#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2f s TRP 5 N 0.00 2.02 0.00 1.57 1.48 -1.26 -4.86 118.94 117.89 3k2f s TRP 5 Ca 0.00 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.58 3k2f s TRP 5 Cb 0.00 -3.61 0.00 0.00 -1.16 0.00 0.00 33.47 28.70 3k2f s TRP 5 CO 0.00 -2.84 0.00 0.41 -4.06 0.00 0.00 176.95 170.46 3k2f n GLY 6 N 0.72 2.82 0.00 3.67 0.00 -0.18 -5.01 105.19 107.20 3k2f n GLY 6 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3k2f n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k2f n TYR 7 N 0.00 0.00 -2.41 1.61 4.02 -1.26 -3.75 117.16 115.37 3k2f n TYR 7 Ca 0.00 -0.22 -0.25 0.00 -0.01 0.00 0.00 57.90 57.43 3k2f n TYR 7 Cb 0.00 -0.02 0.11 0.00 -0.02 0.00 0.00 39.34 39.41 3k2f n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3k2f s GLY 8 N -0.43 1.76 0.41 2.72 0.00 -1.26 -4.70 107.32 105.82 3k2f s GLY 8 Ca 0.00 -1.46 0.22 0.00 0.00 0.00 0.00 44.72 43.48 3k2f s GLY 8 CO 0.00 -0.91 1.74 0.50 0.00 0.00 0.00 173.10 174.43 3k2f h LYS 9 N -0.67 0.30 0.00 2.90 1.79 -1.97 0.70 116.57 119.61 3k2f h LYS 9 Ca -0.40 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3k2f h LYS 9 Cb 1.27 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3k2f h LYS 9 CO 0.45 0.20 -1.06 0.72 -1.08 0.00 0.00 179.45 178.67 3k2f n HIS 10 N -4.61 0.03 -0.89 -1.35 8.25 -1.26 -4.37 115.22 111.02 3k2f n HIS 10 Ca 0.28 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 3k2f n HIS 10 Cb 1.01 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3k2f n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3k2f n ASN 11 N -1.65 0.20 -3.39 0.41 6.94 -1.13 -4.96 115.26 111.68 3k2f n ASN 11 Ca 0.03 -1.09 -0.23 0.00 -0.02 0.00 0.00 54.58 53.27 3k2f n ASN 11 Cb 0.37 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 37.97 3k2f n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k2f n GLY 12 N -0.05 -2.21 0.51 4.83 0.00 0.22 -1.01 105.19 107.49 3k2f n GLY 12 Ca 0.00 -1.57 0.33 0.00 0.00 0.00 0.00 46.02 44.79 3k2f n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k2f h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.85 0.32 132.00 132.19 3k2f h PRO 13 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3k2f h PRO 13 Cb 0.96 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3k2f h PRO 13 CO 0.22 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.40 3k2f n GLU 14 N -4.21 0.16 -0.01 1.05 4.71 -1.26 -3.37 120.64 117.71 3k2f n GLU 14 Ca 0.24 0.33 0.11 0.00 -0.01 0.00 0.00 57.16 57.83 3k2f n GLU 14 Cb 1.17 -1.77 -0.17 0.00 -1.01 0.00 0.00 31.44 29.66 3k2f n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3k2f n HIS 15 N -2.05 0.02 0.27 -0.32 8.25 0.11 -4.66 115.22 116.84 3k2f n HIS 15 Ca 0.03 0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3k2f n HIS 15 Cb 0.25 -0.50 0.76 0.00 1.12 0.00 0.00 29.99 31.62 3k2f n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3k2f h TRP 16 N 0.00 0.00 0.00 4.41 6.55 -1.54 -2.60 