.46 0.24 -1.33 0.00 0.00 177.39 176.03 3k1f h MET 341 N 0.00 0.01 -3.27 3.23 2.86 -1.21 -3.41 114.93 113.14 3k1f h MET 341 Ca -0.07 -0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.26 3k1f h MET 341 Cb 1.15 0.01 -0.35 0.00 0.06 0.00 0.00 31.60 32.47 3k1f h MET 341 CO -0.00 0.56 -0.66 0.20 1.06 0.00 0.00 176.91 178.07 3k1f s GLY 342 N -5.08 0.06 0.15 8.32 0.00 -1.26 -5.04 107.32 104.47 3k1f s GLY 342 Ca -0.04 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 3k1f s GLY 342 CO 0.82 1.20 0.15 -1.59 0.00 0.00 0.00 173.10 173.69 3k1f s LYS 343 N 1.64 1.03 0.01 2.90 -2.85 -1.26 -3.05 119.74 118.16 3k1f s LYS 343 Ca -0.03 -1.33 -0.28 0.00 -1.00 0.00 0.00 55.97 53.32 3k1f s LYS 343 Cb -0.12 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 3k1f s LYS 343 CO -0.05 -0.33 0.89 1.03 0.10 0.00 0.00 175.35 176.99 3k1f s ARG 344 N -4.02 4.54 0.23 1.78 0.52 -1.26 -5.07 118.95 115.67 3k1f s ARG 344 Ca 0.22 1.26 0.10 0.00 -0.52 0.00 0.00 55.73 56.78 3k1f s ARG 344 Cb 0.06 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3k1f s ARG 344 CO 0.01 0.06 -0.10 0.14 0.02 0.00 0.00 175.30 175.43 3k1f s VAL 345 N 0.68 3.04 0.22 3.52 -7.23 -1.26 -5.14 120.40 114.23 3k1f s VAL 345 Ca 0.46 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3k1f s VAL 345 Cb -0.21 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 3k1f s VAL 345 CO 0.25 -0.25 0.43 -1.81 -0.31 0.00 0.00 175.10 173.41 3k1f s ASP 346 N -3.22 6.41 -0.86 4.85 1.01 -1.26 -4.54 116.67 119.06 3k1f s ASP 346 Ca 0.28 0.48 -0.02 0.00 0.71 0.00 0.00 52.55 53.99 3k1f s ASP 346 Cb -0.07 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 3k1f s ASP 346 CO 0.16 -0.07 0.74 0.49 0.21 0.00 0.00 175.17 176.70 3k1f n PHE 347 N -0.67 -1.80 -3.97 4.23 3.01 -1.26 -4.88 117.46 112.11 3k1f n PHE 347 Ca -0.04 0.69 -0.10 0.00 1.01 0.00 0.00 57.45 59.02 3k1f n PHE 347 Cb 0.54 -4.05 -0.11 0.00 -0.01 0.00 0.00 39.48 35.85 3k1f n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3k1f s SER 348 N -3.65 0.26 0.01 4.37 1.04 -1.26 -1.46 113.70 113.00 3k1f s SER 348 Ca 0.19 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3k1f s SER 348 Cb -0.02 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 3k1f s SER 348 CO 0.57 -0.25 0.01 0.00 0.98 0.00 0.00 173.24 174.54 3k1f s ALA 349 N -1.27 -0.00 -0.12 5.32 0.00 -0.02 -4.97 121.76 120.70 3k1f s ALA 349 Ca -0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3k1f s ALA 349 Cb -0.09 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.14 3k1f s ALA 349 CO -0.01 -0.10 0.05 0.50 0.00 0.00 0.00 175.76 176.20 3k1f s ARG 350 N -0.78 0.32 0.26 0.00 3.52 -1.26 -0.54 118.95 120.47 3k1f s ARG 350 Ca -0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 3k1f s ARG 350 Cb -0.05 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.90 3k1f s ARG 350 CO -0.00 -0.50 0.21 -0.08 -0.81 0.00 0.00 175.30 174.12 3k1f s THR 351 N 2.03 0.00 0.42 4.11 -1.32 -1.20 -4.92 115.64 114.76 3k1f s THR 351 Ca 0.03 -1.97 -0.25 0.00 -1.21 0.00 0.00 61.69 58.28 3k1f s THR 351 Cb -0.14 -2.50 -0.08 0.00 -1.51 0.00 0.00 72.50 68.27 3k1f s THR 351 CO -0.07 0.00 1.20 -0.69 -2.21 0.00 0.00 174.62 172.86 3k1f s VAL 352 N -3.82 2.99 -0.13 5.08 1.01 -1.26 -1.31 120.40 122.97 3k1f s VAL 352 Ca 0.39 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 3k1f s VAL 352 Cb 0.05 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3k1f s VAL 352 CO 0.19 0.07 0.09 0.27 0.00 0.00 0.00 175.10 175.72 3k1f s ILE 353 N -1.40 5.07 0.01 2.22 -4.36 0.04 -0.23 121.20 122.56 3k1f s ILE 353 Ca 0.59 0.05 0.05 0.00 -0.26 0.00 0.00 60.65 61.07 3k1f s ILE 353 Cb -0.32 -3.22 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 3k1f s ILE 353 CO 0.40 0.57 -0.14 -0.44 0.24 0.00 0.00 174.94 175.57 3k1f s SER 354 N -0.60 1.66 0.37 4.36 0.01 0.20 -4.65 113.70 115.06 3k1f s SER 354 Ca 0.12 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 56.79 3k1f s SER 354 Cb -0.12 -0.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.86 3k1f s SER 354 CO 0.02 0.11 0.97 -0.83 0.41 0.00 0.00 173.24 173.92 3k1f s GLY 355 N -0.70 2.66 -0.09 3.44 0.00 -1.26 -2.27 107.32 109.10 3k1f s GLY 355 Ca 0.04 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 3k1f s GLY 355 CO 0.00 0.92 0.21 -0.35 0.00 0.00 0.00 173.10 173.88 3k1f s ASP 356 N -1.78 -0.06 0.12 1.64 -1.08 -0.71 -4.91 116.67 109.89 3k1f s ASP 356 Ca 0.56 0.44 0.23 0.00 -0.52 0.00 0.00 52.55 53.25 3k1f s ASP 356 Cb -0.16 0.35 0.05 0.00 -1.46 0.00 0.00 42.92 41.69 3k1f s ASP 356 CO 0.21 -0.17 1.04 -0.81 0.52 0.00 0.00 175.17 175.95 3k1f n PRO 357 N 4.44 0.45 0.07 4.34 -0.04 -1.26 -3.22 135.00 139.77 3k1f n PRO 357 Ca -0.22 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3k1f n PRO 357 Cb 0.52 -1.70 0.22 0.00 -0.04 0.00 0.00 33.50 32.50 3k1f n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k1f n ASN 358 N -2.31 0.71 -2.33 3.54 3.02 -1.26 -4.47 115.26 112.16 3k1f n ASN 358 Ca 0.01 0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 3k1f n ASN 358 Cb 0.50 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 3k1f n ASN 358 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k1f n LEU 359 N -2.11 0.00 -4.83 3.41 4.77 -1.26 -5.10 117.00 111.89 3k1f n LEU 359 Ca 0.04 -0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 3k1f n LEU 359 Cb 0.43 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3k1f n LEU 359 CO 0.35 -0.74 -0.11 -1.61 -1.33 0.00 0.00 177.39 173.95 3k1f s GLU 360 N -3.35 2.67 0.11 3.23 0.41 -1.26 -4.83 118.70 115.68 3k1f s GLU 360 Ca 0.09 -1.33 -0.19 0.00 -0.41 0.00 0.00 54.97 53.14 3k1f s GLU 360 Cb -0.00 -2.42 -0.06 0.00 -1.78 0.00 0.00 34.13 29.86 3k1f s GLU 360 CO 0.07 0.12 1.66 1.25 -0.49 0.00 0.00 175.26 177.87 3k1f h LEU 361 N 1.33 0.35 -0.04 1.80 5.85 -1.96 -3.09 115.31 119.56 3k1f h LEU 361 Ca -0.45 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3k1f h LEU 361 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3k1f h LEU 361 CO 0.59 0.40 0.00 -0.90 -0.34 0.00 0.00 178.44 178.20 3k1f n ASP 362 N -4.79 0.03 -4.64 1.25 5.68 -1.26 -4.73 116.55 108.09 3k1f n ASP 362 Ca -0.03 -1.50 -0.26 0.00 -0.50 0.00 0.00 54.79 52.51 3k1f n ASP 362 Cb 0.12 -0.02 -0.09 0.00 -1.14 0.00 0.00 41.12 39.99 3k1f n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3k1f s GLN 363 N -1.96 2.05 -0.04 0.11 -0.21 -1.17 -1.07 119.66 117.37 3k1f s GLN 363 Ca 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 55.36 53.49 3k1f s GLN 363 Cb 0.00 -1.84 0.03 0.00 1.00 0.00 0.00 33.01 32.20 3k1f s GLN 363 CO 0.00 0.04 0.08 0.54 -2.12 0.00 0.00 175.29 173.83 3k1f s VAL 364 N -2.59 -0.09 -0.40 1.09 0.11 0.37 -4.45 120.40 114.43 3k1f s VAL 364 Ca 0.36 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.41 3k1f s VAL 364 Cb 0.03 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.74 3k1f s VAL 364 CO 0.19 0.11 1.02 -0.83 -3.33 0.00 0.00 175.10 172.27 3k1f s GLY 365 N 1.50 1.47 -0.16 6.54 0.00 0.02 -1.64 107.32 115.05 3k1f s GLY 365 Ca -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 3k1f s GLY 365 CO -0.04 2.19 -0.08 0.14 0.00 0.00 0.00 173.10 175.31 3k1f s VAL 366 N 3.84 3.43 0.46 1.40 1.01 -0.28 -1.66 120.40 128.61 3k1f s VAL 366 Ca 0.42 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 3k1f s VAL 366 Cb -0.10 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 3k1f s VAL 366 CO 0.23 0.49 1.38 -2.84 0.00 0.00 0.00 175.10 174.36 3k1f s PRO 367 N 0.62 3.62 0.43 2.72 0.02 -1.26 -1.08 135.00 140.07 3k1f s PRO 367 Ca -0.05 2.31 0.20 0.00 0.02 0.00 0.00 61.00 63.49 3k1f s PRO 367 Cb -0.15 -2.58 1.16 0.00 0.02 0.00 0.00 34.50 32.95 3k1f s PRO 367 CO 0.03 -0.83 1.83 -0.22 -0.33 0.00 0.00 177.00 177.47 3k1f h LYS 368 N 2.19 0.33 0.00 5.54 3.64 -1.66 0.29 116.57 126.90 3k1f h LYS 368 Ca -0.51 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 3k1f h LYS 368 Cb 1.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3k1f h LYS 368 CO 0.60 0.22 -0.21 0.66 -2.27 0.00 0.00 179.45 178.45 3k1f h SER 369 N 0.34 0.00 0.40 4.20 4.64 -1.91 -0.67 113.55 120.55 3k1f h SER 369 Ca 0.51 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.53 3k1f h SER 369 Cb 1.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.44 3k1f h SER 369 CO -0.19 0.21 -1.83 -0.38 -0.87 0.00 0.00 176.83 173.77 3k1f n ILE 370 N -3.36 1.58 -0.09 0.95 5.41 -0.07 -3.72 119.36 120.05 3k1f n ILE 370 Ca 0.00 -0.80 -0.11 0.00 1.00 0.00 0.00 62.75 62.84 3k1f n ILE 370 Cb 0.43 -0.96 -0.03 0.00 -0.71 0.00 0.00 39.64 38.37 3k1f n ILE 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f h ALA 371 N 0.98 0.38 0.00 -1.39 0.00 -0.85 0.93 119.26 119.31 3k1f h ALA 371 Ca -0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3k1f h ALA 371 Cb 2.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3k1f h ALA 371 CO 0.07 0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.01 3k1f n LYS 372 N -4.66 0.21 -0.08 0.00 5.02 -0.28 -1.29 118.16 117.08 3k1f n LYS 372 Ca -0.03 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 3k1f n LYS 372 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3k1f n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3k1f n THR 373 N -1.35 1.35 -2.16 -0.18 -1.04 -1.03 -4.95 114.28 104.91 3k1f n THR 373 Ca 0.09 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 3k1f n THR 373 Cb 0.19 -2.03 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 3k1f n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3k1f s LEU 374 N -7.50 4.40 -0.04 -4.42 1.43 0.29 -4.99 118.68 107.86 3k1f s LEU 374 Ca -0.26 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.30 3k1f s LEU 374 Cb 0.07 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.69 3k1f s LEU 374 CO 0.36 -0.59 -0.08 0.28 0.23 0.00 0.00 176.35 176.55 3k1f s THR 375 N 0.28 0.74 -0.20 5.49 -1.32 -1.26 -2.07 115.64 117.30 3k1f s THR 375 Ca 0.59 -0.28 -0.13 0.00 -1.21 0.00 0.00 61.69 60.66 3k1f s THR 375 Cb -0.38 -0.70 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 3k1f s THR 375 CO 0.38 0.25 0.25 -0.47 -2.21 0.00 0.00 174.62 172.82 3k1f s TYR 376 N 0.57 3.38 -0.44 9.09 5.04 -0.24 -4.88 117.35 129.87 3k1f s TYR 376 Ca -0.09 0.44 -0.26 0.00 -2.44 0.00 0.00 57.07 54.72 3k1f s TYR 376 Cb -0.12 -2.34 0.02 0.00 0.35 0.00 0.00 41.96 39.87 3k1f s TYR 376 CO 0.01 0.12 0.97 -1.25 -1.34 0.00 0.00 175.55 174.06 3k1f s PRO 377 N 0.88 3.66 0.25 4.97 0.05 -1.26 -1.43 135.00 142.11 3k1f s PRO 377 Ca 0.13 0.37 0.03 0.00 0.05 0.00 0.00 61.00 61.57 3k1f s PRO 377 Cb -0.13 -3.89 -0.03 0.00 0.05 0.00 0.00 34.50 30.50 3k1f s PRO 377 CO 0.04 -1.17 0.40 -2.00 0.05 0.00 0.00 177.00 174.32 3k1f s GLU 378 N 3.80 3.46 -0.01 4.56 2.12 -0.44 -4.88 118.70 127.31 3k1f s GLU 378 Ca 0.39 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.99 3k1f s GLU 378 Cb -0.10 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 3k1f s GLU 378 CO 0.25 0.37 0.39 0.08 -0.54 0.00 0.00 175.26 175.82 3k1f s VAL 379 N -2.01 5.06 -0.69 3.70 1.01 -1.26 -1.13 120.40 125.08 3k1f s VAL 379 Ca 0.36 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.88 3k1f s VAL 379 Cb -0.10 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3k1f s VAL 379 CO 0.31 0.57 1.46 -0.69 0.00 0.00 0.00 175.10 176.74 3k1f s VAL 380 N -0.98 3.62 0.12 2.92 1.01 0.28 -4.93 120.40 122.44 3k1f s VAL 380 Ca 0.23 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.68 3k1f s VAL 380 Cb -0.16 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 3k1f s VAL 380 CO 0.13 -1.53 -0.24 0.42 0.00 0.00 0.00 175.10 173.87 3k1f s THR 381 N 6.73 2.04 0.28 3.92 -4.23 -1.26 -0.34 115.64 122.78 3k1f s THR 381 Ca 0.46 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3k1f s THR 381 Cb -0.10 -1.83 0.28 0.00 1.34 0.00 0.00 72.50 72.19 3k1f s THR 381 CO 0.17 0.00 1.89 1.55 -0.54 0.00 0.00 174.62 177.70 3k1f h PRO 382 N 3.88 1.06 0.00 3.99 0.13 -1.99 0.43 132.00 139.51 3k1f h PRO 382 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3k1f h PRO 382 Cb 1.18 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3k1f h PRO 382 CO 0.40 0.70 0.19 1.88 -0.23 0.00 0.00 178.00 180.94 3k1f h TYR 383 N 1.09 0.00 0.00 1.56 -1.99 -1.98 -3.09 116.97 112.56 3k1f h TYR 383 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3k1f h TYR 383 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3k1f h TYR 383 CO -0.00 0.00 -0.25 0.27 -0.00 0.00 0.00 178.16 178.18 3k1f n ASN 384 N -2.72 0.00 -0.28 3.88 0.23 -0.79 -4.94 115.26 110.64 3k1f n ASN 384 Ca -0.02 -1.49 0.04 0.00 -0.53 0.00 0.00 54.58 52.58 3k1f n ASN 384 Cb 0.24 -0.10 0.26 0.00 -2.08 0.00 0.00 39.78 38.10 3k1f n ASN 384 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3k1f h ILE 385 N 5.53 1.06 -0.11 1.53 -0.00 -0.85 -1.58 117.51 123.09 3k1f h ILE 385 Ca 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 64.86 64.50 3k1f h ILE 385 Cb 1.20 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.82 38.00 3k1f h ILE 385 CO 0.00 0.18 -0.02 0.44 -0.00 0.00 0.00 178.15 178.75 3k1f h ASP 386 N 0.99 0.20 -0.20 2.19 3.32 -1.87 -1.27 116.42 119.78 3k1f h ASP 386 Ca 0.37 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3k1f h ASP 386 Cb 0.20 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3k1f h ASP 386 CO -0.14 0.50 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.79 3k1f h ARG 387 N -0.10 0.05 -0.71 3.56 2.43 -1.88 -1.75 114.38 115.98 3k1f h ARG 387 Ca 0.03 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3k1f h ARG 387 Cb 0.41 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3k1f h ARG 387 CO 0.01 0.04 0.30 -0.07 -1.51 0.00 0.00 179.97 178.74 3k1f h LEU 388 N 0.06 0.94 -0.82 3.80 3.38 -1.23 -1.06 115.31 120.39 3k1f h LEU 388 Ca 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3k1f h LEU 388 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3k1f h LEU 388 CO -0.17 0.83 0.35 0.74 0.09 0.00 0.00 178.44 180.29 3k1f h THR 389 N 1.02 1.26 -0.44 0.22 2.02 -0.95 -1.60 112.91 114.44 3k1f h THR 389 Ca 0.24 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.50 3k1f h THR 389 Cb 0.16 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3k1f h THR 389 CO -0.02 0.33 -0.26 -0.61 0.37 0.00 0.00 175.52 175.32 3k1f h GLN 390 N 1.18 0.94 -0.66 6.66 5.75 -0.72 -1.46 115.11 126.80 3k1f h GLN 390 Ca 0.28 -0.42 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 3k1f h GLN 390 Cb 0.18 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3k1f h GLN 390 CO -0.03 1.08 0.40 -0.07 -2.65 0.00 0.00 178.83 177.56 3k1f h LEU 391 N 0.80 0.79 -1.58 -2.39 3.38 -1.01 -0.56 115.31 114.73 3k1f h LEU 391 Ca 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3k1f h LEU 391 Cb 0.83 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3k1f h LEU 391 CO 0.07 0.61 -0.14 0.58 0.09 0.00 0.00 178.44 179.66 3k1f h VAL 392 N 0.89 1.14 0.10 1.22 2.07 -1.14 -1.97 116.25 118.56 3k1f h VAL 392 Ca 0.24 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3k1f h VAL 392 Cb -0.03 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3k1f h VAL 392 CO -0.04 0.19 -0.05 -0.09 0.02 0.00 0.00 177.57 177.60 3k1f h ARG 393 N 0.09 -0.12 -0.45 1.57 9.65 -0.45 -3.30 114.38 121.37 3k1f h ARG 393 Ca 0.02 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.04 3k1f h ARG 393 Cb 0.31 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 3k1f h ARG 393 CO 0.02 0.38 0.37 -0.91 2.80 0.00 0.00 179.97 182.63 3k1f h ASN 394 N -0.73 0.00 0.00 -3.80 -0.26 -0.81 -3.46 115.58 106.52 3k1f h ASN 394 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3k1f h ASN 394 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 3k1f h ASN 394 CO 0.02 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.00 3k1f n GLY 395 N -1.57 -0.84 0.05 2.83 0.00 -0.77 -3.73 105.19 101.16 3k1f n GLY 395 Ca 0.08 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 45.04 3k1f n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1f n PRO 396 N 0.00 0.30 -0.07 1.61 -0.04 -1.17 -1.52 135.00 134.10 3k1f n PRO 396 Ca 0.00 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 3k1f n PRO 396 Cb 0.00 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.67 3k1f n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k1f n ASN 397 N -2.07 0.83 -4.64 3.54 4.13 -1.26 -4.89 115.26 110.90 3k1f n ASN 397 Ca 0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 3k1f n ASN 397 Cb 0.44 1.02 -0.02 0.00 -1.54 0.00 0.00 39.78 39.68 3k1f n ASN 397 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3k1f s GLU 398 N -2.51 3.96 0.05 3.52 -6.30 -1.24 -4.94 118.70 111.23 3k1f s GLU 398 Ca -0.08 1.41 -0.09 0.00 -2.50 0.00 0.00 54.97 53.71 3k1f s GLU 398 Cb 0.06 -3.89 -0.02 0.00 0.00 0.00 0.00 34.13 30.28 3k1f s GLU 398 CO 0.70 -1.07 0.67 1.58 0.02 0.00 0.00 175.26 177.16 3k1f n HIS 399 N 7.56 -0.13 -2.56 5.30 -0.00 -1.26 -2.90 115.22 121.23 3k1f n HIS 399 Ca 0.15 0.38 -0.41 0.00 -0.00 0.00 0.00 57.72 57.84 3k1f n HIS 399 Cb 0.46 -0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 29.99 3k1f n HIS 399 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3k1f s PRO 400 N -4.34 3.52 0.00 1.57 0.05 -1.26 -4.89 135.00 129.66 3k1f s PRO 400 Ca -0.04 -0.98 0.00 0.00 0.05 0.00 0.00 61.00 60.03 3k1f s PRO 400 Cb 0.03 -5.17 0.00 0.00 0.05 0.00 0.00 34.50 29.42 3k1f s PRO 400 CO 0.19 -2.20 0.00 0.41 0.05 0.00 0.00 177.00 175.45 3k1f n GLY 401 N 6.64 2.50 3.25 0.56 0.00 -1.14 -4.68 105.19 112.32 3k1f n GLY 401 Ca 0.28 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 3k1f n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f s ALA 402 N -1.24 1.55 -0.27 4.61 0.00 -0.58 -1.21 121.76 124.62 3k1f s ALA 402 Ca 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 3k1f s ALA 402 Cb 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 23.12 22.92 3k1f s ALA 402 CO 0.00 0.07 -0.27 1.63 0.00 0.00 0.00 175.76 177.18 3k1f n LYS 403 N 0.31 0.60 -4.23 0.00 5.02 -0.24 -3.04 118.16 116.59 3k1f n LYS 403 Ca -0.14 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 3k1f n LYS 403 Cb 0.58 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 3k1f n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3k1f s TYR 404 N -2.50 1.15 -0.25 2.13 1.51 -1.19 -1.76 117.35 116.43 3k1f s TYR 404 Ca -0.37 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 54.86 3k1f s TYR 404 Cb 0.13 -0.61 0.07 0.00 -0.11 0.00 0.00 41.96 41.45 3k1f s TYR 404 CO 0.52 -0.01 0.02 0.08 -1.11 0.00 0.00 175.55 175.06 3k1f s VAL 405 N -3.44 1.14 -0.10 0.71 1.01 -0.27 -1.04 120.40 118.41 3k1f s VAL 405 Ca 0.16 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3k1f s VAL 405 Cb 0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3k1f s VAL 405 CO -0.01 -0.33 0.54 -0.63 0.00 0.00 0.00 175.10 174.67 3k1f s ILE 406 N 1.54 5.15 0.58 2.22 1.09 0.32 -0.91 121.20 131.19 3k1f s ILE 406 Ca 0.01 1.09 -0.00 0.00 -1.10 0.00 0.00 60.65 60.65 3k1f s ILE 406 Cb -0.18 -3.88 0.04 0.00 -1.06 0.00 0.00 42.46 37.38 3k1f s ILE 406 CO -0.12 0.31 0.82 -0.13 -0.10 0.00 0.00 174.94 175.72 3k1f s ARG 407 N 0.67 2.46 0.43 2.79 0.52 -0.04 -0.33 118.95 125.45 3k1f s ARG 407 Ca 0.29 -0.69 0.13 0.00 -0.52 0.00 0.00 55.73 54.94 3k1f s ARG 407 Cb -0.16 -2.42 0.99 0.00 0.52 0.00 0.00 34.95 33.88 3k1f s ARG 407 CO 0.12 -0.83 1.98 0.38 0.02 0.00 0.00 175.30 176.98 3k1f h ASP 408 N -0.07 0.40 0.00 0.23 2.03 -1.88 -1.52 116.42 115.61 3k1f h ASP 408 Ca -0.42 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 3k1f h ASP 408 Cb 1.30 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3k1f h ASP 408 CO 0.54 0.25 0.00 -1.54 -1.03 0.00 0.00 179.24 177.45 3k1f n SER 409 N -4.47 0.00 0.00 4.15 3.41 -1.26 -4.86 113.62 110.58 3k1f n SER 409 Ca 0.09 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 3k1f n SER 409 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3k1f n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1f n GLY 410 N 0.26 0.66 3.73 5.00 0.00 -0.57 -5.00 105.19 109.27 3k1f n GLY 410 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3k1f n GLY 410 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1f s ASP 411 N -2.56 7.51 -0.15 1.61 1.11 -1.26 -4.83 116.67 118.10 3k1f s ASP 411 Ca 0.00 1.87 -0.01 0.00 0.18 0.00 0.00 52.55 54.59 3k1f s ASP 411 Cb 0.00 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 3k1f s ASP 411 CO 0.00 -0.03 -0.12 -0.60 1.18 0.00 0.00 175.17 175.60 3k1f s ARG 412 N -0.34 3.32 -0.25 8.23 3.52 -1.26 -0.86 118.95 131.31 3k1f s ARG 412 Ca 0.46 -0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 55.24 3k1f s ARG 412 Cb -0.25 -2.69 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 3k1f s ARG 412 CO 0.31 0.07 0.25 0.42 -0.81 0.00 0.00 175.30 175.54 3k1f s ILE 413 N 0.71 5.28 -0.77 4.11 1.01 -0.09 -4.96 121.20 126.49 3k1f s ILE 413 Ca -0.06 0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.70 3k1f s ILE 413 Cb -0.15 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.80 3k1f s ILE 413 CO 0.02 0.27 1.12 -0.62 0.00 0.00 0.00 174.94 175.73 3k1f s ASP 414 N 1.35 6.29 0.55 3.58 -1.08 -1.26 -1.12 116.67 124.97 3k1f s ASP 414 Ca 0.11 -1.11 0.45 0.00 -0.52 0.00 0.00 52.55 51.48 3k1f s ASP 414 Cb -0.15 -2.46 1.67 0.00 -1.46 0.00 0.00 42.92 40.51 3k1f s ASP 414 CO 0.08 -1.47 1.64 -0.07 0.52 0.00 0.00 175.17 175.87 3k1f h LEU 415 N 11.73 0.02 -0.11 -1.34 3.38 -1.69 -0.85 115.31 126.44 3k1f h LEU 415 Ca -0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3k1f h LEU 415 Cb 1.05 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3k1f h LEU 415 CO 1.22 -0.01 -0.34 0.08 0.09 0.00 0.00 178.44 179.47 3k1f h ARG 416 N 0.01 0.43 -0.02 1.13 0.11 -1.91 -3.19 114.38 110.94 3k1f h ARG 416 Ca 0.83 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 60.59 3k1f h ARG 416 Cb 3.26 0.05 0.00 0.00 1.11 0.00 0.00 29.97 34.40 3k1f h ARG 416 CO -0.04 0.94 0.00 0.66 0.10 0.00 0.00 179.97 181.62 3k1f n TYR 417 N -4.37 0.02 -2.69 4.08 4.02 -0.36 -4.75 117.16 113.10 3k1f n TYR 417 Ca -0.07 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.90 57.38 3k1f n TYR 417 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 3k1f n TYR 417 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3k1f s SER 418 N -1.91 6.62 0.26 7.72 0.15 -0.98 -4.94 113.70 120.62 3k1f s SER 418 Ca 0.41 0.41 0.10 0.00 0.70 0.00 0.00 55.95 57.57 3k1f s SER 418 Cb 0.20 -2.51 0.32 0.00 -1.71 0.00 0.00 66.02 62.32 3k1f s SER 418 CO 0.33 -1.13 1.59 0.07 1.20 0.00 0.00 173.24 175.31 3k1f h LYS 419 N 9.03 0.00 -0.84 5.44 2.10 -1.87 -3.18 116.57 127.25 3k1f h LYS 419 Ca -0.23 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 57.98 3k1f h LYS 419 Cb 1.07 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.14 3k1f h LYS 419 CO 1.08 0.64 0.47 -2.13 -2.00 0.00 0.00 179.45 177.51 3k1f n ARG 420 N -3.77 2.16 0.00 0.07 0.63 -1.26 -4.64 116.66 109.86 3k1f n ARG 420 Ca -0.01 -3.07 0.00 0.00 -0.92 0.00 0.00 57.85 53.85 3k1f n ARG 420 Cb 0.64 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.45 3k1f n ARG 420 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k1f n ALA 421 N -1.14 2.21 -1.94 5.13 0.00 -1.20 -2.38 120.51 121.19 3k1f n ALA 421 Ca 0.53 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.99 3k1f n ALA 421 Cb 1.49 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 3k1f n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1f n GLY 422 N 0.20 4.02 0.00 0.00 0.00 -1.26 -4.49 105.19 103.66 3k1f n GLY 422 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3k1f n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k1f n ASP 423 N -0.62 0.00 -3.13 1.61 -0.08 -1.10 -5.12 116.55 108.11 3k1f n ASP 423 Ca 0.18 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.02 3k1f n ASP 423 Cb 0.85 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.24 3k1f n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3k1f n ILE 424 N -0.32 0.00 -3.83 5.18 5.41 -1.00 -4.96 119.36 119.84 3k1f n ILE 424 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 3k1f n ILE 424 Cb 0.00 -0.20 -0.05 0.00 -0.71 0.00 0.00 39.64 38.67 3k1f n ILE 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f s GLN 425 N 1.22 3.51 0.14 0.38 0.00 -1.26 -5.02 119.66 118.64 3k1f s GLN 425 Ca 0.67 -0.13 0.05 0.00 -0.00 0.00 0.00 55.36 55.94 3k1f s GLN 425 Cb -0.95 -3.13 -0.04 0.00 0.00 0.00 0.00 33.01 28.89 3k1f s GLN 425 CO 0.49 0.71 0.11 -0.51 0.00 0.00 0.00 175.29 176.08 3k1f s LEU 426 N -1.50 3.75 -0.00 2.60 1.43 -1.26 -5.13 118.68 118.57 3k1f s LEU 426 Ca 0.23 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3k1f s LEU 426 Cb -0.13 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3k1f s LEU 426 CO 0.12 0.10 0.01 -1.10 0.23 0.00 0.00 176.35 175.71 3k1f s GLN 427 N -2.89 0.01 0.50 1.70 -1.52 -1.26 -5.15 119.66 111.04 3k1f s GLN 427 Ca 0.30 0.02 -0.19 0.00 -1.95 0.00 0.00 55.36 53.54 3k1f s GLN 427 Cb -0.11 -0.01 -0.13 0.00 -0.22 0.00 0.00 33.01 32.55 3k1f s GLN 427 CO 0.22 -0.01 0.23 0.66 -0.25 0.00 0.00 175.29 176.15 3k1f n TYR 428 N 3.13 -1.66 -0.96 0.91 0.53 -1.26 -3.32 117.16 114.52 3k1f n TYR 428 Ca -0.13 0.50 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 3k1f n TYR 428 Cb 0.59 -1.84 0.00 0.00 -1.03 0.00 0.00 39.34 37.07 3k1f n TYR 428 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3k1f n GLY 429 N 2.12 0.98 3.93 2.72 0.00 0.53 -4.93 105.19 110.55 3k1f n GLY 429 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3k1f n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k1f s TRP 430 N -3.84 2.02 -0.10 1.61 0.51 -1.21 -4.60 118.94 113.33 3k1f s TRP 430 Ca 0.00 0.33 0.04 0.00 -2.12 0.00 0.00 56.10 54.34 3k1f s TRP 430 Cb 0.00 -3.72 -0.00 0.00 -0.81 0.00 0.00 33.47 28.94 3k1f s TRP 430 CO 0.00 -2.19 -0.23 0.15 -0.51 0.00 0.00 176.95 174.16 3k1f s LYS 431 N -5.64 3.06 -0.42 4.98 1.02 0.56 -0.56 119.74 122.74 3k1f s LYS 431 Ca 0.69 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.75 3k1f s LYS 431 Cb -0.06 -2.31 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 3k1f s LYS 431 CO 0.50 0.19 0.23 0.08 -0.92 0.00 0.00 175.35 175.43 3k1f s VAL 432 N 0.33 3.66 -0.68 3.17 1.01 -0.29 -0.52 120.40 127.08 3k1f s VAL 432 Ca -0.18 -1.82 -0.26 0.00 0.00 0.00 0.00 61.98 59.71 3k1f s VAL 432 Cb -0.18 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3k1f s VAL 432 CO 0.09 -0.64 1.70 -1.61 0.00 0.00 0.00 175.10 174.64 3k1f s GLU 433 N 1.25 2.80 0.15 2.72 2.02 -0.20 -1.32 118.70 126.12 3k1f s GLU 433 Ca 0.06 0.26 0.04 0.00 0.02 0.00 0.00 54.97 55.35 3k1f s GLU 433 Cb -0.23 -4.42 -0.04 0.00 0.10 0.00 0.00 34.13 29.54 3k1f s GLU 433 CO -0.02 -2.61 0.19 -0.98 0.02 0.00 0.00 175.26 171.86 3k1f s ARG 434 N 6.63 3.13 0.93 1.61 1.04 -0.52 -1.08 118.95 130.70 3k1f s ARG 434 Ca 0.58 -0.74 -0.12 0.00 -1.04 0.00 0.00 55.73 54.41 3k1f s ARG 434 Cb -0.11 -2.79 0.06 0.00 -2.04 0.00 0.00 34.95 30.08 3k1f s ARG 434 CO 0.17 0.51 0.62 0.72 -0.04 0.00 0.00 175.30 177.27 3k1f n HIS 435 N -0.35 -0.78 -1.95 5.89 8.25 -0.35 -1.08 115.22 124.84 3k1f n HIS 435 Ca -0.08 0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 57.28 3k1f n HIS 435 Cb 0.54 -1.85 -0.03 0.00 1.12 0.00 0.00 29.99 29.77 3k1f n HIS 435 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1f s ILE 436 N -2.44 3.31 0.79 1.59 -1.09 -0.41 -4.59 121.20 118.36 3k1f s ILE 436 Ca 0.60 0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 59.12 3k1f s ILE 436 Cb -0.22 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 3k1f s ILE 436 CO 0.64 -0.69 1.09 -0.32 -1.23 0.00 0.00 174.94 174.44 3k1f s MET 437 N 7.04 2.16 0.45 2.79 1.75 -1.26 -4.86 119.30 127.36 3k1f s MET 437 Ca 0.74 1.07 -0.24 0.00 -1.25 0.00 0.00 55.69 56.01 3k1f s MET 437 Cb -0.15 -1.89 -0.07 0.00 2.84 0.00 0.00 34.83 35.55 3k1f s MET 437 CO 0.23 -1.68 1.26 -0.51 -0.65 0.00 0.00 175.02 173.67 3k1f s ASP 438 N -3.46 6.05 -1.40 1.11 1.11 -1.26 -3.35 116.67 115.48 3k1f s ASP 438 Ca 0.61 2.54 0.00 0.00 0.18 0.00 0.00 52.55 55.89 3k1f s ASP 438 Cb -0.17 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.20 3k1f s ASP 438 CO 0.56 -1.02 0.00 0.59 1.18 0.00 0.00 175.17 176.48 3k1f n ASN 439 N -0.32 -4.57 -4.70 0.27 4.13 0.11 -4.93 115.26 105.24 3k1f n ASN 439 Ca 0.06 0.23 -0.40 0.00 1.68 0.00 0.00 54.58 56.15 3k1f n ASN 439 Cb 0.45 -3.45 -0.04 0.00 -1.54 0.00 0.00 39.78 35.20 3k1f n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3k1f s ASP 440 N -2.69 6.99 0.50 6.41 1.01 -1.21 -4.59 116.67 123.08 3k1f s ASP 440 Ca 0.00 1.20 -0.22 0.00 0.71 0.00 0.00 52.55 54.24 3k1f s ASP 440 Cb 0.00 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 3k1f s ASP 440 CO 0.00 -0.21 1.21 -2.16 0.21 0.00 0.00 175.17 174.22 3k1f s PRO 441 N 1.23 3.51 0.07 8.23 0.04 -1.26 -2.35 135.00 144.46 3k1f s PRO 441 Ca 0.38 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 3k1f s PRO 441 Cb -0.18 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3k1f s PRO 441 CO 0.17 -0.79 0.12 0.14 0.04 0.00 0.00 177.00 176.68 3k1f s VAL 442 N -1.52 0.16 -0.51 -0.36 -7.23 -0.42 -4.49 120.40 106.04 3k1f s VAL 442 Ca 0.68 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 3k1f s VAL 442 Cb -0.31 -1.34 0.11 0.00 0.56 0.00 0.00 36.38 35.40 3k1f s VAL 442 CO 0.37 -0.75 0.44 -0.22 -0.31 0.00 0.00 175.10 174.63 3k1f s LEU 443 N -2.79 5.92 -0.32 1.32 0.20 -0.46 -0.83 118.68 121.72 3k1f s LEU 443 Ca 0.04 -1.67 -0.13 0.00 0.69 0.00 0.00 54.13 53.06 3k1f s LEU 443 Cb 0.05 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.62 3k1f s LEU 443 CO -0.10 -0.76 0.27 0.12 -0.29 0.00 0.00 176.35 175.59 3k1f s PHE 444 N 1.57 3.22 0.10 5.38 5.36 -0.54 -0.93 117.98 132.14 3k1f s PHE 444 Ca 0.04 -0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 3k1f s PHE 444 Cb -0.28 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.86 3k1f s PHE 444 CO 0.03 -0.31 -0.07 0.54 -1.46 0.00 0.00 175.22 173.96 3k1f s ASN 445 N 1.73 1.14 -0.06 6.13 4.22 -0.40 -2.94 114.94 124.76 3k1f s ASN 445 Ca 0.09 -1.00 0.05 0.00 -2.14 0.00 0.00 52.86 49.85 3k1f s ASN 445 Cb -0.17 0.09 -0.00 0.00 1.28 0.00 0.00 41.25 42.45 3k1f s ASN 445 CO 0.11 -0.46 -0.20 -0.60 -2.04 0.00 0.00 177.10 173.91 3k1f s ARG 446 N -3.82 2.14 0.01 3.55 3.52 -0.67 -1.33 118.95 122.35 3k1f s ARG 446 Ca 0.12 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 3k1f s ARG 446 Cb 0.05 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.61 3k1f s ARG 446 CO -0.05 0.26 1.02 -0.65 -0.81 0.00 0.00 175.30 175.07 3k1f s GLN 447 N 0.07 4.53 0.01 5.12 -1.52 -1.26 -3.35 119.66 123.27 3k1f s GLN 447 Ca -0.07 1.48 -0.24 0.00 -1.95 0.00 0.00 55.36 54.59 3k1f s GLN 447 Cb -0.13 -3.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 3k1f s GLN 447 CO 0.04 -0.10 0.73 -1.25 -0.25 0.00 0.00 175.29 174.45 3k1f s PRO 448 N 1.05 4.45 -1.35 2.91 0.04 -1.26 -5.08 135.00 135.77 3k1f s PRO 448 Ca 0.53 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 3k1f s PRO 448 Cb -0.22 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 30.99 3k1f s PRO 448 CO 0.28 0.25 1.93 0.43 0.04 0.00 0.00 177.00 179.93 3k1f n SER 449 N 3.00 4.45 0.10 6.66 7.64 -1.21 -4.78 113.62 129.48 3k1f n SER 449 Ca -0.03 -2.88 -0.05 0.00 1.01 0.00 0.00 58.87 56.92 3k1f n SER 449 Cb 0.51 -1.71 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 3k1f n SER 449 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3k1f h LEU 450 N 11.74 0.11 -7.85 -3.43 3.38 -1.95 -3.47 115.31 113.85 3k1f h LEU 450 Ca 0.49 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.23 3k1f h LEU 450 Cb 0.78 -0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.30 3k1f h LEU 450 CO 1.62 0.84 -0.56 -1.38 0.09 0.00 0.00 178.44 179.05 3k1f s HIS 451 N -3.32 0.14 0.07 1.13 -3.43 -1.26 -4.54 115.29 104.08 3k1f s HIS 451 Ca -0.02 -0.32 -0.07 0.00 -0.80 0.00 0.00 55.06 53.85 3k1f s HIS 451 Cb 0.11 -0.11 0.06 0.00 -1.43 0.00 0.00 32.58 31.21 3k1f s HIS 451 CO 0.80 -0.27 0.51 1.17 -2.00 0.00 0.00 174.74 174.95 3k1f n LYS 452 N 1.38 -0.09 -0.27 -0.38 4.81 -1.26 -0.41 118.16 121.94 3k1f n LYS 452 Ca -0.23 0.51 0.21 0.00 -0.87 0.00 0.00 58.31 57.94 3k1f n LYS 452 Cb 0.56 -0.75 0.53 0.00 0.02 0.00 0.00 35.03 35.38 3k1f n LYS 452 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 3k1f h MET 453 N 0.00 0.37 0.00 1.64 2.86 -1.97 -1.95 114.93 115.88 3k1f h MET 453 Ca 0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3k1f h MET 453 Cb 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3k1f h MET 453 CO -0.33 0.24 0.00 0.43 1.06 0.00 0.00 176.91 178.32 3k1f n SER 454 N -4.52 0.14 -3.79 1.22 7.64 0.46 -3.95 113.62 110.81 3k1f n SER 454 Ca 0.21 0.55 -0.29 0.00 1.01 0.00 0.00 58.87 60.35 3k1f n SER 454 Cb 0.78 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 3k1f n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3k1f s MET 455 N -3.10 1.65 0.18 1.43 1.00 -0.73 -1.67 119.30 118.05 3k1f s MET 455 Ca 0.02 -2.41 0.08 0.00 0.00 0.00 0.00 55.69 53.38 3k1f s MET 455 Cb 0.04 -2.72 -0.04 0.00 0.00 0.00 0.00 34.83 32.11 3k1f s MET 455 CO 0.14 -1.18 -0.03 -1.64 0.00 0.00 0.00 175.02 172.30 3k1f s MET 456 N -0.15 2.28 -0.25 2.03 1.00 -1.15 -5.00 119.30 118.06 3k1f s MET 456 Ca 0.20 -1.19 -0.13 0.00 0.00 0.00 0.00 55.69 54.57 3k1f s MET 456 Cb -0.19 -2.27 -0.05 0.00 0.00 0.00 0.00 34.83 32.32 3k1f s MET 456 CO -0.04 0.44 0.26 0.00 0.00 0.00 0.00 175.02 175.68 3k1f s ALA 457 N -1.78 3.57 0.46 3.03 0.00 -0.37 -1.46 121.76 125.21 3k1f s ALA 457 Ca 0.27 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3k1f s ALA 457 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 3k1f s ALA 457 CO 0.18 -0.42 0.21 -1.01 0.00 0.00 0.00 175.76 174.71 3k1f s HIS 458 N 1.54 2.24 -0.02 0.00 3.76 -0.01 -1.90 115.29 120.91 3k1f s HIS 458 Ca 0.11 -0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3k1f s HIS 458 Cb -0.15 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 3k1f s HIS 458 CO 0.08 0.02 0.11 0.50 -0.85 0.00 0.00 174.74 174.60 3k1f s ARG 459 N -4.00 3.20 0.07 1.40 3.52 -0.23 -1.30 118.95 121.61 3k1f s ARG 459 Ca 0.34 -0.40 -0.26 0.00 -0.13 0.00 0.00 55.73 55.28 3k1f s ARG 459 Cb 0.02 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.40 3k1f s ARG 459 CO 0.19 0.67 0.79 0.08 -0.81 0.00 0.00 175.30 176.22 3k1f s VAL 460 N -1.19 4.64 -0.31 7.11 1.01 -0.99 -0.48 120.40 130.19 3k1f s VAL 460 Ca 0.22 1.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 3k1f s VAL 460 Cb -0.12 -4.14 0.11 0.00 0.00 0.00 0.00 36.38 32.23 3k1f s VAL 460 CO 0.13 0.39 0.16 -0.75 0.00 0.00 0.00 175.10 175.03 3k1f s LYS 461 N -0.24 0.36 -0.15 2.72 2.36 -0.65 -0.71 119.74 123.43 3k1f s LYS 461 Ca 0.39 -0.86 -0.29 0.00 -2.55 0.00 0.00 55.97 52.66 3k1f s LYS 461 Cb -0.21 -1.28 -0.05 0.00 -1.05 0.00 0.00 37.83 35.24 3k1f s LYS 461 CO 0.24 -1.08 1.78 0.08 1.55 0.00 0.00 175.35 177.92 3k1f s VAL 462 N 1.69 3.45 0.13 4.02 1.01 -1.26 -1.12 120.40 128.32 3k1f s VAL 462 Ca 0.12 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.69 3k1f s VAL 462 Cb -0.19 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3k1f s VAL 462 CO -0.23 -0.16 -0.16 0.27 0.00 0.00 0.00 175.10 174.82 3k1f s ILE 463 N 5.38 1.50 1.00 2.22 -5.25 -0.24 -4.90 121.20 120.91 3k1f s ILE 463 Ca 0.79 -1.76 -0.17 0.00 -0.99 0.00 0.00 60.65 58.53 3k1f s ILE 463 Cb -0.31 -1.62 0.22 0.00 2.95 0.00 0.00 42.46 43.71 3k1f s ILE 463 CO 0.32 -0.36 1.31 -2.16 -1.79 0.00 0.00 174.94 172.27 3k1f s PRO 464 N -2.64 0.31 0.13 0.37 0.04 -1.26 -1.69 135.00 130.26 3k1f s PRO 464 Ca 0.11 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.72 3k1f s PRO 464 Cb -0.06 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3k1f s PRO 464 CO 0.04 -2.64 0.00 0.66 0.04 0.00 0.00 177.00 175.10 3k1f n TYR 465 N -3.92 -2.33 0.30 0.56 4.02 -1.26 -4.81 117.16 109.73 3k1f n TYR 465 Ca 0.16 1.32 0.05 0.00 -0.01 0.00 0.00 57.90 59.42 3k1f n TYR 465 Cb 0.59 -2.69 0.18 0.00 -0.02 0.00 0.00 39.34 37.40 3k1f n TYR 465 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3k1f h SER 466 N 1.79 0.00 -3.33 7.72 0.02 -2.00 -3.43 113.55 114.32 3k1f h SER 466 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3k1f h SER 466 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k1f h SER 466 CO 0.00 0.00 -0.07 0.42 -1.14 0.00 0.00 176.83 176.04 3k1f s THR 467 N -4.04 4.96 -0.32 -2.27 -4.23 -1.26 -4.68 115.64 103.79 3k1f s THR 467 Ca -0.01 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 3k1f s THR 467 Cb 0.03 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.13 3k1f s THR 467 CO 0.08 -0.40 0.96 -0.36 -0.54 0.00 0.00 174.62 174.37 3k1f s PHE 468 N -2.19 3.15 -0.64 3.99 2.99 0.69 -4.47 117.98 121.51 3k1f s PHE 468 Ca 0.46 1.01 -0.16 0.00 0.00 0.00 0.00 56.93 58.24 3k1f s PHE 468 Cb -0.11 -3.54 0.15 0.00 0.00 0.00 0.00 43.02 39.52 3k1f s PHE 468 CO 0.31 -0.72 0.62 1.03 -0.00 0.00 0.00 175.22 176.47 3k1f s ARG 469 N 3.41 3.18 0.38 0.44 0.52 -0.67 -0.63 118.95 125.58 3k1f s ARG 469 Ca 0.40 -1.85 0.04 0.00 -0.52 0.00 0.00 55.73 53.80 3k1f s ARG 469 Cb -0.13 -4.35 -0.01 0.00 0.52 0.00 0.00 34.95 30.99 3k1f s ARG 469 CO 0.15 -1.37 0.55 -0.48 0.02 0.00 0.00 175.30 174.17 3k1f s LEU 470 N 1.43 3.87 0.19 2.53 2.34 -0.96 -0.80 118.68 127.27 3k1f s LEU 470 Ca 0.09 0.06 -0.30 0.00 0.06 0.00 0.00 54.13 54.05 3k1f s LEU 470 Cb -0.23 -2.96 -0.08 0.00 -0.56 0.00 0.00 46.19 42.36 3k1f s LEU 470 CO -0.00 -0.51 1.21 0.21 -1.06 0.00 0.00 176.35 176.20 3k1f s ASN 471 N -4.17 7.07 0.23 1.48 3.84 -1.26 -1.74 114.94 120.39 3k1f s ASN 471 Ca 0.45 2.26 -0.10 0.00 0.21 0.00 0.00 52.86 55.68 3k1f s ASN 471 Cb -0.10 -2.61 0.34 0.00 -0.55 0.00 0.00 41.25 38.34 3k1f s ASN 471 CO 0.34 -0.38 1.62 0.17 -2.79 0.00 0.00 177.10 176.05 3k1f h LEU 472 N 5.17 -0.58 -1.85 3.21 8.10 -1.92 -1.23 115.31 126.22 3k1f h LEU 472 Ca -0.45 0.21 -0.01 0.00 0.11 0.00 0.00 57.88 57.75 3k1f h LEU 472 Cb 1.21 0.42 -0.00 0.00 -0.44 0.00 0.00 40.66 41.85 3k1f h LEU 472 CO 0.74 -0.22 -0.04 0.28 -4.11 0.00 0.00 178.44 175.09 3k1f h SER 473 N 0.03 0.00 -0.12 0.17 0.02 -1.91 -2.91 113.55 108.83 3k1f h SER 473 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3k1f h SER 473 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3k1f h SER 473 CO -0.73 0.04 0.00 0.55 -1.14 0.00 0.00 176.83 175.56 3k1f n VAL 474 N -3.21 0.15 0.14 2.27 3.14 -0.46 -3.82 118.33 116.54 3k1f n VAL 474 Ca -0.01 -0.25 0.01 0.00 -2.96 0.00 0.00 64.34 61.14 3k1f n VAL 474 Cb 0.25 0.19 0.13 0.00 -1.06 0.00 0.00 33.84 33.35 3k1f n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k1f h THR 475 N 1.60 1.11 -0.14 1.55 1.03 -1.59 -3.33 112.91 113.13 3k1f h THR 475 Ca 0.00 -2.19 0.05 0.00 -0.01 0.00 0.00 66.41 64.26 3k1f h THR 475 Cb 0.35 2.29 -0.05 0.00 -1.07 0.00 0.00 68.15 69.67 3k1f h THR 475 CO 0.00 0.56 -0.19 0.28 -0.01 0.00 0.00 175.52 176.15 3k1f h SER 476 N 0.00 -0.60 1.80 0.00 0.02 -1.81 0.11 113.55 113.07 3k1f h SER 476 Ca -0.01 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3k1f h SER 476 Cb 1.25 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.07 3k1f h SER 476 CO 0.07 -0.24 0.00 -0.65 -1.14 0.00 0.00 176.83 174.87 3k1f h PRO 477 N -0.24 0.00 0.00 3.45 0.11 -1.79 -3.17 132.00 130.36 3k1f h PRO 477 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3k1f h PRO 477 Cb 0.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3k1f h PRO 477 CO -0.28 0.00 -0.20 1.88 -0.21 0.00 0.00 178.00 179.19 3k1f h TYR 478 N 0.00 0.00 -6.06 0.65 -1.99 -1.59 -3.29 116.97 104.68 3k1f h TYR 478 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3k1f h TYR 478 Cb 0.90 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.69 3k1f h TYR 478 CO 0.00 0.14 -0.73 0.09 -0.00 0.00 0.00 178.16 177.66 3k1f n ASN 479 N -3.11 -5.31 -3.72 3.88 3.02 0.37 -4.86 115.26 105.52 3k1f n ASN 479 Ca 0.03 -0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 53.80 3k1f n ASN 479 Cb 0.59 -4.47 -0.11 0.00 -0.61 0.00 0.00 39.78 35.19 3k1f n ASN 479 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1f s ALA 480 N -3.33 -0.93 1.07 5.41 0.00 -1.24 -5.09 121.76 117.65 3k1f s ALA 480 Ca 0.58 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.72 3k1f s ALA 480 Cb -0.28 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.20 3k1f s ALA 480 CO 0.78 -0.21 0.35 -0.25 0.00 0.00 0.00 175.76 176.42 3k1f n ASP 481 N 3.57 -1.24 -1.50 0.00 8.00 -1.26 -4.91 116.55 119.21 3k1f n ASP 481 Ca -0.18 -0.74 -0.05 0.00 0.71 0.00 0.00 54.79 54.53 3k1f n ASP 481 Cb 0.56 -0.31 0.24 0.00 -0.02 0.00 0.00 41.12 41.59 3k1f n ASP 481 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3k1f n PHE 482 N -3.18 1.75 0.86 1.24 3.01 -1.26 -4.36 117.46 115.51 3k1f n PHE 482 Ca 0.05 -1.35 0.00 0.00 1.01 0.00 0.00 57.45 57.16 3k1f n PHE 482 Cb 0.18 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 3k1f n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3k1f n ASP 483 N -0.69 0.71 0.00 4.37 5.68 -1.26 -4.59 116.55 120.76 3k1f n ASP 483 Ca 0.37 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 3k1f n ASP 483 Cb 1.20 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 3k1f n ASP 483 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1f n GLY 484 N 0.13 1.63 3.75 6.12 0.00 -1.26 -5.10 105.19 110.46 3k1f n GLY 484 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3k1f n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1f s ASP 485 N -2.00 7.58 -0.00 1.61 1.01 -1.26 -4.90 116.67 118.70 3k1f s ASP 485 Ca 0.00 1.98 -0.02 0.00 0.71 0.00 0.00 52.55 55.22 3k1f s ASP 485 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3k1f s ASP 485 CO 0.00 0.10 0.17 -1.61 0.21 0.00 0.00 175.17 174.05 3k1f s GLU 486 N -1.28 3.39 0.00 8.23 2.02 -1.26 -0.78 118.70 129.02 3k1f s GLU 486 Ca 0.42 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.08 3k1f s GLU 486 Cb -0.26 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 3k1f s GLU 486 CO 0.32 0.67 -0.06 -1.64 0.02 0.00 0.00 175.26 174.57 3k1f s MET 487 N -1.97 0.45 0.47 1.61 -1.94 -0.43 -4.73 119.30 112.76 3k1f s MET 487 Ca 0.27 -0.26 -0.17 0.00 -1.71 0.00 0.00 55.69 53.83 3k1f s MET 487 Cb -0.13 -0.41 -0.08 0.00 2.01 0.00 0.00 34.83 36.22 3k1f s MET 487 CO 0.19 0.11 0.93 -0.80 -0.01 0.00 0.00 175.02 175.44 3k1f s ASN 488 N -0.30 6.69 -0.14 3.03 -0.87 -0.44 -3.22 114.94 119.69 3k1f s ASN 488 Ca 0.01 1.52 -0.04 0.00 -1.57 0.00 0.00 52.86 52.77 3k1f s ASN 488 Cb -0.03 -2.48 0.07 0.00 -0.02 0.00 0.00 41.25 38.79 3k1f s ASN 488 CO -0.00 -0.48 0.19 -0.22 -2.57 0.00 0.00 177.10 174.02 3k1f s LEU 489 N -3.76 -0.10 -0.10 0.60 2.96 0.30 -1.27 118.68 117.30 3k1f s LEU 489 Ca 0.58 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 3k1f s LEU 489 Cb -0.10 0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.91 3k1f s LEU 489 CO 0.26 -0.28 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.98 3k1f s HIS 490 N 2.32 3.05 -0.47 5.38 3.76 -0.11 -0.84 115.29 128.38 3k1f s HIS 490 Ca 0.04 -0.01 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 3k1f s HIS 490 Cb -0.14 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.77 3k1f s HIS 490 CO -0.09 0.27 0.57 0.08 -0.85 0.00 0.00 174.74 174.73 3k1f s VAL 491 N -0.47 4.93 0.07 -0.90 1.01 -0.54 -1.36 120.40 123.14 3k1f s VAL 491 Ca 0.08 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 3k1f s VAL 491 Cb -0.12 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 3k1f s VAL 491 CO 0.02 -0.64 1.56 -2.16 0.00 0.00 0.00 175.10 173.88 3k1f s PRO 492 N 2.52 4.23 0.26 2.72 0.04 -1.26 -4.92 135.00 138.58 3k1f s PRO 492 Ca 0.16 2.22 0.19 0.00 0.04 0.00 0.00 61.00 63.61 3k1f s PRO 492 Cb -0.17 -3.51 0.08 0.00 0.04 0.00 0.00 34.50 30.93 3k1f s PRO 492 CO 0.14 -0.66 1.26 1.96 0.04 0.00 0.00 177.00 179.74 3k1f h GLN 493 N 7.91 0.00 -6.45 4.56 7.50 -1.95 -3.45 115.11 123.24 3k1f h GLN 493 Ca -0.41 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.09 3k1f h GLN 493 Cb 1.20 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.59 3k1f h GLN 493 CO 0.92 0.21 -0.70 0.45 -1.50 0.00 0.00 178.83 178.21 3k1f s SER 494 N -5.99 4.66 0.43 1.46 0.15 -1.26 -4.56 113.70 108.59 3k1f s SER 494 Ca 0.02 -0.33 0.09 0.00 0.70 0.00 0.00 55.95 56.44 3k1f s SER 494 Cb 0.08 -0.98 0.95 0.00 -1.71 0.00 0.00 66.02 64.36 3k1f s SER 494 CO 0.75 0.16 2.08 -0.08 1.20 0.00 0.00 173.24 177.35 3k1f h GLU 495 N 3.38 0.42 0.09 5.44 4.57 -1.95 -0.00 114.58 126.52 3k1f h GLU 495 Ca -0.48 -0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 57.42 3k1f h GLU 495 Cb 1.17 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3k1f h GLU 495 CO 0.56 0.28 -1.14 1.05 -1.18 0.00 0.00 179.01 178.57 3k1f h GLU 496 N 0.43 0.27 -0.41 1.92 4.11 -1.97 -2.57 114.58 116.37 3k1f h GLU 496 Ca 0.12 -0.41 -0.09 0.00 0.07 0.00 0.00 59.36 59.05 3k1f h GLU 496 Cb -0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3k1f h GLU 496 CO -0.03 1.16 -0.11 1.15 0.07 0.00 0.00 179.01 181.25 3k1f h THR 497 N 0.10 1.28 -0.01 -1.06 2.02 -1.78 -0.44 112.91 113.02 3k1f h THR 497 Ca -0.11 -1.21 -0.16 0.00 0.77 0.00 0.00 66.41 65.69 3k1f h THR 497 Cb 1.85 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 3k1f h THR 497 CO 0.19 0.41 -0.76 0.08 0.37 0.00 0.00 175.52 175.80 3k1f h ARG 498 N 0.61 0.07 -0.57 6.66 0.11 -1.13 -2.75 114.38 117.38 3k1f h ARG 498 Ca 0.10 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 3k1f h ARG 498 Cb 0.64 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 3k1f h ARG 498 CO 0.04 0.80 0.20 0.00 0.10 0.00 0.00 179.97 181.11 3k1f h ALA 499 N 1.18 1.28 -0.02 0.08 0.00 -1.18 -0.27 119.26 120.33 3k1f h ALA 499 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k1f h ALA 499 Cb 1.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3k1f h ALA 499 CO 0.11 0.52 0.01 0.93 0.00 0.00 0.00 179.25 180.82 3k1f h GLU 500 N 0.83 0.02 -0.90 0.00 5.08 -0.96 -0.43 114.58 118.23 3k1f h GLU 500 Ca 0.19 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3k1f h GLU 500 Cb 0.20 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3k1f h GLU 500 CO -0.01 0.19 0.58 -0.07 -1.00 0.00 0.00 179.01 178.70 3k1f h LEU 501 N -0.15 0.88 0.07 1.33 3.38 -1.08 -0.89 115.31 118.85 3k1f h LEU 501 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k1f h LEU 501 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k1f h LEU 501 CO -0.00 0.55 -0.03 0.77 0.09 0.00 0.00 178.44 179.82 3k1f h SER 502 N 0.99 -0.08 -0.38 -0.43 4.64 -0.86 -1.59 113.55 115.85 3k1f h SER 502 Ca 0.39 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3k1f h SER 502 Cb 0.24 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3k1f h SER 502 CO -0.15 0.53 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 3k1f n GLN 503 N -4.84 3.02 0.15 4.77 1.13 -0.19 -4.17 117.38 117.25 3k1f n GLN 503 Ca -0.08 -1.83 0.00 0.00 -1.94 0.00 0.00 57.00 53.14 3k1f n GLN 503 Cb 0.30 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.84 3k1f n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3k1f n LEU 504 N 0.50 -0.60 0.03 1.08 4.32 -0.35 -4.97 117.00 117.01 3k1f n LEU 504 Ca 0.16 0.54 0.13 0.00 -0.02 0.00 0.00 56.01 56.82 3k1f n LEU 504 Cb 0.71 0.78 0.33 0.00 -1.62 0.00 0.00 43.42 43.61 3k1f n LEU 504 CO 0.17 -0.68 0.59 0.00 -1.22 0.00 0.00 177.39 176.25 3k1f n ALA 506 N -1.65 0.14 -0.28 0.00 0.00 -0.62 -1.24 120.51 116.86 3k1f n ALA 506 Ca 0.05 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.99 3k1f n ALA 506 Cb 0.38 -2.13 0.18 0.00 0.00 0.00 0.00 19.45 17.88 3k1f n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k1f h VAL 507 N 2.72 0.23 0.00 0.00 2.07 -1.72 -0.93 116.25 118.62 3k1f h VAL 507 Ca -0.44 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3k1f h VAL 507 Cb 1.31 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3k1f h VAL 507 CO 0.71 0.01 -0.10 -0.65 0.02 0.00 0.00 177.57 177.56 3k1f h PRO 508 N 0.07 0.00 0.00 1.57 0.11 -1.89 -2.33 132.00 129.52 3k1f h PRO 508 Ca 0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.41 3k1f h PRO 508 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3k1f h PRO 508 CO -0.76 0.10 -0.71 -0.07 -0.21 0.00 0.00 178.00 176.35 3k1f h LEU 509 N 0.00 0.00 0.00 2.35 3.38 -1.50 -3.19 115.31 116.34 3k1f h LEU 509 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1f h LEU 509 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k1f h LEU 509 CO 0.01 0.71 -0.11 0.00 0.09 0.00 0.00 178.44 179.14 3k1f n GLN 510 N -3.63 0.01 -0.36 1.13 1.13 -0.88 -4.32 117.38 110.47 3k1f n GLN 510 Ca -0.01 0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3k1f n GLN 510 Cb 0.71 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.49 3k1f n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3k1f h ILE 511 N 0.00 0.01 -3.59 5.09 2.04 -1.54 -3.32 117.51 116.20 3k1f h ILE 511 Ca 0.00 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.22 3k1f h ILE 511 Cb 0.51 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 3k1f h ILE 511 CO 0.00 0.00 0.17 -0.69 0.00 0.00 0.00 178.15 177.63 3k1f s VAL 512 N -5.68 4.82 -0.12 1.67 1.01 -1.26 -1.36 120.40 119.48 3k1f s VAL 512 Ca -0.13 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3k1f s VAL 512 Cb 0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3k1f s VAL 512 CO 0.65 -0.52 1.19 -0.55 0.00 0.00 0.00 175.10 175.87 3k1f s SER 513 N 1.95 7.03 0.00 3.32 0.15 0.41 -4.87 113.70 121.69 3k1f s SER 513 Ca 0.24 1.70 0.31 0.00 0.70 0.00 0.00 55.95 58.90 3k1f s SER 513 Cb -0.14 -2.55 1.70 0.00 -1.71 0.00 0.00 66.02 63.32 3k1f s SER 513 CO 0.18 -0.65 2.12 -2.65 1.20 0.00 0.00 173.24 173.43 3k1f n PRO 514 N 5.87 1.04 0.02 5.44 -0.02 -1.26 -1.61 135.00 144.48 3k1f n PRO 514 Ca 0.12 -0.17 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 3k1f n PRO 514 Cb 0.46 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.61 3k1f n PRO 514 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3k1f h GLN 515 N 0.41 0.47 -0.02 -0.52 4.15 -1.92 -3.37 115.11 114.31 3k1f h GLN 515 Ca 0.00 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.05 3k1f h GLN 515 Cb 0.12 -0.01 -0.31 0.00 0.21 0.00 0.00 27.48 27.50 3k1f h GLN 515 CO 0.00 0.75 -0.80 -1.13 -1.93 0.00 0.00 178.83 175.72 3k1f n SER 516 N -4.07 0.36 -1.90 -0.69 3.41 -1.22 -3.24 113.62 106.27 3k1f n SER 516 Ca -0.01 -2.01 -0.03 0.00 -0.26 0.00 0.00 58.87 56.56 3k1f n SER 516 Cb 0.46 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3k1f n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3k1f n ASN 517 N 0.24 -1.36 -4.25 4.04 0.23 -0.64 -4.89 115.26 108.65 3k1f n ASN 517 Ca -0.05 0.28 -0.14 0.00 -0.53 0.00 0.00 54.58 54.14 3k1f n ASN 517 Cb 0.99 -1.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.18 3k1f n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3k1f s LYS 518 N -3.85 1.15 0.59 -3.83 -2.85 -0.93 -4.75 119.74 105.27 3k1f s LYS 518 Ca 0.00 -1.56 -0.18 0.00 -1.00 0.00 0.00 55.97 53.23 3k1f s LYS 518 Cb 0.00 -0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 3k1f s LYS 518 CO 0.00 -0.15 1.13 -1.25 0.10 0.00 0.00 175.35 175.18 3k1f s PRO 519 N -3.93 3.14 -0.06 1.78 0.04 -1.26 -0.44 135.00 134.27 3k1f s PRO 519 Ca 0.26 1.54 0.16 0.00 0.04 0.00 0.00 61.00 63.00 3k1f s PRO 519 Cb 0.06 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.38 3k1f s PRO 519 CO 0.05 -1.01 0.29 0.00 0.04 0.00 0.00 177.00 176.37 3k1f s MET 521 N -2.96 3.30 0.17 0.00 -1.94 -1.26 -4.50 119.30 112.12 3k1f s MET 521 Ca -0.07 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3k1f s MET 521 Cb 0.09 -2.88 -0.00 0.00 2.01 0.00 0.00 34.83 34.05 3k1f s MET 521 CO 0.69 0.52 0.19 0.41 -0.01 0.00 0.00 175.02 176.82 3k1f n GLY 522 N 2.72 3.03 3.71 -0.03 0.00 -1.26 -4.32 105.19 109.04 3k1f n GLY 522 Ca -0.18 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3k1f n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1f s ILE 523 N -2.64 4.90 0.41 -0.61 -1.09 -0.74 -4.65 121.20 116.78 3k1f s ILE 523 Ca 0.17 1.88 0.07 0.00 -2.23 0.00 0.00 60.65 60.54 3k1f s ILE 523 Cb 0.00 -4.24 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 3k1f s ILE 523 CO 0.12 0.16 0.01 0.68 -1.23 0.00 0.00 174.94 174.68 3k1f s VAL 524 N 1.14 1.94 0.00 2.92 -7.23 -1.26 -4.58 120.40 113.34 3k1f s VAL 524 Ca 0.47 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3k1f s VAL 524 Cb -0.20 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.79 3k1f s VAL 524 CO 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.02 3k1f n GLN 525 N -0.98 0.00 0.14 4.82 6.02 -1.26 -1.53 117.38 124.59 3k1f n GLN 525 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.80 3k1f n GLN 525 Cb 0.67 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.87 3k1f n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3k1f h ASP 526 N 0.00 -0.82 -0.40 1.08 5.19 -1.98 -1.32 116.42 118.17 3k1f h ASP 526 Ca 0.00 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3k1f h ASP 526 Cb 0.00 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 3k1f h ASP 526 CO 0.00 -0.40 0.27 0.74 -3.12 0.00 0.00 179.24 176.73 3k1f h THR 527 N -0.55 1.08 0.25 0.35 2.02 -1.67 -1.17 112.91 113.22 3k1f h THR 527 Ca 0.01 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3k1f h THR 527 Cb 0.55 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3k1f h THR 527 CO -0.13 0.09 -0.12 0.25 0.37 0.00 0.00 175.52 175.99 3k1f h LEU 528 N 0.51 -0.28 -1.38 2.58 5.85 -0.68 -1.03 115.31 120.88 3k1f h LEU 528 Ca 0.15 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3k1f h LEU 528 Cb -0.02 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3k1f h LEU 528 CO -0.03 0.18 -0.19 0.00 -0.34 0.00 0.00 178.44 178.05 3k1f h GLY 530 N 0.80 -0.31 1.45 0.00 0.00 -1.24 -2.72 103.07 101.05 3k1f h GLY 530 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3k1f h GLY 530 CO 0.03 -0.11 0.23 1.19 0.00 0.00 0.00 176.54 177.88 3k1f h ILE 531 N -0.40 1.18 0.26 2.60 2.10 -0.98 -0.86 117.51 121.41 3k1f h ILE 531 Ca -0.03 -0.52 -0.01 0.00 1.08 0.00 0.00 64.86 65.38 3k1f h ILE 531 Cb 0.30 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3k1f h ILE 531 CO 0.05 0.21 -0.13 -0.09 -1.08 0.00 0.00 178.15 177.11 3k1f h ARG 532 N 0.71 -0.34 -0.43 2.19 2.43 -1.38 -1.45 114.38 116.11 3k1f h ARG 532 Ca 0.18 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3k1f h ARG 532 Cb 0.10 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3k1f h ARG 532 CO -0.02 -0.05 0.29 0.87 -1.51 0.00 0.00 179.97 179.55 3k1f h LYS 533 N -0.63 0.34 -0.03 0.20 1.57 -1.40 -1.08 116.57 115.54 3k1f h LYS 533 Ca -0.04 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3k1f h LYS 533 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3k1f h LYS 533 CO 0.06 0.22 -0.70 1.25 -0.57 0.00 0.00 179.45 179.72 3k1f h LEU 534 N 0.35 0.19 -7.93 2.94 5.85 -1.07 -3.40 115.31 112.24 3k1f h LEU 534 Ca 0.19 -0.12 -0.71 0.00 0.84 0.00 0.00 57.88 58.07 3k1f h LEU 534 Cb 0.31 -0.06 -0.19 0.00 0.37 0.00 0.00 40.66 41.09 3k1f h LEU 534 CO -0.04 0.82 0.72 -0.89 -0.34 0.00 0.00 178.44 178.71 3k1f s THR 535 N -3.53 4.93 0.26 1.05 2.01 -0.41 -4.05 115.64 115.90 3k1f s THR 535 Ca -0.03 -1.84 -0.16 0.00 0.31 0.00 0.00 61.69 59.97 3k1f s THR 535 Cb 0.12 -4.73 0.01 0.00 0.01 0.00 0.00 72.50 67.90 3k1f s THR 535 CO 0.80 -1.42 0.57 -0.76 -0.69 0.00 0.00 174.62 173.12 3k1f s LEU 536 N 2.09 0.09 0.12 4.42 1.43 -1.26 -4.56 118.68 121.00 3k1f s LEU 536 Ca 0.31 -0.78 0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3k1f s LEU 536 Cb -0.06 2.15 0.19 0.00 0.03 0.00 0.00 46.19 48.50 3k1f s LEU 536 CO -0.09 -1.21 1.17 0.54 0.23 0.00 0.00 176.35 177.00 3k1f n ARG 537 N -0.41 0.36 0.09 1.70 1.74 -1.26 -3.59 116.66 115.30 3k1f n ARG 537 Ca -0.03 0.07 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 3k1f n ARG 537 Cb 0.61 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 3k1f n ARG 537 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3k1f h ASP 538 N 0.00 0.00 -3.53 0.55 1.82 -1.96 -3.45 116.42 109.84 3k1f h ASP 538 Ca 0.00 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 56.04 3k1f h ASP 538 Cb 0.80 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.70 3k1f h ASP 538 CO 0.00 0.19 0.58 -0.89 -1.61 0.00 0.00 179.24 177.51 3k1f s THR 539 N -3.21 4.44 0.00 2.25 2.01 -1.24 -5.04 115.64 114.87 3k1f s THR 539 Ca -0.01 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.68 3k1f s THR 539 Cb 0.09 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 3k1f s THR 539 CO 0.79 -0.92 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.22 3k1f s PHE 540 N 3.82 1.92 -0.03 4.92 0.40 -1.26 -1.68 117.98 126.08 3k1f s PHE 540 Ca 0.35 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 3k1f s PHE 540 Cb -0.11 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.23 3k1f s PHE 540 CO 0.24 0.01 -0.05 0.42 0.70 0.00 0.00 175.22 176.54 3k1f s ILE 541 N -0.61 0.53 0.76 0.64 1.09 0.25 -4.96 121.20 118.91 3k1f s ILE 541 Ca 0.08 -0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.36 3k1f s ILE 541 Cb -0.09 -0.51 0.09 0.00 -1.06 0.00 0.00 42.46 40.89 3k1f s ILE 541 CO 0.00 0.19 1.09 -1.83 -0.10 0.00 0.00 174.94 174.30 3k1f s GLU 542 N 0.46 1.91 0.16 2.79 1.03 -1.26 -1.20 118.70 122.59 3k1f s GLU 542 Ca -0.06 -0.24 -0.26 0.00 0.03 0.00 0.00 54.97 54.44 3k1f s GLU 542 Cb -0.10 -2.08 0.01 0.00 -0.80 0.00 0.00 34.13 31.16 3k1f s GLU 542 CO 0.00 -1.49 1.58 1.25 -1.33 0.00 0.00 175.26 175.27 3k1f h LEU 543 N -0.84 -1.40 -0.40 1.83 5.85 -1.99 -1.11 115.31 117.25 3k1f h LEU 543 Ca -0.44 0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.58 3k1f h LEU 543 Cb 1.31 0.62 -0.07 0.00 0.37 0.00 0.00 40.66 42.88 3k1f h LEU 543 CO 0.58 -0.36 -0.07 -2.24 -0.34 0.00 0.00 178.44 176.01 3k1f h ASP 544 N -0.30 -0.31 0.92 1.25 3.04 -1.97 0.49 116.42 119.53 3k1f h ASP 544 Ca 0.15 0.11 -0.14 0.00 -3.24 0.00 0.00 57.03 53.91 3k1f h ASP 544 Cb 0.58 0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 39.07 3k1f h ASP 544 CO -0.59 -0.11 -0.66 -0.61 -2.04 0.00 0.00 179.24 175.23 3k1f h GLN 545 N 0.03 0.00 -0.33 4.15 4.15 -1.94 -3.19 115.11 117.98 3k1f h GLN 545 Ca 0.19 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 3k1f h GLN 545 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3k1f h GLN 545 CO -0.39 0.66 -0.09 0.28 -1.93 0.00 0.00 178.83 177.36 3k1f h VAL 546 N 0.00 1.28 -0.63 2.39 2.07 -0.45 -1.00 116.25 119.91 3k1f h VAL 546 Ca -0.01 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.45 3k1f h VAL 546 Cb 1.29 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3k1f h VAL 546 CO 0.09 0.37 0.30 -0.07 0.02 0.00 0.00 177.57 178.28 3k1f h LEU 547 N 0.42 0.40 -0.51 2.57 3.38 -0.96 -0.33 115.31 120.28 3k1f h LEU 547 Ca 0.08 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3k1f h LEU 547 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k1f h LEU 547 CO 0.03 0.25 -0.40 -1.13 0.09 0.00 0.00 178.44 177.28 3k1f h ASN 548 N 0.55 0.83 0.34 -0.43 -1.24 -1.54 -1.25 115.58 112.84 3k1f h ASN 548 Ca 0.30 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 3k1f h ASN 548 Cb 0.28 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3k1f h ASN 548 CO -0.23 1.13 -0.19 0.24 -1.29 0.00 0.00 177.43 177.09 3k1f h MET 549 N 0.64 0.00 -0.00 6.67 2.86 -0.25 -0.30 114.93 124.55 3k1f h MET 549 Ca 0.05 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3k1f h MET 549 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3k1f h MET 549 CO 0.09 0.19 -0.24 -0.07 1.06 0.00 0.00 176.91 177.94 3k1f h LEU 550 N 0.00 0.21 -2.19 1.22 3.38 -0.92 -3.28 115.31 113.73 3k1f h LEU 550 Ca -0.00 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3k1f h LEU 550 Cb 0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k1f h LEU 550 CO 0.02 0.96 -0.02 0.22 0.09 0.00 0.00 178.44 179.72 3k1f h TYR 551 N -0.52 0.00 0.00 1.13 3.20 -0.62 -1.68 116.97 118.47 3k1f h TYR 551 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3k1f h TYR 551 Cb 1.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3k1f h TYR 551 CO 0.18 0.02 0.00 0.91 -1.64 0.00 0.00 178.16 177.63 3k1f n TRP 552 N -4.17 0.00 -3.02 -3.82 7.02 -0.18 -4.61 117.44 108.66 3k1f n TRP 552 Ca -0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 3k1f n TRP 552 Cb 0.10 -0.35 -0.06 0.00 -2.42 0.00 0.00 31.31 28.58 3k1f n TRP 552 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3k1f s VAL 553 N -2.70 4.77 0.24 -0.99 1.01 -0.64 -4.70 120.40 117.39 3k1f s VAL 553 Ca 0.17 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 3k1f s VAL 553 Cb 0.14 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.47 3k1f s VAL 553 CO 0.34 -0.46 1.77 1.55 0.00 0.00 0.00 175.10 178.30 3k1f h PRO 554 N 8.59 1.00 -2.23 2.72 0.13 -1.87 -3.11 132.00 137.23 3k1f h PRO 554 Ca -0.25 -0.22 -0.75 0.00 -0.87 0.00 0.00 66.00 63.90 3k1f h PRO 554 Cb 1.10 -0.14 -0.23 0.00 0.13 0.00 0.00 31.00 31.86 3k1f h PRO 554 CO 0.89 0.89 1.24 -0.25 -0.23 0.00 0.00 178.00 180.54 3k1f n ASP 555 N -4.25 7.45 -4.73 1.44 10.43 -1.26 -4.97 116.55 120.66 3k1f n ASP 555 Ca 0.05 -3.57 -0.36 0.00 2.57 0.00 0.00 54.79 53.48 3k1f n ASP 555 Cb 0.25 -1.19 -0.07 0.00 1.84 0.00 0.00 41.12 41.94 3k1f n ASP 555 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3k1f s TRP 556 N -3.39 3.45 0.63 1.24 -0.00 -1.18 -5.00 118.94 114.70 3k1f s TRP 556 Ca 0.47 0.52 0.37 0.00 -0.00 0.00 0.00 56.10 57.46 3k1f s TRP 556 Cb 0.27 -2.28 2.09 0.00 -0.00 0.00 0.00 33.47 33.56 3k1f s TRP 556 CO -0.20 0.27 2.27 0.38 -0.00 0.00 0.00 176.95 179.67 3k1f h ASP 557 N 6.60 0.00 0.00 5.86 2.03 -1.93 -3.46 116.42 125.52 3k1f h ASP 557 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 3k1f h ASP 557 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3k1f h ASP 557 CO 0.75 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.57 3k1f n GLY 558 N -1.21 0.76 3.31 7.15 0.00 -1.26 -5.06 105.19 108.88 3k1f n GLY 558 Ca -0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3k1f n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 559 N -2.00 3.64 -0.01 1.61 1.01 -1.26 -5.10 120.40 118.30 3k1f s VAL 559 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3k1f s VAL 559 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3k1f s VAL 559 CO 0.00 0.15 1.05 -0.63 0.00 0.00 0.00 175.10 175.68 3k1f s ILE 560 N 1.46 4.61 0.64 2.22 1.09 -1.26 -5.05 121.20 124.91 3k1f s ILE 560 Ca 0.02 1.88 -0.12 0.00 -1.10 0.00 0.00 60.65 61.34 3k1f s ILE 560 Cb -0.17 -4.21 -0.02 0.00 -1.06 0.00 0.00 42.46 37.00 3k1f s ILE 560 CO 0.00 0.11 1.04 -2.16 -0.10 0.00 0.00 174.94 173.83 3k1f s PRO 561 N 1.28 3.33 -0.05 2.79 0.04 -1.26 -5.04 135.00 136.09 3k1f s PRO 561 Ca 0.53 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 3k1f s PRO 561 Cb -0.23 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3k1f s PRO 561 CO 0.26 -0.79 0.94 0.99 0.04 0.00 0.00 177.00 178.45 3k1f s THR 562 N -3.01 4.87 0.45 1.26 2.01 -1.26 -5.02 115.64 114.93 3k1f s THR 562 Ca 0.57 1.95 -0.24 0.00 0.31 0.00 0.00 61.69 64.28 3k1f s THR 562 Cb -0.13 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 3k1f s THR 562 CO 0.51 0.12 1.28 -2.16 -0.69 0.00 0.00 174.62 173.67 3k1f s PRO 563 N 1.36 3.76 0.08 4.92 0.04 -1.26 -4.94 135.00 138.94 3k1f s PRO 563 Ca 0.48 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.37 3k1f s PRO 563 Cb -0.20 -2.57 -0.15 0.00 0.04 0.00 0.00 34.50 31.62 3k1f s PRO 563 CO 0.23 -0.64 1.67 0.00 0.04 0.00 0.00 177.00 178.30 3k1f h ALA 564 N 2.29 0.02 -3.05 8.56 0.00 -1.95 -3.40 119.26 121.72 3k1f h ALA 564 Ca -0.50 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 3k1f h ALA 564 Cb 1.26 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 3k1f h ALA 564 CO 0.61 -0.45 -0.39 0.42 0.00 0.00 0.00 179.25 179.44 3k1f s ILE 565 N -5.90 5.31 0.00 0.00 1.09 -0.66 -4.99 121.20 116.06 3k1f s ILE 565 Ca -0.13 0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 3k1f s ILE 565 Cb 0.06 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 3k1f s ILE 565 CO 0.66 0.34 0.00 -0.38 -0.10 0.00 0.00 174.94 175.46 3k1f n ILE 566 N 4.07 0.00 0.00 2.92 5.41 -1.26 -1.11 119.36 129.40 3k1f n ILE 566 Ca -0.13 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3k1f n ILE 566 Cb 0.52 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 3k1f n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3k1f n LYS 567 N -2.02 0.00 0.07 0.38 2.85 -1.26 -2.43 118.16 115.75 3k1f n LYS 567 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3k1f n LYS 567 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 3k1f n LYS 567 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3k1f h PRO 568 N 0.00 -0.23 -4.82 -1.58 0.11 -2.06 -3.43 132.00 119.99 3k1f h PRO 568 Ca 0.00 0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.45 3k1f h PRO 568 Cb 0.00 0.05 -0.25 0.00 0.11 0.00 0.00 31.00 30.92 3k1f h PRO 568 CO 0.00 0.18 -0.61 0.21 -0.21 0.00 0.00 178.00 177.57 3k1f s LYS 569 N -3.67 3.25 -0.33 1.05 2.20 -1.22 -5.06 119.74 115.95 3k1f s LYS 569 Ca -0.13 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 3k1f s LYS 569 Cb 0.01 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3k1f s LYS 569 CO 0.50 -0.39 1.62 -2.14 -0.36 0.00 0.00 175.35 174.57 3k1f s PRO 570 N 1.55 3.52 -0.06 4.03 0.02 -1.02 -4.52 135.00 138.53 3k1f s PRO 570 Ca 0.04 1.31 0.06 0.00 0.02 0.00 0.00 61.00 62.43 3k1f s PRO 570 Cb -0.17 -4.10 -0.01 0.00 0.02 0.00 0.00 34.50 30.24 3k1f s PRO 570 CO 0.03 -1.63 -0.25 -1.17 -0.33 0.00 0.00 177.00 173.66 3k1f s LEU 571 N 5.99 2.07 -0.09 -5.54 2.96 -0.26 -4.31 118.68 119.51 3k1f s LEU 571 Ca 0.71 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3k1f s LEU 571 Cb -0.20 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 3k1f s LEU 571 CO 0.32 0.25 0.08 0.26 -1.32 0.00 0.00 176.35 175.93 3k1f s TRP 572 N -0.17 3.38 0.50 5.38 0.51 -0.34 -1.65 118.94 126.55 3k1f s TRP 572 Ca -0.03 0.34 -0.03 0.00 -2.12 0.00 0.00 56.10 54.26 3k1f s TRP 572 Cb -0.14 -1.85 -0.01 0.00 -0.81 0.00 0.00 33.47 30.67 3k1f s TRP 572 CO 0.04 0.60 0.77 -1.54 -0.51 0.00 0.00 176.95 176.31 3k1f s SER 573 N -1.11 5.86 0.34 2.95 1.04 -1.26 -0.58 113.70 120.94 3k1f s SER 573 Ca 0.16 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.20 3k1f s SER 573 Cb -0.12 -1.78 0.62 0.00 0.10 0.00 0.00 66.02 64.84 3k1f s SER 573 CO 0.05 -0.78 1.99 1.23 0.98 0.00 0.00 173.24 176.71 3k1f h GLY 574 N 0.17 0.97 2.00 7.32 0.00 -1.46 -2.02 103.07 110.05 3k1f h GLY 574 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3k1f h GLY 574 CO 0.60 0.32 0.00 0.50 0.00 0.00 0.00 176.54 177.96 3k1f h LYS 575 N 0.89 0.00 0.09 4.80 1.57 -1.80 -1.84 116.57 120.28 3k1f h LYS 575 Ca 0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3k1f h LYS 575 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3k1f h LYS 575 CO -0.07 0.00 -0.04 1.96 -0.57 0.00 0.00 179.45 180.73 3k1f h GLN 576 N 0.00 -0.12 -0.10 3.15 4.20 -1.72 -3.24 115.11 117.28 3k1f h GLN 576 Ca 0.00 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 3k1f h GLN 576 Cb 0.26 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3k1f h GLN 576 CO 0.00 0.40 -0.68 -0.84 -0.67 0.00 0.00 178.83 177.04 3k1f h ILE 577 N -0.89 1.36 -0.94 2.54 -0.00 -1.59 -3.19 117.51 114.80 3k1f h ILE 577 Ca -0.01 -2.04 0.03 0.00 -0.00 0.00 0.00 64.86 62.84 3k1f h ILE 577 Cb 0.57 2.02 -0.05 0.00 -0.00 0.00 0.00 36.82 39.35 3k1f h ILE 577 CO 0.02 0.62 0.61 0.25 -0.00 0.00 0.00 178.15 179.65 3k1f h LEU 578 N 0.31 1.02 -2.79 0.16 5.85 -1.49 -1.39 115.31 116.98 3k1f h LEU 578 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k1f h LEU 578 Cb 1.24 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3k1f h LEU 578 CO 0.12 0.70 0.00 0.28 -0.34 0.00 0.00 178.44 179.20 3k1f h SER 579 N 1.19 0.00 -0.31 1.25 0.02 -1.57 -1.54 113.55 112.59 3k1f h SER 579 Ca 0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3k1f h SER 579 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3k1f h SER 579 CO -0.12 0.00 -0.05 0.58 -1.14 0.00 0.00 176.83 176.10 3k1f h VAL 580 N 0.00 1.24 0.00 2.27 2.07 -1.32 -2.94 116.25 117.57 3k1f h VAL 580 Ca 0.00 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3k1f h VAL 580 Cb 0.05 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3k1f h VAL 580 CO 0.00 0.35 -0.40 0.00 0.02 0.00 0.00 177.57 177.55 3k1f h ALA 581 N 1.29 0.98 -2.28 1.67 0.00 -1.39 -3.43 119.26 116.09 3k1f h ALA 581 Ca 0.12 -0.36 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 3k1f h ALA 581 Cb 0.48 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3k1f h ALA 581 CO 0.02 0.50 0.50 0.42 0.00 0.00 0.00 179.25 180.69 3k1f s ILE 582 N -3.58 4.83 0.46 0.00 1.01 -1.11 -4.97 121.20 117.84 3k1f s ILE 582 Ca 0.00 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.10 3k1f s ILE 582 Cb 0.11 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3k1f s ILE 582 CO 0.69 -0.06 1.03 -2.16 0.00 0.00 0.00 174.94 174.44 3k1f s PRO 583 N 2.69 3.93 0.53 2.79 0.04 -1.26 -4.61 135.00 139.11 3k1f s PRO 583 Ca 0.37 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 3k1f s PRO 583 Cb -0.16 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 3k1f s PRO 583 CO 0.09 -0.32 1.04 0.09 0.04 0.00 0.00 177.00 177.94 3k1f n ASN 584 N -0.73 1.24 0.00 6.66 4.13 -1.26 -3.72 115.26 121.59 3k1f n ASN 584 Ca 0.08 0.92 0.00 0.00 1.68 0.00 0.00 54.58 57.26 3k1f n ASN 584 Cb 0.52 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 3k1f n ASN 584 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k1f n GLY 585 N 1.17 2.34 3.68 7.41 0.00 -1.26 -4.79 105.19 113.74 3k1f n GLY 585 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3k1f n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1f s ILE 586 N -2.46 3.74 -0.12 -0.61 -1.09 -1.24 -4.72 121.20 114.69 3k1f s ILE 586 Ca 0.00 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.46 3k1f s ILE 586 Cb 0.00 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3k1f s ILE 586 CO 0.00 -0.04 -0.17 -2.28 -1.23 0.00 0.00 174.94 171.22 3k1f s HIS 587 N 3.08 2.16 -0.13 3.97 2.46 -1.26 0.36 115.29 125.93 3k1f s HIS 587 Ca 0.65 -1.07 -0.08 0.00 0.47 0.00 0.00 55.06 55.03 3k1f s HIS 587 Cb -0.31 -1.54 0.05 0.00 -0.13 0.00 0.00 32.58 30.65 3k1f s HIS 587 CO 0.26 -0.54 0.32 -1.17 -2.47 0.00 0.00 174.74 171.14 3k1f s LEU 588 N 1.04 0.35 -0.18 8.88 0.20 -0.08 -5.01 118.68 123.88 3k1f s LEU 588 Ca -0.05 0.68 -0.04 0.00 0.69 0.00 0.00 54.13 55.42 3k1f s LEU 588 Cb -0.15 1.04 0.06 0.00 -0.43 0.00 0.00 46.19 46.71 3k1f s LEU 588 CO -0.03 -0.16 0.05 -1.10 -0.29 0.00 0.00 176.35 174.82 3k1f s GLN 589 N 0.99 0.44 -0.07 1.98 -0.21 -1.26 -0.95 119.66 120.57 3k1f s GLN 589 Ca -0.07 -0.29 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 3k1f s GLN 589 Cb -0.07 -1.99 -0.01 0.00 1.00 0.00 0.00 33.01 31.93 3k1f s GLN 589 CO -0.07 -0.64 -0.09 -0.09 -2.12 0.00 0.00 175.29 172.28 3k1f h ARG 590 N 8.31 0.00 -3.75 2.91 2.43 -1.40 -3.49 114.38 119.38 3k1f h ARG 590 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3k1f h ARG 590 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3k1f h ARG 590 CO 0.32 0.00 -0.77 1.19 -1.51 0.00 0.00 179.97 179.20 3k1f n PHE 591 N -3.54 -4.01 -1.47 2.20 3.01 -1.26 -4.89 117.46 107.51 3k1f n PHE 591 Ca -0.03 2.41 0.00 0.00 1.01 0.00 0.00 57.45 60.84 3k1f n PHE 591 Cb 0.13 -3.39 0.00 0.00 -0.01 0.00 0.00 39.48 36.21 3k1f n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3k1f n ASP 592 N 1.53 0.00 0.34 4.37 8.00 -1.26 -4.92 116.55 124.61 3k1f n ASP 592 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 3k1f n ASP 592 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3k1f n ASP 592 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3k1f h GLU 593 N 0.00 -1.01 -2.89 -1.24 3.07 -2.00 -3.31 114.58 107.20 3k1f h GLU 593 Ca 0.00 0.07 -0.74 0.00 -0.50 0.00 0.00 59.36 58.19 3k1f h GLU 593 Cb 0.00 0.23 -0.33 0.00 -0.84 0.00 0.00 28.75 27.81 3k1f h GLU 593 CO 0.00 -0.67 0.26 0.41 -1.40 0.00 0.00 179.01 177.60 3k1f n GLY 594 N -1.57 4.79 3.03 -3.84 0.00 -1.26 -5.00 105.19 101.35 3k1f n GLY 594 Ca -0.13 -2.67 -0.30 0.00 0.00 0.00 0.00 46.02 42.92 3k1f n GLY 594 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1f s THR 595 N -2.30 1.57 -0.01 2.61 -4.23 -1.25 -4.53 115.64 107.50 3k1f s THR 595 Ca 0.33 -0.64 0.12 0.00 -1.18 0.00 0.00 61.69 60.31 3k1f s THR 595 Cb 0.03 -1.46 0.21 0.00 1.34 0.00 0.00 72.50 72.62 3k1f s THR 595 CO 0.01 0.46 1.09 0.35 -0.54 0.00 0.00 174.62 175.99 3k1f n THR 596 N 4.61 0.16 0.00 3.99 -2.24 -1.26 -4.91 114.28 114.62 3k1f n THR 596 Ca -0.18 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3k1f n THR 596 Cb 0.50 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3k1f n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k1f n LEU 597 N 0.11 0.00 -2.14 3.22 4.32 -1.26 -4.46 117.00 116.79 3k1f n LEU 597 Ca 0.04 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.82 3k1f n LEU 597 Cb 0.89 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.71 3k1f n LEU 597 CO -0.02 0.00 0.16 -0.11 -1.22 0.00 0.00 177.39 176.20 3k1f n LEU 598 N 0.00 4.49 -4.52 2.23 7.94 -1.26 -4.96 117.00 120.92 3k1f n LEU 598 Ca 0.00 -4.55 -0.49 0.00 -1.11 0.00 0.00 56.01 49.86 3k1f n LEU 598 Cb 0.00 -0.24 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 3k1f n LEU 598 CO 0.00 1.98 1.75 -1.54 -1.11 0.00 0.00 177.39 178.47 3k1f n SER 599 N -0.68 2.53 0.15 1.96 3.41 -1.26 -4.86 113.62 114.86 3k1f n SER 599 Ca 0.39 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 3k1f n SER 599 Cb 0.94 -1.33 0.22 0.00 -0.26 0.00 0.00 64.21 63.78 3k1f n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3k1f h PRO 600 N 12.27 0.00 0.00 4.33 0.13 -1.97 -3.00 132.00 143.76 3k1f h PRO 600 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3k1f h PRO 600 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3k1f h PRO 600 CO 1.00 0.55 0.00 0.87 -0.23 0.00 0.00 178.00 180.19 3k1f h LYS 601 N 0.00 0.00 -0.49 0.86 1.57 -1.89 -3.45 116.57 113.17 3k1f h LYS 601 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3k1f h LYS 601 Cb 1.02 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 3k1f h LYS 601 CO 0.07 0.00 -0.19 -3.47 -0.57 0.00 0.00 179.45 175.29 3k1f n ASP 602 N -2.70 -4.33 -4.74 0.86 -0.08 -1.13 -5.00 116.55 99.43 3k1f n ASP 602 Ca -0.01 0.25 -0.30 0.00 -1.51 0.00 0.00 54.79 53.22 3k1f n ASP 602 Cb 0.11 -2.73 0.13 0.00 2.34 0.00 0.00 41.12 40.96 3k1f n ASP 602 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3k1f s ASN 603 N -2.83 3.73 0.96 1.67 2.47 -1.26 -2.56 114.94 117.11 3k1f s ASN 603 Ca 0.00 1.46 0.00 0.00 0.42 0.00 0.00 52.86 54.74 3k1f s ASN 603 Cb 0.00 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 3k1f s ASN 603 CO 0.00 -2.48 0.00 0.61 -3.72 0.00 0.00 177.10 171.51 3k1f n GLY 604 N -1.33 1.17 3.58 1.21 0.00 -1.26 -4.43 105.19 104.13 3k1f n GLY 604 Ca 0.07 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3k1f n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k1f s MET 605 N 0.00 0.81 -0.22 1.61 1.75 -1.26 -3.77 119.30 118.22 3k1f s MET 605 Ca 0.00 0.48 -0.06 0.00 -1.25 0.00 0.00 55.69 54.87 3k1f s MET 605 Cb 0.00 0.39 0.11 0.00 2.84 0.00 0.00 34.83 38.17 3k1f s MET 605 CO 0.00 -0.20 0.42 -1.17 -0.65 0.00 0.00 175.02 173.43 3k1f s LEU 606 N -0.53 -0.69 -0.05 4.11 2.96 -0.59 -0.91 118.68 122.98 3k1f s LEU 606 Ca -0.04 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3k1f s LEU 606 Cb -0.02 1.35 0.01 0.00 0.50 0.00 0.00 46.19 48.03 3k1f s LEU 606 CO 0.03 -0.25 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.06 3k1f s ILE 607 N 2.62 1.11 -0.05 6.68 1.09 -0.13 -0.99 121.20 131.53 3k1f s ILE 607 Ca 0.03 -0.50 0.02 0.00 -1.10 0.00 0.00 60.65 59.10 3k1f s ILE 607 Cb -0.13 -0.99 0.02 0.00 -1.06 0.00 0.00 42.46 40.29 3k1f s ILE 607 CO -0.14 0.34 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.33 3k1f s ILE 608 N 0.42 0.79 -1.56 2.92 1.01 -0.18 -0.90 121.20 123.70 3k1f s ILE 608 Ca -0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 3k1f s ILE 608 Cb -0.13 -0.75 0.08 0.00 0.01 0.00 0.00 42.46 41.66 3k1f s ILE 608 CO 0.03 0.27 0.58 -0.67 0.00 0.00 0.00 174.94 175.15 3k1f n ASP 609 N 3.83 -1.79 -1.09 3.58 2.03 0.16 -0.89 116.55 122.38 3k1f n ASP 609 Ca -0.24 -1.02 -0.12 0.00 0.52 0.00 0.00 54.79 53.93 3k1f n ASP 609 Cb 0.52 -2.83 -0.03 0.00 -0.72 0.00 0.00 41.12 38.05 3k1f n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k1f n GLY 610 N -1.73 0.73 2.91 0.27 0.00 -1.11 -4.12 105.19 102.14 3k1f n GLY 610 Ca -0.12 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 3k1f n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1f s GLN 611 N -3.64 0.79 0.13 1.61 -1.52 -0.07 -4.29 119.66 112.67 3k1f s GLN 611 Ca 0.00 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 3k1f s GLN 611 Cb 0.00 -0.79 -0.07 0.00 -0.22 0.00 0.00 33.01 31.94 3k1f s GLN 611 CO 0.00 -0.03 1.14 0.42 -0.25 0.00 0.00 175.29 176.56 3k1f s ILE 612 N 0.70 3.95 -0.23 1.08 1.01 -1.26 -1.01 121.20 125.44 3k1f s ILE 612 Ca -0.09 1.