115.95 122.77 3k2f h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3k2f h TRP 16 Cb 0.99 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.29 3k2f h TRP 16 CO 0.00 0.05 -0.04 1.12 -1.05 0.00 0.00 178.44 178.52 3k2f h HIS 17 N 0.00 0.00 -0.71 0.49 2.07 -1.81 -0.87 115.15 114.32 3k2f h HIS 17 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3k2f h HIS 17 Cb 0.12 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.07 3k2f h HIS 17 CO 0.00 0.04 0.33 0.87 -3.07 0.00 0.00 177.93 176.11 3k2f h LYS 18 N 0.00 1.03 0.00 5.12 1.57 -1.82 -1.53 116.57 120.93 3k2f h LYS 18 Ca -0.00 -0.16 -0.24 0.00 -1.87 0.00 0.00 60.65 58.38 3k2f h LYS 18 Cb 0.08 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3k2f h LYS 18 CO 0.01 0.82 -1.48 -0.44 -0.57 0.00 0.00 179.45 177.78 3k2f h ASP 19 N 1.00 0.00 -2.80 0.86 3.32 -1.68 -3.42 116.42 113.69 3k2f h ASP 19 Ca 0.24 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.69 3k2f h ASP 19 Cb 0.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.29 3k2f h ASP 19 CO -0.03 0.87 -0.78 -0.36 -1.72 0.00 0.00 179.24 177.22 3k2f s PHE 20 N -2.71 2.22 0.52 4.55 0.08 -0.36 -4.98 117.98 117.30 3k2f s PHE 20 Ca -0.03 -2.75 0.40 0.00 0.12 0.00 0.00 56.93 54.67 3k2f s PHE 20 Cb 0.08 -1.77 1.58 0.00 -0.57 0.00 0.00 43.02 42.34 3k2f s PHE 20 CO 0.82 -0.71 1.68 -1.35 -0.10 0.00 0.00 175.22 175.56 3k2f h PRO 21 N 5.68 0.04 0.00 0.24 0.11 -1.53 0.25 132.00 136.79 3k2f h PRO 21 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3k2f h PRO 21 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3k2f h PRO 21 CO 0.53 0.03 0.08 0.97 -0.21 0.00 0.00 178.00 179.40 3k2f h ILE 22 N 0.04 0.00 -0.92 4.15 6.09 -1.91 -2.80 117.51 122.17 3k2f h ILE 22 Ca 0.76 0.00 0.27 0.00 -1.37 0.00 0.00 64.86 64.52 3k2f h ILE 22 Cb 2.87 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 40.71 3k2f h ILE 22 CO -0.10 0.00 0.72 0.00 -3.07 0.00 0.00 178.15 175.70 3k2f h ALA 23 N 1.80 2.82 -0.37 0.18 0.00 -1.25 0.18 119.26 122.62 3k2f h ALA 23 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3k2f h ALA 23 Cb 0.16 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3k2f h ALA 23 CO 0.00 -1.19 0.00 1.63 0.00 0.00 0.00 179.25 179.69 3k2f n LYS 24 N -4.06 2.20 -0.68 0.00 5.02 -1.05 -4.94 118.16 114.65 3k2f n LYS 24 Ca 0.19 -3.07 -0.12 0.00 -2.02 0.00 0.00 58.31 53.29 3k2f n LYS 24 Cb 1.04 -1.85 0.09 0.00 -0.02 0.00 0.00 35.03 34.28 3k2f n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k2f n GLY 25 N -0.94 -1.63 0.01 0.72 0.00 0.64 -5.00 105.19 98.99 3k2f n GLY 25 Ca 0.32 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.83 3k2f n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k2f n GLU 26 N -2.33 0.03 -3.03 1.61 -0.58 -1.26 -4.34 120.64 110.74 3k2f n GLU 26 Ca 0.07 0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.63 3k2f n GLU 26 Cb 0.23 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 3k2f