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.96 3k1f s ILE 612 Cb -0.12 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 3k1f s ILE 612 CO 0.00 0.21 -0.29 -0.38 0.00 0.00 0.00 174.94 174.49 3k1f n ILE 613 N 2.99 1.51 -3.66 2.92 -0.00 -0.16 -4.93 119.36 118.03 3k1f n ILE 613 Ca 0.05 -0.13 -0.10 0.00 -0.00 0.00 0.00 62.75 62.57 3k1f n ILE 613 Cb 0.46 -2.09 -0.03 0.00 -0.00 0.00 0.00 39.64 37.98 3k1f n ILE 613 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 3k1f s PHE 614 N -2.61 -0.23 0.00 1.39 -0.12 -1.22 -5.04 117.98 110.15 3k1f s PHE 614 Ca -0.33 -0.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 3k1f s PHE 614 Cb 0.09 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 3k1f s PHE 614 CO 0.46 -0.90 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 3k1f n GLY 615 N -0.34 2.61 3.31 1.99 0.00 -1.26 -1.53 105.19 109.97 3k1f n GLY 615 Ca -0.12 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 3k1f n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 616 N -2.57 3.28 -0.19 1.61 1.01 -1.06 -4.76 120.40 117.71 3k1f s VAL 616 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3k1f s VAL 616 Cb 0.00 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3k1f s VAL 616 CO 0.00 0.44 1.11 -0.69 0.00 0.00 0.00 175.10 175.96 3k1f s VAL 617 N 1.31 4.55 0.00 2.92 1.01 -1.26 -4.91 120.40 124.03 3k1f s VAL 617 Ca 0.04 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3k1f s VAL 617 Cb -0.14 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3k1f s VAL 617 CO -0.03 -0.14 0.00 -1.84 0.00 0.00 0.00 175.10 173.09 3k1f n GLU 618 N 6.24 0.00 -0.33 2.72 -0.00 -1.26 -3.16 120.64 124.85 3k1f n GLU 618 Ca 0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.16 57.45 3k1f n GLU 618 Cb 0.46 0.00 0.36 0.00 -0.00 0.00 0.00 31.44 32.26 3k1f n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3k1f h LYS 619 N 0.00 0.47 0.00 3.44 3.64 -1.46 -0.24 116.57 122.42 3k1f h LYS 619 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3k1f h LYS 619 Cb 0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3k1f h LYS 619 CO 0.00 0.31 -0.13 0.87 -2.27 0.00 0.00 179.45 178.24 3k1f h LYS 620 N 0.48 0.00 0.00 1.90 1.57 -1.86 -1.20 116.57 117.47 3k1f h LYS 620 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 3k1f h LYS 620 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3k1f h LYS 620 CO -0.51 0.13 -0.67 2.41 -0.57 0.00 0.00 179.45 180.23 3k1f n THR 621 N -3.45 1.08 1.23 -0.16 -1.04 -0.24 -4.37 114.28 107.32 3k1f n THR 621 Ca -0.01 0.24 0.13 0.00 -2.04 0.00 0.00 64.05 62.37 3k1f n THR 621 Cb 0.29 -2.07 0.30 0.00 -1.82 0.00 0.00 70.33 67.03 3k1f n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3k1f n VAL 622 N -3.87 0.00 -3.65 12.58 3.14 -0.38 -0.96 118.33 125.19 3k1f n VAL 622 Ca -0.09 -0.36 -0.26 0.00 -2.96 0.00 0.00 64.34 60.67 3k1f n VAL 622 Cb 0.35 0.98 -0.03 0.00 -1.06 0.00 0.00 33.84 34.09 3k1f n VAL 622 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3k1f s GLY 623 N -2.05 1.67 -0.74 7.55 0.00 -0.45 -1.79 107.32 111.50 3k1f s GLY 623 Ca 0.32 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 3k1f s GLY 623 CO 0.34 -0.81 2.42 -1.14 0.00 0.00 0.00 173.10 173.91 3k1f n SER 624 N -0.92 1.31 -3.68 1.64 3.41 -1.26 -4.74 113.62 109.38 3k1f n SER 624 Ca -0.05 -0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 3k1f n SER 624 Cb 0.54 -1.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.05 3k1f n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1f s SER 625 N 9.60 -0.29 0.30 4.04 1.04 -1.26 -4.91 113.70 122.22 3k1f s SER 625 Ca 1.07 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 3k1f s SER 625 Cb -0.41 0.40 0.48 0.00 0.10 0.00 0.00 66.02 66.59 3k1f s SER 625 CO 0.27 -0.59 1.93 -1.13 0.98 0.00 0.00 173.24 174.70 3k1f h ASN 626 N 3.27 0.94 0.52 7.02 -0.73 -1.90 -1.70 115.58 123.00 3k1f h ASN 626 Ca -0.30 -0.01 -0.12 0.00 1.87 0.00 0.00 56.30 57.74 3k1f h ASN 626 Cb 1.19 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.55 3k1f h ASN 626 CO 0.42 0.64 -0.55 1.23 -0.37 0.00 0.00 177.43 178.80 3k1f h GLY 627 N 1.09 0.04 -1.88 1.57 0.00 -1.96 -3.44 103.07 98.48 3k1f h GLY 627 Ca 0.36 -0.05 -0.25 0.00 0.00 0.00 0.00 47.33 47.39 3k1f h GLY 627 CO -0.12 0.05 -0.09 0.61 0.00 0.00 0.00 176.54 176.99 3k1f n GLY 628 N 0.08 -0.37 0.25 4.60 0.00 -0.64 -4.67 105.19 104.43 3k1f n GLY 628 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 3k1f n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1f h LEU 629 N 0.66 -0.64 -0.16 0.99 7.12 -1.36 -1.53 115.31 120.40 3k1f h LEU 629 Ca -0.13 0.18 0.02 0.00 0.13 0.00 0.00 57.88 58.08 3k1f h LEU 629 Cb 0.50 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 40.99 3k1f h LEU 629 CO 0.21 -0.22 -0.21 0.40 -0.13 0.00 0.00 178.44 178.49 3k1f h ILE 630 N -0.04 0.00 -0.74 4.05 5.03 -1.90 0.64 117.51 124.56 3k1f h ILE 630 Ca 0.26 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.17 3k1f h ILE 630 Cb 0.45 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.11 3k1f h ILE 630 CO -0.60 0.00 -0.06 -0.74 -0.68 0.00 0.00 178.15 176.08 3k1f h HIS 631 N -0.15 -0.16 -0.52 1.37 6.17 -1.61 0.24 115.15 120.49 3k1f h HIS 631 Ca 0.03 0.06 -0.12 0.00 0.71 0.00 0.00 60.37 61.05 3k1f h HIS 631 Cb 0.22 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 3k1f h HIS 631 CO -0.66 -0.26 -0.13 0.28 0.71 0.00 0.00 177.93 177.87 3k1f h VAL 632 N 0.07 1.27 -0.73 5.26 2.07 -0.80 -2.65 116.25 120.73 3k1f h VAL 632 Ca 0.39 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3k1f h VAL 632 Cb 0.66 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3k1f h VAL 632 CO -0.69 0.45 0.20 0.58 0.02 0.00 0.00 177.57 178.14 3k1f h VAL 633 N 0.86 1.26 0.04 2.57 2.07 0.66 -1.40 116.25 122.31 3k1f h VAL 633 Ca 0.13 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3k1f h VAL 633 Cb 0.70 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3k1f h VAL 633 CO 0.05 0.37 -0.02 0.74 0.02 0.00 0.00 177.57 178.73 3k1f h THR 634 N 1.10 1.23 0.40 2.57 2.02 -0.99 -0.61 112.91 118.63 3k1f h THR 634 Ca 0.23 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3k1f h THR 634 Cb 0.34 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3k1f h THR 634 CO -0.00 0.22 -0.29 0.03 0.37 0.00 0.00 175.52 175.85 3k1f h ARG 635 N -0.44 -0.66 0.00 6.66 2.47 -1.43 -0.93 114.38 120.05 3k1f h ARG 635 Ca -0.01 0.04 -0.24 0.00 -1.26 0.00 0.00 59.98 58.52 3k1f h ARG 635 Cb 0.41 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 3k1f h ARG 635 CO 0.01 -0.44 -1.29 1.49 0.56 0.00 0.00 179.97 180.30 3k1f h GLU 636 N -0.68 0.00 0.00 0.04 4.57 -1.38 -3.41 114.58 113.72 3k1f h GLU 636 Ca -0.04 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 3k1f h GLU 636 Cb 0.58 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3k1f h GLU 636 CO 0.01 0.78 -1.72 1.63 -1.18 0.00 0.00 179.01 178.53 3k1f n LYS 637 N -3.22 1.52 0.00 1.92 4.76 -0.25 -5.08 118.16 117.81 3k1f n LYS 637 Ca -0.07 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3k1f n LYS 637 Cb 0.98 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 3k1f n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k1f n GLY 638 N 2.12 3.59 0.11 0.72 0.00 -0.36 -4.77 105.19 106.60 3k1f n GLY 638 Ca -0.13 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 3k1f n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1f h PRO 639 N 0.00 0.26 -0.87 1.61 0.13 -1.85 -1.79 132.00 129.48 3k1f h PRO 639 Ca 0.00 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3k1f h PRO 639 Cb 0.00 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 3k1f h PRO 639 CO 0.00 0.54 0.57 -0.56 -0.23 0.00 0.00 178.00 178.32 3k1f h GLN 640 N -0.04 1.16 0.31 0.86 -0.00 -1.93 -0.01 115.11 115.45 3k1f h GLN 640 Ca 0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 3k1f h GLN 640 Cb 0.44 -0.26 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 3k1f h GLN 640 CO 0.01 0.77 -0.15 0.28 -0.00 0.00 0.00 178.83 179.74 3k1f h VAL 641 N 1.19 0.72 -0.44 1.86 2.07 -1.85 -1.07 116.25 118.73 3k1f h VAL 641 Ca 0.32 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 3k1f h VAL 641 Cb -0.13 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3k1f h VAL 641 CO -0.07 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.57 3k1f h ALA 643 N 1.33 0.95 -0.16 0.00 0.00 -0.85 -2.55 119.26 117.98 3k1f h ALA 643 Ca 0.14 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 3k1f h ALA 643 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3k1f h ALA 643 CO 0.02 0.66 -0.66 -0.22 0.00 0.00 0.00 179.25 179.05 3k1f h LYS 644 N 0.21 0.64 -0.91 0.00 1.63 -1.05 -3.17 116.57 113.91 3k1f h LYS 644 Ca 0.01 -0.47 0.08 0.00 -0.85 0.00 0.00 60.65 59.42 3k1f h LYS 644 Cb 0.97 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.61 3k1f h LYS 644 CO 0.08 1.09 0.57 1.25 -3.45 0.00 0.00 179.45 178.98 3k1f h LEU 645 N 0.46 0.87 0.27 5.20 5.85 -1.12 -1.33 115.31 125.51 3k1f h LEU 645 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3k1f h LEU 645 Cb 1.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3k1f h LEU 645 CO 0.13 0.52 -0.32 -0.26 -0.34 0.00 0.00 178.44 178.17 3k1f h PHE 646 N 0.98 -0.89 -0.97 1.25 -1.00 -1.43 0.03 116.94 114.91 3k1f h PHE 646 Ca 0.42 0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.32 3k1f h PHE 646 Cb 0.28 0.35 -0.08 0.00 3.61 0.00 0.00 35.95 40.11 3k1f h PHE 646 CO -0.03 -0.41 0.62 0.78 -1.61 0.00 0.00 178.31 177.66 3k1f h GLY 647 N -0.60 1.53 0.85 -1.45 0.00 -1.58 -1.86 103.07 99.95 3k1f h GLY 647 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3k1f h GLY 647 CO -0.06 0.17 0.04 3.43 0.00 0.00 0.00 176.54 180.12 3k1f h ASN 648 N 0.96 0.27 -0.06 0.19 4.21 -0.94 -1.03 115.58 119.17 3k1f h ASN 648 Ca 0.47 -0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.78 3k1f h ASN 648 Cb 0.48 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 3k1f h ASN 648 CO -0.24 0.43 -0.09 0.40 -1.29 0.00 0.00 177.43 176.64 3k1f h ILE 649 N 0.10 0.75 -0.79 2.81 2.04 -0.66 -1.95 117.51 119.82 3k1f h ILE 649 Ca 0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.06 3k1f h ILE 649 Cb 0.26 0.75 -0.10 0.00 -0.74 0.00 0.00 36.82 37.00 3k1f h ILE 649 CO 0.00 0.00 0.34 1.56 0.00 0.00 0.00 178.15 180.05 3k1f h GLN 650 N -0.12 0.47 0.04 2.37 4.20 -1.16 -0.64 115.11 120.26 3k1f h GLN 650 Ca 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3k1f h GLN 650 Cb 0.20 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3k1f h GLN 650 CO -0.14 0.31 -0.02 0.87 -0.67 0.00 0.00 178.83 179.18 3k1f h LYS 651 N 0.48 -0.06 0.04 1.46 1.57 -0.70 -1.58 116.57 117.79 3k1f h LYS 651 Ca 0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3k1f h LYS 651 Cb 0.66 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3k1f h LYS 651 CO -0.40 0.08 -0.02 0.28 -0.57 0.00 0.00 179.45 178.81 3k1f h VAL 652 N -0.18 1.22 0.53 0.50 2.07 -0.78 -2.67 116.25 116.94 3k1f h VAL 652 Ca -0.01 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3k1f h VAL 652 Cb 0.16 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3k1f h VAL 652 CO 0.01 0.22 -0.44 0.58 0.02 0.00 0.00 177.57 177.96 3k1f h VAL 653 N -0.45 0.12 -0.85 2.57 2.07 -1.22 -1.77 116.25 116.72 3k1f h VAL 653 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3k1f h VAL 653 Cb 0.41 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3k1f h VAL 653 CO 0.01 0.00 0.56 0.78 0.02 0.00 0.00 177.57 178.94 3k1f h ASN 654 N -0.96 0.88 -0.43 0.57 2.35 -1.39 -0.45 115.58 116.15 3k1f h ASN 654 Ca -0.06 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3k1f h ASN 654 Cb 0.82 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3k1f h ASN 654 CO -0.01 0.58 -0.06 0.15 -1.65 0.00 0.00 177.43 176.44 3k1f h PHE 655 N 1.01 0.94 -0.44 1.19 3.57 -1.35 0.09 116.94 121.95 3k1f h PHE 655 Ca 0.35 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 3k1f h PHE 655 Cb 0.12 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3k1f h PHE 655 CO -0.00 0.88 -0.19 2.35 -2.23 0.00 0.00 178.31 179.12 3k1f h TRP 656 N 0.79 1.04 0.00 0.41 7.01 -0.40 -2.94 115.95 121.85 3k1f h TRP 656 Ca 0.14 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 60.85 3k1f h TRP 656 Cb 0.55 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3k1f h TRP 656 CO 0.03 1.04 -0.19 1.25 -2.79 0.00 0.00 178.44 177.79 3k1f h LEU 657 N 0.74 0.00 -0.79 0.65 5.85 -0.89 -0.54 115.31 120.33 3k1f h LEU 657 Ca 0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3k1f h LEU 657 Cb 0.76 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3k1f h LEU 657 CO 0.06 0.19 0.07 0.25 -0.34 0.00 0.00 178.44 178.66 3k1f h LEU 658 N 0.00 0.94 0.02 2.25 5.85 -0.79 0.23 115.31 123.81 3k1f h LEU 658 Ca -0.00 -0.23 -0.32 0.00 0.84 0.00 0.00 57.88 58.17 3k1f h LEU 658 Cb 0.51 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3k1f h LEU 658 CO 0.02 0.96 -1.90 1.41 -0.34 0.00 0.00 178.44 178.60 3k1f n HIS 659 N -4.21 0.83 -0.00 1.25 8.25 -1.09 -4.56 115.22 115.68 3k1f n HIS 659 Ca 0.04 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.76 3k1f n HIS 659 Cb 0.30 -1.14 -0.01 0.00 1.12 0.00 0.00 29.99 30.26 3k1f n HIS 659 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3k1f h ASN 660 N 0.01 -0.07 -4.60 0.41 -1.24 -1.13 -3.51 115.58 105.45 3k1f h ASN 660 Ca -0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.65 3k1f h ASN 660 Cb 2.05 0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.12 3k1f h ASN 660 CO 0.07 0.28 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 3k1f n GLY 661 N 1.57 0.26 3.54 1.57 0.00 0.07 -5.06 105.19 107.14 3k1f n GLY 661 Ca -0.01 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 3k1f n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1f s PHE 662 N -2.91 -0.68 -0.15 1.61 5.36 -1.26 -5.04 117.98 114.91 3k1f s PHE 662 Ca 0.00 1.37 -0.29 0.00 -0.96 0.00 0.00 56.93 57.05 3k1f s PHE 662 Cb 0.00 0.34 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 3k1f s PHE 662 CO 0.00 -0.51 0.77 0.45 -1.46 0.00 0.00 175.22 174.47 3k1f s SER 663 N -0.62 -0.62 -0.09 6.13 0.15 -1.26 -5.17 113.70 112.22 3k1f s SER 663 Ca -0.07 0.88 0.04 0.00 0.70 0.00 0.00 55.95 57.50 3k1f s SER 663 Cb -0.02 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3k1f s SER 663 CO 0.06 -0.43 -0.23 0.28 1.20 0.00 0.00 173.24 174.13 3k1f s THR 664 N -0.63 2.22 0.28 6.45 -1.32 -1.26 -4.83 115.64 116.55 3k1f s THR 664 Ca -0.05 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.48 3k1f s THR 664 Cb -0.02 -1.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 3k1f s THR 664 CO 0.05 0.56 0.15 -0.83 -2.21 0.00 0.00 174.62 172.34 3k1f s GLY 665 N 0.19 1.92 0.43 6.08 0.00 -1.26 -5.06 107.32 109.63 3k1f s GLY 665 Ca -0.13 -1.79 0.21 0.00 0.00 0.00 0.00 44.72 43.01 3k1f s GLY 665 CO 0.07 -1.55 1.82 0.16 0.00 0.00 0.00 173.10 173.60 3k1f h ILE 666 N 2.31 0.58 -0.10 0.90 -0.00 -2.01 -0.71 117.51 118.48 3k1f h ILE 666 Ca -0.34 -0.11 0.03 0.00 -0.00 0.00 0.00 64.86 64.44 3k1f h ILE 666 Cb 1.25 0.22 -0.00 0.00 -0.00 0.00 0.00 36.82 38.29 3k1f h ILE 666 CO 0.52 0.06 0.23 1.23 -0.00 0.00 0.00 178.15 180.20 3k1f h GLY 667 N 0.32 0.00 1.74 0.16 0.00 -1.97 -0.25 103.07 103.07 3k1f h GLY 667 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3k1f h GLY 667 CO -0.19 0.00 -0.20 -0.55 0.00 0.00 0.00 176.54 175.59 3k1f h ASP 668 N 0.00 0.00 -0.01 0.19 3.32 -1.54 -3.27 116.42 115.11 3k1f h ASP 668 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1f h ASP 668 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3k1f h ASP 668 CO -0.00 0.03 -0.59 0.35 -1.72 0.00 0.00 179.24 177.31 3k1f n THR 669 N -2.31 0.00 -2.92 0.35 -2.24 -0.12 -4.82 114.28 102.21 3k1f n THR 669 Ca 0.05 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3k1f n THR 669 Cb 0.45 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 3k1f n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k1f s ILE 670 N -2.42 4.67 0.29 2.28 1.01 -1.11 -4.14 121.20 121.77 3k1f s ILE 670 Ca 0.13 0.83 -0.17 0.00 0.00 0.00 0.00 60.65 61.44 3k1f s ILE 670 Cb 0.15 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 3k1f s ILE 670 CO 0.60 -0.54 0.73 0.00 0.00 0.00 0.00 174.94 175.73 3k1f s ALA 671 N 3.26 3.35 0.46 9.38 0.00 -1.26 -5.01 121.76 131.93 3k1f s ALA 671 Ca 0.33 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 3k1f s ALA 671 Cb -0.12 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 3k1f s ALA 671 CO 0.19 0.33 1.10 -0.25 0.00 0.00 0.00 175.76 177.13 3k1f n ASP 672 N 0.01 1.64 -0.12 0.00 9.92 -1.26 -4.68 116.55 122.07 3k1f n ASP 672 Ca 0.02 1.01 -0.12 0.00 -0.53 0.00 0.00 54.79 55.17 3k1f n ASP 672 Cb 0.52 -1.42 -0.07 0.00 -0.64 0.00 0.00 41.12 39.52 3k1f n ASP 672 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3k1f h GLY 673 N 1.51 -0.75 1.51 0.44 0.00 -1.98 0.19 103.07 103.98 3k1f h GLY 673 Ca -0.47 0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.49 3k1f h GLY 673 CO 0.57 -0.16 0.31 -0.56 0.00 0.00 0.00 176.54 176.69 3k1f h PRO 674 N -0.38 0.60 -0.40 4.80 0.13 -1.99 -0.31 132.00 134.45 3k1f h PRO 674 Ca 0.11 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 3k1f h PRO 674 Cb 0.60 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3k1f h PRO 674 CO -0.57 0.39 -0.07 1.15 -0.23 0.00 0.00 178.00 178.67 3k1f h THR 675 N 0.61 1.27 0.00 1.56 2.02 -1.63 -1.09 112.91 115.66 3k1f h THR 675 Ca 0.18 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 3k1f h THR 675 Cb -0.03 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3k1f h THR 675 CO -0.04 0.38 -0.29 0.24 0.37 0.00 0.00 175.52 176.19 3k1f h MET 676 N 0.57 0.00 -0.10 6.66 2.86 -0.18 -1.89 114.93 122.84 3k1f h MET 676 Ca 0.10 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3k1f h MET 676 Cb 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3k1f h MET 676 CO 0.03 0.29 -0.04 -0.09 1.06 0.00 0.00 176.91 178.16 3k1f h ARG 677 N 0.00 0.21 -0.88 1.72 1.12 -0.84 -1.30 114.38 114.42 3k1f h ARG 677 Ca -0.00 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 58.75 3k1f h ARG 677 Cb 0.80 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.71 3k1f h ARG 677 CO 0.04 0.56 0.46 0.93 -3.11 0.00 0.00 179.97 178.85 3k1f h GLU 678 N -0.14 1.23 -0.05 0.20 5.08 -1.00 -1.50 114.58 118.40 3k1f h GLU 678 Ca 0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3k1f h GLU 678 Cb 0.49 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3k1f h GLU 678 CO 0.01 0.91 0.03 0.82 -1.00 0.00 0.00 179.01 179.79 3k1f h ILE 679 N 1.23 1.01 -0.71 3.13 2.04 -1.29 0.18 117.51 123.10 3k1f h ILE 679 Ca 0.31 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 3k1f h ILE 679 Cb 0.05 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3k1f h ILE 679 CO -0.05 0.01 0.34 0.71 0.00 0.00 0.00 178.15 179.16 3k1f h THR 680 N 0.07 1.23 0.00 -0.27 1.35 -0.96 -1.11 112.91 113.22 3k1f h THR 680 Ca 0.02 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3k1f h THR 680 Cb -0.01 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.74 3k1f h THR 680 CO -0.01 0.27 0.00 1.05 -0.25 0.00 0.00 175.52 176.59 3k1f h GLU 681 N 1.01 0.00 0.00 4.72 4.11 -1.00 -1.24 114.58 122.18 3k1f h GLU 681 Ca 0.25 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.53 3k1f h GLU 681 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3k1f h GLU 681 CO -0.03 0.00 -0.69 1.15 0.07 0.00 0.00 179.01 179.51 3k1f h THR 682 N 0.00 1.46 -0.10 -1.06 2.02 0.01 -0.67 112.91 114.56 3k1f h THR 682 Ca 0.00 -2.38 -0.14 0.00 0.77 0.00 0.00 66.41 64.65 3k1f h THR 682 Cb 0.77 2.30 0.01 0.00 -1.74 0.00 0.00 68.15 69.49 3k1f h THR 682 CO 0.00 0.67 -0.50 0.40 0.37 0.00 0.00 175.52 176.46 3k1f h ILE 683 N 0.00 1.37 -0.23 3.11 2.04 -0.86 -3.08 117.51 119.85 3k1f h ILE 683 Ca -0.01 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 64.04 3k1f h ILE 683 Cb 1.24 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 3k1f h ILE 683 CO 0.09 0.55 0.11 0.00 0.00 0.00 0.00 178.15 178.90 3k1f h ALA 684 N 0.47 0.28 -0.48 1.87 0.00 -0.99 0.15 119.26 120.55 3k1f h ALA 684 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3k1f h ALA 684 Cb 1.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3k1f h ALA 684 CO 0.10 -0.30 0.08 1.05 0.00 0.00 0.00 179.25 180.19 3k1f h GLU 685 N 0.24 0.74 -0.30 0.00 -0.00 -1.24 -1.66 114.58 112.36 3k1f h GLU 685 Ca 0.10 -0.16 -0.14 0.00 -0.00 0.00 0.00 59.36 59.16 3k1f h GLU 685 Cb 0.03 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.66 3k1f h GLU 685 CO -0.07 0.70 -0.37 0.00 -0.00 0.00 0.00 179.01 179.26 3k1f h ALA 686 N 1.38 0.79 -0.48 1.06 0.00 -1.40 -0.44 119.26 120.17 3k1f h ALA 686 Ca 0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3k1f h ALA 686 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k1f h ALA 686 CO 0.00 0.65 0.14 0.87 0.00 0.00 0.00 179.25 180.92 3k1f h LYS 687 N 0.57 0.75 -0.20 0.00 1.57 -0.60 0.16 116.57 118.81 3k1f h LYS 687 Ca 0.05 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3k1f h LYS 687 Cb 0.90 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3k1f h LYS 687 CO 0.08 0.71 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.27 3k1f h LYS 688 N 0.64 0.48 -0.95 3.15 3.11 -1.22 -0.75 116.57 121.04 3k1f h LYS 688 Ca 0.15 -0.25 0.07 0.00 -2.81 0.00 0.00 60.65 57.81 3k1f h LYS 688 Cb 0.28 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.45 3k1f h LYS 688 CO -0.00 0.82 0.61 -0.22 -2.81 0.00 0.00 179.45 177.85 3k1f h LYS 689 N 0.16 1.05 0.00 1.90 3.64 -0.96 -0.70 116.57 121.66 3k1f h LYS 689 Ca 0.03 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3k1f h LYS 689 Cb 0.72 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3k1f h LYS 689 CO 0.05 0.69 -0.77 -0.24 -2.27 0.00 0.00 179.45 176.91 3k1f h VAL 690 N 1.08 1.47 -0.06 2.00 3.04 -0.63 -3.18 116.25 119.97 3k1f h VAL 690 Ca 0.41 -2.70 -0.13 0.00 -1.01 0.00 0.00 66.70 63.27 3k1f h VAL 690 Cb 0.20 2.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 3k1f h VAL 690 CO -0.16 0.75 -0.53 0.25 -1.01 0.00 0.00 177.57 176.87 3k1f h LEU 691 N 0.00 0.20 0.09 3.16 5.85 0.03 -2.62 115.31 122.01 3k1f h LEU 691 Ca -0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3k1f h LEU 691 Cb 1.43 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3k1f h LEU 691 CO 0.10 0.69 -0.04 0.44 -0.34 0.00 0.00 178.44 179.29 3k1f h ASP 692 N 0.14 -0.10 0.44 1.25 3.32 -1.16 -0.07 116.42 120.23 3k1f h ASP 692 Ca 0.00 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3k1f h ASP 692 Cb 0.98 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3k1f h ASP 692 CO 0.08 0.14 -0.19 0.58 -1.72 0.00 0.00 179.24 178.13 3k1f h VAL 693 N -0.35 0.73 -0.28 -1.35 2.07 -1.60 -1.46 116.25 114.01 3k1f h VAL 693 Ca -0.01 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 66.55 3k1f h VAL 693 Cb 0.29 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3k1f h VAL 693 CO 0.02 0.18 -0.56 0.74 0.02 0.00 0.00 177.57 177.98 3k1f h THR 694 N 0.00 1.27 -0.15 2.57 2.02 -1.22 -3.11 112.91 114.29 3k1f h THR 694 Ca -0.00 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.43 3k1f h THR 694 Cb 0.46 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3k1f h THR 694 CO 0.02 0.57 0.09 0.11 0.37 0.00 0.00 175.52 176.68 3k1f h LYS 695 N 0.66 0.21 -0.77 6.66 1.57 -0.10 -2.84 116.57 121.95 3k1f h LYS 695 Ca 0.01 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 3k1f h LYS 695 Cb 1.17 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.31 3k1f h LYS 695 CO 0.12 0.19 0.13 0.93 -0.57 0.00 0.00 179.45 180.26 3k1f h GLU 696 N 0.16 0.19 -0.21 3.15 5.08 -1.26 -1.26 114.58 120.44 3k1f h GLU 696 Ca 0.05 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3k1f h GLU 696 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3k1f h GLU 696 CO -0.01 0.13 -0.46 0.00 -1.00 0.00 0.00 179.01 177.67 3k1f h ALA 697 N 1.68 0.81 -0.30 3.43 0.00 -1.47 0.73 119.26 124.13 3k1f h ALA 697 Ca 0.44 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3k1f h ALA 697 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3k1f h ALA 697 CO -0.59 0.66 0.13 1.96 0.00 0.00 0.00 179.25 181.41 3k1f h GLN 698 N 0.43 0.44 -0.34 0.00 4.20 -1.00 -2.87 115.11 115.97 3k1f h GLN 698 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3k1f h GLN 698 Cb 0.97 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3k1f h GLN 698 CO 0.09 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 3k1f n ALA 699 N -2.26 2.46 -3.39 3.87 0.00 -1.01 -5.00 120.51 115.18 3k1f n ALA 699 Ca -0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 53.44 52.48 3k1f n ALA 699 Cb 0.12 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.59 3k1f n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k1f n ASN 700 N 0.85 -6.28 0.00 0.00 5.15 -0.90 -4.98 115.26 109.11 3k1f n ASN 700 Ca 0.17 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 3k1f n ASN 700 Cb 0.43 -3.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.41 3k1f n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3k1f n LEU 701 N -1.62 0.00 -4.75 1.20 4.77 0.20 -5.02 117.00 111.78 3k1f n LEU 701 Ca -0.12 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.27 3k1f n LEU 701 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 3k1f n LEU 701 CO 0.57 0.00 0.44 -0.22 -1.33 0.00 0.00 177.39 176.85 3k1f s LEU 702 N -1.27 4.44 -0.17 2.23 0.20 -1.23 -5.05 118.68 117.83 3k1f s LEU 702 Ca 0.00 1.39 -0.05 0.00 0.69 0.00 0.00 54.13 56.16 3k1f s LEU 702 Cb 0.00 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 3k1f s LEU 702 CO 0.00 0.02 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.19 3k1f s THR 703 N -0.02 4.18 0.38 3.68 2.01 -1.26 -4.98 115.64 119.64 3k1f s THR 703 Ca 0.37 -0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 3k1f s THR 703 Cb -0.20 -2.86 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 3k1f s THR 703 CO 0.22 0.48 1.26 0.00 -0.69 0.00 0.00 174.62 175.88 3k1f s ALA 704 N 0.44 3.29 0.73 7.40 0.00 -1.26 -5.04 121.76 127.31 3k1f s ALA 704 Ca -0.01 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3k1f s ALA 704 Cb -0.14 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.56 3k1f s ALA 704 CO 0.02 -0.68 1.08 0.15 0.00 0.00 0.00 175.76 176.33 3k1f s LYS 705 N -2.12 2.57 -0.37 0.00 1.02 -1.26 -4.89 119.74 114.68 3k1f s LYS 705 Ca 0.55 1.15 -0.37 0.00 0.02 0.00 0.00 55.97 57.31 3k1f s LYS 705 Cb -0.36 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 34.88 3k1f s LYS 705 CO 0.47 -1.40 2.17 1.58 -0.92 0.00 0.00 175.35 177.24 3k1f n HIS 706 N -3.18 1.54 -0.89 3.18 -0.00 -1.26 -1.73 115.22 112.87 3k1f n HIS 706 Ca 0.09 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.63 3k1f n HIS 706 Cb 0.53 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 3k1f n HIS 706 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3k1f n GLY 707 N 6.65 0.69 3.22 1.57 0.00 -1.26 -4.96 105.19 111.10 3k1f n GLY 707 Ca 0.43 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 3k1f n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k1f s MET 708 N -1.89 0.96 0.63 1.61 1.00 -0.70 -5.07 119.30 115.84 3k1f s MET 708 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 55.69 54.39 3k1f s MET 708 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 34.83 33.95 3k1f s MET 708 CO 0.00 0.17 1.05 0.99 0.00 0.00 0.00 175.02 177.22 3k1f s THR 709 N -1.97 4.12 -0.57 2.05 2.01 -1.26 -4.62 115.64 115.39 3k1f s THR 709 Ca 0.06 0.81 0.18 0.00 0.31 0.00 0.00 61.69 63.05 3k1f s THR 709 Cb -0.06 -3.50 0.18 0.00 0.01 0.00 0.00 72.50 69.13 3k1f s THR 709 CO 0.03 -0.78 1.54 0.18 -0.69 0.00 0.00 174.62 174.90 3k1f n LEU 710 N -2.58 0.41 -0.02 4.42 4.32 -1.26 -1.25 117.00 121.04 3k1f n LEU 710 Ca 0.08 0.64 -0.21 0.00 -0.02 0.00 0.00 56.01 56.49 3k1f n LEU 710 Cb 0.53 -0.63 -0.13 0.00 -1.62 0.00 0.00 43.42 41.57 3k1f n LEU 710 CO 0.52 -0.61 -0.85 0.54 -1.22 0.00 0.00 177.39 175.77 3k1f n ARG 711 N -2.00 0.72 0.18 3.23 1.74 -1.26 -3.61 116.66 115.67 3k1f n ARG 711 Ca 0.01 0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 57.23 3k1f n ARG 711 Cb 0.13 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 3k1f n ARG 711 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3k1f h GLU 712 N -0.08 -0.37 0.00 5.56 5.08 -1.70 -1.20 114.58 121.88 3k1f h GLU 712 Ca -0.44 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 3k1f h GLU 712 Cb 1.93 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 3k1f h GLU 712 CO 0.03 -0.25 -0.28 0.77 -1.00 0.00 0.00 179.01 178.28 3k1f h SER 713 N -0.39 0.00 0.07 1.42 0.02 -1.39 -1.26 113.55 112.02 3k1f h SER 713 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3k1f h SER 713 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3k1f h SER 713 CO 0.07 0.28 -0.03 0.15 -1.14 0.00 0.00 176.83 176.15 3k1f h PHE 714 N 0.00 -0.09 0.00 3.45 3.57 -1.57 -3.13 116.94 119.17 3k1f h PHE 714 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3k1f h PHE 714 Cb 0.54 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3k1f h PHE 714 CO 0.00 0.45 -0.20 0.93 -2.23 0.00 0.00 178.31 177.26 3k1f h GLU 715 N -0.70 0.00 0.08 1.11 4.39 -1.14 -1.36 114.58 116.96 3k1f h GLU 715 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k1f h GLU 715 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3k1f h GLU 715 CO 0.02 0.20 -0.04 0.22 -1.16 0.00 0.00 179.01 178.24 3k1f h ASP 716 N 0.00 -0.09 -0.47 1.42 1.82 -1.28 -0.40 116.42 117.41 3k1f h ASP 716 Ca -0.00 -0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.48 3k1f h ASP 716 Cb 0.46 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 3k1f h ASP 716 CO 0.03 0.06 0.12 0.78 -1.61 0.00 0.00 179.24 178.61 3k1f h ASN 717 N -0.24 0.71 0.50 2.28 2.35 -1.45 -1.65 115.58 118.07 3k1f h ASN 717 Ca -0.01 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 3k1f h ASN 717 Cb 0.21 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3k1f h ASN 717 CO 0.02 0.76 -0.40 0.58 -1.65 0.00 0.00 177.43 176.73 3k1f h VAL 718 N 0.63 0.00 -0.53 2.81 2.07 -1.19 -2.63 116.25 117.42 3k1f h VAL 718 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.77 3k1f h VAL 718 Cb 0.32 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 3k1f h VAL 718 CO 0.00 0.00 0.04 0.58 0.02 0.00 0.00 177.57 178.22 3k1f h VAL 719 N -0.87 0.63 -1.00 2.57 2.07 -1.11 -1.31 116.25 117.23 3k1f h VAL 719 Ca -0.07 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 67.61 3k1f h VAL 719 Cb 0.73 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 3k1f h VAL 719 CO 0.01 0.03 0.62 -0.09 0.02 0.00 0.00 177.57 178.15 3k1f h ARG 720 N 0.17 0.63 -0.06 1.57 2.43 -1.19 -1.24 114.38 116.68 3k1f h ARG 720 Ca 0.27 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 3k1f h ARG 720 Cb 0.40 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3k1f h ARG 720 CO -0.41 0.42 -0.73 0.74 -1.51 0.00 0.00 179.97 178.48 3k1f h PHE 721 N 0.65 0.85 -0.44 2.20 0.05 -0.87 -2.36 116.94 117.02 3k1f h PHE 721 Ca 0.57 -0.42 -0.13 0.00 3.82 0.00 0.00 57.97 61.82 3k1f h PHE 721 Cb 1.05 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.87 3k1f h PHE 721 CO -0.00 1.23 -0.23 -0.07 -0.18 0.00 0.00 178.31 179.07 3k1f h LEU 722 N 0.23 0.93 -0.20 1.54 4.07 -1.18 -0.27 115.31 120.43 3k1f h LEU 722 Ca -0.07 -0.35 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 3k1f h LEU 722 Cb 1.39 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 3k1f h LEU 722 CO 0.15 1.11 -0.14 -1.13 -1.08 0.00 0.00 178.44 177.34 3k1f h ASN 723 N 0.78 0.47 0.06 -0.43 -1.24 -1.36 -1.44 115.58 112.42 3k1f h ASN 723 Ca 0.10 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.69 3k1f h ASN 723 Cb 0.78 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.65 3k1f h ASN 723 CO 0.06 0.81 -0.48 -0.33 -1.29 0.00 0.00 177.43 176.21 3k1f h GLU 724 N 0.13 -0.64 -0.69 6.67 5.08 -1.29 -1.54 114.58 122.30 3k1f h GLU 724 Ca 0.04 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3k1f h GLU 724 Cb 0.66 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 3k1f h GLU 724 CO 0.04 -0.43 0.42 0.00 -1.00 0.00 0.00 179.01 178.04 3k1f h ALA 725 N -0.29 0.90 0.01 3.43 0.00 -1.08 0.12 119.26 122.35 3k1f h ALA 725 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k1f h ALA 725 Cb 0.71 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3k1f h ALA 725 CO -0.30 0.18 -0.39 -0.09 0.00 0.00 0.00 179.25 178.65 3k1f h ARG 726 N 0.82 -0.54 -0.73 0.00 2.43 -0.82 -0.93 114.38 114.60 3k1f h ARG 726 Ca 0.28 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3k1f h ARG 726 Cb 0.04 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3k1f h ARG 726 CO -0.12 -0.36 0.25 -0.44 -1.51 0.00 0.00 179.97 177.80 3k1f h ASP 727 N -0.56 1.05 -0.09 -3.80 5.19 -1.03 -1.83 116.42 115.35 3k1f h ASP 727 Ca 0.05 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.30 3k1f h ASP 727 Cb 0.63 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.82 3k1f h ASP 727 CO -0.30 0.96 -0.26 0.11 -3.12 0.00 0.00 179.24 176.64 3k1f h LYS 728 N 1.07 -0.33 -0.63 3.56 1.57 -0.33 -0.01 116.57 121.48 3k1f h LYS 728 Ca 0.24 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3k1f h LYS 728 Cb 0.27 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3k1f h LYS 728 CO -0.01 -0.22 0.21 0.00 -0.57 0.00 0.00 179.45 178.86 3k1f h ALA 729 N 0.55 1.20 -0.01 3.86 0.00 -1.13 -1.35 119.26 122.38 3k1f h ALA 729 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3k1f h ALA 729 Cb 0.48 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3k1f h ALA 729 CO -0.29 0.57 -0.23 0.78 0.00 0.00 0.00 179.25 180.08 3k1f h GLY 730 N 1.02 -0.33 1.24 0.00 0.00 -0.38 -1.67 103.07 102.95 3k1f h GLY 730 Ca 0.21 0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.75 3k1f h GLY 730 CO -0.01 -0.20 0.09 3.21 0.00 0.00 0.00 176.54 179.63 3k1f h ARG 731 N -0.36 0.93 -0.45 4.80 3.08 -0.84 -1.59 114.38 119.96 3k1f h ARG 731 Ca 0.06 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.95 3k1f h ARG 731 Cb 0.44 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 3k1f h ARG 731 CO -0.22 0.87 0.12 1.25 -1.07 0.00 0.00 179.97 180.92 3k1f h LEU 732 N 0.88 0.07 0.00 3.04 6.46 -0.71 -2.47 115.31 122.58 3k1f h LEU 732 Ca 0.18 0.07 -0.25 0.00 -0.12 0.00 0.00 57.88 57.75 3k1f h LEU 732 Cb 0.40 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3k1f h LEU 732 CO 0.01 0.07 -1.12 0.00 -0.62 0.00 0.00 178.44 176.78 3k1f h ALA 733 N 1.33 0.21 -0.15 1.25 0.00 -1.26 -3.32 119.26 117.33 3k1f h ALA 733 Ca 0.22 -0.82 0.05 0.00 0.00 0.00 0.00 54.91 54.36 3k1f h ALA 733 Cb 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3k1f h ALA 733 CO -0.26 0.93 -0.23 1.49 0.00 0.00 0.00 179.25 181.17 3k1f h GLU 734 N 0.12 -0.28 -0.19 0.00 4.81 -0.90 -2.63 114.58 115.51 3k1f h GLU 734 Ca -0.11 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 3k1f h GLU 734 Cb 1.82 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 3k1f h GLU 734 CO 0.19 -0.19 -0.30 0.28 -0.73 0.00 0.00 179.01 178.26 3k1f h VAL 735 N -0.29 1.27 -0.01 0.32 2.07 -1.62 -2.91 116.25 115.09 3k1f h VAL 735 Ca 0.11 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3k1f h VAL 735 Cb 0.45 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3k1f h VAL 735 CO -0.31 0.40 0.00 -1.13 0.02 0.00 0.00 177.57 176.56 3k1f h ASN 736 N 0.32 0.00 -3.38 0.57 -0.73 -1.57 -3.42 115.58 107.37 3k1f h ASN 736 Ca 0.04 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.69 3k1f h ASN 736 Cb 0.69 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.34 3k1f h ASN 736 CO 0.05 0.00 0.74 -0.76 -0.37 0.00 0.00 177.43 177.10 3k1f s LEU 737 N -8.95 4.39 0.64 0.34 1.43 -1.10 -4.99 118.68 110.44 3k1f s LEU 737 Ca -0.05 2.63 -0.05 0.00 -1.03 0.00 0.00 54.13 55.63 3k1f s LEU 737 Cb 0.17 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.81 3k1f s LEU 737 CO 0.66 -0.68 0.94 -1.59 0.23 0.00 0.00 176.35 175.91 3k1f s LYS 738 N -0.35 2.45 0.55 1.70 0.00 -1.26 -4.98 119.74 117.84 3k1f s LYS 738 Ca 0.59 -0.29 0.36 0.00 0.00 0.00 0.00 55.97 56.63 3k1f s LYS 738 Cb -0.41 -2.26 1.72 0.00 0.00 0.00 0.00 37.83 36.88 3k1f s LYS 738 CO 0.43 -1.00 2.08 -0.44 0.00 0.00 0.00 175.35 176.41 3k1f h ASP 739 N -0.36 0.00 0.35 0.03 5.19 -1.97 -1.74 116.42 117.92 3k1f h ASP 739 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3k1f h ASP 739 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3k1f h ASP 739 CO 0.59 0.00 -0.06 0.00 -3.12 0.00 0.00 179.24 176.65 3k1f n LEU 740 N -2.92 0.30 -4.71 1.55 -0.00 -1.26 -4.78 117.00 105.18 3k1f n LEU 740 Ca -0.01 0.07 -0.42 0.00 -0.00 0.00 0.00 56.01 55.65 3k1f n LEU 740 Cb 0.19 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.40 3k1f n LEU 740 CO 0.22 0.06 0.87 0.21 -0.00 0.00 0.00 177.39 178.75 3k1f s ASN 741 N -2.41 7.10 0.02 1.45 2.47 -0.66 -4.98 114.94 117.93 3k1f s ASN 741 Ca 0.32 2.01 -0.22 0.00 0.42 0.00 0.00 52.86 55.39 3k1f s ASN 741 Cb 0.20 -2.58 -0.16 0.00 -1.45 0.00 0.00 41.25 37.27 3k1f s ASN 741 CO 0.45 -0.45 1.34 0.78 -3.72 0.00 0.00 177.10 175.50 3k1f h ASN 742 N 6.71 0.25 -0.66 -4.21 2.35 -1.89 -1.32 115.58 116.82 3k1f h ASN 742 Ca -0.42 -0.46 0.07 0.00 -0.55 0.00 0.00 56.30 54.94 3k1f h ASN 742 Cb 1.21 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.46 3k1f h ASN 742 CO 0.80 0.66 0.35 0.58 -1.65 0.00 0.00 177.43 178.17 3k1f h VAL 743 N -0.16 0.92 -0.29 2.81 2.07 -1.94 -0.77 116.25 118.90 3k1f h VAL 743 Ca 0.02 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3k1f h VAL 743 Cb 0.58 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3k1f h VAL 743 CO 0.02 0.11 0.13 0.50 0.02 0.00 0.00 177.57 178.36 3k1f h LYS 744 N 0.62 0.27 -0.67 1.57 3.64 -1.89 -1.68 116.57 118.44 3k1f h LYS 744 Ca 0.31 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3k1f h LYS 744 Cb 0.25 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3k1f h LYS 744 CO -0.21 0.18 0.44 1.96 -2.27 0.00 0.00 179.45 179.55 3k1f h GLN 745 N 0.28 0.88 -0.76 1.90 4.20 -0.14 0.12 115.11 121.59 3k1f h GLN 745 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3k1f h GLN 745 Cb 0.05 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3k1f h GLN 745 CO -0.09 0.58 0.43 0.52 -0.67 0.00 0.00 178.83 179.60 3k1f h MET 746 N 0.91 1.05 -0.13 1.46 2.86 -0.89 -0.88 114.93 119.31 3k1f h MET 746 Ca 0.25 -0.12 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 3k1f h MET 746 Cb -0.10 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.36 3k1f h MET 746 CO -0.06 0.77 -0.77 0.28 1.06 0.00 0.00 176.91 178.20 3k1f h VAL 747 N 1.05 1.30 -0.92 -2.22 2.07 -1.04 -1.06 116.25 115.43 3k1f h VAL 747 Ca 0.27 -2.02 0.06 0.00 0.82 0.00 0.00 66.70 65.83 3k1f h VAL 747 Cb 0.02 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3k1f h VAL 747 CO -0.05 0.63 0.60 0.24 0.02 0.00 0.00 177.57 179.02 3k1f h MET 748 N 0.47 1.06 0.09 1.57 2.07 -0.37 -1.81 114.93 118.01 3k1f h MET 748 Ca -0.05 -0.06 -0.28 0.00 -2.07 0.00 0.00 59.70 57.24 3k1f h MET 748 Cb 1.38 -0.24 0.03 0.00 -1.87 0.00 0.00 31.60 30.90 3k1f h MET 748 CO 0.15 0.70 -1.14 0.00 1.07 0.00 0.00 176.91 177.69 3k1f h ALA 749 N 1.49 0.01 0.00 6.32 0.00 -1.19 -3.46 119.26 122.44 3k1f h ALA 749 Ca 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k1f h ALA 749 Cb 0.13 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k1f h ALA 749 CO -0.14 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3k1f n GLY 750 N 1.32 2.34 0.28 0.00 0.00 -0.44 -1.16 105.19 107.53 3k1f n GLY 750 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 3k1f n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1f n SER 751 N 0.00 -0.64 -3.67 1.61 3.41 -0.99 -4.68 113.62 108.67 3k1f n SER 751 Ca 0.00 1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 59.69 3k1f n SER 751 Cb 0.00 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3k1f n SER 751 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k1f s LYS 752 N -5.45 0.72 0.00 4.33 -0.14 -1.24 -4.53 119.74 113.44 3k1f s LYS 752 Ca -0.09 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 3k1f s LYS 752 Cb 0.10 0.35 0.00 0.00 -1.68 0.00 0.00 37.83 36.59 3k1f s LYS 752 CO 0.45 -0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 3k1f n GLY 753 N 2.28 0.81 3.70 -3.33 0.00 -1.26 -3.74 105.19 103.64 3k1f n GLY 753 Ca -0.15 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3k1f n GLY 753 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1f s SER 754 N -0.86 -0.04 0.24 1.61 1.04 -1.26 -4.76 113.70 109.67 3k1f s SER 754 Ca 0.00 -0.90 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 3k1f s SER 754 Cb 0.00 0.68 0.41 0.00 0.10 0.00 0.00 66.02 67.21 3k1f s SER 754 CO 0.00 -1.31 1.77 0.15 0.98 0.00 0.00 173.24 174.84 3k1f h PHE 755 N 2.12 0.68 -0.50 5.02 3.57 -2.00 -1.83 116.94 123.99 3k1f h PHE 755 Ca -0.25 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.34 3k1f h PHE 755 Cb 1.25 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 3k1f h PHE 755 CO 0.65 0.21 0.22 0.82 -2.23 0.00 0.00 178.31 177.98 3k1f h ILE 756 N 0.61 0.90 0.28 1.41 1.08 -1.99 -0.84 117.51 118.96 3k1f h ILE 756 Ca 0.40 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.70 3k1f h ILE 756 Cb 0.48 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3k1f h ILE 756 CO -0.31 0.08 -0.13 0.78 -0.69 0.00 0.00 178.15 177.88 3k1f h ASN 757 N 0.43 -0.31 -0.12 1.72 2.35 -1.80 -1.78 115.58 116.07 3k1f h ASN 757 Ca 0.23 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3k1f h ASN 757 Cb 0.19 0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3k1f h ASN 757 CO -0.19 -0.17 -0.19 0.40 -1.65 0.00 0.00 177.43 175.62 3k1f h ILE 758 N -0.44 0.51 -0.20 2.81 2.04 -1.03 -2.32 117.51 118.89 3k1f h ILE 758 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3k1f h ILE 758 Cb 0.33 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3k1f h ILE 758 CO 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.02 3k1f h ALA 759 N 0.75 -0.08 -0.39 1.87 0.00 -1.13 -0.93 119.26 119.35 3k1f h ALA 759 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3k1f h ALA 759 Cb 0.39 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3k1f h ALA 759 CO -0.27 -0.63 0.05 1.96 0.00 0.00 0.00 179.25 180.37 3k1f h GLN 760 N -0.21 0.59 0.01 0.00 4.20 -1.09 -1.04 115.11 117.57 3k1f h GLN 760 Ca 0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3k1f h GLN 760 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3k1f h GLN 760 CO -0.32 0.58 -0.00 0.52 -0.67 0.00 0.00 178.83 178.93 3k1f h MET 761 N 0.58 -0.01 0.00 1.46 2.86 -1.21 -1.33 114.93 117.27 3k1f h MET 761 Ca 0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3k1f h MET 761 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3k1f h MET 761 CO 0.00 0.75 -0.01 0.77 1.06 0.00 0.00 176.91 179.49 3k1f h SER 762 N -0.97 0.00 0.00 1.22 0.02 -1.21 -1.10 113.55 111.51 3k1f h SER 762 Ca -0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3k1f h SER 762 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3k1f h SER 762 CO 0.00 0.83 -0.06 0.00 -1.14 0.00 0.00 176.83 176.46 3k1f n ALA 763 N -2.67 0.05 -3.53 3.77 0.00 -0.45 -4.71 120.51 112.97 3k1f n ALA 763 Ca -0.07 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 3k1f n ALA 763 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 3k1f n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f h VAL 765 N 3.83 1.36 0.00 0.00 2.07 -0.73 -3.27 116.25 119.51 3k1f h VAL 765 Ca -0.28 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3k1f h VAL 765 Cb 1.16 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 3k1f h VAL 765 CO 0.18 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3k1f n GLY 766 N 0.88 -0.55 3.69 2.17 0.00 -0.34 -4.80 105.19 106.25 3k1f n GLY 766 Ca -0.09 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 3k1f n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k1f s GLN 767 N -0.25 4.43 -0.32 1.61 2.00 -1.26 -1.26 119.66 124.61 3k1f s GLN 767 Ca 0.00 1.51 -0.11 0.00 -2.00 0.00 0.00 55.36 54.76 3k1f s GLN 767 Cb 0.00 -3.51 -0.02 0.00 0.80 0.00 0.00 33.01 30.28 3k1f s GLN 767 CO 0.00 -0.29 0.20 -0.65 -0.50 0.00 0.00 175.29 174.04 3k1f s GLN 768 N 1.77 3.50 -0.05 1.67 1.11 -0.40 -4.98 119.66 122.28 3k1f s GLN 768 Ca 0.52 -0.62 0.05 0.00 0.01 0.00 0.00 55.36 55.32 3k1f s GLN 768 Cb -0.22 -3.68 -0.02 0.00 -1.01 0.00 0.00 33.01 28.08 3k1f s GLN 768 CO 0.22 -0.39 -0.20 -1.12 0.01 0.00 0.00 175.29 173.81 3k1f s SER 769 N 1.68 3.52 -0.23 5.90 0.01 -1.26 -3.76 113.70 119.57 3k1f s SER 769 Ca 0.06 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 3k1f s SER 769 Cb -0.17 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 3k1f s SER 769 CO 0.09 0.30 0.03 -0.69 0.41 0.00 0.00 173.24 173.39 3k1f s VAL 770 N -0.50 4.06 -1.15 3.43 1.01 -0.88 -4.48 120.40 121.87 3k1f s VAL 770 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3k1f s VAL 770 Cb -0.11 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3k1f s VAL 770 CO 0.01 0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.87 3k1f n GLU 771 N 4.74 -0.86 0.00 2.72 1.02 -1.26 -3.55 120.64 123.45 3k1f n GLU 771 Ca -0.17 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3k1f n GLU 771 Cb 0.51 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 3k1f n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 772 N -1.34 2.90 3.76 0.62 0.00 -1.26 -5.03 105.19 104.84 3k1f n GLY 772 Ca -0.13 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3k1f n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1f s LYS 773 N 0.00 4.58 0.84 1.61 3.01 -1.23 -4.86 119.74 123.69 3k1f s LYS 773 Ca 0.00 1.80 -0.13 0.00 -1.01 0.00 0.00 55.97 56.63 3k1f s LYS 773 Cb 0.00 -3.13 0.07 0.00 -1.01 0.00 0.00 37.83 33.77 3k1f s LYS 773 CO 0.00 0.16 1.00 2.89 0.51 0.00 0.00 175.35 179.91 3k1f n ARG 774 N 1.06 0.02 -1.48 1.68 1.85 -1.26 -2.08 116.66 116.45 3k1f n ARG 774 Ca -0.01 0.08 -0.60 0.00 -1.00 0.00 0.00 57.85 56.32 3k1f n ARG 774 Cb 0.45 -2.27 -0.10 0.00 -1.05 0.00 0.00 32.46 29.49 3k1f n ARG 774 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3k1f n ILE 775 N -3.40 0.08 -1.91 8.89 2.08 -0.42 -4.69 119.36 119.99 3k1f n ILE 775 Ca 0.12 -0.05 -0.29 0.00 0.56 0.00 0.00 62.75 63.08 3k1f n ILE 775 Cb 0.51 -0.82 0.10 0.00 -0.75 0.00 0.00 39.64 38.68 3k1f n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k1f s ALA 776 N 5.14 2.63 -0.90 -1.39 0.00 -1.26 -4.56 121.76 121.42 3k1f s ALA 776 Ca 1.11 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 3k1f s ALA 776 Cb -1.32 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 18.93 3k1f s ALA 776 CO 0.67 -1.74 1.30 -0.06 0.00 0.00 0.00 175.76 175.94 3k1f s PHE 777 N -3.60 2.59 0.31 0.00 0.40 -1.26 -4.72 117.98 111.70 3k1f s PHE 777 Ca 0.63 -0.72 0.12 0.00 -0.60 0.00 0.00 56.93 56.36 3k1f s PHE 777 Cb -0.10 -4.57 0.52 0.00 0.51 0.00 0.00 43.02 39.38 3k1f s PHE 777 CO 0.49 -1.87 1.71 0.78 0.70 0.00 0.00 175.22 177.04 3k1f h GLY 778 N 12.30 0.00 -2.80 4.36 0.00 -1.79 -3.44 103.07 111.69 3k1f h GLY 778 Ca 0.03 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.86 3k1f h GLY 778 CO 1.31 0.00 -0.49 -1.36 0.00 0.00 0.00 176.54 176.00 3k1f s PHE 779 N -3.86 3.06 -0.86 5.60 0.40 -0.96 -5.00 117.98 116.36 3k1f s PHE 779 Ca -0.02 -0.17 -0.24 0.00 -0.60 0.00 0.00 56.93 55.90 3k1f s PHE 779 Cb 0.13 -1.55 -0.21 0.00 0.51 0.00 0.00 43.02 41.90 3k1f s PHE 779 CO 0.74 0.39 2.47 0.28 0.70 0.00 0.00 175.22 179.81 3k1f n VAL 780 N -1.27 -0.02 -1.38 -0.44 0.31 -1.26 -1.60 118.33 112.67 3k1f n VAL 780 Ca -0.06 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.78 3k1f n VAL 780 Cb 0.58 -1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 3k1f n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3k1f n ASP 781 N 11.53 -4.22 -3.95 4.52 8.00 -1.26 -4.78 116.55 126.38 3k1f n ASP 781 Ca 0.58 0.35 -0.15 0.00 0.71 0.00 0.00 54.79 56.28 3k1f n ASP 781 Cb 0.22 -3.69 -0.14 0.00 -0.02 0.00 0.00 41.12 37.49 3k1f n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1f s ARG 782 N -3.13 0.36 -0.03 -1.24 1.70 -0.63 -0.54 118.95 115.45 3k1f s ARG 782 Ca 0.00 -0.21 -0.24 0.00 -0.47 0.00 0.00 55.73 54.81 3k1f s ARG 782 Cb 0.00 -0.33 -0.21 0.00 -0.57 0.00 0.00 34.95 33.85 3k1f s ARG 782 CO 0.00 0.09 1.16 1.79 -1.08 0.00 0.00 175.30 177.26 3k1f h THR 783 N 4.99 1.47 -3.30 4.99 1.35 -1.84 -2.54 112.91 118.03 3k1f h THR 783 Ca -0.28 -1.57 -0.36 0.00 -0.55 0.00 0.00 66.41 63.64 3k1f h THR 783 Cb 1.20 2.41 -0.15 0.00 -1.73 0.00 0.00 68.15 69.88 3k1f h THR 783 CO 0.49 0.43 -0.72 -0.76 -0.25 0.00 0.00 175.52 174.71 3k1f s LEU 784 N -8.85 2.52 0.30 3.87 1.43 -1.26 -4.53 118.68 112.17 3k1f s LEU 784 Ca -0.16 -0.99 0.24 0.00 -1.03 0.00 0.00 54.13 52.20 3k1f s LEU 784 Cb 0.02 -0.44 1.09 0.00 0.03 0.00 0.00 46.19 46.88 3k1f s LEU 784 CO 0.72 -0.27 1.74 -0.65 0.23 0.00 0.00 176.35 178.11 3k1f h PRO 785 N 2.82 0.00 0.00 1.29 0.11 -2.00 -1.62 132.00 132.61 3k1f h PRO 785 Ca -0.37 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 3k1f h PRO 785 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3k1f h PRO 785 CO 0.62 0.00 -0.61 0.45 -0.21 0.00 0.00 178.00 178.24 3k1f h HIS 786 N 0.00 0.00 -3.13 0.65 3.86 -2.00 -3.45 115.15 111.09 3k1f h HIS 786 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 3k1f h HIS 786 Cb 0.28 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 3k1f h HIS 786 CO 0.00 0.61 -0.24 -0.06 0.86 0.00 0.00 177.93 179.11 3k1f s PHE 787 N -3.54 3.58 0.82 2.45 0.40 -0.61 -5.11 117.98 115.98 3k1f s PHE 787 Ca -0.01 0.80 -0.12 0.00 -0.60 0.00 0.00 56.93 57.00 3k1f s PHE 787 Cb 0.12 -2.17 0.09 0.00 0.51 0.00 0.00 43.02 41.57 3k1f s PHE 787 CO 0.76 0.51 1.16 -1.54 0.70 0.00 0.00 175.22 176.81 3k1f s SER 788 N -1.78 4.34 0.70 1.36 1.04 -1.26 -4.70 113.70 113.40 3k1f s SER 788 Ca 0.34 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.49 3k1f s SER 788 Cb -0.14 -1.42 0.02 0.00 0.10 0.00 0.00 66.02 64.58 3k1f s SER 788 CO 0.18 -2.02 1.17 -0.54 0.98 0.00 0.00 173.24 173.01 3k1f s LYS 789 N -5.47 2.44 -1.12 4.02 1.02 -1.26 -3.95 119.74 115.42 3k1f s LYS 789 Ca 0.62 1.61 0.00 0.00 0.02 0.00 0.00 55.97 58.22 3k1f s LYS 789 Cb -0.12 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3k1f s LYS 789 CO 0.50 -1.57 0.00 -0.25 -0.92 0.00 0.00 175.35 173.11 3k1f n ASP 790 N -2.55 -3.85 -4.50 2.83 9.92 0.30 -4.93 116.55 113.78 3k1f n ASP 790 Ca 0.12 0.21 -0.42 0.00 -0.53 0.00 0.00 54.79 54.17 3k1f n ASP 790 Cb 0.51 -3.32 -0.03 0.00 -0.64 0.00 0.00 41.12 37.64 3k1f n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3k1f s ASP 791 N -2.04 6.31 0.00 -2.24 2.15 -1.25 -4.85 116.67 114.74 3k1f s ASP 791 Ca 0.00 -1.12 0.27 0.00 0.43 0.00 0.00 52.55 52.13 3k1f s ASP 791 Cb 0.00 -2.48 0.89 0.00 -0.30 0.00 0.00 42.92 41.03 3k1f s ASP 791 CO 0.00 -1.49 1.65 -1.22 -0.17 0.00 0.00 175.17 173.94 3k1f n TYR 792 N 8.14 0.00 -0.85 -5.34 4.02 -1.26 -4.57 117.16 117.30 3k1f n TYR 792 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.65 3k1f n TYR 792 Cb 0.48 -0.09 0.12 0.00 -0.02 0.00 0.00 39.34 39.82 3k1f n TYR 792 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3k1f n SER 793 N -0.45 -1.86 -0.07 7.72 3.41 -1.26 -4.66 113.62 116.44 3k1f n SER 793 Ca 0.14 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 59.04 3k1f n SER 793 Cb 0.34 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.06 3k1f n SER 793 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3k1f h PRO 794 N -1.43 0.18 -0.90 4.33 0.13 -1.96 -2.46 132.00 129.89 3k1f h PRO 794 Ca -0.44 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 3k1f h PRO 794 Cb 1.29 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 3k1f h PRO 794 CO 0.36 0.12 0.56 1.05 -0.23 0.00 0.00 178.00 179.85 3k1f h GLU 795 N 0.19 0.96 0.23 0.86 -0.00 -1.93 -0.24 114.58 114.64 3k1f h GLU 795 Ca 0.12 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.42 3k1f h GLU 795 Cb 0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 28.65 3k1f h GLU 795 CO -0.15 0.63 -0.11 1.03 -0.00 0.00 0.00 179.01 180.41 3k1f h SER 796 N 0.99 -0.26 0.00 3.06 0.87 -1.85 -3.22 113.55 113.14 3k1f h SER 796 Ca 0.41 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3k1f h SER 796 Cb 0.24 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3k1f h SER 796 CO -0.20 0.11 0.00 0.29 -0.53 0.00 0.00 176.83 176.50 3k1f n LYS 797 N -5.07 0.73 0.00 2.24 4.76 -0.94 -4.80 118.16 115.08 3k1f n LYS 797 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3k1f n LYS 797 Cb 0.25 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 3k1f n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k1f n GLY 798 N 0.28 1.14 3.53 0.72 0.00 -1.00 -1.30 105.19 108.58 3k1f n GLY 798 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3k1f n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1f s PHE 799 N -2.00 3.17 -0.54 1.61 5.36 -0.14 -1.28 117.98 124.16 3k1f s PHE 799 Ca 0.00 -0.13 -0.18 0.00 -0.96 0.00 0.00 56.93 55.66 3k1f s PHE 799 Cb 0.00 -2.26 0.09 0.00 -0.34 0.00 0.00 43.02 40.51 3k1f s PHE 799 CO 0.00 -0.19 0.60 0.08 -1.46 0.00 0.00 175.22 174.25 3k1f s VAL 800 N 1.44 4.97 -0.30 3.12 1.01 -0.39 -4.43 120.40 125.82 3k1f s VAL 800 Ca 0.06 -0.97 0.22 0.00 0.00 0.00 0.00 61.98 61.29 3k1f s VAL 800 Cb -0.15 -4.36 0.26 0.00 0.00 0.00 0.00 36.38 32.13 3k1f s VAL 800 CO 0.06 -0.92 1.60 1.05 0.00 0.00 0.00 175.10 176.89 3k1f h GLU 801 N 9.02 0.00 -7.20 2.72 4.11 -1.98 -0.88 114.58 120.38 3k1f h GLU 801 Ca -0.29 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.66 3k1f h GLU 801 Cb 1.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.37 3k1f h GLU 801 CO 1.02 0.15 0.37 -0.80 0.07 0.00 0.00 179.01 179.82 3k1f s ASN 802 N -6.24 6.53 0.70 3.06 0.01 -1.26 -4.52 114.94 113.21 3k1f s ASN 802 Ca 0.05 1.50 0.01 0.00 -0.71 0.00 0.00 52.86 53.72 3k1f s ASN 802 Cb 0.06 -2.49 0.12 0.00 0.41 0.00 0.00 41.25 39.36 3k1f s ASN 802 CO 0.68 -0.63 0.96 -0.94 -1.51 0.00 0.00 177.10 175.66 3k1f s SER 803 N -3.32 4.46 0.21 -1.22 1.04 -1.25 -0.36 113.70 113.26 3k1f s SER 803 Ca 0.57 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.59 3k1f s SER 803 Cb -0.10 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.25 3k1f s SER 803 CO 0.36 -1.79 1.48 1.88 0.98 0.00 0.00 173.24 176.15 3k1f h TYR 804 N -0.40 0.08 0.35 5.02 -1.99 -0.87 -2.70 116.97 116.44 3k1f h TYR 804 Ca -0.35 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.34 3k1f h TYR 804 Cb 1.27 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 3k1f h TYR 804 CO -0.09 0.80 -0.26 1.25 -0.00 0.00 0.00 178.16 179.86 3k1f h LEU 805 N 0.03 -0.67 -0.90 3.88 7.12 -1.48 -2.95 115.31 120.34 3k1f h LEU 805 Ca -0.01 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 3k1f h LEU 805 Cb 1.35 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.68 3k1f h LEU 805 CO 0.10 -0.39 -0.34 0.03 -0.13 0.00 0.00 178.44 177.71 3k1f h ARG 806 N -0.60 0.39 0.00 1.25 3.08 -1.82 -3.50 114.38 113.18 3k1f h ARG 806 Ca -0.03 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3k1f h ARG 806 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k1f h ARG 806 CO -0.00 0.69 0.00 0.41 -1.07 0.00 0.00 179.97 180.00 3k1f n GLY 807 N -0.24 1.38 3.81 0.04 0.00 -1.02 -4.99 105.19 104.17 3k1f n GLY 807 Ca -0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3k1f n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 808 N -0.69 3.93 0.59 0.99 1.02 -1.26 -4.58 118.68 118.68 3k1f s LEU 808 Ca 0.00 0.03 -0.09 0.00 0.02 0.00 0.00 54.13 54.09 3k1f s LEU 808 Cb 0.00 -2.58 -0.03 0.00 0.02 0.00 0.00 46.19 43.60 3k1f s LEU 808 CO 0.00 0.15 0.97 0.42 0.02 0.00 0.00 176.35 177.91 3k1f s THR 809 N -1.49 4.55 0.35 5.49 -4.23 -1.26 -4.81 115.64 114.25 3k1f s THR 809 Ca 0.31 0.61 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 3k1f s THR 809 Cb -0.12 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 70.24 3k1f s THR 809 CO 0.24 -0.97 1.88 -0.65 -0.54 0.00 0.00 174.62 174.58 3k1f h PRO 810 N -0.21 0.70 0.75 3.99 0.11 -2.00 0.13 132.00 135.47 3k1f h PRO 810 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3k1f h PRO 810 Cb 1.21 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.16 3k1f h PRO 810 CO 0.62 0.47 -0.36 1.96 -0.21 0.00 0.00 178.00 180.47 3k1f h GLN 811 N 0.72 -0.97 -0.94 1.05 7.50 -1.98 -0.26 115.11 120.23 3k1f h GLN 811 Ca 0.43 0.07 0.22 0.00 0.50 0.00 0.00 58.65 59.86 3k1f h GLN 811 Cb 0.63 0.22 -0.12 0.00 0.05 0.00 0.00 27.48 28.26 3k1f h GLN 811 CO -0.19 -0.65 0.49 0.93 -1.50 0.00 0.00 178.83 177.91 3k1f h GLU 812 N -1.06 0.51 0.04 1.46 5.08 -1.78 -0.72 114.58 118.10 3k1f h GLU 812 Ca -0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3k1f h GLU 812 Cb 0.77 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3k1f h GLU 812 CO 0.17 0.34 -0.02 0.35 -1.00 0.00 0.00 179.01 178.85 3k1f h PHE 813 N 0.53 -0.04 -0.64 4.33 3.57 -0.64 -1.29 116.94 122.75 3k1f h PHE 813 Ca 0.58 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.03 3k1f h PHE 813 Cb 1.06 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3k1f h PHE 813 CO -0.07 0.17 0.19 0.35 -2.23 0.00 0.00 178.31 176.72 3k1f h PHE 814 N -0.26 1.01 -0.37 0.41 3.57 0.37 -0.82 116.94 120.86 3k1f h PHE 814 Ca -0.00 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 3k1f h PHE 814 Cb 0.24 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3k1f h PHE 814 CO -0.00 0.82 -0.24 0.74 -2.23 0.00 0.00 178.31 177.39 3k1f h PHE 815 N 0.95 0.95 -0.04 0.41 0.05 -1.22 -1.16 116.94 116.88 3k1f h PHE 815 Ca 0.21 -0.26 -0.05 0.00 3.82 0.00 0.00 57.97 61.70 3k1f h PHE 815 Cb 0.29 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 3k1f h PHE 815 CO 0.02 1.02 -0.19 1.25 -0.18 0.00 0.00 178.31 180.23 3k1f h HIS 816 N 0.61 0.06 -0.40 -0.55 2.76 -1.04 -0.81 115.15 115.79 3k1f h HIS 816 Ca 0.07 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 3k1f h HIS 816 Cb 0.81 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 3k1f h HIS 816 CO 0.06 0.26 -0.32 0.00 -1.30 0.00 0.00 177.93 176.63 3k1f h ALA 817 N 1.75 0.58 -0.39 5.26 0.00 -0.80 0.69 119.26 126.34 3k1f h ALA 817 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3k1f h ALA 817 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1f h ALA 817 CO 0.03 0.64 -0.11 0.52 0.00 0.00 0.00 179.25 180.33 3k1f h MET 818 N 0.75 0.75 -0.52 0.00 2.86 -0.63 -0.39 114.93 117.75 3k1f h MET 818 Ca 0.07 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 3k1f h MET 818 Cb 0.91 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3k1f h MET 818 CO 0.08 0.90 0.01 0.78 1.06 0.00 0.00 176.91 179.74 3k1f h GLY 819 N 0.56 0.95 0.42 8.32 0.00 -1.14 -1.87 103.07 110.31 3k1f h GLY 819 Ca 0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3k1f h GLY 819 CO 0.04 0.60 -0.00 -1.33 0.00 0.00 0.00 176.54 175.85 3k1f h GLY 820 N 0.99 -0.01 0.95 4.60 0.00 -0.79 -3.19 103.07 105.62 3k1f h GLY 820 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.51 3k1f h GLY 820 CO 0.02 -0.00 0.60 -0.09 0.00 0.00 0.00 176.54 177.06 3k1f h ARG 821 N -0.59 1.15 -0.70 4.80 2.43 -1.06 -1.02 114.38 119.39 3k1f h ARG 821 Ca -0.00 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3k1f h ARG 821 Cb 0.58 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3k1f h ARG 821 CO 0.00 0.76 0.46 1.49 -1.51 0.00 0.00 179.97 181.18 3k1f h GLU 822 N 1.19 0.66 -0.28 0.20 4.22 -1.42 -0.94 114.58 118.21 3k1f h GLU 822 Ca 0.35 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.58 3k1f h GLU 822 Cb -0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3k1f h GLU 822 CO -0.09 0.44 -0.49 0.78 -2.18 0.00 0.00 179.01 177.46 3k1f h GLY 823 N 0.68 0.83 2.00 1.92 0.00 -1.20 -1.08 103.07 106.22 3k1f h GLY 823 Ca 0.31 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 3k1f h GLY 823 CO -0.10 0.82 -0.34 1.41 0.00 0.00 0.00 176.54 178.33 3k1f h LEU 824 N 0.60 0.00 0.26 3.11 3.38 -0.62 -1.17 115.31 120.86 3k1f h LEU 824 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k1f h LEU 824 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3k1f h LEU 824 CO 0.10 0.34 -0.13 0.40 0.09 0.00 0.00 178.44 179.25 3k1f h ILE 825 N 0.00 0.42 -0.48 1.22 2.04 -1.08 -3.13 117.51 116.49 3k1f h ILE 825 Ca -0.00 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.07 3k1f h ILE 825 Cb 0.92 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.61 3k1f h ILE 825 CO 0.04 0.11 -0.14 -0.78 0.00 0.00 0.00 178.15 177.39 3k1f h ASP 826 N -1.00 -0.49 -0.06 1.72 3.58 -1.17 -0.81 116.42 118.19 3k1f h ASP 826 Ca -0.04 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.58 3k1f h ASP 826 Cb 0.45 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 3k1f h ASP 826 CO 0.06 -0.17 0.05 0.00 -2.88 0.00 0.00 179.24 176.29 3k1f h THR 827 N -0.02 0.84 0.03 2.25 1.03 -1.32 0.13 112.91 115.86 3k1f h THR 827 Ca 0.23 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.38 3k1f h THR 827 Cb 0.37 0.97 0.01 0.00 -1.07 0.00 0.00 68.15 68.43 3k1f h THR 827 CO -0.51 0.00 -1.04 0.00 -0.01 0.00 0.00 175.52 173.97 3k1f h ALA 828 N 1.96 0.25 -0.03 0.00 0.00 -1.09 -2.90 119.26 117.44 3k1f h ALA 828 Ca 0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3k1f h ALA 828 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3k1f h ALA 828 CO -0.00 0.80 -0.29 0.28 0.00 0.00 0.00 179.25 180.04 3k1f h VAL 829 N 0.24 1.47 -0.56 0.00 2.07 -1.02 -3.26 116.25 115.20 3k1f h VAL 829 Ca -0.11 -1.80 0.10 0.00 0.82 0.00 0.00 66.70 65.71 3k1f h VAL 829 Cb 1.69 2.51 -0.11 0.00 -1.52 0.00 0.00 31.29 33.86 3k1f h VAL 829 CO 0.18 0.51 -0.31 0.50 0.02 0.00 0.00 177.57 178.47 3k1f h LYS 830 N -0.31 -0.15 -0.79 1.57 1.63 -1.08 -1.82 116.57 115.61 3k1f h LYS 830 Ca -0.03 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3k1f h LYS 830 Cb 0.98 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 3k1f h LYS 830 CO 0.06 -0.10 0.52 0.00 -3.45 0.00 0.00 179.45 176.48 3k1f h THR 831 N -0.16 1.19 0.64 1.00 1.03 -1.62 -1.29 112.91 113.70 3k1f h THR 831 Ca 0.23 -0.36 -0.03 0.00 -0.01 0.00 0.00 66.41 66.24 3k1f h THR 831 Cb 0.54 0.04 0.01 0.00 -1.07 0.00 0.00 68.15 67.66 3k1f h THR 831 CO -0.65 0.19 -0.31 0.00 -0.01 0.00 0.00 175.52 174.75 3k1f h ALA 832 N 1.30 -0.86 -0.45 0.00 0.00 -1.44 -1.75 119.26 116.05 3k1f h ALA 832 Ca 0.30 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k1f h ALA 832 Cb -0.10 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k1f h ALA 832 CO -0.07 -0.83 0.30 0.93 0.00 0.00 0.00 179.25 179.58 3k1f h GLU 833 N -1.16 0.57 -0.13 0.00 3.07 -1.38 -1.17 114.58 114.38 3k1f h GLU 833 Ca -0.09 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.64 3k1f h GLU 833 Cb 0.69 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3k1f h GLU 833 CO 0.14 0.38 -0.36 0.00 -1.40 0.00 0.00 179.01 177.77 3k1f h THR 834 N 0.59 1.29 -0.47 1.13 1.03 -1.26 -1.06 112.91 114.16 3k1f h THR 834 Ca 0.17 -1.41 -0.04 0.00 -0.01 0.00 0.00 66.41 65.12 3k1f h THR 834 Cb -0.03 1.59 -0.02 0.00 -1.07 0.00 0.00 68.15 68.63 3k1f h THR 834 CO -0.04 0.43 0.12 1.23 -0.01 0.00 0.00 175.52 177.25 3k1f h GLY 835 N 1.14 0.80 0.93 2.99 0.00 -0.29 -1.31 103.07 107.33 3k1f h GLY 835 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3k1f h GLY 835 CO 0.06 0.46 0.14 -1.82 0.00 0.00 0.00 176.54 175.38 3k1f h TYR 836 N 0.62 0.56 -0.19 5.60 3.20 -1.06 -2.01 116.97 123.70 3k1f h TYR 836 Ca 0.15 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3k1f h TYR 836 Cb 0.31 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3k1f h TYR 836 CO 0.02 0.52 -0.08 0.82 -1.64 0.00 0.00 178.16 177.80 3k1f h ILE 837 N 0.44 0.74 0.45 1.81 2.04 -1.09 -0.87 117.51 121.04 3k1f h ILE 837 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3k1f h ILE 837 Cb 0.20 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3k1f h ILE 837 CO -0.01 0.00 -0.30 -0.61 0.00 0.00 0.00 178.15 177.24 3k1f h GLN 838 N -0.05 -0.69 -0.94 2.37 -0.00 -1.12 -1.28 115.11 113.39 3k1f h GLN 838 Ca 0.10 0.05 0.09 0.00 -0.00 0.00 0.00 58.65 58.88 3k1f h GLN 838 Cb 0.20 0.16 -0.07 0.00 0.00 0.00 0.00 27.48 27.77 3k1f h GLN 838 CO -0.22 -0.46 0.61 -0.09 0.00 0.00 0.00 178.83 178.67 3k1f h ARG 839 N -0.72 0.98 0.90 1.69 2.43 -1.25 -1.66 114.38 116.75 3k1f h ARG 839 Ca -0.05 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3k1f h ARG 839 Cb 0.60 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3k1f h ARG 839 CO 0.04 0.65 -0.43 -0.09 -1.51 0.00 0.00 179.97 178.62 3k1f h ARG 840 N 1.00 -1.16 -0.56 0.20 2.43 -0.93 -1.28 114.38 114.08 3k1f h ARG 840 Ca 0.43 0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.77 3k1f h ARG 840 Cb 0.32 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 3k1f h ARG 840 CO -0.18 -0.78 0.16 -0.07 -1.51 0.00 0.00 179.97 177.58 3k1f h LEU 841 N -1.21 0.09 -0.14 3.80 3.38 -0.97 -0.87 115.31 119.39 3k1f h LEU 841 Ca -0.12 0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3k1f h LEU 841 Cb 0.93 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3k1f h LEU 841 CO 0.20 0.06 -0.17 0.58 0.09 0.00 0.00 178.44 179.21 3k1f h VAL 842 N 0.31 0.56 -0.75 1.22 2.07 -1.28 -2.28 116.25 116.09 3k1f h VAL 842 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3k1f h VAL 842 Cb 0.38 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3k1f h VAL 842 CO -0.33 0.00 0.36 0.11 0.02 0.00 0.00 177.57 177.72 3k1f h LYS 843 N -0.20 1.09 0.00 1.57 1.79 -0.41 -1.51 116.57 118.89 3k1f h LYS 843 Ca 0.10 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3k1f h LYS 843 Cb 0.35 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3k1f h LYS 843 CO -0.26 0.85 -0.17 0.00 -1.08 0.00 0.00 179.45 178.79 3k1f h ALA 844 N 1.18 1.24 -0.21 3.86 0.00 -0.96 -3.18 119.26 121.18 3k1f h ALA 844 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1f h ALA 844 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k1f h ALA 844 CO -0.03 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.71 3k1f n LEU 845 N -3.64 2.64 0.00 0.00 4.77 -0.88 -4.92 117.00 114.97 3k1f n LEU 845 Ca -0.01 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 3k1f n LEU 845 Cb 0.29 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3k1f n LEU 845 CO 0.32 0.65 0.12 -0.62 -1.33 0.00 0.00 177.39 176.52 3k1f n GLU 846 N 0.06 0.00 0.27 3.23 1.02 -0.61 -3.10 120.64 121.51 3k1f n GLU 846 Ca 0.08 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.52 3k1f n GLU 846 Cb 0.39 -0.74 0.39 0.00 -0.02 0.00 0.00 31.44 31.47 3k1f n GLU 846 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3k1f h ASP 847 N 0.00 0.00 -2.80 1.62 2.03 -1.91 -3.39 116.42 111.98 3k1f h ASP 847 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3k1f h ASP 847 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3k1f h ASP 847 CO 0.00 0.00 1.07 -0.63 -1.03 0.00 0.00 179.24 178.65 3k1f s ILE 848 N -3.76 3.80 0.15 4.15 1.09 -1.18 -4.21 121.20 121.24 3k1f s ILE 848 Ca -0.02 0.93 -0.14 0.00 -1.10 0.00 0.00 60.65 60.32 3k1f s ILE 848 Cb 0.04 -3.75 0.02 0.00 -1.06 0.00 0.00 42.46 37.72 3k1f s ILE 848 CO 0.13 -0.25 0.39 0.00 -0.10 0.00 0.00 174.94 175.11 3k1f s MET 849 N 4.34 1.14 -0.03 2.79 0.23 -0.59 -1.08 119.30 126.09 3k1f s MET 849 Ca 0.68 -0.85 -0.29 0.00 -1.03 0.00 0.00 55.69 54.20 3k1f s MET 849 Cb -0.25 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 3k1f s MET 849 CO 0.27 -0.44 0.93 0.08 -2.03 0.00 0.00 175.02 173.82 3k1f s VAL 850 N -3.85 4.89 0.73 5.16 1.01 -1.05 -1.90 120.40 125.38 3k1f s VAL 850 Ca 0.07 1.94 0.01 0.00 0.00 0.00 0.00 61.98 64.00 3k1f s VAL 850 Cb 0.02 -4.27 0.14 0.00 0.00 0.00 0.00 36.38 32.27 3k1f s VAL 850 CO -0.08 0.15 1.01 -1.00 0.00 0.00 0.00 175.10 175.18 3k1f s HIS 851 N 1.13 1.26 -2.00 5.22 3.76 -0.57 -0.78 115.29 123.31 3k1f s HIS 851 Ca 0.49 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 55.06 3k1f s HIS 851 Cb -0.20 -2.91 0.50 0.00 1.11 0.00 0.00 32.58 31.08 3k1f s HIS 851 CO 0.25 -1.80 0.93 0.66 -0.85 0.00 0.00 174.74 173.93 3k1f n TYR 852 N -2.84 0.00 0.02 1.40 4.02 -1.26 -2.21 117.16 116.29 3k1f n TYR 852 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3k1f n TYR 852 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 3k1f n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3k1f n ASP 853 N -0.79 1.01 0.00 7.72 5.68 -1.26 -5.00 116.55 123.91 3k1f n ASP 853 Ca 0.06 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 3k1f n ASP 853 Cb 0.03 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3k1f n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3k1f n ASN 854 N -0.00 -0.15 -4.74 -1.12 3.02 -0.94 -5.01 115.26 106.32 3k1f n ASN 854 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3k1f n ASN 854 Cb 0.01 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3k1f n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3k1f s THR 855 N -3.52 4.59 -0.49 3.41 -1.32 -1.23 -3.03 115.64 114.05 3k1f s THR 855 Ca 0.00 1.85 -0.24 0.00 -1.21 0.00 0.00 61.69 62.09 3k1f s THR 855 Cb 0.00 -4.22 0.03 0.00 -1.51 0.00 0.00 72.50 66.81 3k1f s THR 855 CO 0.00 0.35 0.88 -0.89 -2.21 0.00 0.00 174.62 172.75 3k1f s THR 856 N -0.12 4.51 0.32 5.08 2.01 0.37 -1.51 115.64 126.31 3k1f s THR 856 Ca 0.42 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.90 3k1f s THR 856 Cb -0.22 -4.43 -0.06 0.00 0.01 0.00 0.00 72.50 67.79 3k1f s THR 856 CO 0.26 -0.90 0.06 -0.13 -0.69 0.00 0.00 174.62 173.23 3k1f s ARG 857 N 3.64 1.63 0.00 4.92 0.52 -0.80 -0.91 118.95 127.96 3k1f s ARG 857 Ca 0.32 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 3k1f s ARG 857 Cb -0.12 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.54 3k1f s ARG 857 CO 0.22 -0.20 0.00 0.27 0.02 0.00 0.00 175.30 175.61 3k1f n ASN 858 N -0.67 0.91 -0.10 0.23 6.94 -1.21 -1.55 115.26 119.81 3k1f n ASN 858 Ca -0.02 -0.40 -0.04 0.00 -0.02 0.00 0.00 54.58 54.10 3k1f n ASN 858 Cb 0.67 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 38.27 3k1f n ASN 858 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3k1f h SER 859 N 0.00 0.72 -0.16 0.53 4.64 -1.85 -3.07 113.55 114.35 3k1f h SER 859 Ca 0.00 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3k1f h SER 859 Cb 0.00 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3k1f h SER 859 CO 0.00 0.79 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.40 3k1f h LEU 860 N 0.71 0.52 0.00 5.97 3.38 -1.96 -3.44 115.31 120.49 3k1f h LEU 860 Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3k1f h LEU 860 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3k1f h LEU 860 CO 0.02 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.11 3k1f n GLY 861 N 0.36 1.25 3.71 0.83 0.00 -1.16 -5.10 105.19 105.07 3k1f n GLY 861 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3k1f n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1f s ASN 862 N -1.72 6.85 0.30 1.61 -0.87 -1.26 -4.77 114.94 115.08 3k1f s ASN 862 Ca 0.00 2.27 -0.29 0.00 -1.57 0.00 0.00 52.86 53.27 3k1f s ASN 862 Cb 0.00 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.55 3k1f s ASN 862 CO 0.00 -0.64 1.23 -0.69 -2.57 0.00 0.00 177.10 174.42 3k1f s VAL 863 N 1.26 3.04 -0.08 1.60 1.01 -1.26 -3.35 120.40 122.62 3k1f s VAL 863 Ca 0.64 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 3k1f s VAL 863 Cb -0.35 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3k1f s VAL 863 CO 0.30 0.24 -0.12 -0.38 0.00 0.00 0.00 175.10 175.14 3k1f n ILE 864 N 1.04 0.63 -3.83 2.22 -0.00 -0.08 -5.01 119.36 114.33 3k1f n ILE 864 Ca -0.00 -0.08 -0.23 0.00 -0.00 0.00 0.00 62.75 62.44 3k1f n ILE 864 Cb 0.43 -1.66 -0.17 0.00 -0.00 0.00 0.00 39.64 38.24 3k1f n ILE 864 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3k1f s GLN 865 N -2.19 0.71 0.32 0.38 -0.21 -1.13 -4.84 119.66 112.69 3k1f s GLN 865 Ca -0.13 0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.36 3k1f s GLN 865 Cb 0.05 -1.01 0.72 0.00 1.00 0.00 0.00 33.01 33.77 3k1f s GLN 865 CO 0.17 -0.27 1.83 0.74 -2.12 0.00 0.00 175.29 175.63 3k1f h PHE 866 N 8.18 0.99 -1.92 0.91 -1.00 -1.88 0.11 116.94 122.32 3k1f h PHE 866 Ca -0.23 0.03 -0.30 0.00 2.81 0.00 0.00 57.97 60.28 3k1f h PHE 866 Cb 1.13 -0.31 -0.31 0.00 3.61 0.00 0.00 35.95 40.07 3k1f h PHE 866 CO 0.48 0.33 -0.63 0.42 -1.61 0.00 0.00 178.31 177.30 3k1f s ILE 867 N -5.81 -0.45 -0.02 -0.55 1.09 -1.25 -3.48 121.20 110.73 3k1f s ILE 867 Ca -0.11 -0.64 -0.05 0.00 -1.10 0.00 0.00 60.65 58.75 3k1f s ILE 867 Cb 0.23 -0.82 -0.03 0.00 -1.06 0.00 0.00 42.46 40.78 3k1f s ILE 867 CO 0.80 -0.46 0.16 0.00 -0.10 0.00 0.00 174.94 175.34 3k1f n TYR 868 N 4.84 0.12 -1.31 3.97 9.36 -1.17 -0.93 117.16 132.05 3k1f n TYR 868 Ca 0.04 0.14 -0.11 0.00 3.32 0.00 0.00 57.90 61.30 3k1f n TYR 868 Cb 0.47 -0.27 -0.05 0.00 -0.63 0.00 0.00 39.34 38.86 3k1f n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3k1f n GLY 869 N 0.28 1.17 4.18 2.98 0.00 -1.26 -0.46 105.19 112.07 3k1f n GLY 869 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3k1f n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1f n GLU 870 N -2.10 0.00 0.00 1.61 1.02 -0.10 -4.61 120.64 116.46 3k1f n GLU 870 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3k1f n GLU 870 Cb 0.43 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.77 3k1f n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3k1f n ASP 871 N 0.00 1.36 -1.25 1.62 5.75 -1.17 -4.65 116.55 118.21 3k1f n ASP 871 Ca 0.00 -0.28 -0.10 0.00 -0.01 0.00 0.00 54.79 54.40 3k1f n ASP 871 Cb 0.00 0.83 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 3k1f n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1f n GLY 872 N 1.23 0.01 3.65 6.12 0.00 0.39 -4.85 105.19 111.74 3k1f n GLY 872 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3k1f n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k1f s MET 873 N -4.67 2.37 -0.20 1.61 -1.94 -1.26 -1.59 119.30 113.64 3k1f s MET 873 Ca 0.04 -0.94 -0.25 0.00 -1.71 0.00 0.00 55.69 52.83 3k1f s MET 873 Cb -0.02 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 3k1f s MET 873 CO 0.05 0.52 0.84 0.34 -0.01 0.00 0.00 175.02 176.77 3k1f s ASP 874 N -2.37 6.93 0.23 3.03 2.15 -0.05 -4.54 116.67 122.04 3k1f s ASP 874 Ca 0.24 1.14 -0.12 0.00 0.43 0.00 0.00 52.55 54.25 3k1f s ASP 874 Cb -0.11 -2.45 0.31 0.00 -0.30 0.00 0.00 42.92 40.37 3k1f s ASP 874 CO 0.17 -0.45 1.41 0.00 -0.17 0.00 0.00 175.17 176.12 3k1f n ALA 875 N 5.55 0.04 -0.21 3.66 0.00 -1.26 -1.84 120.51 126.45 3k1f n ALA 875 Ca 0.05 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.49 3k1f n ALA 875 Cb 0.48 -0.49 0.32 0.00 0.00 0.00 0.00 19.45 19.75 3k1f n ALA 875 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f h ALA 876 N 1.51 1.63 0.00 0.00 0.00 -1.84 -2.65 119.26 117.91 3k1f h ALA 876 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3k1f h ALA 876 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k1f h ALA 876 CO -0.91 0.27 0.00 0.45 0.00 0.00 0.00 179.25 179.05 3k1f h HIS 877 N 0.84 0.00 -3.78 0.00 3.86 -1.70 -3.46 115.15 110.92 3k1f h HIS 877 Ca 0.32 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 59.03 3k1f h HIS 877 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3k1f h HIS 877 CO -0.00 0.00 0.39 0.42 0.86 0.00 0.00 177.93 179.60 3k1f s ILE 878 N -3.48 3.87 0.08 2.45 1.01 -1.00 -4.54 121.20 119.59 3k1f s ILE 878 Ca 0.03 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.58 3k1f s ILE 878 Cb 0.09 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3k1f s ILE 878 CO 0.53 0.43 -0.09 -1.61 0.00 0.00 0.00 174.94 174.21 3k1f s GLU 879 N -1.32 0.77 -0.40 2.79 2.02 -1.13 -4.81 118.70 116.62 3k1f s GLU 879 Ca 0.43 -1.