n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3k2f n ARG 27 N -1.57 1.44 -3.08 3.49 1.85 -1.26 -4.87 116.66 112.66 3k2f n ARG 27 Ca 0.05 -3.62 -0.35 0.00 -1.00 0.00 0.00 57.85 52.93 3k2f n ARG 27 Cb 0.35 -1.73 -0.06 0.00 -1.05 0.00 0.00 32.46 29.97 3k2f n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3k2f s GLN 28 N -2.75 4.18 0.22 2.89 -1.52 -1.26 -2.53 119.66 118.88 3k2f s GLN 28 Ca 0.39 0.83 0.11 0.00 -1.95 0.00 0.00 55.36 54.75 3k2f s GLN 28 Cb 0.36 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.42 3k2f s GLN 28 CO -0.07 0.28 -0.22 -1.12 -0.25 0.00 0.00 175.29 173.91 3k2f s SER 29 N -1.90 3.41 0.97 5.90 0.01 -1.26 -4.63 113.70 116.21 3k2f s SER 29 Ca 0.48 -0.92 -0.15 0.00 1.31 0.00 0.00 55.95 56.67 3k2f s SER 29 Cb -0.14 -0.26 0.22 0.00 0.21 0.00 0.00 66.02 66.05 3k2f s SER 29 CO 0.19 0.08 1.32 -0.81 0.41 0.00 0.00 173.24 174.43 3k2f n PRO 30 N -0.02 -1.18 -4.35 12.44 -0.04 -1.26 -4.55 135.00 136.04 3k2f n PRO 30 Ca -0.10 -2.18 -0.18 0.00 -0.04 0.00 0.00 63.50 61.00 3k2f n PRO 30 Cb 0.57 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 3k2f n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3k2f s VAL 31 N -3.87 0.97 0.07 0.52 -7.23 -1.26 -0.08 120.40 109.52 3k2f s VAL 31 Ca 0.76 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.66 3k2f s VAL 31 Cb -0.02 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 3k2f s VAL 31 CO 0.53 -0.21 0.77 -0.62 -0.31 0.00 0.00 175.10 175.25 3k2f s ASP 32 N -3.34 7.25 -0.61 4.85 3.68 -1.26 -3.00 116.67 124.24 3k2f s ASP 32 Ca 0.31 1.49 -0.18 0.00 2.13 0.00 0.00 52.55 56.30 3k2f s ASP 32 Cb 0.07 -2.48 0.11 0.00 -1.45 0.00 0.00 42.92 39.17 3k2f s ASP 32 CO 0.11 0.05 0.70 -0.63 0.13 0.00 0.00 175.17 175.53 3k2f s ILE 33 N -0.26 4.90 -0.67 4.11 1.01 0.12 -4.95 121.20 125.46 3k2f s ILE 33 Ca 0.38 -1.15 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 3k2f s ILE 33 Cb -0.21 -4.48 0.01 0.00 0.01 0.00 0.00 42.46 37.79 3k2f s ILE 33 CO 0.24 -1.11 1.45 -0.62 0.00 0.00 0.00 174.94 174.90 3k2f s ASP 34 N 3.56 5.94 0.55 3.58 3.68 -1.26 -0.55 116.67 132.17 3k2f s ASP 34 Ca 0.11 -0.09 0.30 0.00 2.13 0.00 0.00 52.55 55.00 3k2f s ASP 34 Cb -0.24 -2.55 1.58 0.00 -1.45 0.00 0.00 42.92 40.27 3k2f s ASP 34 CO 0.04 -1.94 2.11 0.71 0.13 0.00 0.00 175.17 176.23 3k2f h THR 35 N 6.31 0.45 0.00 1.71 1.35 -1.95 -0.96 112.91 119.82 3k2f h THR 35 Ca -0.27 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 3k2f h THR 35 Cb 1.09 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3k2f h THR 35 CO 1.24 0.08 -0.21 0.45 -0.25 0.00 0.00 175.52 176.84 3k2f h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.29 115.15 118.42 3k2f h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k2f h HIS 36 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3k2f h HIS 36 CO 0.00 0.06 -1.56 2.41 0.86 0.00 0.00 177.93 179.71 3k2f n THR 37 N -3.05 0.05 -2.29 2.45 -1.04 -0.42 -4.93 114.28 105.04 3k2f n THR 37 Ca 0.03 