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.02 3k1f s GLU 879 Cb -0.28 -0.39 0.02 0.00 0.10 0.00 0.00 34.13 33.59 3k1f s GLU 879 CO 0.35 0.05 1.03 0.21 0.02 0.00 0.00 175.26 176.91 3k1f s LYS 880 N -2.81 3.84 0.46 1.61 2.47 -1.26 -0.80 119.74 123.25 3k1f s LYS 880 Ca 0.04 0.67 0.04 0.00 -1.56 0.00 0.00 55.97 55.16 3k1f s LYS 880 Cb -0.02 -3.83 -0.04 0.00 -1.46 0.00 0.00 37.83 32.48 3k1f s LYS 880 CO -0.01 -1.09 0.02 -0.65 0.16 0.00 0.00 175.35 173.78 3k1f s GLN 881 N 3.84 2.09 -0.11 4.03 -0.21 -0.44 -4.89 119.66 123.96 3k1f s GLN 881 Ca 0.43 -2.24 0.00 0.00 0.02 0.00 0.00 55.36 53.57 3k1f s GLN 881 Cb -0.10 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 3k1f s GLN 881 CO 0.22 -0.22 -0.11 -1.12 -2.12 0.00 0.00 175.29 171.94 3k1f s SER 882 N -3.81 4.18 -0.54 5.90 0.01 -1.26 -1.26 113.70 116.92 3k1f s SER 882 Ca 0.21 -0.24 -0.19 0.00 1.31 0.00 0.00 55.95 57.04 3k1f s SER 882 Cb 0.05 -1.43 0.08 0.00 0.21 0.00 0.00 66.02 64.93 3k1f s SER 882 CO 0.11 0.22 0.64 -0.76 0.41 0.00 0.00 173.24 173.87 3k1f s LEU 883 N 0.00 5.16 0.21 2.44 1.43 -0.09 -4.93 118.68 122.88 3k1f s LEU 883 Ca -0.03 -1.12 0.23 0.00 -1.03 0.00 0.00 54.13 52.18 3k1f s LEU 883 Cb -0.14 -2.38 0.91 0.00 0.03 0.00 0.00 46.19 44.61 3k1f s LEU 883 CO 0.04 -0.96 1.70 0.47 0.23 0.00 0.00 176.35 177.82 3k1f n ASP 884 N 6.18 0.58 -0.04 2.29 8.00 -1.26 -3.01 116.55 129.29 3k1f n ASP 884 Ca -0.08 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.16 3k1f n ASP 884 Cb 0.44 -0.75 0.70 0.00 -0.02 0.00 0.00 41.12 41.49 3k1f n ASP 884 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3k1f n THR 885 N -2.11 0.01 -0.03 -3.53 -2.24 -1.26 -4.47 114.28 100.65 3k1f n THR 885 Ca 0.03 -0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 3k1f n THR 885 Cb 0.26 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3k1f n THR 885 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1f n ILE 886 N -0.80 0.55 -1.00 2.28 3.06 -1.16 -4.06 119.36 118.22 3k1f n ILE 886 Ca 0.18 0.38 -0.00 0.00 -2.50 0.00 0.00 62.75 60.81 3k1f n ILE 886 Cb 0.10 -1.82 0.00 0.00 0.54 0.00 0.00 39.64 38.46 3k1f n ILE 886 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3k1f n GLY 887 N 1.57 -1.14 0.73 4.50 0.00 -1.26 -4.96 105.19 104.62 3k1f n GLY 887 Ca -0.04 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.40 3k1f n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 888 N 4.93 -2.57 3.77 -0.02 0.00 -1.26 -4.88 105.19 105.17 3k1f n GLY 888 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 3k1f n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1f s SER 889 N -5.95 5.02 0.62 1.61 1.04 -1.26 -2.69 113.70 112.08 3k1f s SER 889 Ca 0.00 1.92 0.37 0.00 0.48 0.00 0.00 55.95 58.72 3k1f s SER 889 Cb 0.00 -2.54 2.04 0.00 0.10 0.00 0.00 66.02 65.63 3k1f s SER 889 CO 0.00 -1.69 2.27 0.44 0.98 0.00 0.00 173.24 175.24 3k1f h ASP 890 N -0.28 0.00 -0.02 7.02 3.32 -1.84 -0.33 116.42 124.30 3k1f h ASP 890 Ca -0.46 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 3k1f h ASP 890 Cb 1.24 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.80 3k1f h ASP 890 CO 0.54 0.02 -0.50 0.00 -1.72 0.00 0.00 179.24 177.57 3k1f h ALA 891 N 1.98 0.08 -0.19 3.45 0.00 -1.91 -0.78 119.26 121.90 3k1f h ALA 891 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3k1f h ALA 891 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k1f h ALA 891 CO 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 179.25 179.25 3k1f h ALA 892 N 0.33 1.14 0.36 0.00 0.00 -1.74 -0.59 119.26 118.76 3k1f h ALA 892 Ca -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3k1f h ALA 892 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3k1f h ALA 892 CO 0.10 0.55 -0.17 0.35 0.00 0.00 0.00 179.25 180.07 3k1f h PHE 893 N 0.33 -0.45 -0.67 0.00 3.57 -1.09 -1.97 116.94 116.67 3k1f h PHE 893 Ca 0.05 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3k1f h PHE 893 Cb 0.69 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3k1f h PHE 893 CO 0.02 -0.21 0.35 1.49 -2.23 0.00 0.00 178.31 177.73 3k1f h GLU 894 N -0.60 0.60 -0.22 1.11 4.81 -0.93 -0.18 114.58 119.17 3k1f h GLU 894 Ca -0.05 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3k1f h GLU 894 Cb 0.44 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3k1f h GLU 894 CO 0.08 0.40 0.15 -0.22 -0.73 0.00 0.00 179.01 178.69 3k1f h LYS 895 N 0.62 0.27 0.00 1.92 3.64 -0.94 -0.72 116.57 121.36 3k1f h LYS 895 Ca 0.32 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3k1f h LYS 895 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3k1f h LYS 895 CO -0.22 0.18 -1.73 -2.13 -2.27 0.00 0.00 179.45 173.27 3k1f n ARG 896 N -4.50 0.65 0.00 1.90 0.63 -0.62 -4.77 116.66 109.94 3k1f n ARG 896 Ca 0.01 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3k1f n ARG 896 Cb 0.09 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.37 3k1f n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3k1f n TYR 897 N -2.53 0.00 -1.83 -0.14 4.02 -0.18 -4.33 117.16 112.17 3k1f n TYR 897 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.39 3k1f n TYR 897 Cb 0.70 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.99 3k1f n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3k1f s ARG 898 N -1.99 4.17 -0.13 -0.72 6.06 -0.29 -4.57 118.95 121.48 3k1f s ARG 898 Ca 0.00 2.45 0.02 0.00 -2.50 0.00 0.00 55.73 55.70 3k1f s ARG 898 Cb 0.00 -3.59 0.01 0.00 0.06 0.00 0.00 34.95 31.43 3k1f s ARG 898 CO 0.00 -0.78 -0.20 0.08 -2.50 0.00 0.00 175.30 171.90 3k1f s VAL 899 N 2.65 1.87 -0.28 7.11 1.01 -1.26 -4.89 120.40 126.61 3k1f s VAL 899 Ca 0.77 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3k1f s VAL 899 Cb -0.43 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.38 3k1f s VAL 899 CO 0.34 0.51 0.06 -0.62 0.00 0.00 0.00 175.10 175.39 3k1f s ASP 900 N 0.84 3.86 0.33 3.32 2.15 -1.26 -4.83 116.67 121.09 3k1f s ASP 900 Ca -0.08 -1.46 0.14 0.00 0.43 0.00 0.00 52.55 51.58 3k1f s ASP 900 Cb -0.15 -0.92 0.56 0.00 -0.30 0.00 0.00 42.92 42.10 3k1f s ASP 900 CO -0.01 -0.37 1.71 -0.07 -0.17 0.00 0.00 175.17 176.26 3k1f h LEU 901 N 8.06 0.00 -7.58 -1.34 3.38 -1.89 -2.87 115.31 113.07 3k1f h LEU 901 Ca -0.14 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.06 3k1f h LEU 901 Cb 1.04 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.50 3k1f h LEU 901 CO 0.44 0.49 0.19 -1.48 0.09 0.00 0.00 178.44 178.17 3k1f s LEU 902 N -7.60 6.21 0.00 1.67 0.05 -1.26 -2.76 118.68 114.99 3k1f s LEU 902 Ca -0.01 -3.34 0.00 0.00 0.05 0.00 0.00 54.13 50.83 3k1f s LEU 902 Cb 0.13 -2.12 0.00 0.00 -2.05 0.00 0.00 46.19 42.14 3k1f s LEU 902 CO 0.73 -0.34 0.00 -3.20 -0.55 0.00 0.00 176.35 172.99 3k1f n ASN 903 N 3.01 0.00 0.13 1.48 4.05 -1.26 -5.02 115.26 117.65 3k1f n ASN 903 Ca 0.20 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.25 3k1f n ASN 903 Cb 0.41 0.00 0.37 0.00 1.23 0.00 0.00 39.78 41.79 3k1f n ASN 903 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3k1f h THR 904 N 0.00 1.20 -0.81 -0.44 2.02 -1.90 -0.64 112.91 112.34 3k1f h THR 904 Ca 0.00 -0.91 -0.55 0.00 0.77 0.00 0.00 66.41 65.72 3k1f h THR 904 Cb 0.00 1.32 -0.24 0.00 -1.74 0.00 0.00 68.15 67.50 3k1f h THR 904 CO 0.00 0.28 0.71 0.47 0.37 0.00 0.00 175.52 177.35 3k1f n ASP 905 N -4.23 7.19 0.00 4.18 8.00 -1.26 -4.09 116.55 126.34 3k1f n ASP 905 Ca -0.01 -3.53 0.00 0.00 0.71 0.00 0.00 54.79 51.96 3k1f n ASP 905 Cb 0.31 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 3k1f n ASP 905 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3k1f n HIS 906 N -0.47 0.00 -1.63 1.24 -0.00 -1.14 -5.14 115.22 108.07 3k1f n HIS 906 Ca 0.51 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 58.33 3k1f n HIS 906 Cb 0.65 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.60 3k1f n HIS 906 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 3k1f s THR 907 N -0.12 2.15 -0.01 3.57 -1.32 -0.26 -4.16 115.64 115.49 3k1f s THR 907 Ca 0.00 0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.26 3k1f s THR 907 Cb 0.00 -2.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.05 3k1f s THR 907 CO 0.00 -0.03 1.30 -0.76 -2.21 0.00 0.00 174.62 172.92 3k1f s LEU 908 N -4.66 4.31 0.14 9.08 1.43 -1.26 -4.98 118.68 122.74 3k1f s LEU 908 Ca 0.79 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 55.58 3k1f s LEU 908 Cb -0.34 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 3k1f s LEU 908 CO 0.41 -0.63 1.51 -0.62 0.23 0.00 0.00 176.35 177.26 3k1f s ASP 909 N 1.57 6.67 0.00 2.29 -1.08 -1.26 -4.75 116.67 120.11 3k1f s ASP 909 Ca 0.60 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 55.14 3k1f s ASP 909 Cb -0.29 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.58 3k1f s ASP 909 CO 0.25 -0.77 0.77 -0.81 0.52 0.00 0.00 175.17 175.13 3k1f n PRO 910 N 4.07 0.00 0.14 4.34 -0.04 -1.26 -0.48 135.00 141.77 3k1f n PRO 910 Ca 0.13 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3k1f n PRO 910 Cb 0.40 -1.55 0.41 0.00 -0.04 0.00 0.00 33.50 32.72 3k1f n PRO 910 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1f h SER 911 N 0.00 0.00 0.00 3.54 4.64 -1.95 -3.26 113.55 116.52 3k1f h SER 911 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3k1f h SER 911 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 3k1f h SER 911 CO 0.00 0.00 -2.33 0.18 -0.87 0.00 0.00 176.83 173.81 3k1f n LEU 912 N -2.42 2.05 -3.92 5.97 4.77 0.37 -3.40 117.00 120.42 3k1f n LEU 912 Ca 0.04 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 3k1f n LEU 912 Cb 0.39 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.88 3k1f n LEU 912 CO 0.28 0.76 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.46 3k1f s LEU 913 N -6.07 1.29 0.36 2.23 2.96 -1.18 -2.37 118.68 115.90 3k1f s LEU 913 Ca -0.25 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3k1f s LEU 913 Cb 0.07 -0.65 0.68 0.00 0.50 0.00 0.00 46.19 46.79 3k1f s LEU 913 CO 0.62 -0.06 2.01 -0.33 -1.32 0.00 0.00 176.35 177.27 3k1f h GLU 914 N 7.50 0.76 -0.43 1.98 5.08 -0.66 -0.99 114.58 127.82 3k1f h GLU 914 Ca -0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3k1f h GLU 914 Cb 1.15 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3k1f h GLU 914 CO 0.43 0.52 0.00 -1.13 -1.00 0.00 0.00 179.01 177.83 3k1f n SER 915 N -4.44 2.01 -0.10 1.42 3.41 -1.26 -4.50 113.62 110.16 3k1f n SER 915 Ca 0.05 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3k1f n SER 915 Cb 0.06 -0.29 0.29 0.00 -0.26 0.00 0.00 64.21 64.00 3k1f n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3k1f h GLY 916 N 5.15 0.80 1.66 5.00 0.00 -1.47 0.54 103.07 114.74 3k1f h GLY 916 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.75 3k1f h GLY 916 CO 0.04 0.35 -0.93 1.48 0.00 0.00 0.00 176.54 177.49 3k1f h SER 917 N 0.75 0.40 0.53 0.19 4.64 -1.80 -3.28 113.55 114.97 3k1f h SER 917 Ca 0.19 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3k1f h SER 917 Cb 0.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3k1f h SER 917 CO -0.03 1.13 -0.45 -1.84 -0.87 0.00 0.00 176.83 174.78 3k1f n GLU 918 N -3.69 0.04 0.15 4.77 0.00 -1.14 -3.87 120.64 116.90 3k1f n GLU 918 Ca -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.10 3k1f n GLU 918 Cb 0.83 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.90 3k1f n GLU 918 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 3k1f h ILE 919 N 0.06 1.03 -0.82 3.84 6.09 -0.95 -3.43 117.51 123.33 3k1f h ILE 919 Ca 0.00 -2.14 -0.43 0.00 -1.37 0.00 0.00 64.86 60.92 3k1f h ILE 919 Cb 0.50 2.29 -0.04 0.00 0.47 0.00 0.00 36.82 40.04 3k1f h ILE 919 CO 0.00 0.53 1.59 -0.11 -3.07 0.00 0.00 178.15 177.08 3k1f n LEU 920 N -3.39 1.30 0.00 2.19 7.94 -1.25 -2.06 117.00 121.73 3k1f n LEU 920 Ca 0.01 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.57 3k1f n LEU 920 Cb 0.68 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.34 3k1f n LEU 920 CO 0.40 -1.33 0.00 0.61 -1.11 0.00 0.00 177.39 175.96 3k1f n GLY 921 N 6.23 2.51 3.54 -3.96 0.00 -1.11 -4.99 105.19 107.40 3k1f n GLY 921 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 3k1f n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k1f n ASP 922 N 0.00 1.85 0.16 1.61 -0.08 -0.87 -4.83 116.55 114.38 3k1f n ASP 922 Ca 0.00 -0.40 0.01 0.00 -1.51 0.00 0.00 54.79 52.89 3k1f n ASP 922 Cb 0.00 -1.44 0.29 0.00 2.34 0.00 0.00 41.12 42.30 3k1f n ASP 922 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3k1f h LEU 923 N 18.11 0.04 -0.79 -2.67 6.46 -1.96 -0.52 115.31 133.97 3k1f h LEU 923 Ca -0.19 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 3k1f h LEU 923 Cb 1.27 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 3k1f h LEU 923 CO 1.21 0.48 0.51 0.11 -0.62 0.00 0.00 178.44 180.13 3k1f h LYS 924 N 0.03 1.04 -0.04 1.25 1.79 -2.00 0.37 116.57 119.02 3k1f h LYS 924 Ca -0.00 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.21 3k1f h LYS 924 Cb 0.80 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3k1f h LYS 924 CO 0.06 0.70 -0.70 -0.07 -1.08 0.00 0.00 179.45 178.36 3k1f h LEU 925 N 1.07 0.68 -1.33 2.94 3.38 -1.95 -3.24 115.31 116.86 3k1f h LEU 925 Ca 0.29 -0.72 0.09 0.00 0.09 0.00 0.00 57.88 57.63 3k1f h LEU 925 Cb -0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3k1f h LEU 925 CO -0.06 1.30 0.52 1.56 0.09 0.00 0.00 178.44 181.85 3k1f h GLN 926 N 0.12 0.74 -0.72 1.13 1.08 -0.59 -0.40 115.11 116.47 3k1f h GLN 926 Ca -0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3k1f h GLN 926 Cb 1.38 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 3k1f h GLN 926 CO 0.14 0.49 0.45 0.28 -0.95 0.00 0.00 178.83 179.24 3k1f h VAL 927 N 0.76 1.20 -0.06 -0.54 2.07 -0.30 -0.19 116.25 119.19 3k1f h VAL 927 Ca 0.37 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3k1f h VAL 927 Cb 0.41 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3k1f h VAL 927 CO -0.14 0.20 -0.65 -0.07 0.02 0.00 0.00 177.57 176.93 3k1f h LEU 928 N 0.99 0.30 -0.93 2.57 3.38 -1.16 -1.74 115.31 118.72 3k1f h LEU 928 Ca 0.26 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3k1f h LEU 928 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3k1f h LEU 928 CO -0.05 0.87 -0.32 -0.07 0.09 0.00 0.00 178.44 178.95 3k1f h LEU 929 N 0.18 0.40 -0.79 1.67 -0.00 -0.39 -0.97 115.31 115.41 3k1f h LEU 929 Ca -0.01 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.62 3k1f h LEU 929 Cb 1.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 3k1f h LEU 929 CO 0.10 0.71 -0.45 0.44 -0.00 0.00 0.00 178.44 179.24 3k1f h ASP 930 N 0.34 0.00 0.06 -0.43 3.32 -0.91 -0.92 116.42 117.88 3k1f h ASP 930 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3k1f h ASP 930 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3k1f h ASP 930 CO 0.06 0.45 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.67 3k1f h GLU 931 N 0.00 -0.07 0.10 3.56 5.08 -0.90 -2.03 114.58 120.33 3k1f h GLU 931 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k1f h GLU 931 Cb 1.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3k1f h GLU 931 CO 0.06 0.46 -0.29 1.49 -1.00 0.00 0.00 179.01 179.73 3k1f h GLU 932 N -0.67 -0.48 -0.05 2.33 4.81 -1.14 -0.56 114.58 118.82 3k1f h GLU 932 Ca -0.01 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3k1f h GLU 932 Cb 0.57 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3k1f h GLU 932 CO 0.01 -0.32 -0.16 -0.92 -0.73 0.00 0.00 179.01 176.89 3k1f h TYR 933 N -0.50 0.08 -0.17 0.92 3.20 -1.27 -0.85 116.97 118.38 3k1f h TYR 933 Ca 0.04 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 3k1f h TYR 933 Cb 0.54 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3k1f h TYR 933 CO -0.27 0.24 -0.59 -0.22 -1.64 0.00 0.00 178.16 175.67 3k1f h LYS 934 N 0.07 0.57 -0.40 1.82 3.64 -0.93 -1.77 116.57 119.58 3k1f h LYS 934 Ca 0.01 -0.39 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 3k1f h LYS 934 Cb 0.33 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3k1f h LYS 934 CO 0.02 1.00 -0.20 0.37 -2.27 0.00 0.00 179.45 178.38 3k1f h GLN 935 N 0.43 0.83 -0.51 1.90 5.75 -0.55 -1.30 115.11 121.66 3k1f h GLN 935 Ca -0.00 -0.37 -0.08 0.00 -0.15 0.00 0.00 58.65 58.05 3k1f h GLN 935 Cb 1.15 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 3k1f h GLN 935 CO 0.11 1.00 -0.02 -0.07 -2.65 0.00 0.00 178.83 177.21 3k1f h LEU 936 N 0.64 0.85 -0.40 -2.39 3.38 -1.11 -0.62 115.31 115.67 3k1f h LEU 936 Ca 0.09 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3k1f h LEU 936 Cb 0.75 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3k1f h LEU 936 CO 0.06 0.92 -0.71 1.62 0.09 0.00 0.00 178.44 180.42 3k1f h VAL 937 N 0.81 1.36 -0.36 1.22 3.04 -1.28 -1.05 116.25 119.98 3k1f h VAL 937 Ca 0.15 -2.08 -0.07 0.00 -1.01 0.00 0.00 66.70 63.69 3k1f h VAL 937 Cb 0.50 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 3k1f h VAL 937 CO 0.03 0.63 -0.08 0.50 -1.01 0.00 0.00 177.57 177.63 3k1f h LYS 938 N 0.32 0.62 0.31 4.17 3.64 -1.04 -2.81 116.57 121.77 3k1f h LYS 938 Ca -0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3k1f h LYS 938 Cb 1.29 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3k1f h LYS 938 CO 0.13 0.70 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.42 3k1f h ASP 939 N 0.57 -0.35 -0.54 4.20 5.19 -0.90 -1.71 116.42 122.89 3k1f h ASP 939 Ca 0.11 -0.09 0.10 0.00 -0.62 0.00 0.00 57.03 56.53 3k1f h ASP 939 Cb 0.49 0.09 -0.11 0.00 0.18 0.00 0.00 39.33 39.98 3k1f h ASP 939 CO 0.03 -0.11 -0.27 -0.09 -3.12 0.00 0.00 179.24 175.67 3k1f h ARG 940 N -0.57 -0.13 0.00 3.56 2.43 -1.02 0.11 114.38 118.76 3k1f h ARG 940 Ca -0.04 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3k1f h ARG 940 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3k1f h ARG 940 CO 0.07 -0.09 -0.38 0.87 -1.51 0.00 0.00 179.97 178.93 3k1f h LYS 941 N -0.14 0.00 -0.08 0.20 1.79 -1.51 -1.96 116.57 114.88 3k1f h LYS 941 Ca 0.24 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.57 3k1f h LYS 941 Cb 0.52 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3k1f h LYS 941 CO -0.62 0.38 -0.50 0.35 -1.08 0.00 0.00 179.45 177.98 3k1f h PHE 942 N 0.00 0.66 -0.41 -1.35 3.57 -0.15 -3.08 116.94 116.18 3k1f h PHE 942 Ca -0.00 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 3k1f h PHE 942 Cb 0.70 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3k1f h PHE 942 CO 0.00 1.08 0.11 -0.07 -2.23 0.00 0.00 178.31 177.21 3k1f h LEU 943 N 0.05 0.61 0.00 0.59 3.38 -0.98 -1.65 115.31 117.31 3k1f h LEU 943 Ca -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3k1f h LEU 943 Cb 1.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3k1f h LEU 943 CO 0.10 0.67 0.00 0.54 0.09 0.00 0.00 178.44 179.84 3k1f n ARG 944 N -4.57 0.11 -0.09 1.13 1.74 -0.74 -1.37 116.66 112.86 3k1f n ARG 944 Ca -0.00 0.23 -0.15 0.00 -0.77 0.00 0.00 57.85 57.15 3k1f n ARG 944 Cb 0.19 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.00 3k1f n ARG 944 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3k1f n GLU 945 N -1.35 0.68 0.00 5.56 2.13 -0.93 -4.48 120.64 122.24 3k1f n GLU 945 Ca 0.04 0.13 -0.17 0.00 0.66 0.00 0.00 57.16 57.82 3k1f n GLU 945 Cb 0.10 -1.57 -0.11 0.00 0.27 0.00 0.00 31.44 30.13 3k1f n GLU 945 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3k1f h VAL 946 N 0.01 1.41 -3.61 6.31 2.07 -0.46 -3.43 116.25 118.55 3k1f h VAL 946 Ca -0.52 -2.05 -0.68 0.00 0.82 0.00 0.00 66.70 64.27 3k1f h VAL 946 Cb 2.04 2.53 -0.26 0.00 -1.52 0.00 0.00 31.29 34.08 3k1f h VAL 946 CO -0.01 0.60 -0.61 -0.36 0.02 0.00 0.00 177.57 177.21 3k1f s PHE 947 N -3.28 3.16 0.11 1.57 0.40 -0.47 -5.00 117.98 114.47 3k1f s PHE 947 Ca -0.13 -0.94 -0.28 0.00 -0.60 0.00 0.00 56.93 54.98 3k1f s PHE 947 Cb 0.04 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 3k1f s PHE 947 CO 0.83 -0.57 1.63 0.28 0.70 0.00 0.00 175.22 178.09 3k1f h VAL 948 N 5.85 0.38 -0.03 -0.44 2.07 -1.83 -2.60 116.25 119.64 3k1f h VAL 948 Ca -0.31 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3k1f h VAL 948 Cb 1.13 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3k1f h VAL 948 CO 0.61 0.00 -0.48 -2.24 0.02 0.00 0.00 177.57 175.48 3k1f h ASP 949 N -0.53 0.08 -3.34 0.57 2.03 -1.93 -3.47 116.42 109.84 3k1f h ASP 949 Ca 0.02 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 3k1f h ASP 949 Cb 0.54 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.02 3k1f h ASP 949 CO -0.14 0.55 -0.03 0.61 -1.03 0.00 0.00 179.24 179.20 3k1f n GLY 950 N -0.12 -0.21 3.70 7.15 0.00 -0.98 -4.79 105.19 109.94 3k1f n GLY 950 Ca -0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3k1f n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k1f s GLU 951 N -3.04 4.24 0.14 1.61 2.56 -1.26 -4.83 118.70 118.12 3k1f s GLU 951 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 54.97 55.24 3k1f s GLU 951 Cb -0.00 -3.48 -0.08 0.00 2.00 0.00 0.00 34.13 32.57 3k1f s GLU 951 CO 0.11 0.08 1.32 0.00 -0.56 0.00 0.00 175.26 176.20 3k1f h ALA 952 N 7.02 0.41 -1.88 6.30 0.00 -1.93 -3.45 119.26 125.74 3k1f h ALA 952 Ca -0.39 -0.76 -0.58 0.00 0.00 0.00 0.00 54.91 53.19 3k1f h ALA 952 Cb 1.17 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3k1f h ALA 952 CO 0.74 0.93 0.78 -0.80 0.00 0.00 0.00 179.25 180.90 3k1f s ASN 953 N -6.98 6.70 -0.02 0.00 0.01 -1.25 -0.92 114.94 112.48 3k1f s ASN 953 Ca -0.03 0.60 -0.10 0.00 -0.71 0.00 0.00 52.86 52.61 3k1f s ASN 953 Cb 0.09 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3k1f s ASN 953 CO 0.84 -1.04 0.23 0.26 -1.51 0.00 0.00 177.10 175.88 3k1f s TRP 954 N 3.92 -0.11 -0.26 2.20 0.52 -0.39 -4.96 118.94 119.87 3k1f s TRP 954 Ca 0.43 0.19 -0.29 0.00 0.02 0.00 0.00 56.10 56.46 3k1f s TRP 954 Cb -0.10 0.04 0.01 0.00 -1.15 0.00 0.00 33.47 32.26 3k1f s TRP 954 CO 0.24 -0.29 1.15 -1.25 0.02 0.00 0.00 176.95 176.81 3k1f s PRO 955 N -1.03 4.13 0.01 4.98 0.05 -1.26 -1.33 135.00 140.55 3k1f s PRO 955 Ca -0.11 1.32 -0.04 0.00 0.05 0.00 0.00 61.00 62.22 3k1f s PRO 955 Cb -0.05 -3.74 -0.01 0.00 0.05 0.00 0.00 34.50 30.75 3k1f s PRO 955 CO 0.02 -0.82 0.06 -0.51 0.05 0.00 0.00 177.00 175.80 3k1f s LEU 956 N 3.62 1.86 1.00 -3.56 1.43 0.02 -4.88 118.68 118.17 3k1f s LEU 956 Ca 0.49 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 3k1f s LEU 956 Cb -0.16 0.42 0.19 0.00 0.03 0.00 0.00 46.19 46.67 3k1f s LEU 956 CO 0.14 -0.33 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 3k1f s PRO 957 N -1.39 0.42 -0.10 1.29 0.04 -1.26 -2.83 135.00 131.17 3k1f s PRO 957 Ca -0.15 0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 3k1f s PRO 957 Cb -0.08 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.73 3k1f s PRO 957 CO 0.00 -2.70 0.15 0.28 0.04 0.00 0.00 177.00 174.77 3k1f n VAL 958 N -4.12-11.26 -2.54 -0.36 0.31 -1.26 -4.84 118.33 94.26 3k1f n VAL 958 Ca 0.07 2.40 -0.41 0.00 -0.01 0.00 0.00 64.34 66.39 3k1f n VAL 958 Cb 0.58 -5.89 -0.03 0.00 -0.91 0.00 0.00 33.84 27.60 3k1f n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3k1f s ASN 959 N -0.53 6.38 0.17 4.52 2.47 -1.26 -4.81 114.94 121.89 3k1f s ASN 959 Ca -0.17 -1.23 -0.14 0.00 0.42 0.00 0.00 52.86 51.74 3k1f s ASN 959 Cb 0.01 -2.57 0.09 0.00 -1.45 0.00 0.00 41.25 37.34 3k1f s ASN 959 CO 0.47 -1.62 1.81 0.40 -3.72 0.00 0.00 177.10 174.44 3k1f h ILE 960 N 6.68 1.04 -0.62 -5.21 5.03 -1.97 -2.87 117.51 119.58 3k1f h ILE 960 Ca 0.11 -0.20 0.11 0.00 -0.12 0.00 0.00 64.86 64.76 3k1f h ILE 960 Cb 1.02 0.42 -0.12 0.00 -3.03 0.00 0.00 36.82 35.11 3k1f h ILE 960 CO 1.39 0.10 -0.33 0.03 -0.68 0.00 0.00 178.15 178.67 3k1f h ARG 961 N 0.57 -0.14 0.30 2.37 3.08 -2.01 -2.67 114.38 115.89 3k1f h ARG 961 Ca 0.20 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3k1f h ARG 961 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3k1f h ARG 961 CO -0.10 -0.09 -0.15 0.00 -1.07 0.00 0.00 179.97 178.56 3k1f h ARG 962 N -0.15 -0.40 -0.92 0.04 3.08 -1.92 -3.12 114.38 111.01 3k1f h ARG 962 Ca 0.24 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.45 3k1f h ARG 962 Cb 0.55 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 3k1f h ARG 962 CO -0.70 -0.26 0.53 0.82 -1.07 0.00 0.00 179.97 179.29 3k1f h ILE 963 N -0.41 0.83 0.45 2.04 2.04 -1.27 0.10 117.51 121.29 3k1f h ILE 963 Ca -0.04 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3k1f h ILE 963 Cb 0.32 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3k1f h ILE 963 CO 0.06 0.15 -0.37 0.40 0.00 0.00 0.00 178.15 178.39 3k1f h ILE 964 N 0.80 0.25 -0.24 -0.67 2.04 -1.48 0.38 117.51 118.60 3k1f h ILE 964 Ca 0.48 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.37 3k1f h ILE 964 Cb 0.57 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3k1f h ILE 964 CO -0.31 0.00 0.01 1.56 0.00 0.00 0.00 178.15 179.41 3k1f h GLN 965 N -0.81 0.08 -0.62 2.37 4.20 -1.35 -1.04 115.11 117.94 3k1f h GLN 965 Ca -0.04 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3k1f h GLN 965 Cb 0.70 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3k1f h GLN 965 CO -0.01 0.06 0.41 -0.91 -0.67 0.00 0.00 178.83 177.70 3k1f h ASN 966 N 0.09 0.59 -0.26 1.46 2.35 -0.48 -0.26 115.58 119.07 3k1f h ASN 966 Ca 0.11 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 3k1f h ASN 966 Cb 0.14 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3k1f h ASN 966 CO -0.18 0.40 -0.46 0.00 -1.65 0.00 0.00 177.43 175.54 3k1f h ALA 967 N 1.65 0.41 0.00 -0.83 0.00 0.34 -1.28 119.26 119.55 3k1f h ALA 967 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3k1f h ALA 967 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k1f h ALA 967 CO -0.07 0.56 0.00 1.96 0.00 0.00 0.00 179.25 181.69 3k1f h GLN 968 N 0.52 0.00 0.00 0.00 4.20 0.17 0.08 115.11 120.08 3k1f h GLN 968 Ca 0.02 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3k1f h GLN 968 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3k1f h GLN 968 CO 0.10 0.00 -0.55 1.96 -0.67 0.00 0.00 178.83 179.67 3k1f h GLN 969 N 0.00 0.00 0.13 1.46 4.20 -0.94 -3.23 115.11 116.73 3k1f h GLN 969 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3k1f h GLN 969 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3k1f h GLN 969 CO 0.00 0.92 -0.06 1.15 -0.67 0.00 0.00 178.83 180.17 3k1f h THR 970 N -1.00 0.99 -0.15 -0.54 2.02 -0.93 -3.28 112.91 110.03 3k1f h THR 970 Ca -0.15 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3k1f h THR 970 Cb 1.07 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3k1f h THR 970 CO -0.09 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3k1f n PHE 971 N -5.06 0.18 -3.91 3.16 3.01 -0.01 -4.97 117.46 109.87 3k1f n PHE 971 Ca -0.09 -0.09 -0.30 0.00 1.01 0.00 0.00 57.45 57.98 3k1f n PHE 971 Cb 0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.66 3k1f n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3k1f n HIS 972 N 0.40 -1.67 -1.85 1.38 8.25 -1.24 -4.87 115.22 115.63 3k1f n HIS 972 Ca 0.17 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.77 3k1f n HIS 972 Cb 0.36 -3.48 -0.03 0.00 1.12 0.00 0.00 29.99 27.97 3k1f n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1f s ILE 973 N -3.79 3.20 -0.23 1.59 1.01 -1.22 -5.00 121.20 116.76 3k1f s ILE 973 Ca 0.20 0.37 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 3k1f s ILE 973 Cb -0.08 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3k1f s ILE 973 CO 0.90 -0.02 -0.03 1.51 0.00 0.00 0.00 174.94 177.29 3k1f s ASP 974 N 3.53 4.40 0.00 3.58 -4.77 -1.26 -5.02 116.67 117.13 3k1f s ASP 974 Ca 0.80 -0.43 -0.04 0.00 -3.30 0.00 0.00 52.55 49.57 3k1f s ASP 974 Cb -0.39 -1.75 -0.18 0.00 -1.09 0.00 0.00 42.92 39.50 3k1f s ASP 974 CO 0.35 -0.04 2.85 1.41 0.70 0.00 0.00 175.17 180.44 3k1f n HIS 975 N 4.80 0.00 0.06 2.11 8.25 -1.26 -3.51 115.22 125.68 3k1f n HIS 975 Ca -0.18 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.11 3k1f n HIS 975 Cb 0.50 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.38 3k1f n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k1f n THR 976 N 2.40 0.36 -2.65 1.59 -2.24 -1.26 -5.09 114.28 107.39 3k1f n THR 976 Ca 0.29 0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.79 3k1f n THR 976 Cb 0.70 -1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 3k1f n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3k1f s LYS 977 N -2.00 4.77 0.54 -0.78 1.02 -1.23 -4.93 119.74 117.13 3k1f s LYS 977 Ca 0.00 1.60 -0.19 0.00 0.02 0.00 0.00 55.97 57.40 3k1f s LYS 977 Cb 0.00 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.99 3k1f s LYS 977 CO 0.00 0.39 1.10 -1.25 -0.92 0.00 0.00 175.35 174.67 3k1f s PRO 978 N -1.15 3.41 -0.00 -1.68 0.04 -1.22 -4.91 135.00 129.48 3k1f s PRO 978 Ca 0.43 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3k1f s PRO 978 Cb -0.28 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3k1f s PRO 978 CO 0.35 -0.78 1.21 0.45 0.04 0.00 0.00 177.00 178.26 3k1f s SER 979 N -1.95 7.05 0.33 6.66 0.15 -1.00 -4.71 113.70 120.24 3k1f s SER 979 Ca 0.70 1.91 0.12 0.00 0.70 0.00 0.00 55.95 59.39 3k1f s SER 979 Cb -0.21 -2.57 0.58 0.00 -1.71 0.00 0.00 66.02 62.11 3k1f s SER 979 CO 0.27 -0.54 1.73 -2.24 1.20 0.00 0.00 173.24 173.66 3k1f h ASP 980 N 7.22 0.00 -1.80 5.45 2.03 -1.89 0.24 116.42 127.66 3k1f h ASP 980 Ca -0.38 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.31 3k1f h ASP 980 Cb 1.19 0.00 0.16 0.00 -0.83 0.00 0.00 39.33 39.84 3k1f h ASP 980 CO 0.85 0.47 -0.92 0.18 -1.03 0.00 0.00 179.24 178.79 3k1f n LEU 981 N -3.92 -2.68 -4.89 0.15 4.77 -1.26 -4.69 117.00 104.47 3k1f n LEU 981 Ca -0.01 0.80 -0.34 0.00 -0.03 0.00 0.00 56.01 56.42 3k1f n LEU 981 Cb 0.50 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 3k1f n LEU 981 CO 0.40 -4.16 -0.06 -0.89 -1.33 0.00 0.00 177.39 171.35 3k1f s THR 982 N -1.71 5.30 0.64 -5.08 2.01 -1.26 -4.62 115.64 110.91 3k1f s THR 982 Ca 0.59 0.12 0.32 0.00 0.31 0.00 0.00 61.69 63.03 3k1f s THR 982 Cb -0.61 -3.57 0.35 0.00 0.01 0.00 0.00 72.50 68.68 3k1f s THR 982 CO 0.63 0.33 2.04 -0.29 -0.69 0.00 0.00 174.62 176.63 3k1f h ILE 983 N 2.91 0.17 -0.01 1.82 2.10 -1.97 0.16 117.51 122.68 3k1f h ILE 983 Ca -0.49 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.43 3k1f h ILE 983 Cb 1.19 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3k1f h ILE 983 CO 0.67 0.00 -0.07 0.50 -1.08 0.00 0.00 178.15 178.17 3k1f h LYS 984 N 0.00 0.07 -0.93 2.19 3.64 -1.96 -3.09 116.57 116.49 3k1f h LYS 984 Ca 0.05 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 3k1f h LYS 984 Cb 0.59 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 3k1f h LYS 984 CO -0.00 0.74 0.56 -0.44 -2.27 0.00 0.00 179.45 178.04 3k1f h ASP 985 N -0.58 0.80 0.08 4.20 3.32 -1.10 -0.94 116.42 122.22 3k1f h ASP 985 Ca -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3k1f h ASP 985 Cb 0.75 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3k1f h ASP 985 CO 0.01 0.43 -0.04 0.40 -1.72 0.00 0.00 179.24 178.32 3k1f h ILE 986 N 0.89 0.00 -0.48 0.35 2.04 -1.47 -2.14 117.51 116.69 3k1f h ILE 986 Ca 0.46 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 66.36 3k1f h ILE 986 Cb 0.47 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.46 3k1f h ILE 986 CO -0.27 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.36 3k1f h VAL 987 N -0.17 0.54 0.00 1.67 2.07 -1.55 -0.62 116.25 118.19 3k1f h VAL 987 Ca -0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3k1f h VAL 987 Cb 0.08 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3k1f h VAL 987 CO 0.02 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.50 3k1f h LEU 988 N 0.02 0.00 -0.15 2.57 3.38 -1.32 -1.49 115.31 118.33 3k1f h LEU 988 Ca 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 3k1f h LEU 988 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3k1f h LEU 988 CO -0.48 0.04 -0.41 1.23 0.09 0.00 0.00 178.44 178.91 3k1f h GLY 989 N 2.37 0.59 0.83 0.83 0.00 -0.45 -2.21 103.07 105.03 3k1f h GLY 989 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 3k1f h GLY 989 CO 0.01 0.67 -0.19 -2.08 0.00 0.00 0.00 176.54 174.95 3k1f h VAL 990 N 0.16 1.33 -0.99 4.60 2.07 -1.14 -1.09 116.25 121.19 3k1f h VAL 990 Ca -0.01 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.27 3k1f h VAL 990 Cb 1.03 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 3k1f h VAL 990 CO 0.09 0.41 0.63 0.11 0.02 0.00 0.00 177.57 178.83 3k1f h LYS 991 N 0.16 1.03 -0.03 1.57 1.57 -1.34 -1.38 116.57 118.14 3k1f h LYS 991 Ca 0.03 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 3k1f h LYS 991 Cb 0.73 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.82 3k1f h LYS 991 CO 0.05 0.68 -0.84 0.22 -0.57 0.00 0.00 179.45 178.99 3k1f h ASP 992 N 1.06 0.79 -0.68 0.86 1.82 -1.36 -3.27 116.42 115.64 3k1f h ASP 992 Ca 0.46 -0.72 0.05 0.00 -0.39 0.00 0.00 57.03 56.44 3k1f h ASP 992 Cb 0.36 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 40.07 3k1f h ASP 992 CO -0.22 1.40 0.40 0.25 -1.61 0.00 0.00 179.24 179.46 3k1f h LEU 993 N 0.26 0.61 -0.53 2.28 5.85 -0.64 -2.37 115.31 120.77 3k1f h LEU 993 Ca -0.10 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3k1f h LEU 993 Cb 1.50 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 3k1f h LEU 993 CO 0.17 0.40 0.12 1.56 -0.34 0.00 0.00 178.44 180.34 3k1f h GLN 994 N 0.74 0.25 -0.29 1.25 4.20 -1.34 -1.16 115.11 118.75 3k1f h GLN 994 Ca 0.30 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.08 3k1f h GLN 994 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3k1f h GLN 994 CO -0.16 0.17 0.22 0.93 -0.67 0.00 0.00 178.83 179.31 3k1f h GLU 995 N 0.26 0.00 -0.00 1.46 4.39 -1.48 -1.99 114.58 117.21 3k1f h GLU 995 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3k1f h GLU 995 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3k1f h GLU 995 CO -0.34 0.00 -0.62 0.09 -1.16 0.00 0.00 179.01 176.99 3k1f n ASN 996 N -4.34 0.84 -4.57 1.42 3.02 -0.47 -4.78 115.26 106.37 3k1f n ASN 996 Ca 0.04 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.51 3k1f n ASN 996 Cb 0.38 0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 40.02 3k1f n ASN 996 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k1f s LEU 997 N -2.89 3.74 0.27 3.41 1.43 -0.75 -4.98 118.68 118.90 3k1f s LEU 997 Ca 0.12 -2.15 -0.08 0.00 -1.03 0.00 0.00 54.13 50.99 3k1f s LEU 997 Cb 0.17 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 3k1f s LEU 997 CO 0.72 -1.27 0.57 -0.76 0.23 0.00 0.00 176.35 175.84 3k1f s LEU 998 N 4.45 4.10 0.00 1.79 1.43 -1.26 -4.97 118.68 124.22 3k1f s LEU 998 Ca 0.52 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 3k1f s LEU 998 Cb 0.03 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3k1f s LEU 998 CO 0.03 -0.15 0.00 0.52 0.23 0.00 0.00 176.35 176.98 3k1f n VAL 999 N -0.52 0.00 -4.96 -1.59 0.31 -1.26 -4.75 118.33 105.55 3k1f n VAL 999 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3k1f n VAL 999 Cb 0.53 -0.36 -0.17 0.00 -0.91 0.00 0.00 33.84 32.93 3k1f n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k1f s LEU 1000N -4.17 2.02 -0.04 7.52 1.43 -1.26 -5.01 118.68 119.17 3k1f s LEU 1000Ca 0.00 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3k1f s LEU 1000Cb 0.00 -1.33 -0.23 0.00 0.03 0.00 0.00 46.19 44.65 3k1f s LEU 1000CO 0.00 0.12 0.66 0.03 0.23 0.00 0.00 176.35 177.39 3k1f h ARG 1001N 6.94 0.04 -3.82 1.70 3.08 -1.96 -3.47 114.38 116.89 3k1f h ARG 1001Ca -0.24 -0.07 -0.47 0.00 0.07 0.00 0.00 59.98 59.27 3k1f h ARG 1001Cb 1.22 0.02 0.05 0.00 0.08 0.00 0.00 29.97 31.34 3k1f h ARG 1001CO 0.49 0.62 -0.12 0.41 -1.07 0.00 0.00 179.97 180.30 3k1f n GLY 1002N 1.60 -0.58 0.22 0.04 0.00 -1.26 -4.92 105.19 100.28 3k1f n GLY 1002Ca -0.18 0.37 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3k1f n GLY 1002CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f h LYS 1003N 1.36 0.49 -7.35 1.61 6.56 -1.98 -3.39 116.57 113.87 3k1f h LYS 1003Ca -0.26 -0.25 -0.46 0.00 -1.06 0.00 0.00 60.65 58.62 3k1f h LYS 1003Cb 0.91 0.00 0.16 0.00 -0.57 0.00 0.00 32.23 32.73 3k1f h LYS 1003CO 0.39 0.82 0.21 0.54 -2.06 0.00 0.00 179.45 179.35 3k1f s ASN 1004N -6.86 2.87 0.09 0.86 2.20 -1.26 -4.85 114.94 108.00 3k1f s ASN 1004Ca -0.07 1.30 -0.28 0.00 -0.94 0.00 0.00 52.86 52.88 3k1f s ASN 1004Cb 0.13 -1.97 -0.14 0.00 -2.00 0.00 0.00 41.25 37.26 3k1f s ASN 1004CO 0.81 -2.99 1.67 -0.08 -2.94 0.00 0.00 177.10 173.57 3k1f h GLU 1005N -1.79 -0.45 -0.51 3.55 4.57 -1.99 -1.66 114.58 116.30 3k1f h GLU 1005Ca -0.53 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 57.78 3k1f h GLU 1005Cb 1.31 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.91 3k1f h GLU 1005CO 0.56 -0.30 -0.08 0.82 -1.18 0.00 0.00 179.01 178.83 3k1f h ILE 1006N -0.47 0.52 -0.26 2.32 2.04 -1.97 0.12 117.51 119.81 3k1f h ILE 1006Ca -0.02 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3k1f h ILE 1006Cb 0.40 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3k1f h ILE 1006CO 0.01 0.01 0.13 0.40 0.00 0.00 0.00 178.15 178.70 3k1f h ILE 1007N 0.04 1.14 -0.76 -0.67 1.08 -1.86 0.14 117.51 116.61 3k1f h ILE 1007Ca 0.25 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 3k1f h ILE 1007Cb 0.39 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3k1f h ILE 1007CO -0.50 0.14 0.40 1.56 -0.69 0.00 0.00 178.15 179.06 3k1f h GLN 1008N 0.30 1.07 -0.35 2.37 1.08 -0.33 -0.60 115.11 118.65 3k1f h GLN 1008Ca 0.09 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 57.02 3k1f h GLN 1008Cb 0.11 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3k1f h GLN 1008CO -0.01 0.80 -0.33 -0.97 -0.95 0.00 0.00 178.83 177.37 3k1f h ASN 1009N 1.07 0.83 -0.32 1.46 -0.73 -0.60 -1.86 115.58 115.44 3k1f h ASN 1009Ca 0.27 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 58.05 3k1f h ASN 1009Cb 0.06 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 3k1f h ASN 1009CO -0.04 1.09 0.05 0.00 -0.37 0.00 0.00 177.43 178.16 3k1f h ALA 1010N 0.96 0.42 -0.05 1.57 0.00 -0.45 -0.99 119.26 120.72 3k1f h ALA 1010Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k1f h ALA 1010Cb 0.88 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3k1f h ALA 1010CO 0.08 0.11 -0.14 0.37 0.00 0.00 0.00 179.25 179.67 3k1f h GLN 1011N 0.35 -0.20 -0.47 0.00 5.75 -1.10 -0.43 115.11 119.02 3k1f h GLN 1011Ca 0.10 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.69 3k1f h GLN 1011Cb 0.34 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.87 3k1f h GLN 1011CO 0.01 -0.13 0.04 -0.09 -2.65 0.00 0.00 178.83 176.01 3k1f h ARG 1012N -0.20 0.16 0.57 1.69 2.43 -1.16 -1.75 114.38 116.11 3k1f h ARG 1012Ca 0.07 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3k1f h ARG 1012Cb 0.29 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3k1f h ARG 1012CO -0.17 0.10 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.68 3k1f h ASP 1013N 0.16 -0.65 -1.00 -3.80 5.19 -0.76 -2.88 116.42 112.68 3k1f h ASP 1013Ca 0.23 -0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.72 3k1f h ASP 1013Cb 0.33 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.92 3k1f h ASP 1013CO -0.35 -0.32 0.63 0.00 -3.12 0.00 0.00 179.24 176.08 3k1f h ALA 1014N -0.70 1.49 0.00 3.45 0.00 -0.97 -1.89 119.26 120.64 3k1f h ALA 1014Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k1f h ALA 1014Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k1f h ALA 1014CO 0.13 0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.90 3k1f h VAL 1015N 1.01 0.00 -0.38 0.00 2.07 -1.36 -3.40 116.25 114.18 3k1f h VAL 1015Ca 0.49 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3k1f h VAL 1015Cb 0.46 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3k1f h VAL 1015CO -0.26 0.00 -0.22 0.41 0.02 0.00 0.00 177.57 177.52 3k1f n THR 1016N -2.77 -0.26 -0.25 2.57 -1.04 -0.71 -1.52 114.28 110.30 3k1f n THR 1016Ca 0.04 1.35 0.02 0.00 -2.04 0.00 0.00 64.05 63.41 3k1f n THR 1016Cb 0.43 -1.71 0.15 0.00 -1.82 0.00 0.00 70.33 67.38 3k1f n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3k1f h LEU 1017N 0.00 0.42 -0.64 -4.42 5.85 -1.81 -1.37 115.31 113.34 3k1f h LEU 1017Ca 0.06 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3k1f h LEU 1017Cb 0.