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 3k2f n THR 37 Cb 0.56 0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 69.32 3k2f n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k2f s ALA 38 N -3.33 3.49 -0.08 2.41 0.00 -0.86 -4.88 121.76 118.52 3k2f s ALA 38 Ca -0.02 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 3k2f s ALA 38 Cb 0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3k2f s ALA 38 CO 0.88 -0.52 0.35 0.21 0.00 0.00 0.00 175.76 176.68 3k2f s LYS 39 N 1.03 4.02 0.27 0.00 2.20 -1.01 -4.73 119.74 121.52 3k2f s LYS 39 Ca 0.61 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 3k2f s LYS 39 Cb -0.33 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.57 3k2f s LYS 39 CO 0.30 0.50 1.58 -0.47 -0.36 0.00 0.00 175.35 176.90 3k2f s TYR 40 N -0.39 2.82 -0.29 4.03 6.14 -1.26 -0.38 117.35 128.02 3k2f s TYR 40 Ca 0.21 0.78 0.02 0.00 0.64 0.00 0.00 57.07 58.72 3k2f s TYR 40 Cb -0.15 -4.03 0.08 0.00 0.42 0.00 0.00 41.96 38.28 3k2f s TYR 40 CO 0.09 -3.50 -0.01 0.34 0.64 0.00 0.00 175.55 173.11 3k2f s ASP 41 N 0.55 4.29 0.50 4.32 3.68 -0.51 -4.85 116.67 124.65 3k2f s ASP 41 Ca 0.64 -1.61 0.25 0.00 2.13 0.00 0.00 52.55 53.96 3k2f s ASP 41 Cb -0.47 -1.34 1.35 0.00 -1.45 0.00 0.00 42.92 41.01 3k2f s ASP 41 CO 0.45 -0.30 2.05 -0.65 0.13 0.00 0.00 175.17 176.85 3k2f h PRO 42 N 7.83 0.00 0.00 4.34 0.11 -1.94 -2.63 132.00 139.71 3k2f h PRO 42 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3k2f h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k2f h PRO 42 CO 0.46 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3k2f n SER 43 N -3.75 0.00 -4.68 -2.05 3.41 -1.26 -4.76 113.62 100.52 3k2f n SER 43 Ca -0.02 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 3k2f n SER 43 Cb 0.25 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 3k2f n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k2f s LEU 44 N -1.17 4.21 0.73 1.04 1.02 -0.99 -4.98 118.68 118.53 3k2f s LEU 44 Ca 0.08 1.28 -0.11 0.00 0.02 0.00 0.00 54.13 55.40 3k2f s LEU 44 Cb 0.04 -3.31 0.03 0.00 0.02 0.00 0.00 46.19 42.96 3k2f s LEU 44 CO 0.06 -0.38 1.07 -0.54 0.02 0.00 0.00 176.35 176.58 3k2f s LYS 45 N 1.97 2.68 0.51 1.70 3.01 -1.18 -4.90 119.74 123.53 3k2f s LYS 45 Ca 0.41 0.76 -0.22 0.00 -1.01 0.00 0.00 55.97 55.92 3k2f s LYS 45 Cb -0.17 -1.98 -0.06 0.00 -1.01 0.00 0.00 37.83 34.61 3k2f s LYS 45 CO 0.15 -1.23 1.25 -2.14 0.51 0.00 0.00 175.35 173.88 3k2f s PRO 46 N -5.13 3.40 0.19 -1.68 0.02 -1.26 -1.81 135.00 128.72 3k2f s PRO 46 Ca 0.59 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 3k2f s PRO 46 Cb -0.14 -2.28 -0.08 0.00 0.02 0.00 0.00 34.50 32.02 3k2f s PRO 46 CO 0.54 -0.90 1.08 -1.17 -0.33 0.00 0.00 177.00 176.23 3k2f s LEU 47 N -3.37 4.50 -0.26 -5.54 0.20 -1.26 -2.30 118.68 110.66 3k2f s LEU 47 Ca 0.69 2.08 0.02 0.00 0.69 0.00 0.00 54.13 57.61 3k2f s LEU 47 Cb -0.34 -3.61 0.06 0.00 -0.43 0.00 0.00 46.19 41.88 3k2f s LEU 47 CO 0.40 -0.18 