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3k1f h LEU 1017CO -0.36 0.23 0.14 0.15 -0.34 0.00 0.00 178.44 178.26 3k1f h PHE 1018N 0.56 1.10 -0.21 1.25 3.57 -1.58 -2.01 116.94 119.63 3k1f h PHE 1018Ca 0.36 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3k1f h PHE 1018Cb 0.42 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3k1f h PHE 1018CO -0.12 0.92 -0.11 0.00 -2.23 0.00 0.00 178.31 176.77 3k1f h LEU 1021N 1.00 0.99 -0.23 0.00 5.85 -1.00 -1.65 115.31 120.27 3k1f h LEU 1021Ca 0.18 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3k1f h LEU 1021Cb 0.54 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3k1f h LEU 1021CO 0.03 1.17 0.15 0.25 -0.34 0.00 0.00 178.44 179.70 3k1f h LEU 1022N 0.80 0.26 -0.66 2.25 5.85 -0.86 -1.85 115.31 121.11 3k1f h LEU 1022Ca 0.10 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3k1f h LEU 1022Cb 0.80 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3k1f h LEU 1022CO 0.07 0.20 0.05 0.03 -0.34 0.00 0.00 178.44 178.45 3k1f h ARG 1023N 0.30 1.10 -0.64 1.25 3.08 -1.11 -0.23 114.38 118.13 3k1f h ARG 1023Ca 0.08 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3k1f h ARG 1023Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3k1f h ARG 1023CO -0.02 1.03 0.42 0.66 -1.07 0.00 0.00 179.97 181.00 3k1f h SER 1024N 1.01 0.74 0.24 7.04 4.64 -1.05 -2.78 113.55 123.38 3k1f h SER 1024Ca 0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k1f h SER 1024Cb 0.50 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3k1f h SER 1024CO 0.02 0.54 -1.08 0.54 -0.87 0.00 0.00 176.83 175.97 3k1f n ARG 1025N -4.44 0.20 -2.11 4.77 5.12 -0.72 -4.51 116.66 114.99 3k1f n ARG 1025Ca 0.06 -0.03 -0.30 0.00 -1.93 0.00 0.00 57.85 55.66 3k1f n ARG 1025Cb 0.04 -1.54 0.02 0.00 -1.16 0.00 0.00 32.46 29.82 3k1f n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3k1f n LEU 1026N -1.79 5.73 -4.89 0.55 4.77 -0.11 -4.67 117.00 116.58 3k1f n LEU 1026Ca 0.02 -4.91 -0.30 0.00 -0.03 0.00 0.00 56.01 50.80 3k1f n LEU 1026Cb 0.41 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 3k1f n LEU 1026CO 0.41 2.01 0.29 0.00 -1.33 0.00 0.00 177.39 178.77 3k1f s ALA 1027N -3.70 3.52 0.61 -1.18 0.00 -1.21 -4.91 121.76 114.89 3k1f s ALA 1027Ca 0.52 -0.39 0.33 0.00 0.00 0.00 0.00 51.96 52.42 3k1f s ALA 1027Cb 0.42 -2.46 1.94 0.00 0.00 0.00 0.00 23.12 23.02 3k1f s ALA 1027CO -0.16 0.20 2.24 1.79 0.00 0.00 0.00 175.76 179.83 3k1f h THR 1028N 1.38 0.36 0.22 0.00 1.35 -1.94 -0.80 112.91 113.48 3k1f h THR 1028Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 3k1f h THR 1028Cb 1.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3k1f h THR 1028CO 0.66 0.00 -0.10 0.03 -0.25 0.00 0.00 175.52 175.85 3k1f h ARG 1029N 0.00 -0.28 -0.53 4.72 2.47 -1.82 -3.25 114.38 115.70 3k1f h ARG 1029Ca 0.02 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 58.86 3k1f h ARG 1029Cb 0.13 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.41 3k1f h ARG 1029CO -0.00 -0.19 -0.14 0.00 0.56 0.00 0.00 179.97 180.21 3k1f h ARG 1030N -0.91 -0.00 -0.70 0.04 3.08 -1.71 -1.30 114.38 112.87 3k1f h ARG 1030Ca -0.03 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.11 3k1f h ARG 1030Cb 0.22 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 3k1f h ARG 1030CO 0.05 -0.00 0.35 0.28 -1.07 0.00 0.00 179.97 179.58 3k1f h VAL 1031N -0.01 0.86 -0.42 2.04 2.07 -1.31 -0.63 116.25 118.85 3k1f h VAL 1031Ca 0.25 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 3k1f h VAL 1031Cb 0.39 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 3k1f h VAL 1031CO -0.54 0.11 0.02 0.18 0.02 0.00 0.00 177.57 177.35 3k1f n LEU 1032N -4.86 4.43 0.11 2.57 4.77 -0.87 -1.55 117.00 121.60 3k1f n LEU 1032Ca 0.11 -3.67 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 3k1f n LEU 1032Cb 0.26 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3k1f n LEU 1032CO 0.25 1.17 0.00 1.67 -1.33 0.00 0.00 177.39 179.15 3k1f n GLN 1033N -1.05 0.00 0.10 3.23 7.27 -0.55 -4.69 117.38 121.68 3k1f n GLN 1033Ca 0.35 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.23 3k1f n GLN 1033Cb 1.10 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.63 3k1f n GLN 1033CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3k1f h GLU 1034N 0.00 0.49 0.00 3.69 5.08 -1.60 -3.39 114.58 118.85 3k1f h GLU 1034Ca 0.00 -0.68 -0.30 0.00 -1.00 0.00 0.00 59.36 57.38 3k1f h GLU 1034Cb 0.00 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3k1f h GLU 1034CO 0.00 1.29 -2.13 0.66 -1.00 0.00 0.00 179.01 177.83 3k1f n TYR 1035N -3.72 0.00 -3.53 4.33 0.53 -0.29 -5.05 117.16 109.44 3k1f n TYR 1035Ca -0.11 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.57 3k1f n TYR 1035Cb 0.97 -0.75 0.07 0.00 -1.03 0.00 0.00 39.34 38.60 3k1f n TYR 1035CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3k1f n ARG 1036N -3.23 -6.33 -1.99 -0.72 5.12 -0.67 -4.97 116.66 103.87 3k1f n ARG 1036Ca -0.36 0.78 -0.38 0.00 -1.93 0.00 0.00 57.85 55.96 3k1f n ARG 1036Cb 0.86 -5.69 0.02 0.00 -1.16 0.00 0.00 32.46 26.48 3k1f n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3k1f s LEU 1037N -6.58 3.98 0.56 0.55 1.43 -0.60 -4.83 118.68 113.20 3k1f s LEU 1037Ca 0.09 2.60 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 3k1f s LEU 1037Cb -0.04 -4.18 0.05 0.00 0.03 0.00 0.00 46.19 42.04 3k1f s LEU 1037CO 0.75 -1.21 0.79 0.42 0.23 0.00 0.00 176.35 177.33 3k1f s THR 1038N -1.37 2.61 0.12 5.49 -4.23 -1.26 -4.76 115.64 112.23 3k1f s THR 1038Ca 0.66 -0.69 -0.20 0.00 -1.18 0.00 0.00 61.69 60.27 3k1f s THR 1038Cb -0.36 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.49 3k1f s THR 1038CO 0.44 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.77 3k1f h LYS 1039N 0.04 0.12 0.01 3.99 1.63 -1.97 0.33 116.57 120.73 3k1f h LYS 1039Ca -0.41 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.39 3k1f h LYS 1039Cb 1.29 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 3k1f h LYS 1039CO 0.50 0.08 -0.05 0.37 -3.45 0.00 0.00 179.45 176.89 3k1f h GLN 1040N 0.12 -0.10 -0.28 1.90 4.15 -1.99 -0.57 115.11 118.34 3k1f h GLN 1040Ca 0.07 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3k1f h GLN 1040Cb 0.04 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3k1f h GLN 1040CO -0.07 -0.07 0.17 0.00 -1.93 0.00 0.00 178.83 176.93 3k1f h ALA 1041N 0.88 0.35 0.37 3.38 0.00 -1.92 -1.20 119.26 121.12 3k1f h ALA 1041Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k1f h ALA 1041Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k1f h ALA 1041CO -0.05 -0.20 -0.18 0.35 0.00 0.00 0.00 179.25 179.17 3k1f h PHE 1042N 0.35 -0.46 -0.33 0.00 3.57 -0.78 -0.07 116.94 119.22 3k1f h PHE 1042Ca 0.11 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3k1f h PHE 1042Cb -0.01 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3k1f h PHE 1042CO -0.07 -0.27 0.22 -0.44 -2.23 0.00 0.00 178.31 175.52 3k1f h ASP 1043N -0.52 0.37 -0.17 0.41 3.32 -1.02 -1.11 116.42 117.70 3k1f h ASP 1043Ca -0.05 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3k1f h ASP 1043Cb 0.39 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3k1f h ASP 1043CO 0.08 0.26 -0.20 -0.25 -1.72 0.00 0.00 179.24 177.41 3k1f h TRP 1044N 0.43 0.53 -0.34 4.55 7.01 -0.99 -2.81 115.95 124.33 3k1f h TRP 1044Ca 0.12 -0.17 0.05 0.00 2.11 0.00 0.00 58.89 61.01 3k1f h TRP 1044Cb -0.03 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 3k1f h TRP 1044CO -0.00 0.83 0.08 0.28 -2.79 0.00 0.00 178.44 176.84 3k1f h VAL 1045N 0.07 0.84 -0.23 2.65 2.07 -0.24 -0.68 116.25 120.74 3k1f h VAL 1045Ca 0.02 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3k1f h VAL 1045Cb 0.76 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3k1f h VAL 1045CO 0.05 0.04 -0.04 -0.07 0.02 0.00 0.00 177.57 177.57 3k1f h LEU 1046N 0.20 -0.17 -0.85 2.57 3.38 -1.25 -0.62 115.31 118.56 3k1f h LEU 1046Ca 0.16 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3k1f h LEU 1046Cb 0.18 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3k1f h LEU 1046CO -0.21 -0.06 0.53 -1.28 0.09 0.00 0.00 178.44 177.52 3k1f h SER 1047N 0.02 0.86 -0.05 -0.43 0.87 -1.16 -1.27 113.55 112.40 3k1f h SER 1047Ca 0.11 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 3k1f h SER 1047Cb 0.16 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3k1f h SER 1047CO -0.22 0.57 -0.40 0.78 -0.53 0.00 0.00 176.83 177.04 3k1f h ASN 1048N 1.01 0.60 -0.01 6.23 2.35 -0.52 -0.97 115.58 124.27 3k1f h ASN 1048Ca 0.35 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3k1f h ASN 1048Cb 0.09 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3k1f h ASN 1048CO -0.14 0.93 0.00 0.40 -1.65 0.00 0.00 177.43 176.97 3k1f h ILE 1049N 0.47 1.17 -0.16 2.81 2.04 -0.81 -1.14 117.51 121.89 3k1f h ILE 1049Ca 0.04 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3k1f h ILE 1049Cb 0.89 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 3k1f h ILE 1049CO 0.08 0.13 -0.20 -0.08 0.00 0.00 0.00 178.15 178.08 3k1f h GLU 1050N -0.20 -0.23 -0.15 2.37 4.81 -1.09 -0.47 114.58 119.63 3k1f h GLU 1050Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3k1f h GLU 1050Cb 0.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3k1f h GLU 1050CO -0.00 -0.15 0.04 0.00 -0.73 0.00 0.00 179.01 178.17 3k1f h ALA 1051N 0.80 0.19 0.00 2.92 0.00 -1.17 -1.13 119.26 120.86 3k1f h ALA 1051Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k1f h ALA 1051Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k1f h ALA 1051CO -0.30 -0.18 -0.12 1.96 0.00 0.00 0.00 179.25 180.60 3k1f h GLN 1052N 0.05 0.00 0.01 0.00 4.20 -1.05 -1.06 115.11 117.26 3k1f h GLN 1052Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3k1f h GLN 1052Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3k1f h GLN 1052CO -0.00 0.12 -0.10 0.35 -0.67 0.00 0.00 178.83 178.53 3k1f h PHE 1053N 0.00 0.08 -0.61 2.96 3.57 -0.95 -3.07 116.94 118.91 3k1f h PHE 1053Ca -0.00 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.54 3k1f h PHE 1053Cb 0.23 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3k1f h PHE 1053CO 0.00 0.96 0.41 -0.07 -2.23 0.00 0.00 178.31 177.38 3k1f h LEU 1054N -0.83 0.42 -0.55 0.59 3.38 -0.97 -1.46 115.31 115.90 3k1f h LEU 1054Ca -0.02 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3k1f h LEU 1054Cb 1.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3k1f h LEU 1054CO 0.02 0.26 -0.13 0.03 0.09 0.00 0.00 178.44 178.71 3k1f h ARG 1055N 0.47 1.03 0.00 1.13 3.08 -1.29 -3.28 114.38 115.53 3k1f h ARG 1055Ca 0.28 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3k1f h ARG 1055Cb 0.47 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3k1f h ARG 1055CO -0.08 1.08 -0.02 0.77 -1.07 0.00 0.00 179.97 180.65 3k1f h SER 1056N 0.91 0.00 -3.73 7.04 0.02 -1.16 -3.45 113.55 113.18 3k1f h SER 1056Ca 0.14 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.54 3k1f h SER 1056Cb 0.70 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.36 3k1f h SER 1056CO 0.05 0.02 0.67 0.52 -1.14 0.00 0.00 176.83 176.96 3k1f n VAL 1057N -3.32 2.11 -1.74 2.27 0.31 -1.22 -0.87 118.33 115.86 3k1f n VAL 1057Ca -0.02 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.43 3k1f n VAL 1057Cb 0.14 -1.82 0.06 0.00 -0.91 0.00 0.00 33.84 31.31 3k1f n VAL 1057CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3k1f s VAL 1058N -1.12 2.02 -0.39 2.52 1.01 -0.62 -4.51 120.40 119.31 3k1f s VAL 1058Ca 0.55 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3k1f s VAL 1058Cb -0.50 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3k1f s VAL 1058CO 0.62 -0.00 0.52 -1.00 0.00 0.00 0.00 175.10 175.24 3k1f s HIS 1059N -1.36 3.15 -0.30 5.22 0.09 -1.26 -4.96 115.29 115.87 3k1f s HIS 1059Ca 0.80 -0.00 -0.36 0.00 -0.00 0.00 0.00 55.06 55.49 3k1f s HIS 1059Cb -0.39 -3.01 -0.13 0.00 -0.00 0.00 0.00 32.58 29.06 3k1f s HIS 1059CO 0.42 -0.65 2.03 -2.30 -0.00 0.00 0.00 174.74 174.25 3k1f n PRO 1060N 5.82 1.24 0.00 8.40 -0.02 -1.26 -0.94 135.00 148.24 3k1f n PRO 1060Ca -0.05 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3k1f n PRO 1060Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3k1f n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1f n GLY 1061N 5.67 1.64 3.63 -1.23 0.00 0.04 -4.92 105.19 110.02 3k1f n GLY 1061Ca 0.35 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.88 3k1f n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1f n GLU 1062N 0.00 1.85 -0.53 1.61 -0.58 -0.12 -2.20 120.64 120.67 3k1f n GLU 1062Ca 0.00 0.64 -0.06 0.00 -0.42 0.00 0.00 57.16 57.32 3k1f n GLU 1062Cb 0.00 -2.61 -0.09 0.00 -0.57 0.00 0.00 31.44 28.17 3k1f n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3k1f n MET 1063N 7.03 1.07 -0.31 3.49 2.81 -1.26 -2.54 117.12 127.40 3k1f n MET 1063Ca 0.27 -0.51 0.28 0.00 -1.81 0.00 0.00 57.70 55.94 3k1f n MET 1063Cb 0.28 -1.73 0.50 0.00 -0.71 0.00 0.00 33.22 31.56 3k1f n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3k1f n VAL 1064N 2.62 -0.26 0.18 2.03 0.31 -1.25 -1.49 118.33 120.46 3k1f n VAL 1064Ca 0.22 1.50 -0.07 0.00 -0.01 0.00 0.00 64.34 65.98 3k1f n VAL 1064Cb 0.49 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 3k1f n VAL 1064CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3k1f h GLY 1065N 0.00 -0.48 0.84 2.92 0.00 -1.31 -0.78 103.07 104.26 3k1f h GLY 1065Ca 0.68 0.18 0.04 0.00 0.00 0.00 0.00 47.33 48.23 3k1f h GLY 1065CO -0.48 -0.17 0.59 -2.08 0.00 0.00 0.00 176.54 174.39 3k1f h VAL 1066N -0.55 1.13 -0.22 4.60 2.07 -1.25 -0.28 116.25 121.75 3k1f h VAL 1066Ca -0.05 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3k1f h VAL 1066Cb 0.35 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3k1f h VAL 1066CO 0.08 0.21 0.09 0.25 0.02 0.00 0.00 177.57 178.21 3k1f h LEU 1067N 1.13 0.11 -0.57 2.57 6.46 -1.34 -1.03 115.31 122.65 3k1f h LEU 1067Ca 0.38 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 3k1f h LEU 1067Cb 0.05 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3k1f h LEU 1067CO -0.13 0.10 0.35 0.00 -0.62 0.00 0.00 178.44 178.13 3k1f h ALA 1068N 1.13 0.72 -0.31 1.25 0.00 -0.46 -0.86 119.26 120.74 3k1f h ALA 1068Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3k1f h ALA 1068Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k1f h ALA 1068CO -0.08 0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.56 3k1f h ALA 1069N 1.18 0.39 0.00 0.00 0.00 -0.72 -2.66 119.26 117.44 3k1f h ALA 1069Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k1f h ALA 1069Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k1f h ALA 1069CO -0.04 -0.16 -0.40 1.96 0.00 0.00 0.00 179.25 180.61 3k1f h GLN 1070N 0.40 0.00 0.00 0.00 4.20 -1.00 0.23 115.11 118.94 3k1f h GLN 1070Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3k1f h GLN 1070Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3k1f h GLN 1070CO -0.03 0.40 -0.10 0.77 -0.67 0.00 0.00 178.83 179.20 3k1f h SER 1071N 0.00 0.00 0.07 1.46 0.02 -0.89 -1.54 113.55 112.67 3k1f h SER 1071Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.57 3k1f h SER 1071Cb 0.89 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3k1f h SER 1071CO 0.05 0.10 -2.25 -0.38 -1.14 0.00 0.00 176.83 173.21 3k1f n ILE 1072N -3.25 1.61 0.40 3.27 5.41 -1.03 -4.52 119.36 121.24 3k1f n ILE 1072Ca 0.00 -0.63 -0.17 0.00 1.00 0.00 0.00 62.75 62.95 3k1f n ILE 1072Cb 0.35 -1.47 -0.09 0.00 -0.71 0.00 0.00 39.64 37.73 3k1f n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3k1f h GLY 1073N 1.84 -1.05 0.03 7.39 0.00 -0.80 -3.11 103.07 107.37 3k1f h GLY 1073Ca -0.50 0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.30 3k1f h GLY 1073CO -0.00 -0.38 -0.17 -2.09 0.00 0.00 0.00 176.54 173.89 3k1f h GLU 1074N -1.15 -0.08 0.00 4.80 4.22 -1.52 -1.51 114.58 119.34 3k1f h GLU 1074Ca -0.10 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.33 3k1f h GLU 1074Cb 0.79 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3k1f h GLU 1074CO 0.17 -0.05 -0.08 -1.00 -2.18 0.00 0.00 179.01 175.87 3k1f h PRO 1075N -0.08 0.00 0.00 0.92 0.13 -1.80 -1.92 132.00 129.25 3k1f h PRO 1075Ca 0.21 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 3k1f h PRO 1075Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3k1f h PRO 1075CO -0.48 0.08 -0.65 0.00 -0.23 0.00 0.00 178.00 176.72 3k1f h ALA 1076N 1.92 0.86 0.05 -0.56 0.00 -1.32 -3.09 119.26 117.12 3k1f h ALA 1076Ca -0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 3k1f h ALA 1076Cb 0.61 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k1f h ALA 1076CO 0.01 0.81 -0.94 1.15 0.00 0.00 0.00 179.25 180.28 3k1f h THR 1077N 0.00 1.35 -0.20 0.00 2.02 -0.83 -3.28 112.91 111.97 3k1f h THR 1077Ca -0.01 -2.29 -0.11 0.00 0.77 0.00 0.00 66.41 64.78 3k1f h THR 1077Cb 1.20 2.64 -0.06 0.00 -1.74 0.00 0.00 68.15 70.19 3k1f h THR 1077CO 0.08 0.68 0.14 0.00 0.37 0.00 0.00 175.52 176.80 3k1f n GLN 1078N -3.99 1.26 -3.00 6.66 1.13 -0.76 -4.77 117.38 113.91 3k1f n GLN 1078Ca -0.12 -0.61 -0.44 0.00 -1.94 0.00 0.00 57.00 53.89 3k1f n GLN 1078Cb 0.84 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.93 3k1f n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3k1f s MET 1079N -0.67 3.72 -0.91 -1.09 -1.94 -1.17 -4.97 119.30 112.27 3k1f s MET 1079Ca 0.12 -2.08 -0.17 0.00 -1.71 0.00 0.00 55.69 51.84 3k1f s MET 1079Cb 0.10 -4.87 0.16 0.00 2.01 0.00 0.00 34.83 32.23 3k1f s MET 1079CO 0.02 -1.68 1.05 0.99 -0.01 0.00 0.00 175.02 175.38 3k1f s THR 1080N 1.96 4.97 0.10 2.05 2.01 -1.26 -5.01 115.64 120.46 3k1f s THR 1080Ca 0.33 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.50 3k1f s THR 1080Cb -0.05 -4.70 -0.01 0.00 0.01 0.00 0.00 72.50 67.75 3k1f s THR 1080CO -0.07 -1.39 0.05 0.18 -0.69 0.00 0.00 174.62 172.70 3k1f n LEU 1081N 5.85 0.00 -1.23 4.42 4.77 -1.26 -5.09 117.00 124.46 3k1f n LEU 1081Ca 0.22 -0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 55.31 3k1f n LEU 1081Cb 0.48 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3k1f n LEU 1081CO 0.46 -0.13 -0.04 1.17 -1.33 0.00 0.00 177.39 177.52 3k1f n LYS 1092N -0.22 -0.21 -3.22 3.23 0.00 -1.26 -5.03 118.16 111.45 3k1f n LYS 1092Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 58.31 58.46 3k1f n LYS 1092Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 35.03 34.94 3k1f n LYS 1092CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3k1f s LYS 1093N -0.28 0.50 -0.08 1.64 1.02 -1.26 -5.15 119.74 116.12 3k1f s LYS 1093Ca 0.04 0.51 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 3k1f s LYS 1093Cb -0.00 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.40 3k1f s LYS 1093CO 0.09 -0.93 0.21 0.08 -0.92 0.00 0.00 175.35 173.89 3k1f s VAL 1094N 2.72 -0.01 0.25 3.17 1.01 -1.26 -5.08 120.40 121.20 3k1f s VAL 1094Ca 0.12 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 3k1f s VAL 1094Cb -0.12 -0.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.81 3k1f s VAL 1094CO -0.25 0.01 1.38 0.35 0.00 0.00 0.00 175.10 176.59 3k1f n THR 1095N 3.26 1.07 -3.98 3.92 -2.24 -1.26 -5.01 114.28 110.04 3k1f n THR 1095Ca -0.16 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 3k1f n THR 1095Cb 0.57 -1.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.27 3k1f n THR 1095CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k1f s SER 1096N 0.21 0.07 0.00 3.42 1.04 -1.26 -4.63 113.70 112.55 3k1f s SER 1096Ca 0.67 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3k1f s SER 1096Cb -0.65 0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3k1f s SER 1096CO 0.51 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3k1f n GLY 1097N -0.20 -0.23 0.30 7.32 0.00 -1.26 -4.25 105.19 106.86 3k1f n GLY 1097Ca -0.07 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 44.85 3k1f n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k1f h VAL 1098N 0.00 0.53 0.52 1.61 2.07 -1.95 -1.27 116.25 117.77 3k1f h VAL 1098Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3k1f h VAL 1098Cb 0.00 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3k1f h VAL 1098CO 0.00 0.07 -0.25 1.55 0.02 0.00 0.00 177.57 178.96 3k1f h PRO 1099N 0.38 -0.67 -0.60 1.57 0.13 -1.98 -0.97 132.00 129.87 3k1f h PRO 1099Ca 0.49 0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.73 3k1f h PRO 1099Cb 0.86 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 3k1f h PRO 1099CO -0.50 -0.40 0.40 -0.09 -0.23 0.00 0.00 178.00 177.19 3k1f h ARG 1100N -0.82 0.54 0.13 0.86 9.65 -1.74 -0.29 114.38 122.72 3k1f h ARG 1100Ca -0.07 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 3k1f h ARG 1100Cb 0.59 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3k1f h ARG 1100CO 0.12 0.36 -0.06 1.25 2.80 0.00 0.00 179.97 184.43 3k1f h LEU 1101N 0.56 -0.15 -1.03 3.80 5.85 -1.05 -1.06 115.31 122.23 3k1f h LEU 1101Ca 0.26 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3k1f h LEU 1101Cb 0.32 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3k1f h LEU 1101CO -0.08 0.10 -0.04 0.11 -0.34 0.00 0.00 178.44 178.20 3k1f h LYS 1102N -0.40 0.65 -0.45 1.25 1.57 -0.70 -1.27 116.57 117.21 3k1f h LYS 1102Ca -0.02 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3k1f h LYS 1102Cb 0.33 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3k1f h LYS 1102CO 0.03 0.69 0.14 1.49 -0.57 0.00 0.00 179.45 181.23 3k1f h GLU 1103N 0.61 0.29 0.10 3.15 4.81 -0.95 0.19 114.58 122.78 3k1f h GLU 1103Ca 0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3k1f h GLU 1103Cb 0.44 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3k1f h GLU 1103CO 0.02 0.19 -0.05 0.82 -0.73 0.00 0.00 179.01 179.27 3k1f h ILE 1104N 0.30 1.14 -0.78 2.32 2.04 -0.91 -0.99 117.51 120.63 3k1f h ILE 1104Ca 0.22 -1.02 0.10 0.00 1.00 0.00 0.00 64.86 65.15 3k1f h ILE 1104Cb 0.23 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 3k1f h ILE 1104CO -0.24 0.24 0.51 -0.07 0.00 0.00 0.00 178.15 178.59 3k1f h LEU 1105N -0.61 0.63 -0.59 1.44 3.38 -1.02 -0.28 115.31 118.25 3k1f h LEU 1105Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1f h LEU 1105Cb 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k1f h LEU 1105CO 0.02 0.38 -0.18 0.59 0.09 0.00 0.00 178.44 179.34 3k1f n ASN 1106N -4.50 1.10 -3.48 -0.43 3.02 0.04 -1.45 115.26 109.56 3k1f n ASN 1106Ca 0.13 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.47 3k1f n ASN 1106Cb 0.33 0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 3k1f n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3k1f n VAL 1107N -0.46 -6.77 -2.06 2.41 0.31 -0.12 -4.80 118.33 106.85 3k1f n VAL 1107Ca 0.14 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 3k1f n VAL 1107Cb 0.34 -4.92 -0.03 0.00 -0.91 0.00 0.00 33.84 28.32 3k1f n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1f s ALA 1108N -3.16 3.62 -0.19 3.52 0.00 -0.44 -4.86 121.76 120.25 3k1f s ALA 1108Ca 0.18 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.19 3k1f s ALA 1108Cb -0.06 -3.72 0.08 0.00 0.00 0.00 0.00 23.12 19.43 3k1f s ALA 1108CO 0.83 -1.33 1.43 -0.22 0.00 0.00 0.00 175.76 176.47 3k1f h LYS 1109N 9.23 0.00 -3.42 0.00 1.63 -1.92 -3.36 116.57 118.73 3k1f h LYS 1109Ca -0.38 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 58.68 3k1f h LYS 1109Cb 1.17 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.47 3k1f h LYS 1109CO 0.95 0.43 0.08 1.21 -3.45 0.00 0.00 179.45 178.67 3k1f s ASN 1110N -6.39 6.43 0.05 4.20 3.84 -1.26 -5.06 114.94 116.75 3k1f s ASN 1110Ca 0.04 -3.62 -0.22 0.00 0.21 0.00 0.00 52.86 49.27 3k1f s ASN 1110Cb 0.07 -2.01 -0.06 0.00 -0.55 0.00 0.00 41.25 38.70 3k1f s ASN 1110CO 0.74 -0.24 0.65 0.00 -2.79 0.00 0.00 177.10 175.46 3k1f s MET 1111N -1.23 4.36 0.13 0.43 0.23 -1.26 -5.00 119.30 116.96 3k1f s MET 1111Ca 0.28 0.86 -0.28 0.00 -1.03 0.00 0.00 55.69 55.52 3k1f s MET 1111Cb -0.09 -3.31 -0.04 0.00 -1.53 0.00 0.00 34.83 29.86 3k1f s MET 1111CO -0.11 0.45 1.60 0.87 -2.03 0.00 0.00 175.02 175.80 3k1f h LYS 1112N 5.19 -0.45 -3.19 3.16 1.57 -1.97 -3.34 116.57 117.54 3k1f h LYS 1112Ca -0.46 0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 57.70 3k1f h LYS 1112Cb 1.21 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 33.22 3k1f h LYS 1112CO 0.68 -0.30 -0.41 0.95 -0.57 0.00 0.00 179.45 179.80 3k1f s THR 1113N -5.96 3.39 -0.39 -0.16 -4.23 -1.26 -5.04 115.64 101.99 3k1f s THR 1113Ca -0.15 -4.06 -0.29 0.00 -1.18 0.00 0.00 61.69 56.00 3k1f s THR 1113Cb 0.10 -3.18 0.02 0.00 1.34 0.00 0.00 72.50 70.78 3k1f s THR 1113CO 0.65 -1.02 1.15 -2.16 -0.54 0.00 0.00 174.62 172.70 3k1f s PRO 1114N -1.32 3.88 0.05 3.99 0.05 -1.26 -4.86 135.00 135.53 3k1f s PRO 1114Ca 0.25 0.88 0.08 0.00 0.05 0.00 0.00 61.00 62.26 3k1f s PRO 1114Cb -0.07 -3.84 -0.03 0.00 0.05 0.00 0.00 34.50 30.61 3k1f s PRO 1114CO -0.14 -1.17 -0.22 0.45 0.05 0.00 0.00 177.00 175.97 3k1f s SER 1115N 2.27 3.49 -0.01 6.66 0.15 -1.26 -0.43 113.70 124.57 3k1f s SER 1115Ca 0.49 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.62 3k1f s SER 1115Cb -0.11 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3k1f s SER 1115CO 0.24 0.25 -0.06 -0.22 1.20 0.00 0.00 173.24 174.65 3k1f s LEU 1116N -1.44 1.83 -0.18 3.45 2.96 -0.65 0.14 118.68 124.80 3k1f s LEU 1116Ca 0.13 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3k1f s LEU 1116Cb -0.10 -0.36 0.04 0.00 0.50 0.00 0.00 46.19 46.27 3k1f s LEU 1116CO 0.04 0.04 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.17 3k1f s THR 1117N 0.12 1.18 -0.18 3.68 2.01 0.47 -0.74 115.64 122.19 3k1f s THR 1117Ca -0.01 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3k1f s THR 1117Cb -0.06 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3k1f s THR 1117CO -0.00 0.10 0.09 0.68 -0.69 0.00 0.00 174.62 174.80 3k1f s VAL 1118N 1.60 5.08 0.25 3.82 -7.23 -0.54 -1.24 120.40 122.14 3k1f s VAL 1118Ca -0.00 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 3k1f s VAL 1118Cb -0.16 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 3k1f s VAL 1118CO -0.08 0.47 0.47 -0.31 -0.31 0.00 0.00 175.10 175.35 3k1f s TYR 1119N 0.17 3.48 0.84 2.82 1.51 -1.26 -1.31 117.35 123.59 3k1f s TYR 1119Ca 0.07 0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 56.48 3k1f s TYR 1119Cb -0.12 -1.96 0.10 0.00 -0.11 0.00 0.00 41.96 39.87 3k1f s TYR 1119CO -0.00 0.27 1.15 -0.48 -1.11 0.00 0.00 175.55 175.38 3k1f s LEU 1120N -3.49 3.01 0.21 -1.29 0.05 -1.26 -0.97 118.68 114.94 3k1f s LEU 1120Ca 0.41 2.16 -0.25 0.00 0.05 0.00 0.00 54.13 56.50 3k1f s LEU 1120Cb -0.11 -4.56 -0.08 0.00 -2.05 0.00 0.00 46.19 39.38 3k1f s LEU 1120CO 0.30 -2.66 0.81 -0.70 -0.55 0.00 0.00 176.35 173.55 3k1f s GLU 1121N -4.51 4.54 0.30 1.48 2.56 -1.20 -2.57 118.70 119.30 3k1f s GLU 1121Ca 0.67 1.16 0.05 0.00 0.00 0.00 0.00 54.97 56.86 3k1f s GLU 1121Cb -0.23 -3.11 0.79 0.00 2.00 0.00 0.00 34.13 33.58 3k1f s GLU 1121CO 0.54 0.48 1.67 -1.00 -0.56 0.00 0.00 175.26 176.39 3k1f h PRO 1122N 3.93 0.29 0.00 4.30 0.13 -1.93 0.88 132.00 139.59 3k1f h PRO 1122Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3k1f h PRO 1122Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3k1f h PRO 1122CO 0.66 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 3k1f n GLY 1123N -1.35 -0.96 2.54 1.56 0.00 -1.26 -2.64 105.19 103.09 3k1f n GLY 1123Ca 0.24 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3k1f n GLY 1123CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k1f n HIS 1124N -1.72 3.41 -0.30 1.61 8.25 0.30 -4.95 115.22 121.82 3k1f n HIS 1124Ca 0.02 -3.23 -0.07 0.00 -0.26 0.00 0.00 57.72 54.19 3k1f n HIS 1124Cb 0.14 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3k1f n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1f h ALA 1125N 2.65 -0.23 -0.32 -1.41 0.00 -1.54 -3.32 119.26 115.08 3k1f h ALA 1125Ca 0.26 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 3k1f h ALA 1125Cb 0.87 1.07 -0.30 0.00 0.00 0.00 0.00 17.79 19.43 3k1f h ALA 1125CO 0.83 -0.80 -0.79 0.00 0.00 0.00 0.00 179.25 178.49 3k1f n ALA 1126N -3.27 2.68 -2.46 0.00 0.00 -1.26 -2.76 120.51 113.44 3k1f n ALA 1126Ca 0.04 -2.11 -0.43 0.00 0.00 0.00 0.00 53.44 50.94 3k1f n ALA 1126Cb 0.34 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 3k1f n ALA 1126CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k1f s ASP 1127N -2.67 6.63 0.11 0.00 -1.08 -1.25 -4.78 116.67 113.63 3k1f s ASP 1127Ca 0.21 1.01 -0.30 0.00 -0.52 0.00 0.00 52.55 52.95 3k1f s ASP 1127Cb 0.38 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 39.20 3k1f s ASP 1127CO -0.06 -1.15 1.60 -0.61 0.52 0.00 0.00 175.17 175.47 3k1f h GLN 1128N 9.41 -0.61 0.00 4.34 5.75 -1.99 -0.64 115.11 131.36 3k1f h GLN 1128Ca -0.25 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 3k1f h GLN 1128Cb 1.09 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 3k1f h GLN 1128CO 1.06 -0.41 -0.16 0.93 -2.65 0.00 0.00 178.83 177.60 3k1f h GLU 1129N -0.64 0.00 -0.08 1.69 4.39 -1.99 -2.77 114.58 115.18 3k1f h GLU 1129Ca 0.02 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.49 3k1f h GLU 1129Cb 0.65 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3k1f h GLU 1129CO -0.20 0.16 -0.88 0.37 -1.16 0.00 0.00 179.01 177.30 3k1f h GLN 1130N 0.00 0.67 -0.45 2.33 5.75 -1.93 -0.62 115.11 120.87 3k1f h GLN 1130Ca -0.00 -0.62 0.02 0.00 -0.15 0.00 0.00 58.65 57.90 3k1f h GLN 1130Cb 0.76 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 3k1f h GLN 1130CO 0.02 1.22 0.26 0.00 -2.65 0.00 0.00 178.83 177.69 3k1f h ALA 1131N 0.58 0.57 -0.49 3.38 0.00 -0.93 -1.40 119.26 120.97 3k1f h ALA 1131Ca -0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3k1f h ALA 1131Cb 1.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3k1f h ALA 1131CO 0.17 -0.05 -0.03 0.87 0.00 0.00 0.00 179.25 180.21 3k1f h LYS 1132N 0.53 0.83 -0.74 0.00 1.57 -1.49 -1.04 116.57 116.24 3k1f h LYS 1132Ca 0.18 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3k1f h LYS 1132Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3k1f h LYS 1132CO -0.08 0.85 0.49 1.25 -0.57 0.00 0.00 179.45 181.38 3k1f h LEU 1133N 0.77 0.78 -0.01 2.94 6.46 -0.18 -0.95 115.31 125.12 3k1f h LEU 1133Ca 0.14 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 3k1f h LEU 1133Cb 0.50 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3k1f h LEU 1133CO 0.03 0.55 -0.51 0.40 -0.62 0.00 0.00 178.44 178.28 3k1f h ILE 1134N 0.91 1.45 -0.32 4.05 2.04 -0.98 -3.15 117.51 121.53 3k1f h ILE 1134Ca 0.29 -2.03 0.04 0.00 1.00 0.00 0.00 64.86 64.16 3k1f h ILE 1134Cb 0.02 2.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 3k1f h ILE 1134CO -0.08 0.58 -0.53 -0.09 0.00 0.00 0.00 178.15 178.03 3k1f h ARG 1135N -0.19 -0.42 0.00 2.37 2.43 -0.34 -0.44 114.38 117.79 3k1f h ARG 1135Ca -0.06 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k1f h ARG 1135Cb 1.23 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3k1f h ARG 1135CO 0.10 -0.28 0.00 0.43 -1.51 0.00 0.00 179.97 178.71 3k1f n SER 1136N -5.27 0.44 0.06 -3.80 7.64 -0.44 -1.32 113.62 110.94 3k1f n SER 1136Ca -0.04 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.57 3k1f n SER 1136Cb 0.34 -0.71 0.04 0.00 -1.01 0.00 0.00 64.21 62.86 3k1f n SER 1136CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1f n ALA 1137N -1.69 2.89 -0.06 -0.43 0.00 -0.28 -4.07 120.51 116.87 3k1f n ALA 1137Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 3k1f n ALA 1137Cb 0.19 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 3k1f n ALA 1137CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3k1f n ILE 1138N -2.31 0.75 -1.51 0.00 -5.35 -0.59 -3.54 119.36 106.80 3k1f n ILE 1138Ca 0.01 -0.34 -0.48 0.00 -0.27 0.00 0.00 62.75 61.68 3k1f n ILE 1138Cb 0.49 -0.89 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 3k1f n ILE 1138CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3k1f n GLU 1139N -2.73 1.46 -1.59 6.28 2.13 -0.44 -1.01 120.64 124.75 3k1f n GLU 1139Ca -0.21 0.41 -0.35 0.00 0.66 0.00 0.00 57.16 57.66 3k1f n GLU 1139Cb 0.78 -2.77 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 3k1f n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3k1f s HIS 1140N 7.55 1.11 -0.14 4.31 5.65 0.15 -3.70 115.29 130.22 3k1f s HIS 1140Ca 1.05 1.55 -0.07 0.00 0.25 0.00 0.00 55.06 57.85 3k1f s HIS 1140Cb -0.65 -3.60 -0.04 0.00 -1.18 0.00 0.00 32.58 27.11 3k1f s HIS 1140CO 0.44 -2.47 0.10 0.99 -0.65 0.00 0.00 174.74 173.15 3k1f s THR 1141N 12.18 5.18 0.35 0.89 2.01 -0.04 -4.90 115.64 131.31 3k1f s THR 1141Ca 0.96 0.09 0.04 0.00 0.31 0.00 0.00 61.69 63.09 3k1f s THR 1141Cb -0.17 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 3k1f s THR 1141CO 0.25 0.56 0.06 0.42 -0.69 0.00 0.00 174.62 175.23 3k1f s THR 1142N -0.56 1.14 -0.04 -0.82 -4.23 -1.26 -1.05 115.64 108.83 3k1f s THR 1142Ca 0.12 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 3k1f s THR 1142Cb -0.12 -2.71 -0.21 0.00 1.34 0.00 0.00 72.50 70.80 3k1f s THR 1142CO 0.02 0.00 1.19 0.25 -0.54 0.00 0.00 174.62 175.54 3k1f h LEU 1143N 2.01 0.02 -1.19 4.79 5.85 -1.71 -3.27 115.31 121.81 3k1f h LEU 1143Ca -0.40 -0.57 0.25 0.00 0.84 0.00 0.00 57.88 57.99 3k1f h LEU 1143Cb 1.25 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 3k1f h LEU 1143CO 0.69 0.59 0.63 0.50 -0.34 0.00 0.00 178.44 180.51 3k1f h LYS 1144N -0.54 0.50 -0.10 1.25 3.64 -1.82 -1.13 116.57 118.36 3k1f h LYS 1144Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3k1f h LYS 1144Cb 0.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3k1f h LYS 1144CO 0.00 0.33 -0.14 0.66 -2.27 0.00 0.00 179.45 178.03 3k1f h SER 1145N 0.52 0.15 0.12 4.20 4.64 -1.89 -3.20 113.55 118.09 3k1f h SER 1145Ca 0.61 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3k1f h SER 1145Cb 1.31 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k1f h SER 1145CO -0.37 0.32 -1.88 1.33 -0.87 0.00 0.00 176.83 175.35 3k1f n VAL 1146N -4.29 0.10 -2.65 0.95 0.24 -0.47 -4.99 118.33 107.22 3k1f n VAL 1146Ca -0.01 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 3k1f n VAL 1146Cb 0.26 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 3k1f n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3k1f s THR 1147N -3.49 4.60 0.00 3.34 2.01 -0.94 -1.22 115.64 119.94 3k1f s THR 1147Ca -0.07 1.92 0.00 0.00 0.31 0.00 0.00 61.69 63.85 3k1f s THR 1147Cb 0.13 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3k1f s THR 1147CO 0.89 0.18 0.00 -0.38 -0.69 0.00 0.00 174.62 174.62 3k1f n ILE 1148N 3.67 0.00 -4.37 1.82 5.41 0.19 -4.92 119.36 121.16 3k1f n ILE 1148Ca 0.06 0.45 -0.26 0.00 1.00 0.00 0.00 62.75 64.00 3k1f n ILE 1148Cb 0.50 -1.41 -0.12 0.00 -0.71 0.00 0.00 39.64 37.90 3k1f n ILE 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f s ALA 1149N -3.13 2.24 -0.11 -1.39 0.00 -1.21 -5.00 121.76 113.15 3k1f s ALA 1149Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.49 3k1f s ALA 1149Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3k1f s ALA 1149CO 0.00 0.41 -0.15 -1.54 0.00 0.00 0.00 175.76 174.47 3k1f s SER 1150N -2.35 2.44 0.19 0.00 1.04 -1.26 -1.30 113.70 112.45 3k1f s SER 1150Ca 0.15 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.22 3k1f s SER 1150Cb -0.08 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 64.90 3k1f s SER 1150CO 0.07 0.02 -0.14 -1.61 0.98 0.00 0.00 173.24 172.56 3k1f s GLU 1151N 0.97 1.26 -0.20 4.02 2.02 0.09 -4.98 118.70 121.87 3k1f s GLU 1151Ca -0.07 -1.52 -0.02 0.00 0.02 0.00 0.00 54.97 53.38 3k1f s GLU 1151Cb -0.15 -1.04 0.06 0.00 0.10 0.00 0.00 34.13 33.09 3k1f s GLU 1151CO -0.01 0.17 0.00 0.42 0.02 0.00 0.00 175.26 175.87 3k1f s ILE 1152N -2.88 0.82 0.37 -1.63 1.01 -1.26 -0.67 121.20 116.97 3k1f s ILE 1152Ca 0.20 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3k1f s ILE 1152Cb -0.01 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 3k1f s ILE 1152CO 0.06 -0.14 0.12 -0.31 0.00 0.00 0.00 174.94 174.67 3k1f s TYR 1153N 1.72 2.61 -0.39 3.97 1.51 -0.34 -5.00 117.35 121.44 3k1f s TYR 1153Ca -0.02 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.51 3k1f s TYR 1153Cb -0.17 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 40.03 3k1f s TYR 1153CO -0.07 0.31 0.17 -0.47 -1.11 0.00 0.00 175.55 174.38 3k1f s TYR 1154N -2.54 3.50 -0.53 2.71 5.04 -1.26 -0.77 117.35 123.51 3k1f s TYR 1154Ca 0.38 -2.22 0.04 0.00 -2.44 0.00 0.00 57.07 52.83 3k1f s TYR 1154Cb 0.01 -2.98 0.16 0.00 0.35 0.00 0.00 41.96 39.50 3k1f s TYR 1154CO 0.22 -0.93 0.36 0.34 -1.34 0.00 0.00 175.55 174.20 3k1f s ASP 1155N 1.73 3.55 0.57 4.32 -1.08 -0.59 -4.93 116.67 120.25 3k1f s ASP 1155Ca 0.05 -3.20 0.36 0.00 -0.52 0.00 0.00 52.55 49.24 3k1f s ASP 1155Cb -0.22 -1.13 1.59 0.00 -1.46 0.00 0.00 42.92 41.70 3k1f s ASP 1155CO -0.03 -0.17 2.06 1.55 0.52 0.00 0.00 175.17 179.10 3k1f h PRO 1156N 5.96 0.00 -4.68 4.34 0.13 -1.89 -3.41 132.00 132.45 3k1f h PRO 1156Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3k1f h PRO 1156Cb 0.86 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.75 3k1f h PRO 1156CO 0.55 0.00 -0.54 0.34 -0.23 0.00 0.00 178.00 178.12 3k1f s ASP 1157N -5.56 5.59 0.25 1.44 2.15 -1.26 -4.72 116.67 114.55 3k1f s ASP 1157Ca -0.00 -0.82 0.11 0.00 0.43 0.00 0.00 52.55 52.27 3k1f s ASP 1157Cb 0.10 -1.99 0.25 0.00 -0.30 0.00 0.00 42.92 40.98 3k1f s ASP 1157CO 0.51 -0.30 1.54 -0.65 -0.17 0.00 0.00 175.17 176.11 3k1f h PRO 1158N 8.37 0.00 0.00 4.34 0.11 -1.93 -3.24 132.00 139.65 3k1f h PRO 1158Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3k1f h PRO 1158Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3k1f h PRO 1158CO 0.64 0.66 -0.04 0.00 -0.21 0.00 0.00 178.00 179.05 3k1f h ARG 1159N 0.00 0.00 -3.08 1.05 -0.00 -1.97 -3.40 114.38 106.98 3k1f h ARG 1159Ca -0.01 0.00 -0.39 0.00 -0.50 0.00 0.00 59.98 59.08 3k1f h ARG 1159Cb 1.24 0.00 -0.39 0.00 0.00 0.00 0.00 29.97 30.82 3k1f h ARG 1159CO 0.09 0.04 -0.72 -1.54 0.00 0.00 0.00 179.97 177.84 3k1f s SER 1160N -6.29 1.64 0.28 7.04 1.04 -1.22 -4.98 113.70 111.20 3k1f s SER 1160Ca -0.04 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 3k1f s SER 1160Cb 0.15 -0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.11 3k1f s SER 1160CO 0.58 -0.30 0.96 -0.89 0.98 0.00 0.00 173.24 174.56 3k1f s THR 1161N 2.19 4.06 -0.05 2.02 2.01 -1.26 -4.64 115.64 119.97 3k1f s THR 1161Ca 0.04 1.93 0.31 0.00 0.31 0.00 0.00 61.69 64.28 3k1f s THR 1161Cb -0.14 -4.17 0.37 0.00 0.01 0.00 0.00 72.50 68.57 3k1f s THR 1161CO -0.07 0.35 1.90 0.58 -0.69 0.00 0.00 174.62 176.69 3k1f h VAL 1162N 2.93 0.00 -3.37 3.82 2.07 -1.91 -3.44 116.25 116.35 3k1f h VAL 1162Ca -0.46 -0.56 -0.54 0.00 0.82 0.00 0.00 66.70 65.97 3k1f h VAL 1162Cb 1.20 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3k1f h VAL 1162CO 0.67 0.00 0.42 -0.63 0.02 0.00 0.00 177.57 178.05 3k1f s ILE 1163N -3.56 4.60 0.01 4.57 1.01 -1.26 -5.01 121.20 121.56 3k1f s ILE 1163Ca 0.02 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.32 3k1f s ILE 1163Cb 0.08 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 3k1f s ILE 1163CO 0.55 0.16 1.35 1.55 0.00 0.00 0.00 174.94 178.55 3k1f h PRO 1164N 6.65 -0.17 -0.07 2.79 0.13 -2.04 -3.28 132.00 136.02 3k1f h PRO 1164Ca -0.41 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 3k1f h PRO 1164Cb 1.22 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3k1f h PRO 1164CO 0.76 0.15 -0.25 1.05 -0.23 0.00 0.00 178.00 179.48 3k1f h GLU 1165N -0.51 0.12 0.00 0.86 9.09 -1.97 -3.04 114.58 119.12 3k1f h GLU 1165Ca -0.02 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.35 3k1f h GLU 1165Cb 0.40 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3k1f h GLU 1165CO 0.03 0.37 -0.02 -0.44 0.05 0.00 0.00 179.01 179.00 3k1f h ASP 1166N 0.11 0.00 -0.77 3.06 5.19 -1.96 -3.05 116.42 119.00 3k1f h ASP 1166Ca 0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 3k1f h ASP 1166Cb 0.51 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 3k1f h ASP 1166CO 0.04 0.02 0.41 -0.33 -3.12 0.00 0.00 179.24 176.25 3k1f h GLU 1167N 0.00 1.10 -0.41 3.56 4.39 -1.59 -1.04 114.58 120.58 3k1f h GLU 1167Ca -0.00 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 3k1f h GLU 1167Cb 0.35 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3k1f h GLU 1167CO 0.00 0.82 -0.06 1.49 -1.16 0.00 0.00 179.01 180.10 3k1f h GLU 1168N 1.10 0.70 0.00 2.33 4.57 -1.74 -3.13 114.58 118.41 3k1f h GLU 1168Ca 0.27 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3k1f h GLU 1168Cb 0.06 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3k1f h GLU 1168CO -0.04 0.76 -0.12 0.82 -1.18 0.00 0.00 179.01 179.25 3k1f h ILE 1169N 0.65 1.62 -0.46 2.32 5.03 -1.57 -3.37 117.51 121.73 3k1f h ILE 1169Ca 0.12 -1.98 0.07 0.00 -0.12 0.00 0.00 64.86 62.95 3k1f h ILE 1169Cb 0.50 2.93 -0.06 0.00 -3.03 0.00 0.00 36.82 37.16 3k1f h ILE 1169CO 0.03 0.53 0.12 0.16 -0.68 0.00 0.00 178.15 178.30 3k1f h ILE 1170N -0.70 0.79 -0.75 -0.67 3.07 -1.25 -2.94 117.51 115.06 3k1f h ILE 1170Ca -0.02 -0.09 0.12 0.00 1.55 0.00 0.00 64.86 66.43 3k1f h ILE 1170Cb 0.92 0.50 -0.05 0.00 -0.27 0.00 0.00 36.82 37.93 3k1f h ILE 1170CO 0.02 0.05 0.50 0.06 -1.05 0.00 0.00 178.15 177.73 3k1f h GLN 1171N 0.27 0.52 -0.07 0.16 -0.00 -1.72 -2.62 115.11 111.65 3k1f h GLN 1171Ca 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 3k1f h GLN 1171Cb 0.26 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.48 27.62 3k1f h GLN 1171CO -0.26 0.35 -0.03 -0.07 -0.00 0.00 0.00 178.83 178.81 3k1f h LEU 1172N 0.54 0.15 -0.55 0.06 3.38 -1.68 -3.14 115.31 114.07 3k1f h LEU 1172Ca 0.36 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k1f h LEU 1172Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3k1f h LEU 1172CO -0.13 0.53 0.00 1.41 0.09 0.00 0.00 178.44 180.34 3k1f n HIS 1173N -4.78 0.00 -0.00 1.13 8.25 -0.99 -2.05 115.22 116.78 3k1f n HIS 1173Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3k1f n HIS 1173Cb 0.25 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 3k1f n HIS 1173CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3k1f n PHE 1174N -0.10 0.00 0.00 4.41 0.99 -1.20 -5.09 117.46 116.46 3k1f n PHE 1174Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3k1f n PHE 1174Cb 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 3k1f n PHE 1174CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3k1f n SER 1175N -2.21 0.00 0.00 4.37 7.64 -0.87 -5.15 113.62 117.40 3k1f n SER 1175Ca -0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3k1f n SER 1175Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3k1f n SER 1175CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1f n GLN 1187N 1.09 0.00 0.00 1.43 -0.00 -1.26 -5.07 117.38 113.57 3k1f n GLN 1187Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3k1f n GLN 1187Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 30.24 29.61 3k1f n GLN 1187CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3k1f n GLN 1188N -2.00 0.00 -3.60 2.61 6.02 -1.26 -4.44 117.38 114.71 3k1f n GLN 1188Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3k1f n GLN 1188Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 3k1f n GLN 1188CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k1f s SER 1189N -0.60 -0.70 0.19 1.08 0.15 -1.25 -3.91 113.70 108.65 3k1f s SER 1189Ca 0.00 1.18 0.08 0.00 0.70 0.00 0.00 55.95 57.91 3k1f s SER 1189Cb 0.00 1.14 0.05 0.00 -1.71 0.00 0.00 66.02 65.49 3k1f s SER 1189CO 0.00 -0.36 1.43 1.55 1.20 0.00 0.00 173.24 177.05 3k1f h PRO 1190N 4.36 0.01 -6.29 5.44 0.13 -1.85 -3.45 132.00 130.36 3k1f h PRO 1190Ca -0.28 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 3k1f h PRO 1190Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3k1f h PRO 1190CO 0.17 0.83 1.10 -1.58 -0.23 0.00 0.00 178.00 178.29 3k1f s TRP 1191N -3.12 2.19 0.02 1.56 0.23 -1.26 -1.53 118.94 117.02 3k1f s TRP 1191Ca -0.00 0.58 -0.06 0.00 -2.03 0.00 0.00 56.10 54.59 3k1f s TRP 1191Cb 0.11 -3.96 -0.05 0.00 0.03 0.00 0.00 33.47 29.61 3k1f s TRP 1191CO 0.80 -2.80 0.28 -1.17 0.96 0.00 0.00 176.95 175.01 3k1f s LEU 1192N 5.01 4.36 -0.10 2.99 2.96 0.05 -4.67 118.68 129.28 3k1f s LEU 1192Ca 0.69 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3k1f s LEU 1192Cb -0.24 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.72 3k1f s LEU 1192CO 0.28 0.23 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.20 3k1f s LEU 1193N -1.88 1.52 0.01 -0.68 2.96 -0.32 -1.20 118.68 119.09 3k1f s LEU 1193Ca 0.29 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3k1f s LEU 1193Cb -0.13 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3k1f s LEU 1193CO 0.18 -0.03 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.48 3k1f s ARG 1194N 1.21 2.45 -0.00 1.98 3.52 0.16 -0.73 118.95 127.53 3k1f s ARG 1194Ca -0.03 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3k1f s ARG 1194Cb -0.14 -2.43 -0.00 0.00 -1.56 0.00 0.00 34.95 30.81 3k1f s ARG 1194CO -0.04 0.59 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.50 3k1f s LEU 1195N -1.44 2.01 -0.09 -0.88 1.02 -0.56 -0.74 118.68 118.01 3k1f s LEU 1195Ca 0.17 -0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 3k1f s LEU 1195Cb -0.11 -0.14 0.03 0.00 0.02 0.00 0.00 46.19 45.99 3k1f s LEU 1195CO 0.07 0.03 -0.03 -0.70 0.02 0.00 0.00 176.35 175.75 3k1f s GLU 1196N -0.07 0.95 -0.02 1.70 -6.30 -0.42 -1.01 118.70 113.52 3k1f s GLU 1196Ca 0.01 -0.03 -0.06 0.00 -2.50 0.00 0.00 54.97 52.39 3k1f s GLU 1196Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 34.13 32.88 3k1f s GLU 1196CO -0.00 -0.29 0.23 -0.51 0.02 0.00 0.00 175.26 174.71 3k1f s LEU 1197N 1.87 4.38 0.06 2.70 1.43 -1.07 -0.64 118.68 127.41 3k1f s LEU 1197Ca 0.05 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 3k1f s LEU 1197Cb -0.12 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3k1f s LEU 1197CO -0.06 0.29 1.16 -0.62 0.23 0.00 0.00 176.35 177.35 3k1f s ASP 1198N -1.59 7.13 0.24 2.29 2.15 -0.36 -4.47 116.67 122.07 3k1f s ASP 1198Ca 0.25 1.97 -0.04 0.00 0.43 0.00 0.00 52.55 55.15 3k1f s ASP 1198Cb -0.13 -2.58 0.40 0.00 -0.30 0.00 0.00 42.92 40.31 3k1f s ASP 1198CO 0.14 -0.43 1.81 0.03 -0.17 0.00 0.00 175.17 176.55 3k1f h ARG 1199N 6.72 0.77 -0.03 4.34 3.08 -1.98 -2.72 114.38 124.56 3k1f h ARG 1199Ca -0.42 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3k1f h ARG 1199Cb 1.21 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3k1f h ARG 1199CO 0.80 0.51 -0.01 0.00 -1.07 0.00 0.00 179.97 180.19 3k1f h ALA 1200N 1.46 0.04 -0.26 0.04 0.00 -1.98 -3.24 119.26 115.31 3k1f h ALA 1200Ca 0.40 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3k1f h ALA 1200Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k1f h ALA 1200CO -0.25 -0.24 0.34 0.00 0.00 0.00 0.00 179.25 179.10 3k1f h ALA 1201N 0.60 1.87 0.00 0.00 0.00 -1.84 -1.32 119.26 118.57 3k1f h ALA 1201Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1f h ALA 1201Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3k1f h ALA 1201CO 0.00 -0.47 0.00 -1.33 0.00 0.00 0.00 179.25 177.45 3k1f n MET 1202N -3.61 0.29 -0.02 0.00 2.00 -1.07 -3.81 117.12 110.89 3k1f n MET 1202Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 57.70 57.87 3k1f n MET 1202Cb 0.47 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 32.26 3k1f n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3k1f n ASN 1203N -1.32 2.19 -0.04 7.83 3.02 -0.50 -1.10 115.26 125.34 3k1f n ASN 1203Ca 0.10 -1.59 -0.03 0.00 -0.03 0.00 0.00 54.58 53.03 3k1f n ASN 1203Cb 0.20 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3k1f n ASN 1203CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3k1f h ASP 1204N 2.55 -0.02 -3.38 6.41 -0.00 -1.74 -3.38 116.42 116.87 3k1f h ASP 1204Ca 0.00 -0.21 -0.70 0.00 -0.00 0.00 0.00 57.03 56.12 3k1f h ASP 1204Cb 0.57 0.00 -0.35 0.00 -0.00 0.00 0.00 39.33 39.55 3k1f h ASP 1204CO 0.00 0.58 -0.11 -0.54 -0.00 0.00 0.00 179.24 179.17 3k1f s LYS 1205N -1.78 3.24 -0.59 0.28 3.01 -1.26 -5.00 119.74 117.64 3k1f s LYS 1205Ca -0.04 -3.24 -0.05 0.00 -1.01 0.00 0.00 55.97 51.62 3k1f s LYS 1205Cb -0.01 -3.94 -0.20 0.00 -1.01 0.00 0.00 37.83 32.67 3k1f s LYS 1205CO 0.16 -1.26 1.29 -0.25 0.51 0.00 0.00 175.35 175.80 3k1f n ASP 1206N 2.39 -0.92 -4.61 2.83 8.00 -1.25 -4.90 116.55 118.08 3k1f n ASP 1206Ca 0.21 -0.36 -0.26 0.00 0.71 0.00 0.00 54.79 55.09 3k1f n ASP 1206Cb 0.37 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 3k1f n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3k1f s LEU 1207N 0.00 3.12 0.12 0.64 1.43 -0.26 -5.03 118.68 118.71 3k1f s LEU 1207Ca 0.78 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3k1f s LEU 1207Cb -0.50 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3k1f s LEU 1207CO 0.34 0.09 -0.16 0.42 0.23 0.00 0.00 176.35 177.27 3k1f s THR 1208N -1.75 1.42 0.42 5.49 -4.23 -1.26 -4.80 115.64 110.94 3k1f s THR 1208Ca 0.26 -1.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 3k1f s THR 1208Cb -0.09 -1.53 0.30 0.00 1.34 0.00 0.00 72.50 72.53 3k1f s THR 1208CO 0.17 -0.33 2.01 0.24 -0.54 0.00 0.00 174.62 176.16 3k1f h MET 1209N 3.64 0.47 0.04 3.99 2.86 -1.96 -0.23 114.93 123.74 3k1f h MET 1209Ca -0.41 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3k1f h MET 1209Cb 1.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3k1f h MET 1209CO 0.48 0.31 -0.02 0.78 1.06 0.00 0.00 176.91 179.52 3k1f h GLY 1210N 0.49 -0.05 0.98 8.32 0.00 -1.97 -1.50 103.07 109.33 3k1f h GLY 1210Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3k1f h GLY 1210CO -0.06 -0.02 -0.06 -1.61 0.00 0.00 0.00 176.54 174.79 3k1f h GLN 1211N -0.19 -0.16 -0.04 4.80 4.15 -1.74 -0.42 115.11 121.51 3k1f h GLN 1211Ca -0.01 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3k1f h GLN 1211Cb 0.17 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3k1f h GLN 1211CO 0.01 -0.09 -0.08 0.28 -1.93 0.00 0.00 178.83 177.02 3k1f h VAL 1212N -0.19 0.77 -0.72 2.39 2.07 -1.10 -0.81 116.25 118.66 3k1f h VAL 1212Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3k1f h VAL 1212Cb 0.14 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3k1f h VAL 1212CO 0.03 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.32 3k1f h GLY 1213N -0.13 0.98 0.90 2.17 0.00 -1.18 -0.83 103.07 104.99 3k1f h GLY 1213Ca 0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3k1f h GLY 1213CO -0.12 0.28 -0.02 0.83 0.00 0.00 0.00 176.54 177.51 3k1f h GLU 1214N 0.85 0.58 -0.87 4.80 4.39 -0.54 -0.68 114.58 123.10 3k1f h GLU 1214Ca 0.29 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3k1f h GLU 1214Cb 0.10 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3k1f h GLU 1214CO -0.09 0.73 0.52 0.00 -1.16 0.00 0.00 179.01 179.02 3k1f h ARG 1215N 0.37 1.19 0.31 2.33 2.47 -0.37 -0.52 114.38 120.16 3k1f h ARG 1215Ca 0.09 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3k1f h ARG 1215Cb 0.48 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3k1f h ARG 1215CO 0.02 0.84 -0.15 0.82 0.56 0.00 0.00 179.97 182.06 3k1f h ILE 1216N 1.20 0.71 -0.63 2.04 2.04 -0.98 -0.81 117.51 121.08 3k1f h ILE 1216Ca 0.31 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3k1f h ILE 1216Cb -0.04 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3k1f h ILE 1216CO -0.06 0.02 0.35 0.50 0.00 0.00 0.00 178.15 178.96 3k1f h LYS 1217N -0.46 0.86 -0.02 2.37 1.63 -0.88 -0.17 116.57 119.90 3k1f h LYS 1217Ca -0.04 -0.09 -0.19 0.00 -0.85 0.00 0.00 60.65 59.48 3k1f h LYS 1217Cb 0.35 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3k1f h LYS 1217CO 0.07 0.63 -0.82 -0.56 -3.45 0.00 0.00 179.45 175.32 3k1f h GLN 1218N 0.87 0.24 -0.03 1.90 -0.00 -0.99 -0.44 115.11 116.66 3k1f h GLN 1218Ca 0.22 -0.24 -0.19 0.00 -0.00 0.00 0.00 58.65 58.45 3k1f h GLN 1218Cb 0.01 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 3k1f h GLN 1218CO -0.04 0.93 -0.79 1.15 -0.00 0.00 0.00 178.83 180.09 3k1f h THR 1219N 0.15 1.43 0.00 1.86 2.02 -0.69 -3.34 112.91 114.35 3k1f h THR 1219Ca -0.04 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.77 3k1f h THR 1219Cb 1.42 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3k1f h THR 1219CO 0.13 0.69 -1.79 0.49 0.37 0.00 0.00 175.52 175.41 3k1f n PHE 1220N -3.76 0.23 -4.78 3.16 3.01 -0.12 -5.09 117.46 110.12 3k1f n PHE 1220Ca -0.04 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3k1f n PHE 1220Cb 0.74 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 3k1f n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3k1f n LYS 1221N -2.39 0.00 -3.10 -1.08 4.01 -0.18 -4.20 118.16 111.22 3k1f n LYS 1221Ca -0.05 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.31 3k1f n LYS 1221Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.13 3k1f n LYS 1221CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3k1f n ASN 1222N -2.18 5.75 0.00 4.39 4.13 -1.26 -4.16 115.26 121.92 3k1f n ASN 1222Ca 0.00 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.10 3k1f n ASN 1222Cb 0.00 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 36.86 3k1f n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3k1f n ASP 1223N 2.70 0.00 -3.71 6.41 5.75 -1.26 -5.06 116.55 121.37 3k1f n ASP 1223Ca 0.28 -1.00 -0.14 0.00 -0.01 0.00 0.00 54.79 53.92 3k1f n ASP 1223Cb 0.37 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.32 3k1f n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3k1f s LEU 1224N 0.00 0.33 -0.30 -2.12 2.96 -1.26 -2.76 118.68 115.54 3k1f s LEU 1224Ca 0.00 0.42 -0.23 0.00 -0.22 0.00 0.00 54.13 54.10 3k1f s LEU 1224Cb 0.00 0.52 -0.00 0.00 0.50 0.00 0.00 46.19 47.20 3k1f s LEU 1224CO 0.00 -0.18 0.77 0.12 -1.32 0.00 0.00 176.35 175.73 3k1f s PHE 1225N 1.58 3.22 -0.07 5.38 5.36 -1.26 -4.83 117.98 127.36 3k1f s PHE 1225Ca -0.06 0.82 0.04 0.00 -0.96 0.00 0.00 56.93 56.77 3k1f s PHE 1225Cb -0.11 -3.16 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 3k1f s PHE 1225CO -0.07 -0.53 -0.18 0.08 -1.46 0.00 0.00 175.22 173.06 3k1f s VAL 1226N 2.89 2.70 0.01 3.12 1.01 -1.26 -0.79 120.40 128.08 3k1f s VAL 1226Ca 0.32 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3k1f s VAL 1226Cb -0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3k1f s VAL 1226CO 0.12 0.57 -0.10 -0.63 0.00 0.00 0.00 175.10 175.06 3k1f s ILE 1227N -0.29 0.77 -0.05 2.22 1.09 0.26 -5.02 121.20 120.18 3k1f s ILE 1227Ca 0.01 -0.59 -0.09 0.00 -1.10 0.00 0.00 60.65 58.89 3k1f s ILE 1227Cb -0.13 -0.68 0.02 0.00 -1.06 0.00 0.00 42.46 40.61 3k1f s ILE 1227CO 0.03 0.10 0.21 -1.66 -0.10 0.00 0.00 174.94 173.52 3k1f s TRP 1228N -0.47 -0.17 0.99 3.97 -2.14 -1.26 -1.01 118.94 118.84 3k1f s TRP 1228Ca 0.02 0.38 -0.12 0.00 2.66 0.00 0.00 56.10 59.04 3k1f s TRP 1228Cb -0.05 0.05 0.18 0.00 -3.10 0.00 0.00 33.47 30.55 3k1f s TRP 1228CO 0.00 -0.19 1.09 0.45 -2.66 0.00 0.00 176.95 175.63 3k1f s SER 1229N -0.42 2.69 0.28 -2.66 0.15 -0.00 -5.02 113.70 108.71 3k1f s SER 1229Ca -0.05 1.34 -0.14 0.00 0.70 0.00 0.00 55.95 57.80 3k1f s SER 1229Cb -0.03 -2.02 -0.08 0.00 -1.71 0.00 0.00 66.02 62.17 3k1f s SER 1229CO 0.01 -3.11 0.67 -0.70 1.20 0.00 0.00 173.24 171.31 3k1f s GLU 1230N -4.89 3.96 0.31 5.44 2.56 -1.26 -4.81 118.70 120.02 3k1f s GLU 1230Ca 0.65 0.57 0.02 0.00 0.00 0.00 0.00 54.97 56.21 3k1f s GLU 1230Cb -0.19 -2.55 0.58 0.00 2.00 0.00 0.00 34.13 33.97 3k1f s GLU 1230CO 0.58 0.24 1.91 -0.44 -0.56 0.00 0.00 175.26 176.99 3k1f h ASP 1231N 2.49 0.85 0.62 -1.70 3.32 -1.97 -3.00 116.42 117.03 3k1f h ASP 1231Ca -0.48 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3k1f h ASP 1231Cb 1.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3k1f h ASP 1231CO 0.66 0.54 -0.29 -1.13 -1.72 0.00 0.00 179.24 177.30 3k1f h ASN 1232N 0.96 0.00 -3.05 6.45 -0.73 -1.98 -3.47 115.58 113.75 3k1f h ASN 1232Ca 0.39 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 58.00 3k1f h ASN 1232Cb 0.26 0.00 0.19 0.00 0.27 0.00 0.00 38.32 39.04 3k1f h ASN 1232CO -0.15 0.29 -0.60 0.47 -0.37 0.00 0.00 177.43 177.07 3k1f n ASP 1233N -3.67 -1.91 0.15 1.15 8.00 -1.14 -4.93 116.55 114.20 3k1f n ASP 1233Ca -0.01 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.14 3k1f n ASP 1233Cb 0.40 -1.15 0.49 0.00 -0.02 0.00 0.00 41.12 40.85 3k1f n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3k1f h GLU 1234N -0.57 0.00 -2.98 -1.24 4.11 -1.91 -3.43 114.58 108.56 3k1f h GLU 1234Ca -0.45 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.77 3k1f h GLU 1234Cb 1.34 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.28 3k1f h GLU 1234CO 0.40 0.00 -0.52 0.21 0.07 0.00 0.00 179.01 179.17 3k1f s LYS 1235N -3.32 0.17 -1.02 1.06 2.20 -1.26 -5.08 119.74 112.48 3k1f s LYS 1235Ca 0.05 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 56.12 3k1f s LYS 1235Cb 0.10 -0.10 0.18 0.00 -1.51 0.00 0.00 37.83 36.50 3k1f s LYS 1235CO 0.47 -0.22 1.15 -0.51 -0.36 0.00 0.00 175.35 175.88 3k1f s LEU 1236N 1.73 5.59 -0.08 5.43 1.43 -1.26 -4.85 118.68 126.67 3k1f s LEU 1236Ca -0.05 -2.71 -0.11 0.00 -1.03 0.00 0.00 54.13 50.24 3k1f s LEU 1236Cb -0.11 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 3k1f s LEU 1236CO -0.08 -0.75 0.25 -0.63 0.23 0.00 0.00 176.35 175.37 3k1f s ILE 1237N 1.22 5.31 -0.29 -0.59 1.01 -1.26 -2.59 121.20 124.02 3k1f s ILE 1237Ca 0.33 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3k1f s ILE 1237Cb -0.06 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.96 3k1f s ILE 1237CO -0.06 0.58 0.01 -0.63 0.00 0.00 0.00 174.94 174.84 3k1f s ILE 1238N -0.86 1.67 -0.28 2.92 1.09 -0.18 -0.82 121.20 124.74 3k1f s ILE 1238Ca 0.18 -1.67 -0.21 0.00 -1.10 0.00 0.00 60.65 57.86 3k1f s ILE 1238Cb -0.14 -2.10 -0.01 0.00 -1.06 0.00 0.00 42.46 39.15 3k1f s ILE 1238CO 0.07 -0.40 0.65 -0.13 -0.10 0.00 0.00 174.94 175.03 3k1f s ARG 1239N 1.26 4.02 0.01 2.79 0.52 -0.18 -1.49 118.95 125.88 3k1f s ARG 1239Ca 0.03 0.47 0.09 0.00 -0.52 0.00 0.00 55.73 55.80 3k1f s ARG 1239Cb -0.19 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 3k1f s ARG 1239CO -0.11 -0.50 -0.26 0.00 0.02 0.00 0.00 175.30 174.45 3k1f n ARG 1241N 2.09 0.84 -0.01 0.00 0.63 0.03 -1.17 116.66 119.08 3k1f n ARG 1241Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3k1f n ARG 1241Cb 0.52 -0.96 0.00 0.00 0.45 0.00 0.00 32.46 32.47 3k1f n ARG 1241CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3k1f n VAL 1242N -2.29 -0.84 -4.39 5.15 0.31 -1.26 -4.70 118.33 110.31 3k1f n VAL 1242Ca 0.00 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.14 3k1f n VAL 1242Cb 0.46 -0.01 -0.10 0.00 -0.91 0.00 0.00 33.84 33.28 3k1f n VAL 1242CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3k1f s VAL 1243N -2.36 1.95 -0.32 2.52 -7.23 -1.11 -3.94 120.40 109.91 3k1f s VAL 1243Ca 0.00 -2.26 -0.44 0.00 -1.81 0.00 0.00 61.98 57.47 3k1f s VAL 1243Cb 0.00 -2.14 -0.19 0.00 0.56 0.00 0.00 36.38 34.61 3k1f s VAL 1243CO 0.00 -0.52 1.48 0.54 -0.31 0.00 0.00 175.10 176.28 3k1f n ARG 1244N -0.46 0.22 0.00 4.82 1.74 -1.25 -4.89 116.66 116.84 3k1f n ARG 1244Ca -0.07 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3k1f n ARG 1244Cb 0.60 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3k1f n ARG 1244CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k1f n ALA 1254N 3.50 -0.04 -2.60 7.54 0.00 -1.26 -5.20 120.51 122.46 3k1f n ALA 1254Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 3k1f n ALA 1254Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3k1f n ALA 1254CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k1f n GLU 1255N 0.00 -4.00 0.00 0.00 0.00 -1.26 -5.07 120.64 110.31 3k1f n GLU 1255Ca 0.00 3.09 0.00 0.00 0.00 0.00 0.00 57.16 60.25 3k1f n GLU 1255Cb 0.00 -5.07 0.00 0.00 0.00 0.00 0.00 31.44 26.37 3k1f n GLU 1255CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3k1f n GLU 1256N 1.23 0.00 -0.06 5.31 2.13 -1.26 -4.44 120.64 123.55 3k1f n GLU 1256Ca -0.24 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.71 3k1f n GLU 1256Cb 0.37 -0.82 0.53 0.00 0.27 0.00 0.00 31.44 31.78 3k1f n GLU 1256CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 3k1f h ASP 1257N 0.00 0.31 0.22 4.31 -0.00 -2.01 -1.54 116.42 117.71 3k1f h ASP 1257Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3k1f h ASP 1257Cb 0.84 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.11 3k1f h ASP 1257CO 0.00 0.19 -1.43 1.41 -0.00 0.00 0.00 179.24 179.41 3k1f n HIS 1258N -4.46 0.17 -0.06 0.28 8.25 -1.26 -3.97 115.22 114.16 3k1f n HIS 1258Ca 0.09 0.05 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 3k1f n HIS 1258Cb 0.38 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 3k1f n HIS 1258CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3k1f h MET 1259N 0.00 0.35 0.00 -0.41 1.85 -1.53 -2.96 114.93 112.23 3k1f h MET 1259Ca 0.00 -0.14 -0.05 0.00 -0.61 0.00 0.00 59.70 58.90 3k1f h MET 1259Cb 0.82 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.83 3k1f h MET 1259CO 0.00 0.64 -0.24 -0.07 -0.40 0.00 0.00 176.91 176.84 3k1f h LEU 1260N 0.05 0.00 -0.23 3.39 4.07 -1.50 -1.71 115.31 119.37 3k1f h LEU 1260Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3k1f h LEU 1260Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3k1f h LEU 1260CO 0.02 0.24 0.00 0.29 -1.08 0.00 0.00 178.44 177.91 3k1f n LYS 1261N -4.22 0.08 -0.12 1.13 5.02 -1.13 -3.05 118.16 115.88 3k1f n LYS 1261Ca -0.02 0.28 -0.24 0.00 -2.02 0.00 0.00 58.31 56.30 3k1f n LYS 1261Cb 0.29 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 3k1f n LYS 1261CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3k1f n LYS 1262N -1.80 0.57 -0.12 1.97 5.02 -0.70 -4.36 118.16 118.74 3k1f n LYS 1262Ca 0.04 0.43 0.27 0.00 -2.02 0.00 0.00 58.31 57.03 3k1f n LYS 1262Cb 0.23 -1.63 0.71 0.00 -0.02 0.00 0.00 35.03 34.32 3k1f n LYS 1262CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3k1f h ILE 1263N -1.00 0.39 -0.18 -0.18 2.04 -1.32 -0.47 117.51 116.80 3k1f h ILE 1263Ca -0.48 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 3k1f h ILE 1263Cb 1.40 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3k1f h ILE 1263CO -0.29 0.00 -0.34 1.05 0.00 0.00 0.00 178.15 178.57 3k1f h GLU 1264N 0.00 0.54 -0.58 2.37 4.11 -1.75 -1.07 114.58 118.20 3k1f h GLU 1264Ca 0.38 -0.35 -0.09 0.00 0.07 0.00 0.00 59.36 59.37 3k1f h GLU 1264Cb 1.74 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 3k1f h GLU 1264CO -0.00 0.95 -0.00 -0.91 0.07 0.00 0.00 179.01 179.12 3k1f h ASN 1265N 0.19 0.98 0.26 3.06 4.21 -1.32 0.24 115.58 123.20 3k1f h ASN 1265Ca 0.01 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.22 3k1f h ASN 1265Cb 0.93 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3k1f h ASN 1265CO 0.08 1.04 -0.13 0.74 -1.29 0.00 0.00 177.43 177.86 3k1f h THR 1266N 0.92 0.76 0.00 2.81 2.02 -1.28 -1.23 112.91 116.91 3k1f h THR 1266Ca 0.17 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 3k1f h THR 1266Cb 0.54 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3k1f h THR 1266CO 0.03 0.13 -0.69 -0.03 0.37 0.00 0.00 175.52 175.33 3k1f h MET 1267N 0.00 0.00 0.35 6.66 -1.53 -0.45 -3.36 114.93 116.60 3k1f h MET 1267Ca -0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 3k1f h MET 1267Cb 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 3k1f h MET 1267CO 0.02 0.32 -0.17 -0.07 0.14 0.00 0.00 176.91 177.15 3k1f h LEU 1268N -1.00 -0.39 -2.59 3.39 3.38 -0.60 -3.03 115.31 114.46 3k1f h LEU 1268Ca -0.10 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3k1f h LEU 1268Cb 0.72 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 3k1f h LEU 1268CO -0.06 -0.20 0.19 -0.62 0.09 0.00 0.00 178.44 177.84 3k1f n GLU 1269N -3.70 1.37 0.00 1.13 1.02 -0.47 -3.45 120.64 116.54 3k1f n GLU 1269Ca -0.06 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 3k1f n GLU 1269Cb 0.18 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3k1f n GLU 1269CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3k1f n ASN 1270N 0.03 0.00 -4.71 1.62 2.85 -1.24 -4.91 115.26 108.89 3k1f n ASN 1270Ca 0.17 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.27 3k1f n ASN 1270Cb 0.84 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.79 3k1f n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3k1f s ILE 1271N -1.00 5.24 -0.04 -1.44 1.01 -1.15 -5.03 121.20 118.79 3k1f s ILE 1271Ca 0.00 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.21 3k1f s ILE 1271Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3k1f s ILE 1271CO 0.00 0.34 0.44 -0.89 0.00 0.00 0.00 174.94 174.82 3k1f s THR 1272N 0.71 5.07 -0.21 2.92 2.01 -1.26 -2.61 115.64 122.27 3k1f s THR 1272Ca 0.20 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.14 3k1f s THR 1272Cb -0.14 -3.76 -0.16 0.00 0.01 0.00 0.00 72.50 68.45 3k1f s THR 1272CO 0.07 0.48 -0.14 0.18 -0.69 0.00 0.00 174.62 174.52 3k1f n LEU 1273N 2.54 2.34 -3.68 4.42 4.32 -0.21 -4.93 117.00 121.79 3k1f n LEU 1273Ca -0.11 -0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 55.68 3k1f n LEU 1273Cb 0.52 -0.52 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3k1f n LEU 1273CO 0.40 0.78 0.17 -0.13 -1.22 0.00 0.00 177.39 177.39 3k1f s ARG 1274N -2.44 1.15 0.14 3.23 0.52 -1.21 -5.03 118.95 115.31 3k1f s ARG 1274Ca -0.25 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 3k1f s ARG 1274Cb 0.07 0.48 0.00 0.00 0.52 0.00 0.00 34.95 36.02 3k1f s ARG 1274CO 0.56 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.83 3k1f n GLY 1275N -0.25 -2.65 3.76 -3.53 0.00 -1.24 -0.86 105.19 100.42 3k1f n GLY 1275Ca -0.14 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 3k1f n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 1276N -3.08 4.00 0.54 1.61 1.01 -0.18 -4.70 120.40 119.60 3k1f s VAL 1276Ca 0.00 1.86 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 3k1f s VAL 1276Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3k1f s VAL 1276CO 0.00 0.32 1.28 -1.83 0.00 0.00 0.00 175.10 174.87 3k1f s GLU 1277N -1.61 3.24 -1.62 2.72 -1.05 -1.26 -3.34 118.70 115.77 3k1f s GLU 1277Ca 0.46 2.04 0.00 0.00 -0.15 0.00 0.00 54.97 57.32 3k1f s GLU 1277Cb -0.24 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.23 3k1f s GLU 1277CO 0.30 -1.05 0.00 0.09 0.95 0.00 0.00 175.26 175.55 3k1f n ASN 1278N -1.03 -4.86 -4.04 0.83 3.02 -1.26 -4.78 115.26 103.14 3k1f n ASN 1278Ca 0.10 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.66 3k1f n ASN 1278Cb 0.47 -3.75 -0.11 0.00 -0.61 0.00 0.00 39.78 35.77 3k1f n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k1f s ILE 1279N -2.60 3.24 0.00 2.41 -1.09 -1.21 -4.07 121.20 117.89 3k1f s ILE 1279Ca 0.00 -3.05 0.00 0.00 -2.23 0.00 0.00 60.65 55.37 3k1f s ILE 1279Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3k1f s ILE 1279CO 0.00 -0.84 0.00 -0.62 -1.23 0.00 0.00 174.94 172.25 3k1f n GLU 1280N 3.40 0.00 -1.55 2.79 4.71 -0.60 0.30 120.64 129.69 3k1f n GLU 1280Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.82 3k1f n GLU 1280Cb 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.74 3k1f n GLU 1280CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3k1f n ARG 1281N 0.00 1.17 -3.35 3.49 1.74 -1.26 -4.44 116.66 114.00 3k1f n ARG 1281Ca 0.00 0.15 -0.44 0.00 -0.77 0.00 0.00 57.85 56.79 3k1f n ARG 1281Cb 0.00 -3.13 -0.07 0.00 -1.02 0.00 0.00 32.46 28.23 3k1f n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k1f s VAL 1282N 10.57 5.18 -0.13 1.55 1.01 -1.26 -2.92 120.40 134.41 3k1f s VAL 1282Ca 1.03 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3k1f s VAL 1282Cb -0.38 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 3k1f s VAL 1282CO 0.33 -0.62 -0.16 -0.69 0.00 0.00 0.00 175.10 173.96 3k1f s VAL 1283N 1.79 2.80 0.13 2.92 1.01 -0.63 -5.01 120.40 123.41 3k1f s VAL 1283Ca 0.06 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 3k1f s VAL 1283Cb -0.24 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 3k1f s VAL 1283CO 0.07 0.53 0.99 -0.04 0.00 0.00 0.00 175.10 176.66 3k1f s MET 1284N 0.40 4.68 -0.08 2.72 -1.94 -1.26 -1.29 119.30 122.53 3k1f s MET 1284Ca -0.12 1.52 0.01 0.00 -1.71 0.00 0.00 55.69 55.38 3k1f s MET 1284Cb -0.16 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.35 3k1f s MET 1284CO 0.06 0.19 -0.07 -1.64 -0.01 0.00 0.00 175.02 173.55 3k1f s MET 1285N -0.12 1.27 -0.90 2.03 -1.94 -0.07 -4.93 119.30 114.64 3k1f s MET 1285Ca 0.47 -0.21 -0.20 0.00 -1.71 0.00 0.00 55.69 54.05 3k1f s MET 1285Cb -0.25 -1.27 0.12 0.00 2.01 0.00 0.00 34.83 35.44 3k1f s MET 1285CO 0.31 -0.15 1.13 0.21 -0.01 0.00 0.00 175.02 176.51 3k1f s LYS 1286N 1.27 3.53 0.22 2.03 2.20 -1.26 -1.01 119.74 126.72 3k1f s LYS 1286Ca -0.04 -1.59 -0.12 0.00 -0.36 0.00 0.00 55.97 53.86 3k1f s LYS 1286Cb -0.14 -4.87 -0.07 0.00 -1.51 0.00 0.00 37.83 31.24 3k1f s LYS 1286CO -0.03 -1.81 0.57 0.71 -0.36 0.00 0.00 175.35 174.44 3k1f s TYR 1287N 3.04 3.48 -0.32 4.03 4.12 -0.44 -4.81 117.35 126.45 3k1f s TYR 1287Ca 0.32 0.98 -0.13 0.00 0.02 0.00 0.00 57.07 58.26 3k1f s TYR 1287Cb -0.06 -2.33 -0.03 0.00 -1.52 0.00 0.00 41.96 38.02 3k1f s TYR 1287CO -0.07 0.30 0.28 -0.51 0.02 0.00 0.00 175.55 175.57 3k1f s ASP 1288N -2.14 6.11 -0.21 2.29 1.01 -1.26 -0.78 116.67 121.69 3k1f s ASP 1288Ca 0.45 -0.16 -0.09 0.00 0.71 0.00 0.00 52.55 53.46 3k1f s ASP 1288Cb -0.12 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 3k1f s ASP 1288CO 0.20 -0.21 0.12 -0.60 0.21 0.00 0.00 175.17 174.89 3k1f s ARG 1289N 1.87 4.06 -0.56 8.23 3.52 0.02 -4.90 118.95 131.19 3k1f s ARG 1289Ca 0.09 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 3k1f s ARG 1289Cb -0.17 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3k1f s ARG 1289CO 0.11 0.17 1.42 0.21 -0.81 0.00 0.00 175.30 176.40 3k1f s LYS 1290N 0.71 3.30 0.03 5.12 2.20 -1.26 -1.09 119.74 128.75 3k1f s LYS 1290Ca 0.06 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.19 3k1f s LYS 1290Cb -0.13 -4.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 3k1f s LYS 1290CO 0.01 -1.94 -0.17 0.08 -0.36 0.00 0.00 175.35 172.97 3k1f s VAL 1291N 6.09 1.34 0.36 4.02 1.01 -0.28 -4.51 120.40 128.42 3k1f s VAL 1291Ca 0.53 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3k1f s VAL 1291Cb -0.11 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.00 3k1f s VAL 1291CO 0.25 0.14 1.28 -2.84 0.00 0.00 0.00 175.10 173.92 3k1f s PRO 1292N -1.02 4.22 0.18 2.72 0.02 -1.26 -0.79 135.00 139.07 3k1f s PRO 1292Ca 0.05 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.13 3k1f s PRO 1292Cb -0.08 -2.94 -0.06 0.00 0.02 0.00 0.00 34.50 31.44 3k1f s PRO 1292CO 0.01 -0.27 0.45 0.45 -0.33 0.00 0.00 177.00 177.31 3k1f s SER 1293N -0.66 6.53 0.60 2.53 0.15 -0.04 -4.84 113.70 117.96 3k1f s SER 1293Ca 0.52 0.70 0.31 0.00 0.70 0.00 0.00 55.95 58.18 3k1f s SER 1293Cb -0.38 -2.14 1.81 0.00 -1.71 0.00 0.00 66.02 63.61 3k1f s SER 1293CO 0.49 -0.01 2.19 1.55 1.20 0.00 0.00 173.24 178.66 3k1f h PRO 1294N 2.61 0.00 0.00 5.44 0.13 -1.96 -1.19 132.00 137.03 3k1f h PRO 1294Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3k1f h PRO 1294Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3k1f h PRO 1294CO 0.71 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 176.11 3k1f n THR 1295N -3.70 0.67 0.00 1.56 5.66 -1.26 -4.97 114.28 112.24 3k1f n THR 1295Ca -0.01 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3k1f n THR 1295Cb 0.20 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 3k1f n THR 1295CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k1f n GLY 1296N 0.63 2.15 3.26 1.09 0.00 -0.45 -3.40 105.19 108.48 3k1f n GLY 1296Ca 0.04 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3k1f n GLY 1296CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k1f n GLU 1297N 0.00 0.10 -2.92 1.61 -0.00 -1.10 -4.09 120.64 114.24 3k1f n GLU 1297Ca 0.00 0.05 -0.40 0.00 -0.00 0.00 0.00 57.16 56.80 3k1f n GLU 1297Cb 0.00 -1.25 -0.04 0.00 -0.00 0.00 0.00 31.44 30.14 3k1f n GLU 1297CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3k1f s TYR 1298N -1.96 3.65 0.04 -1.84 1.51 -1.26 -0.87 117.35 116.63 3k1f s TYR 1298Ca 0.56 1.46 0.05 0.00 -1.01 0.00 0.00 57.07 58.13 3k1f s TYR 1298Cb -0.38 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 3k1f s TYR 1298CO 0.67 0.12 -0.13 0.08 -1.11 0.00 0.00 175.55 175.17 3k1f s VAL 1299N 0.59 1.05 0.13 0.71 1.01 0.03 -4.90 120.40 119.01 3k1f s VAL 1299Ca 0.42 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3k1f s VAL 1299Cb -0.20 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3k1f s VAL 1299CO 0.23 -0.06 1.17 -0.75 0.00 0.00 0.00 175.10 175.68 3k1f s LYS 1300N -1.25 4.49 -0.07 2.72 2.20 -1.26 -1.13 119.74 125.44 3k1f s LYS 1300Ca 0.00 1.78 -0.01 0.00 -0.36 0.00 0.00 55.97 57.38 3k1f s LYS 1300Cb -0.08 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3k1f s LYS 1300CO 0.01 -0.12 -0.02 -2.00 -0.36 0.00 0.00 175.35 172.87 3k1f s GLU 1301N 0.30 0.78 0.25 4.03 2.12 -0.25 -4.94 118.70 121.00 3k1f s GLU 1301Ca 0.54 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3k1f s GLU 1301Cb -0.30 -1.05 -0.09 0.00 0.26 0.00 0.00 34.13 32.95 3k1f s GLU 1301CO 0.33 -0.27 0.93 -1.25 -0.54 0.00 0.00 175.26 174.47 3k1f s PRO 1302N 1.78 4.80 -0.03 4.30 0.04 -1.26 -0.79 135.00 143.83 3k1f s PRO 1302Ca 0.03 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 3k1f s PRO 1302Cb -0.13 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.23 3k1f s PRO 1302CO -0.05 0.48 0.11 -1.83 0.04 0.00 0.00 177.00 175.75 3k1f s GLU 1303N -1.34 0.23 -0.59 4.56 -1.05 0.04 -4.67 118.70 115.88 3k1f s GLU 1303Ca 0.42 -0.02 -0.27 0.00 -0.15 0.00 0.00 54.97 54.95 3k1f s GLU 1303Cb -0.25 0.10 0.03 0.00 -0.44 0.00 0.00 34.13 33.58 3k1f s GLU 1303CO 0.30 -0.04 1.16 -1.58 0.95 0.00 0.00 175.26 176.05 3k1f s TRP 1304N -0.37 2.61 -0.07 4.83 0.52 -1.11 -1.33 118.94 124.01 3k1f s TRP 1304Ca -0.04 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.39 3k1f s TRP 1304Cb -0.03 -4.45 -0.02 0.00 -1.15 0.00 0.00 33.47 27.82 3k1f s TRP 1304CO 0.00 -1.60 -0.15 0.08 0.02 0.00 0.00 176.95 175.31 3k1f s VAL 1305N 4.85 2.99 -0.12 4.03 1.01 -0.18 -4.21 120.40 128.78 3k1f s VAL 1305Ca 0.40 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 3k1f s VAL 1305Cb -0.08 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3k1f s VAL 1305CO 0.23 0.57 0.27 -0.76 0.00 0.00 0.00 175.10 175.42 3k1f s LEU 1306N -0.38 4.31 -0.15 3.92 1.02 -0.43 -0.90 118.68 126.08 3k1f s LEU 1306Ca 0.04 0.57 -0.02 0.00 0.02 0.00 0.00 54.13 54.74 3k1f s LEU 1306Cb -0.12 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.73 3k1f s LEU 1306CO 0.02 0.21 -0.08 -1.61 0.02 0.00 0.00 176.35 174.91 3k1f s GLU 1307N -0.13 3.52 0.07 1.70 2.02 -0.41 -1.47 118.70 124.01 3k1f s GLU 1307Ca 0.17 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.59 3k1f s GLU 1307Cb -0.13 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3k1f s GLU 1307CO 0.05 0.20 -0.10 -0.08 0.02 0.00 0.00 175.26 175.35 3k1f s THR 1308N 0.44 0.81 -0.26 3.63 -1.32 0.09 -1.60 115.64 117.42 3k1f s THR 1308Ca -0.06 -1.33 -0.18 0.00 -1.21 0.00 0.00 61.69 58.91 3k1f s THR 1308Cb -0.15 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 3k1f s THR 1308CO 0.04 -0.40 0.54 -0.62 -2.21 0.00 0.00 174.62 171.96 3k1f s ASP 1309N -1.91 6.46 0.00 8.08 -1.08 -1.15 -1.63 116.67 125.44 3k1f s ASP 1309Ca -0.03 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 3k1f s ASP 1309Cb -0.07 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3k1f s ASP 1309CO 0.01 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3k1f n GLY 1310N 4.35 2.73 3.17 2.66 0.00 0.43 -1.55 105.19 116.98 3k1f n GLY 1310Ca -0.03 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3k1f n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 1311N -1.21 2.58 -0.29 1.61 1.01 -1.26 -4.03 120.40 118.83 3k1f s VAL 1311Ca 0.00 -1.06 0.21 0.00 0.00 0.00 0.00 61.98 61.12 3k1f s VAL 1311Cb 0.00 -2.28 0.49 0.00 0.00 0.00 0.00 36.38 34.59 3k1f s VAL 1311CO 0.00 0.27 1.09 -3.20 0.00 0.00 0.00 175.10 173.26 3k1f n ASN 1312N 4.63 1.27 -0.28 3.32 5.15 -1.26 -5.02 115.26 123.06 3k1f n ASN 1312Ca -0.17 -2.25 0.10 0.00 -0.60 0.00 0.00 54.58 51.66 3k1f n ASN 1312Cb 0.47 -0.39 0.20 0.00 -0.53 0.00 0.00 39.78 39.53 3k1f n ASN 1312CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3k1f n LEU 1313N -0.49 -0.16 -0.20 1.20 7.94 -1.26 -2.19 117.00 121.84 3k1f n LEU 1313Ca 0.06 1.37 -0.02 0.00 -1.11 0.00 0.00 56.01 56.31 3k1f n LEU 1313Cb 0.81 -0.47 0.05 0.00 0.53 0.00 0.00 43.42 44.34 3k1f n LEU 1313CO 0.11 -1.36 0.72 0.77 -1.11 0.00 0.00 177.39 176.52 3k1f h SER 1314N 0.00 -0.66 0.00 1.96 4.64 -1.96 -3.07 113.55 114.46 3k1f h SER 1314Ca 0.45 0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.91 3k1f h SER 1314Cb 0.87 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3k1f h SER 1314CO -0.78 -0.22 -0.28 -0.33 -0.87 0.00 0.00 176.83 174.35 3k1f h GLU 1315N -0.04 0.00 0.00 4.77 5.08 -1.88 -3.37 114.58 119.14 3k1f h GLU 1315Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3k1f h GLU 1315Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3k1f h GLU 1315CO -0.63 0.97 0.10 0.28 -1.00 0.00 0.00 179.01 178.73 3k1f n VAL 1316N -4.57 1.15 0.03 3.13 0.31 -1.14 -0.78 118.33 116.46 3k1f n VAL 1316Ca -0.15 0.39 -0.15 0.00 -0.01 0.00 0.00 64.34 64.42 3k1f n VAL 1316Cb 0.51 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 3k1f n VAL 1316CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 3k1f h MET 1317N 0.00 0.17 0.00 5.55 4.05 -1.69 -3.33 114.93 119.68 3k1f h MET 1317Ca 0.00 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3k1f h MET 1317Cb 0.20 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3k1f h MET 1317CO 0.00 0.96 0.00 0.25 0.23 0.00 0.00 176.91 178.35 3k1f n THR 1318N -3.34 0.00 -2.10 -0.77 -2.24 0.04 -4.76 114.28 101.11 3k1f n THR 1318Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3k1f n THR 1318Cb 1.04 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 3k1f n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k1f s VAL 1319N -2.00 3.05 0.52 2.28 1.01 -1.25 -5.02 120.40 118.99 3k1f s VAL 1319Ca 0.17 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 3k1f s VAL 1319Cb 0.08 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 3k1f s VAL 1319CO 0.13 0.07 1.02 -2.84 0.00 0.00 0.00 175.10 173.49 3k1f s PRO 1320N 0.80 3.75 -1.03 2.72 0.02 -1.26 -4.03 135.00 135.97 3k1f s PRO 1320Ca 0.64 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3k1f s PRO 1320Cb -0.39 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3k1f s PRO 1320CO 0.33 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 3k1f n GLY 1321N -0.80 -0.05 3.18 0.52 0.00 -1.26 -5.00 105.19 101.78 3k1f n GLY 1321Ca 0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 3k1f n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k1f s ILE 1322N -2.58 0.97 -0.60 -0.61 -4.36 -1.26 -3.23 121.20 109.53 3k1f s ILE 1322Ca 0.00 -1.64 -0.25 0.00 -0.26 0.00 0.00 60.65 58.50 3k1f s ILE 1322Cb 0.00 -1.37 0.04 0.00 1.25 0.00 0.00 42.46 42.38 3k1f s ILE 1322CO 0.00 -0.55 1.02 -1.81 0.24 0.00 0.00 174.94 173.84 3k1f s ASP 1323N -2.44 6.30 0.00 4.36 1.01 -0.15 -4.60 116.67 121.15 3k1f s ASP 1323Ca 0.06 -0.43 0.29 0.00 0.71 0.00 0.00 52.55 53.17 3k1f s ASP 1323Cb -0.03 -2.46 1.50 0.00 1.01 0.00 0.00 42.92 42.94 3k1f s ASP 1323CO 0.00 -1.37 2.02 -0.81 0.21 0.00 0.00 175.17 175.22 3k1f n PRO 1324N 7.85 0.47 0.00 8.23 -0.05 -1.26 -2.42 135.00 147.82 3k1f n PRO 1324Ca 0.02 0.01 0.13 0.00 -0.05 0.00 0.00 63.50 63.61 3k1f n PRO 1324Cb 0.47 -1.50 0.43 0.00 -0.05 0.00 0.00 33.50 32.85 3k1f n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 3k1f n THR 1325N -1.25 0.00 0.00 0.52 5.66 -1.26 -4.33 114.28 113.62 3k1f n THR 1325Ca 0.15 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 3k1f n THR 1325Cb 0.22 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 3k1f n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3k1f n ARG 1326N -1.43 3.77 -0.97 1.09 1.74 -1.02 -5.10 116.66 114.76 3k1f n ARG 1326Ca 0.07 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.77 3k1f n ARG 1326Cb 0.33 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.73 3k1f n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3k1f n ILE 1327N -1.94 0.00 -3.76 0.55 3.06 -1.07 -4.88 119.36 111.32 3k1f n ILE 1327Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 3k1f n ILE 1327Cb 0.47 -0.15 -0.14 0.00 0.54 0.00 0.00 39.64 40.37 3k1f n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 3k1f s TYR 1328N 0.87 -0.19 0.30 9.51 5.04 -0.37 -5.03 117.35 127.48 3k1f s TYR 1328Ca 0.58 0.52 0.08 0.00 -2.44 0.00 0.00 57.07 55.81 3k1f s TYR 1328Cb -0.82 -0.04 -0.03 0.00 0.35 0.00 0.00 41.96 41.41 3k1f s TYR 1328CO 0.41 -0.16 0.20 0.95 -1.34 0.00 0.00 175.55 175.61 3k1f s THR 1329N 1.01 3.76 -2.23 4.34 -4.23 -1.26 -0.39 115.64 116.63 3k1f s THR 1329Ca -0.08 -1.50 0.30 0.00 -1.18 0.00 0.00 61.69 59.23 3k1f s THR 1329Cb -0.10 -3.19 0.70 0.00 1.34 0.00 0.00 72.50 71.26 3k1f s THR 1329CO -0.05 -0.26 1.96 -0.46 -0.54 0.00 0.00 174.62 175.27 3k1f n ASN 1330N -1.21 0.78 -4.46 3.99 6.94 0.12 -4.65 115.26 116.77 3k1f n ASN 1330Ca -0.05 -1.23 -0.44 0.00 -0.02 0.00 0.00 54.58 52.85 3k1f n ASN 1330Cb 0.59 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.99 3k1f n ASN 1330CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3k1f s SER 1331N -2.03 6.65 0.26 0.53 0.15 -1.26 -4.88 113.70 113.13 3k1f s SER 1331Ca 0.42 -2.07 -0.01 0.00 0.70 0.00 0.00 55.95 54.99 3k1f s SER 1331Cb 0.21 -2.41 0.57 0.00 -1.71 0.00 0.00 66.02 62.68 3k1f s SER 1331CO 0.36 -1.08 1.69 2.19 1.20 0.00 0.00 173.24 177.60 3k1f h PHE 1332N 8.78 0.42 -0.88 3.44 -5.15 -1.91 -0.61 116.94 121.03 3k1f h PHE 1332Ca 0.17 0.04 0.01 0.00 -0.20 0.00 0.00 57.97 58.00 3k1f h PHE 1332Cb 1.01 -0.06 -0.04 0.00 0.22 0.00 0.00 35.95 37.08 3k1f h PHE 1332CO 1.17 -0.07 0.58 0.97 -2.00 0.00 0.00 178.31 178.96 3k1f h ILE 1333N 0.32 1.22 -0.05 0.88 -0.00 -1.92 -1.58 117.51 116.38 3k1f h ILE 1333Ca 0.48 -0.41 -0.02 0.00 -0.00 0.00 0.00 64.86 64.91 3k1f h ILE 1333Cb 0.85 -0.07 -0.00 0.00 -0.00 0.00 0.00 36.82 37.60 3k1f h ILE 1333CO -0.53 0.22 -0.06 0.44 -0.00 0.00 0.00 178.15 178.22 3k1f h ASP 1334N 1.19 0.14 -0.67 2.19 3.32 -1.57 -2.84 116.42 118.17 3k1f h ASP 1334Ca 0.33 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.92 3k1f h ASP 1334Cb -0.13 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3k1f h ASP 1334CO -0.07 0.61 0.44 0.40 -1.72 0.00 0.00 179.24 178.90 3k1f h ILE 1335N -0.33 1.05 -0.49 0.35 2.04 -1.17 -1.32 117.51 117.64 3k1f h ILE 1335Ca 0.01 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3k1f h ILE 1335Cb 0.58 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3k1f h ILE 1335CO 0.01 0.14 0.20 -0.03 0.00 0.00 0.00 178.15 178.47 3k1f h MET 1336N 0.75 0.72 -0.03 2.37 4.05 -1.26 0.61 114.93 122.14 3k1f h MET 1336Ca 0.28 -0.13 -0.16 0.00 -0.28 0.00 0.00 59.70 59.42 3k1f h MET 1336Cb 0.17 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3k1f h MET 1336CO -0.08 0.64 -0.69 0.93 0.23 0.00 0.00 176.91 177.94 3k1f h GLU 1337N 0.64 0.15 0.02 0.39 5.08 -1.10 -3.09 114.58 116.67 3k1f h GLU 1337Ca 0.16 -0.12 -0.39 0.00 -1.00 0.00 0.00 59.36 58.01 3k1f h GLU 1337Cb 0.18 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3k1f h GLU 1337CO -0.01 0.78 -2.36 0.28 -1.00 0.00 0.00 179.01 176.69 3k1f n VAL 1338N -3.78 1.55 0.22 3.13 0.31 -0.57 -4.69 118.33 114.50 3k1f n VAL 1338Ca -0.02 -0.55 0.08 0.00 -0.01 0.00 0.00 64.34 63.84 3k1f n VAL 1338Cb 0.67 -1.55 0.14 0.00 -0.91 0.00 0.00 33.84 32.20 3k1f n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3k1f n LEU 1339N -3.44 2.85 0.00 7.52 4.77 0.20 -5.09 117.00 123.81 3k1f n LEU 1339Ca -0.44 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 3k1f n LEU 1339Cb 0.98 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3k1f n LEU 1339CO 0.26 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3k1f n GLY 1340N 0.96 2.21 0.23 -0.72 0.00 -1.17 -4.41 105.19 102.29 3k1f n GLY 1340Ca 0.13 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3k1f n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k1f h ILE 1341N 0.00 1.21 -0.16 -0.61 -0.00 -1.90 -1.48 117.51 114.56 3k1f h ILE 1341Ca 0.00 -0.94 -0.20 0.00 -0.00 0.00 0.00 64.86 63.72 3k1f h ILE 1341Cb 0.00 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 38.14 3k1f h ILE 1341CO 0.00 0.29 -0.71 -0.33 -0.00 0.00 0.00 178.15 177.40 3k1f h GLU 1342N 0.22 0.68 0.00 2.19 4.39 -1.93 -1.01 114.58 119.12 3k1f h GLU 1342Ca 0.04 -0.52 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 3k1f h GLU 1342Cb 0.47 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3k1f h GLU 1342CO 0.03 1.14 -0.23 0.00 -1.16 0.00 0.00 179.01 178.79 3k1f h ALA 1343N 0.72 1.23 -0.03 3.43 0.00 -1.71 -1.41 119.26 121.48 3k1f h ALA 1343Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3k1f h ALA 1343Cb 1.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3k1f h ALA 1343CO 0.14 0.29 -0.02 0.78 0.00 0.00 0.00 179.25 180.44 3k1f h GLY 1344N 1.29 0.08 0.06 0.00 0.00 -0.96 -0.93 103.07 102.61 3k1f h GLY 1344Ca -0.00 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.32 3k1f h GLY 1344CO 0.03 0.07 -0.26 -0.09 0.00 0.00 0.00 176.54 176.29 3k1f h ARG 1345N -0.35 -0.23 -0.11 4.80 2.43 -0.61 0.03 114.38 120.33 3k1f h ARG 1345Ca 0.01 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3k1f h ARG 1345Cb 0.48 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3k1f h ARG 1345CO 0.01 -0.15 -0.16 0.00 -1.51 0.00 0.00 179.97 178.15 3k1f h ALA 1346N 0.82 -0.10 -0.97 2.80 0.00 -1.27 -1.68 119.26 118.86 3k1f h ALA 1346Ca 0.15 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3k1f h ALA 1346Cb 0.48 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3k1f h ALA 1346CO -0.43 -0.62 0.64 0.00 0.00 0.00 0.00 179.25 178.85 3k1f h ALA 1347N 0.83 1.24 0.07 0.00 0.00 -0.59 -1.36 119.26 119.45 3k1f h ALA 1347Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k1f h ALA 1347Cb 0.33 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3k1f h ALA 1347CO -0.24 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 180.85 3k1f h LEU 1348N 1.31 -0.08 -0.34 0.00 5.85 -0.58 -1.42 115.31 120.05 3k1f h LEU 1348Ca 0.36 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3k1f h LEU 1348Cb -0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3k1f h LEU 1348CO -0.08 0.01 0.14 0.22 -0.34 0.00 0.00 178.44 178.39 3k1f h TYR 1349N -0.17 0.25 -0.68 1.25 3.20 -1.07 -1.06 116.97 118.68 3k1f h TYR 1349Ca -0.01 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3k1f h TYR 1349Cb 0.14 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.25 3k1f h TYR 1349CO -0.05 0.12 0.16 -0.22 -1.64 0.00 0.00 178.16 176.53 3k1f h LYS 1350N 0.30 0.27 -0.24 1.82 3.11 -0.93 -0.13 116.57 120.76 3k1f h LYS 1350Ca 0.15 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 3k1f h LYS 1350Cb 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 3k1f h LYS 1350CO -0.13 0.18 -0.20 1.49 -2.81 0.00 0.00 179.45 177.98 3k1f h GLU 1351N 0.27 0.56 -0.47 1.90 4.57 -0.63 -1.47 114.58 119.32 3k1f h GLU 1351Ca 0.37 -0.28 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3k1f h GLU 1351Cb 0.60 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3k1f h GLU 1351CO -0.46 0.86 0.19 0.28 -1.18 0.00 0.00 179.01 178.70 3k1f h VAL 1352N 0.27 0.89 -0.70 0.32 2.07 -0.63 -1.25 116.25 117.22 3k1f h VAL 1352Ca 0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3k1f h VAL 1352Cb 0.74 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3k1f h VAL 1352CO 0.05 0.07 0.36 0.22 0.02 0.00 0.00 177.57 178.29 3k1f h TYR 1353N 0.38 0.99 0.00 1.57 3.20 -1.04 -1.62 116.97 120.45 3k1f h TYR 1353Ca 0.21 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3k1f h TYR 1353Cb 0.18 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3k1f h TYR 1353CO -0.14 0.72 -0.12 -0.91 -1.64 0.00 0.00 178.16 176.07 3k1f h ASN 1354N 0.97 0.00 0.36 -2.11 4.21 -0.41 -0.91 115.58 117.70 3k1f h ASN 1354Ca 0.24 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.43 3k1f h ASN 1354Cb 0.08 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.30 3k1f h ASN 1354CO -0.04 0.12 -1.45 0.58 -1.29 0.00 0.00 177.43 175.35 3k1f h VAL 1355N 0.00 1.30 -0.34 2.81 2.07 -0.67 -1.41 116.25 120.00 3k1f h VAL 1355Ca -0.00 -2.78 -0.11 0.00 0.82 0.00 0.00 66.70 64.62 3k1f h VAL 1355Cb 0.33 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3k1f h VAL 1355CO 0.02 0.84 -0.25 0.40 0.02 0.00 0.00 177.57 178.59 3k1f h ILE 1356N 0.12 1.27 0.00 4.57 5.03 -0.94 -2.64 117.51 124.92 3k1f h ILE 1356Ca -0.23 -1.35 0.00 0.00 -0.12 0.00 0.00 64.86 63.16 3k1f h ILE 1356Cb 2.11 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 37.18 3k1f h ILE 1356CO 0.24 0.44 -0.12 0.00 -0.68 0.00 0.00 178.15 178.04 3k1f h ALA 1357N 1.13 0.93 -0.39 1.87 0.00 -1.26 -0.99 119.26 120.55 3k1f h ALA 1357Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3k1f h ALA 1357Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3k1f h ALA 1357CO 0.06 0.00 -0.24 0.66 0.00 0.00 0.00 179.25 179.73 3k1f h SER 1358N 0.00 0.80 0.60 0.00 4.64 -0.88 -2.18 113.55 116.54 3k1f h SER 1358Ca 0.00 -0.30 -0.18 0.00 -0.47 0.00 0.00 61.79 60.85 3k1f h SER 1358Cb 0.87 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3k1f h SER 1358CO 0.00 1.01 -0.79 -0.78 -0.87 0.00 0.00 176.83 175.40 3k1f h ASP 1359N 0.68 0.18 0.00 4.97 -0.00 -1.56 -3.48 116.42 117.21 3k1f h ASP 1359Ca 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 56.99 3k1f h ASP 1359Cb 0.76 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 3k1f h ASP 1359CO 0.06 0.90 0.00 0.61 -0.00 0.00 0.00 179.24 180.81 3k1f n GLY 1360N 0.70 1.29 3.91 -0.78 0.00 -0.82 -4.99 105.19 104.51 3k1f n GLY 1360Ca -0.02 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3k1f n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1f s SER 1361N -2.15 5.29 -0.06 1.61 0.01 -0.40 -4.96 113.70 113.04 3k1f s SER 1361Ca 0.00 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.73 3k1f s SER 1361Cb 0.00 -0.71 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 3k1f s SER 1361CO 0.00 -0.61 -0.25 -0.47 0.41 0.00 0.00 173.24 172.33 3k1f s TYR 1362N -2.40 2.46 -0.03 2.43 5.04 -1.26 -4.05 117.35 119.54 3k1f s TYR 1362Ca 0.48 -0.75 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 3k1f s TYR 1362Cb -0.06 -1.61 0.01 0.00 0.35 0.00 0.00 41.96 40.65 3k1f s TYR 1362CO 0.29 -0.24 -0.07 0.08 -1.34 0.00 0.00 175.55 174.28 3k1f s VAL 1363N -0.11 0.63 -0.04 3.14 1.01 -1.26 -4.65 120.40 119.12 3k1f s VAL 1363Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3k1f s VAL 1363Cb -0.14 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3k1f s VAL 1363CO 0.04 0.22 1.52 0.21 0.00 0.00 0.00 175.10 177.09 3k1f s ASN 1364N 0.45 6.75 0.02 3.32 3.84 -1.20 -4.91 114.94 123.21 3k1f s ASN 1364Ca -0.06 2.16 -0.01 0.00 0.21 0.00 0.00 52.86 55.16 3k1f s ASN 1364Cb -0.10 -2.55 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 3k1f s ASN 1364CO 0.00 -0.83 0.12 0.00 -2.79 0.00 0.00 177.10 173.60 3k1f n TYR 1365N 6.31 0.02 -0.20 0.43 9.36 -1.26 -1.77 117.16 130.05 3k1f n TYR 1365Ca 0.15 0.09 -0.04 0.00 3.32 0.00 0.00 57.90 61.43 3k1f n TYR 1365Cb 0.43 -0.54 0.02 0.00 -0.63 0.00 0.00 39.34 38.62 3k1f n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3k1f h ARG 1366N 0.00 -0.12 -0.25 2.98 0.11 -1.91 0.15 114.38 115.34 3k1f h ARG 1366Ca 0.03 0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.15 3k1f h ARG 1366Cb 0.05 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.13 3k1f h ARG 1366CO -0.08 -0.08 0.06 0.45 0.10 0.00 0.00 179.97 180.42 3k1f h HIS 1367N -0.13 0.10 0.01 4.08 3.86 -1.71 -0.17 115.15 121.19 3k1f h HIS 1367Ca 0.25 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3k1f h HIS 1367Cb 0.53 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3k1f h HIS 1367CO -0.60 0.03 -0.00 0.52 0.86 0.00 0.00 177.93 178.74 3k1f h MET 1368N 0.16 -0.01 -0.53 2.45 2.86 -1.61 -1.93 114.93 116.32 3k1f h MET 1368Ca 0.12 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.87 3k1f h MET 1368Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3k1f h MET 1368CO -0.15 0.42 0.36 0.00 1.06 0.00 0.00 176.91 178.60 3k1f h ALA 1369N 0.55 2.21 0.54 6.32 0.00 -0.65 -0.04 119.26 128.19 3k1f h ALA 1369Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3k1f h ALA 1369Cb 0.43 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3k1f h ALA 1369CO 0.00 -0.34 -0.26 1.25 0.00 0.00 0.00 179.25 179.90 3k1f h LEU 1370N 0.21 -0.61 -0.69 0.00 7.12 -0.86 0.17 115.31 120.65 3k1f h LEU 1370Ca 0.25 0.02 0.12 0.00 0.13 0.00 0.00 57.88 58.40 3k1f h LEU 1370Cb 0.69 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.90 3k1f h LEU 1370CO -0.04 -0.28 0.26 0.25 -0.13 0.00 0.00 178.44 178.50 3k1f h LEU 1371N -1.04 0.24 0.13 2.25 5.85 -0.91 0.05 115.31 121.88 3k1f h LEU 1371Ca -0.07 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3k1f h LEU 1371Cb 0.55 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3k1f h LEU 1371CO 0.12 0.12 -0.07 0.58 -0.34 0.00 0.00 178.44 178.84 3k1f h VAL 1372N 0.42 0.84 0.00 1.05 2.07 -1.05 -1.22 116.25 118.36 3k1f h VAL 1372Ca 0.36 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.82 3k1f h VAL 1372Cb 0.50 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3k1f h VAL 1372CO -0.36 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.38 3k1f h ASP 1373N -0.20 0.00 -0.00 0.57 3.32 -0.47 -2.37 116.42 117.27 3k1f h ASP 1373Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1f h ASP 1373Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3k1f h ASP 1373CO 0.02 0.29 0.00 0.58 -1.72 0.00 0.00 179.24 178.42 3k1f h VAL 1374N 0.00 1.04 0.00 -1.35 2.07 -0.54 -1.25 116.25 116.21 3k1f h VAL 1374Ca -0.00 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3k1f h VAL 1374Cb 0.54 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3k1f h VAL 1374CO 0.04 0.03 -0.14 0.24 0.02 0.00 0.00 177.57 177.75 3k1f h MET 1375N -0.04 0.00 0.07 1.57 2.86 -0.78 -3.29 114.93 115.31 3k1f h MET 1375Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 3k1f h MET 1375Cb 0.04 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3k1f h MET 1375CO -0.00 0.14 -2.13 0.25 1.06 0.00 0.00 176.91 176.23 3k1f n THR 1376N -3.85 1.65 -0.21 2.22 -2.24 -0.93 -1.60 114.28 109.32 3k1f n THR 1376Ca -0.02 -0.56 0.21 0.00 -2.27 0.00 0.00 64.05 61.41 3k1f n THR 1376Cb 0.24 -1.66 0.38 0.00 -2.10 0.00 0.00 70.33 67.18 3k1f n THR 1376CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3k1f n THR 1377N -3.53 -0.25 0.50 4.28 -2.24 -0.49 -1.22 114.28 111.32 3k1f n THR 1377Ca -0.38 1.27 0.01 0.00 -2.27 0.00 0.00 64.05 62.68 3k1f n THR 1377Cb 0.99 -2.06 0.05 0.00 -2.10 0.00 0.00 70.33 67.20 3k1f n THR 1377CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1f n GLN 1378N -4.38 0.25 0.00 -0.78 1.13 -1.26 -4.78 117.38 107.56 3k1f n GLN 1378Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 3k1f n GLN 1378Cb 0.83 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 30.09 3k1f n GLN 1378CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k1f n GLY 1379N -0.30 2.85 0.00 1.08 0.00 -0.36 -4.98 105.19 103.48 3k1f n GLY 1379Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3k1f n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 1380N -2.00 2.93 3.58 -0.02 0.00 -1.21 -4.92 105.19 103.55 3k1f n GLY 1380Ca 0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 3k1f n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 1381N 0.00 3.61 -0.20 0.99 1.43 -1.26 -4.18 118.68 119.06 3k1f s LEU 1381Ca 0.00 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 3k1f s LEU 1381Cb 0.00 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3k1f s LEU 1381CO 0.00 -1.38 0.28 -0.89 0.23 0.00 0.00 176.35 174.60 3k1f s THR 1382N 4.65 5.29 0.86 5.49 2.01 -0.62 -5.06 115.64 128.25 3k1f s THR 1382Ca 0.42 0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 3k1f s THR 1382Cb -0.08 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.92 3k1f s THR 1382CO 0.26 0.32 1.16 -0.55 -0.69 0.00 0.00 174.62 175.12 3k1f s SER 1383N 0.88 3.35 -0.81 3.53 0.15 -1.26 -4.83 113.70 114.71 3k1f s SER 1383Ca 0.14 2.20 0.02 0.00 0.70 0.00 0.00 55.95 59.02 3k1f s SER 1383Cb -0.14 -2.57 0.29 0.00 -1.71 0.00 0.00 66.02 61.89 3k1f s SER 1383CO 0.05 -2.82 1.12 0.52 1.20 0.00 0.00 173.24 173.31 3k1f n VAL 1384N -3.82 3.80 -3.56 4.45 0.31 -0.53 -3.33 118.33 115.66 3k1f n VAL 1384Ca 0.12 -5.59 -0.06 0.00 -0.01 0.00 0.00 64.34 58.80 3k1f n VAL 1384Cb 0.52 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 3k1f n VAL 1384CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3k1f n THR 1385N 0.72 0.00 0.05 2.52 -2.24 -1.26 -4.73 114.28 109.33 3k1f n THR 1385Ca 0.31 -0.70 0.19 0.00 -2.27 0.00 0.00 64.05 61.58 3k1f n THR 1385Cb 0.37 0.61 0.71 0.00 -2.10 0.00 0.00 70.33 69.92 3k1f n THR 1385CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3k1f h ARG 1386N 0.00 0.00 -0.15 -0.78 0.11 -1.95 0.26 114.38 111.88 3k1f h ARG 1386Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 3k1f h ARG 1386Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 3k1f h ARG 1386CO 0.25 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 177.93 3k1f n HIS 1387N -4.26 0.17 0.00 4.08 1.44 -1.26 -3.91 115.22 111.47 3k1f n HIS 1387Ca 0.08 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3k1f n HIS 1387Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 3k1f n HIS 1387CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3k1f n GLY 1388N 1.34 -0.27 0.16 -1.39 0.00 0.88 -4.78 105.19 101.13 3k1f n GLY 1388Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3k1f n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3k1f h PHE 1389N 0.00 0.47 0.00 1.61 -5.15 -1.45 -3.27 116.94 109.16 3k1f h PHE 1389Ca 0.00 -0.23 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 3k1f h PHE 1389Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 36.11 3k1f h PHE 1389CO 0.00 1.02 0.00 0.09 -2.00 0.00 0.00 178.31 177.42 3k1f n ASN 1390N -3.76 0.55 -0.23 -0.68 3.02 -1.25 -0.90 115.26 112.00 3k1f n ASN 1390Ca -0.05 -1.13 0.03 0.00 -0.03 0.00 0.00 54.58 53.40 3k1f n ASN 1390Cb 0.76 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 3k1f n ASN 1390CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3k1f n ARG 1391N 0.20 0.32 -1.55 3.52 5.12 -1.23 -4.93 116.66 118.11 3k1f n ARG 1391Ca 0.00 -0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 54.83 3k1f n ARG 1391Cb 0.14 -1.09 0.11 0.00 -1.16 0.00 0.00 32.46 30.45 3k1f n ARG 1391CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k1f s SER 1392N -0.61 4.16 0.31 0.55 1.04 -0.08 -4.98 113.70 114.09 3k1f s SER 1392Ca 0.07 1.19 0.26 0.00 0.48 0.00 0.00 55.95 57.95 3k1f s SER 1392Cb 0.05 -1.87 0.97 0.00 0.10 0.00 0.00 66.02 65.27 3k1f s SER 1392CO 0.09 -2.17 1.77 -0.55 0.98 0.00 0.00 173.24 173.36 3k1f h ASN 1393N -1.23 0.00 -3.13 7.02 -1.07 -1.97 -3.47 115.58 111.73 3k1f h ASN 1393Ca -0.48 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.31 3k1f h ASN 1393Cb 1.29 0.00 0.16 0.00 -2.07 0.00 0.00 38.32 37.70 3k1f h ASN 1393CO 0.60 0.00 -0.12 0.35 0.07 0.00 0.00 177.43 178.34 3k1f n THR 1394N -2.44 2.74 -1.44 6.14 -2.24 -1.26 -4.86 114.28 110.91 3k1f n THR 1394Ca 0.03 -0.50 -0.55 0.00 -2.27 0.00 0.00 64.05 60.76 3k1f n THR 1394Cb 0.31 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 3k1f n THR 1394CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1f n GLY 1395N 1.50 -0.61 0.38 3.38 0.00 -1.26 -4.72 105.19 103.87 3k1f n GLY 1395Ca 0.12 0.65 0.15 0.00 0.00 0.00 0.00 46.02 46.94 3k1f n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f h ALA 1396N 2.48 2.01 -0.17 4.61 0.00 -1.89 -1.90 119.26 124.40 3k1f h ALA 1396Ca -0.45 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3k1f h ALA 1396Cb 1.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3k1f h ALA 1396CO 0.62 -0.28 -0.40 -0.07 0.00 0.00 0.00 179.25 179.12 3k1f h LEU 1397N 0.54 0.40 0.25 0.00 3.38 -1.97 -0.51 115.31 117.39 3k1f h LEU 1397Ca 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3k1f h LEU 1397Cb 0.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3k1f h LEU 1397CO -0.19 0.77 -0.12 -0.03 0.09 0.00 0.00 178.44 178.96 3k1f h MET 1398N 0.32 -0.32 -0.19 1.13 4.05 -1.74 -3.27 114.93 114.91 3k1f h MET 1398Ca 0.03 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3k1f h MET 1398Cb 0.85 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 3k1f h MET 1398CO 0.07 0.05 0.17 0.00 0.23 0.00 0.00 176.91 177.42 3k1f h ARG 1399N -0.87 0.00 0.00 0.39 3.08 -1.31 -1.49 114.38 114.18 3k1f h ARG 1399Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3k1f h ARG 1399Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k1f h ARG 1399CO 0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 3k1f n SER 1401N -2.56 0.00 -3.73 0.00 3.41 -0.56 -4.00 113.62 106.18 3k1f n SER 1401Ca 0.04 -0.78 -0.21 0.00 -0.26 0.00 0.00 58.87 57.66 3k1f n SER 1401Cb 0.41 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.18 3k1f n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3k1f s PHE 1402N -2.00 0.40 0.00 7.33 5.36 -1.23 -4.92 117.98 122.91 3k1f s PHE 1402Ca 0.31 0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 3k1f s PHE 1402Cb 0.14 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 42.18 3k1f s PHE 1402CO 0.24 -0.26 0.00 0.39 -1.46 0.00 0.00 175.22 174.13 3k1f n GLU 1403N 5.13 0.00 -2.38 10.12 1.02 -1.26 -4.49 120.64 128.78 3k1f n GLU 1403Ca -0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 3k1f n GLU 1403Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.93 3k1f n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k1f n GLU 1404N 0.00 4.64 0.00 3.49 1.02 -1.26 -4.91 120.64 123.61 3k1f n GLU 1404Ca 0.00 -3.97 0.00 0.00 -0.02 0.00 0.00 57.16 53.17 3k1f n GLU 1404Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.80 3k1f n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3k1f n THR 1405N 1.47 0.00 -0.32 2.62 -1.04 -1.26 -1.73 114.28 114.01 3k1f n THR 1405Ca 0.49 0.44 0.24 0.00 -2.04 0.00 0.00 64.05 63.17 3k1f n THR 1405Cb 0.28 -1.43 0.47 0.00 -1.82 0.00 0.00 70.33 67.83 3k1f n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3k1f h VAL 1406N 0.00 0.16 0.46 12.58 2.07 -1.90 -0.76 116.25 128.85 3k1f h VAL 1406Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3k1f h VAL 1406Cb 0.00 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3k1f h VAL 1406CO 0.00 0.03 -0.22 -0.33 0.02 0.00 0.00 177.57 177.07 3k1f h GLU 1407N 0.15 -0.59 -0.20 1.57 3.07 -1.97 -0.12 114.58 116.50 3k1f h GLU 1407Ca 0.73 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.58 3k1f h GLU 1407Cb 1.75 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.78 3k1f h GLU 1407CO -0.71 -0.33 -0.11 0.82 -1.40 0.00 0.00 179.01 177.28 3k1f h ILE 1408N -0.74 1.19 -0.16 3.13 2.04 -0.32 -0.97 117.51 121.68 3k1f h ILE 1408Ca -0.06 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 3k1f h ILE 1408Cb 0.53 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3k1f h ILE 1408CO 0.10 0.26 -0.29 -0.07 0.00 0.00 0.00 178.15 178.15 3k1f h LEU 1409N 0.30 0.30 -0.53 1.44 3.38 -1.10 0.21 115.31 119.31 3k1f h LEU 1409Ca 0.06 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3k1f h LEU 1409Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3k1f h LEU 1409CO 0.02 0.59 -0.55 -0.26 0.09 0.00 0.00 178.44 178.33 3k1f h PHE 1410N 0.27 0.66 0.00 1.13 0.05 -0.05 -1.11 116.94 117.88 3k1f h PHE 1410Ca 0.04 -0.23 -0.03 0.00 3.82 0.00 0.00 57.97 61.57 3k1f h PHE 1410Cb 0.66 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 3k1f h PHE 1410CO 0.01 0.96 -0.12 1.49 -0.18 0.00 0.00 178.31 180.47 3k1f h GLU 1411N 0.40 0.00 0.02 1.51 4.57 -0.58 -0.71 114.58 119.79 3k1f h GLU 1411Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3k1f h GLU 1411Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3k1f h GLU 1411CO 0.10 0.12 -0.01 0.00 -1.18 0.00 0.00 179.01 178.04 3k1f h ALA 1412N 1.88 -0.03 0.00 2.92 0.00 -0.23 -0.73 119.26 123.08 3k1f h ALA 1412Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k1f h ALA 1412Cb 0.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k1f h ALA 1412CO 0.02 -0.20 -0.02 0.78 0.00 0.00 0.00 179.25 179.83 3k1f h GLY 1413N -0.67 0.00 0.45 0.00 0.00 -1.14 -0.75 103.07 100.96 3k1f h GLY 1413Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 3k1f h GLY 1413CO 0.01 0.00 -1.43 0.00 0.00 0.00 0.00 176.54 175.11 3k1f h ALA 1414N 1.98 0.22 -0.39 3.60 0.00 -1.14 -3.23 119.26 120.31 3k1f h ALA 1414Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 3k1f h ALA 1414Cb 0.39 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k1f h ALA 1414CO 0.00 0.85 0.00 0.43 0.00 0.00 0.00 179.25 180.54 3k1f n SER 1415N -3.96 3.78 -3.84 0.00 7.64 -0.28 -4.58 113.62 112.38 3k1f n SER 1415Ca -0.27 -2.49 -0.29 0.00 1.01 0.00 0.00 58.87 56.83 3k1f n SER 1415Cb 0.87 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 3k1f n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1f n ALA 1416N 0.48 -1.14 -1.54 -0.43 0.00 -0.67 -4.83 120.51 112.39 3k1f n ALA 1416Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3k1f n ALA 1416Cb 0.78 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3k1f n ALA 1416CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k1f n GLU 1417N -3.63 0.98 -4.78 0.00 1.02 -0.38 -4.40 120.64 109.44 3k1f n GLU 1417Ca 0.07 0.35 -0.33 0.00 -0.02 0.00 0.00 57.16 57.23 3k1f n GLU 1417Cb 0.48 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 3k1f n GLU 1417CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3k1f s LEU 1418N 0.70 2.82 -0.34 -4.62 2.96 -1.26 -0.90 118.68 118.03 3k1f s LEU 1418Ca 0.62 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 3k1f s LEU 1418Cb -0.62 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.49 3k1f s LEU 1418CO 0.58 0.27 0.12 -0.62 -1.32 0.00 0.00 176.35 175.37 3k1f s ASP 1419N -0.26 5.36 0.56 3.68 -1.08 -0.01 -4.70 116.67 120.23 3k1f s ASP 1419Ca 0.02 -1.06 0.27 0.00 -0.52 0.00 0.00 52.55 51.27 3k1f s ASP 1419Cb -0.13 -1.90 1.67 0.00 -1.46 0.00 0.00 42.92 41.10 3k1f s ASP 1419CO 0.03 -0.32 2.20 -2.24 0.52 0.00 0.00 175.17 175.36 3k1f h ASP 1420N 8.26 0.00 -5.89 -0.34 2.03 -1.88 -1.24 116.42 117.35 3k1f h ASP 1420Ca -0.25 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.67 3k1f h ASP 1420Cb 1.09 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.70 3k1f h ASP 1420CO 0.61 0.03 -0.77 0.00 -1.03 0.00 0.00 179.24 178.09 3k1f n ARG 1422N -4.43 3.38 -3.72 0.00 1.74 -1.26 -4.86 116.66 107.51 3k1f n ARG 1422Ca -0.19 -0.29 -0.22 0.00 -0.77 0.00 0.00 57.85 56.38 3k1f n ARG 1422Cb 0.63 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 31.16 3k1f n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3k1f s GLY 1423N -1.21 1.27 0.04 -0.13 0.00 -1.26 -4.74 107.32 101.29 3k1f s GLY 1423Ca 0.04 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.41 3k1f s GLY 1423CO 0.19 -1.08 1.39 -2.08 0.00 0.00 0.00 173.10 171.52 3k1f h VAL 1424N 1.00 0.00 -0.65 1.40 2.07 -1.92 -2.01 116.25 116.14 3k1f h VAL 1424Ca -0.51 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.14 3k1f h VAL 1424Cb 1.22 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 3k1f h VAL 1424CO 0.61 0.00 0.10 0.28 0.02 0.00 0.00 177.57 178.59 3k1f h SER 1425N -0.92 -0.08 0.05 0.57 0.02 -1.95 0.49 113.55 111.73 3k1f h SER 1425Ca -0.09 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3k1f h SER 1425Cb 0.72 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3k1f h SER 1425CO 0.14 -0.05 -0.14 1.05 -1.14 0.00 0.00 176.83 176.69 3k1f h GLU 1426N 0.22 0.19 0.01 3.45 4.11 -1.83 -0.56 114.58 120.18 3k1f h GLU 1426Ca 0.35 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.52 3k1f h GLU 1426Cb 0.57 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3k1f h GLU 1426CO -0.48 0.33 -1.10 -0.91 0.07 0.00 0.00 179.01 176.93 3k1f h ASN 1427N 0.18 0.04 -0.14 3.06 2.35 -0.37 -3.06 115.58 117.65 3k1f h ASN 1427Ca 0.04 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3k1f h ASN 1427Cb 0.36 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3k1f h ASN 1427CO 0.02 1.04 0.05 0.58 -1.65 0.00 0.00 177.43 177.48 3k1f h VAL 1428N 0.01 1.16 -0.83 2.81 2.07 -0.55 -0.76 116.25 120.16 3k1f h VAL 1428Ca -0.05 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3k1f h VAL 1428Cb 1.81 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3k1f h VAL 1428CO 0.13 0.15 0.42 0.40 0.02 0.00 0.00 177.57 178.69 3k1f h ILE 1429N 0.07 1.25 0.00 4.57 2.04 -1.22 -2.12 117.51 122.11 3k1f h ILE 1429Ca 0.05 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3k1f h ILE 1429Cb 0.18 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3k1f h ILE 1429CO -0.00 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.62 3k1f n LEU 1430N -4.35 0.00 -3.32 1.44 4.77 -1.12 -4.95 117.00 109.47 3k1f n LEU 1430Ca 0.08 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 3k1f n LEU 1430Cb 0.12 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3k1f n LEU 1430CO 0.39 -0.06 0.03 0.61 -1.33 0.00 0.00 177.39 177.04 3k1f n GLY 1431N 1.04 -1.00 3.41 -0.72 0.00 -0.35 -5.04 105.19 102.54 3k1f n GLY 1431Ca 0.08 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 3k1f n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1f s GLN 1432N -4.70 1.77 -0.50 1.61 -0.21 -0.84 -5.05 119.66 111.74 3k1f s GLN 1432Ca 0.37 -2.04 -0.29 0.00 0.02 0.00 0.00 55.36 53.42 3k1f s GLN 1432Cb -0.06 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.69 3k1f s GLN 1432CO 0.75 -0.48 1.24 -1.64 -2.12 0.00 0.00 175.29 173.04 3k1f s MET 1433N -3.72 3.59 0.54 2.91 -1.94 -1.26 -4.67 119.30 114.75 3k1f s MET 1433Ca 0.31 0.55 -0.20 0.00 -1.71 0.00 0.00 55.69 54.65 3k1f s MET 1433Cb 0.04 -3.98 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 3k1f s MET 1433CO 0.18 -1.56 1.17 0.00 -0.01 0.00 0.00 175.02 174.79 3k1f s ALA 1434N 4.97 2.70 -1.98 3.03 0.00 -1.26 -4.91 121.76 124.31 3k1f s ALA 1434Ca 0.50 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3k1f s ALA 1434Cb -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3k1f s ALA 1434CO 0.30 -0.89 0.52 -2.30 0.00 0.00 0.00 175.76 173.39 3k1f n PRO 1435N -1.25 0.53 -1.74 0.00 -0.02 -1.26 -4.08 135.00 127.18 3k1f n PRO 1435Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 3k1f n PRO 1435Cb 0.50 -1.01 0.03 0.00 -0.02 0.00 0.00 33.50 33.00 3k1f n PRO 1435CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3k1f s ILE 1436N -1.98 4.40 0.00 4.25 -5.25 -1.26 -2.70 121.20 118.66 3k1f s ILE 1436Ca 0.00 0.78 0.00 0.00 -0.99 0.00 0.00 60.65 60.44 3k1f s ILE 1436Cb 0.00 -3.65 0.00 0.00 2.95 0.00 0.00 42.46 41.76 3k1f s ILE 1436CO 0.00 -1.02 0.00 0.61 -1.79 0.00 0.00 174.94 172.74 3k1f n GLY 1437N -2.40 1.08 0.40 6.27 0.00 -0.94 -0.66 105.19 108.95 3k1f n GLY 1437Ca 0.07 0.24 0.27 0.00 0.00 0.00 0.00 46.02 46.59 3k1f n GLY 1437CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k1f h THR 1438N 0.00 0.33 -0.21 2.61 2.02 -1.90 -1.58 112.91 114.19 3k1f h THR 1438Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3k1f h THR 1438Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3k1f h THR 1438CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 3k1f n GLY 1439N -1.42 0.01 0.19 2.16 0.00 0.16 -4.34 105.19 101.95 3k1f n GLY 1439Ca 0.31 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3k1f n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f h ALA 1440N 3.47 0.32 -5.16 4.61 0.00 -1.07 -3.39 119.26 118.05 3k1f h ALA 1440Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 3k1f h ALA 1440Cb 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.07 3k1f h ALA 1440CO 0.00 0.43 0.01 1.97 0.00 0.00 0.00 179.25 181.66 3k1f n PHE 1441N -4.23 -2.84 -4.25 0.00 1.16 -1.26 -5.04 117.46 101.00 3k1f n PHE 1441Ca -0.06 -1.14 -0.14 0.00 -1.87 0.00 0.00 57.45 54.24 3k1f n PHE 1441Cb 0.54 -0.37 -0.10 0.00 -1.61 0.00 0.00 39.48 37.94 3k1f n PHE 1441CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3k1f s ASP 1442N -3.25 1.50 -0.02 5.98 1.11 -1.26 -5.10 116.67 115.63 3k1f s ASP 1442Ca 0.37 -1.10 0.06 0.00 0.18 0.00 0.00 52.55 52.06 3k1f s ASP 1442Cb -0.03 0.05 -0.01 0.00 1.07 0.00 0.00 42.92 44.00 3k1f s ASP 1442CO 0.24 -0.46 -0.19 -0.69 1.18 0.00 0.00 175.17 175.24 3k1f s VAL 1443N -3.50 1.54 0.01 -1.27 1.01 -1.26 -5.14 120.40 111.79 3k1f s VAL 1443Ca 0.20 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3k1f s VAL 1443Cb 0.05 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3k1f s VAL 1443CO 0.02 0.44 0.04 -0.04 0.00 0.00 0.00 175.10 175.56 3k1f s MET 1444N -0.40 0.34 0.07 2.72 -1.94 -1.26 -5.17 119.30 113.66 3k1f s MET 1444Ca 0.06 -0.46 -0.08 0.00 -1.71 0.00 0.00 55.69 53.50 3k1f s MET 1444Cb -0.08 0.13 -0.05 0.00 2.01 0.00 0.00 34.83 36.84 3k1f s MET 1444CO -0.00 -0.07 0.36 0.42 -0.01 0.00 0.00 175.02 175.72 3k1f s ILE 1445N -1.26 5.16 -0.26 2.53 1.01 -1.26 -5.08 121.20 122.05 3k1f s ILE 1445Ca -0.14 0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 3k1f s ILE 1445Cb -0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3k1f s ILE 1445CO -0.00 0.28 0.14 -0.62 0.00 0.00 0.00 174.94 174.73 3k1f s ASP 1446N -1.84 5.65 0.25 3.58 3.68 -1.26 -5.00 116.67 121.73 3k1f s ASP 1446Ca 0.33 -0.08 -0.05 0.00 2.13 0.00 0.00 52.55 54.87 3k1f s ASP 1446Cb -0.13 -2.03 0.33 0.00 -1.45 0.00 0.00 42.92 39.64 3k1f s ASP 1446CO 0.18 -0.03 1.88 -0.08 0.13 0.00 0.00 175.17 177.25 3k1f h GLU 1447N 8.22 1.07 0.83 4.34 4.22 -1.99 -1.97 114.58 129.31 3k1f h GLU 1447Ca -0.37 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 58.97 3k1f h GLU 1447Cb 1.18 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.20 3k1f h GLU 1447CO 0.57 0.71 -0.40 0.93 -2.18 0.00 0.00 179.01 178.64 3k1f h GLU 1448N 1.11 -1.08 -0.53 1.92 4.39 -2.01 -3.10 114.58 115.28 3k1f h GLU 1448Ca 0.39 0.07 0.10 0.00 0.34 0.00 0.00 59.36 60.26 3k1f h GLU 1448Cb 0.10 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3k1f h GLU 1448CO -0.15 -0.72 0.36 0.66 -1.16 0.00 0.00 179.01 178.00 3k1f h SER 1449N -1.12 0.27 -0.18 1.42 4.64 -1.98 -1.42 113.55 115.18 3k1f h SER 1449Ca -0.11 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3k1f h SER 1449Cb 0.86 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3k1f h SER 1449CO 0.19 0.16 0.06 0.25 -0.87 0.00 0.00 176.83 176.62 3k1f h LEU 1450N 0.30 0.32 0.00 5.97 5.85 -1.30 -2.16 115.31 124.29 3k1f h LEU 1450Ca 0.24 -0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.65 3k1f h LEU 1450Cb 0.57 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3k1f h LEU 1450CO -0.05 0.32 -1.69 0.52 -0.34 0.00 0.00 178.44 177.20 3k1f n VAL 1451N -4.40 1.55 0.02 1.05 0.31 -0.58 -4.19 118.33 112.09 3k1f n VAL 1451Ca 0.01 -0.79 -0.12 0.00 -0.01 0.00 0.00 64.34 63.43 3k1f n VAL 1451Cb 0.15 -0.99 -0.07 0.00 -0.91 0.00 0.00 33.84 32.03 3k1f n VAL 1451CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k1f h LYS 1452N 0.00 0.05 -5.64 5.55 1.57 -1.20 -3.39 116.57 113.51 3k1f h LYS 1452Ca -0.28 -0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.89 3k1f h LYS 1452Cb 1.97 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 34.17 3k1f h LYS 1452CO 0.07 0.08 0.29 0.71 -0.57 0.00 0.00 179.45 180.03 3k1f s TYR 1453N -6.01 3.26 0.00 -1.35 4.12 -0.83 -4.95 117.35 111.59 3k1f s TYR 1453Ca -0.13 0.87 0.00 0.00 0.02 0.00 0.00 57.07 57.83 3k1f s TYR 1453Cb 0.06 -2.99 0.00 0.00 -1.52 0.00 0.00 41.96 37.51 3k1f s TYR 1453CO 0.67 -0.41 0.00 0.00 0.02 0.00 0.00 175.55 175.82 3k1f n MET 1454N 5.92 0.00 0.00 -0.62 0.00 -1.26 -4.82 117.12 116.33 3k1f n MET 1454Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 57.70 57.87 3k1f n MET 1454Cb 0.48 0.00 0.90 0.00 0.00 0.00 0.00 33.22 34.61 3k1f n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62