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.64 3k2f s SER 48 N -0.23 4.28 -0.48 3.68 0.15 -0.24 -4.90 113.70 115.96 3k2f s SER 48 Ca 0.48 -1.38 -0.08 0.00 0.70 0.00 0.00 55.95 55.67 3k2f s SER 48 Cb -0.29 -1.43 0.12 0.00 -1.71 0.00 0.00 66.02 62.71 3k2f s SER 48 CO 0.35 -0.22 0.34 -0.69 1.20 0.00 0.00 173.24 174.22 3k2f s VAL 49 N 1.18 4.07 -0.67 4.45 1.01 -1.26 -1.44 120.40 127.74 3k2f s VAL 49 Ca -0.07 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 59.87 3k2f s VAL 49 Cb -0.20 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 32.66 3k2f s VAL 49 CO -0.06 -0.78 0.59 -0.44 0.00 0.00 0.00 175.10 174.41 3k2f s SER 50 N 2.41 6.24 -0.05 3.32 0.01 -0.62 -4.90 113.70 120.10 3k2f s SER 50 Ca 0.07 -2.36 0.13 0.00 1.31 0.00 0.00 55.95 55.11 3k2f s SER 50 Cb -0.25 -2.13 0.40 0.00 0.21 0.00 0.00 66.02 64.25 3k2f s SER 50 CO -0.02 -0.64 1.33 -1.22 0.41 0.00 0.00 173.24 173.10 3k2f n TYR 51 N 4.39 0.66 -0.25 2.43 0.53 -1.26 -2.05 117.16 121.61 3k2f n TYR 51 Ca 0.02 -0.61 -0.04 0.00 -1.02 0.00 0.00 57.90 56.26 3k2f n TYR 51 Cb 0.43 -0.11 0.13 0.00 -1.03 0.00 0.00 39.34 38.75 3k2f n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3k2f h ASP 52 N 2.14 0.99 -0.61 7.72 2.03 -1.91 -2.90 116.42 123.88 3k2f h ASP 52 Ca 0.00 -0.13 -0.12 0.00 -0.73 0.00 0.00 57.03 56.05 3k2f h ASP 52 Cb 0.97 -0.25 -0.07 0.00 -0.83 0.00 0.00 39.33 39.14 3k2f h ASP 52 CO 0.07 0.86 0.13 1.67 -1.03 0.00 0.00 179.24 180.94 3k2f n GLN 53 N -4.30 3.95 -2.21 4.15 -0.06 -1.26 -4.99 117.38 112.65 3k2f n GLN 53 Ca 0.07 -3.10 -0.42 0.00 -2.00 0.00 0.00 57.00 51.55 3k2f n GLN 53 Cb 0.16 -2.17 -0.03 0.00 -4.06 0.00 0.00 30.24 24.14 3k2f n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3k2f s ALA 54 N -2.92 3.56 -0.38 1.69 0.00 -1.10 -4.59 121.76 118.02 3k2f s ALA 54 Ca 0.53 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3k2f s ALA 54 Cb 0.42 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 20.13 3k2f s ALA 54 CO 0.13 -0.58 0.12 0.99 0.00 0.00 0.00 175.76 176.42 3k2f s THR 55 N 1.01 2.58 0.55 0.00 2.01 -1.26 -4.90 115.64 115.64 3k2f s THR 55 Ca 0.63 -2.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.05 3k2f s THR 55 Cb -0.36 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 3k2f s THR 55 CO 0.31 -0.65 1.11 -0.94 -0.69 0.00 0.00 174.62 173.76 3k2f s SER 56 N 1.00 5.76 -0.12 3.53 1.04 -1.26 -0.47 113.70 123.19 3k2f s SER 56 Ca 0.11 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 3k2f s SER 56 Cb -0.21 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.29 3k2f s SER 56 CO -0.06 -1.19 -0.19 0.18 0.98 0.00 0.00 173.24 172.96 3k2f n LEU 57 N -1.43 1.19 -3.47 2.42 4.77 0.57 -4.04 117.00 117.02 3k2f n LEU 57 Ca 0.11 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3k2f n LEU 57 Cb 0.51 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3k2f n LEU 57 CO 0.43 0.05 0.47 0.00 -1.33 0.00 0.00 177.39 177.01 3k2f s ARG 58 N -2.33 1.12 -0.10 3.23 1.04 -1.18 -1.57 118.95 119.17 3k2f s ARG 58 Ca -0.19 -0.21 -0.03 0.00 -1.04 0.00 0.00 55.73 54.27 3k2f s ARG 58 Cb 0.06 0.52 -0.03 0.00 -2.04 0.00 0.00 34.95 33.46 3k2f s ARG 58 CO 0.25 -0.45 0.01 -1.50 -0.04 0.00 0.00 175.30 173.57 3k2f s ILE 59 N -2.81 4.42 -0.04 4.99 2.07 -0.07 -0.88 121.20 128.88 3k2f s ILE 59 Ca -0.02 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 3k2f s ILE 59 Cb -0.01 -2.87 0.03 0.00 0.13 0.00 0.00 42.46 39.74 3k2f s ILE 59 CO -0.05 0.59 -0.00 -0.22 -1.91 0.00 0.00 174.94 173.35 3k2f s LEU 60 N -0.78 1.08 -0.32 8.50 2.96 0.61 -1.02 118.68 129.71 3k2f s LEU 60 Ca 0.12 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.76 3k2f s LEU 60 Cb -0.12 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.31 3k2f s LEU 60 CO 0.02 -0.11 0.80 0.21 -1.32 0.00 0.00 176.35 175.95 3k2f s ASN 61 N 1.16 6.65 -0.20 3.68 3.84 -0.38 0.04 114.94 129.73 3k2f s ASN 61 Ca -0.08 0.62 0.16 0.00 0.21 0.00 0.00 52.86 53.77 3k2f s ASN 61 Cb -0.13 -2.41 0.64 0.00 -0.55 0.00 0.00 41.25 38.79 3k2f s ASN 61 CO -0.02 -0.64 1.54 -0.46 -2.79 0.00 0.00 177.10 174.73 3k2f n ASN 62 N 6.26 4.55 0.00 -4.21 6.94 -0.98 -0.69 115.26 127.14 3k2f n ASN 62 Ca 0.04 -2.97 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 3k2f n ASN 62 Cb 0.48 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 3k2f n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k2f n GLY 63 N -0.07 0.89 0.82 4.83 0.00 -1.26 -4.76 105.19 105.64 3k2f n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3k2f n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2f n HIS 64 N -2.00 0.00 -3.41 1.61 8.25 -1.26 -4.69 115.22 113.72 3k2f n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3k2f n HIS 64 Cb 0.00 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3k2f n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k2f n ALA 65 N -2.73 0.00 -2.69 -1.41 0.00 -1.26 -4.88 120.51 107.54 3k2f n ALA 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3k2f n ALA 65 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 3k2f n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3k2f s PHE 66 N -4.32 2.83 -0.19 0.00 -0.12 -1.26 -2.31 117.98 112.61 3k2f s PHE 66 Ca 0.00 -0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 56.62 3k2f s PHE 66 Cb 0.00 -1.73 -0.02 0.00 -0.63 0.00 0.00 43.02 40.64 3k2f s PHE 66 CO 0.00 0.12 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.44 3k2f s ASN 67 N -0.40 4.42 -0.29 1.98 0.02 0.11 -4.16 114.94 116.61 3k2f s ASN 67 Ca 0.05 -0.30 -0.19 0.00 -1.02 0.00 0.00 52.86 51.40 3k2f s ASN 67 Cb -0.12 -1.74 -0.02 0.00 0.02 0.00 0.00 41.25 39.39 3k2f s ASN 67 CO 0.02 0.06 0.56 -0.69 0.02 0.00 0.00 177.10 177.07 3k2f s VAL 68 N 1.00 5.01 -0.03 1.60 1.01 -0.32 -0.28 120.40 128.40 3k2f s VAL 68 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 3k2f s VAL 68 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3k2f s VAL 68 CO 0.00 -0.04 0.08 -1.61 0.00 0.00 0.00 175.10 173.54 3k2f s GLU 69 N 2.44 3.12 0.17 2.72 2.02 -0.06 -1.33 118.70 127.78 3k2f s GLU 69 Ca 0.22 -0.42 0.11 0.00 0.02 0.00 0.00 54.97 54.90 3k2f s GLU 69 Cb -0.15 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 3k2f s GLU 69 CO 0.11 0.67 -0.23 -0.06 0.02 0.00 0.00 175.26 175.77 3k2f s PHE 70 N -1.15 2.36 -0.32 1.61 0.40 -0.37 -0.31 117.98 120.20 3k2f s PHE 70 Ca 0.21 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 3k2f s PHE 70 Cb -0.12 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.21 3k2f s PHE 70 CO 0.12 0.46 1.48 0.34 0.70 0.00 0.00 175.22 178.31 3k2f s ASP 71 N -2.52 6.39 -0.11 1.36 -1.08 0.39 -4.83 116.67 116.26 3k2f s ASP 71 Ca 0.20 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.55 3k2f s ASP 71 Cb -0.09 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 3k2f s ASP 71 CO 0.10 -1.33 1.26 -0.90 0.52 0.00 0.00 175.17 174.82 3k2f n ASP 72 N 8.57 3.02 0.26 -0.34 3.85 -1.26 -4.65 116.55 126.00 3k2f n ASP 72 Ca 0.17 -2.70 0.17 0.00 -0.71 0.00 0.00 54.79 51.73 3k2f n ASP 72 Cb 0.47 -0.38 0.80 0.00 -1.35 0.00 0.00 41.12 40.66 3k2f n ASP 72 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3k2f h SER 73 N 1.10 0.00 -4.21 -1.12 4.64 -1.96 -3.44 113.55 108.55 3k2f h SER 73 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3k2f h SER 73 Cb 1.06 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.99 3k2f h SER 73 CO 0.09 0.00 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.23 3k2f s GLN 74 N -3.74 0.96 -0.72 4.77 -0.21 -1.26 -5.10 119.66 114.35 3k2f s GLN 74 Ca -0.01 -1.35 -0.27 0.00 0.02 0.00 0.00 55.36 53.75 3k2f s GLN 74 Cb 0.10 -0.51 0.02 0.00 1.00 0.00 0.00 33.01 33.61 3k2f s GLN 74 CO 0.44 0.06 1.46 -0.51 -2.12 0.00 0.00 175.29 174.62 3k2f s ASP 75 N -2.96 5.91 0.05 5.90 1.11 -1.26 -4.67 116.67 120.74 3k2f s ASP 75 Ca 0.13 -0.27 0.00 0.00 0.18 0.00 0.00 52.55 52.59 3k2f s ASP 75 Cb 0.02 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3k2f s ASP 75 CO -0.01 -1.99 0.00 0.29 1.18 0.00 0.00 175.17 174.64 3k2f n LYS 76 N 9.30 0.00 -3.89 8.23 5.02 -1.26 -5.00 118.16 130.56 3k2f n LYS 76 Ca 0.10 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 3k2f n LYS 76 Cb 0.50 -0.21 -0.14 0.00 -0.02 0.00 0.00 35.03 35.16 3k2f n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k2f s ALA 77 N -2.00 2.83 0.05 7.82 0.00 -1.26 -4.19 121.76 125.01 3k2f s ALA 77 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.40 3k2f s ALA 77 Cb 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 3k2f s ALA 77 CO 0.00 -1.06 -0.12 0.14 0.00 0.00 0.00 175.76 174.73 3k2f s VAL 78 N 1.33 0.91 -0.15 0.00 -7.23 -0.87 -0.96 120.40 113.43 3k2f s VAL 78 Ca -0.02 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 3k2f s VAL 78 Cb -0.18 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 3k2f s VAL 78 CO -0.01 -0.18 0.02 -0.22 -0.31 0.00 0.00 175.10 174.39 3k2f s LEU 79 N -1.42 3.58 0.33 1.32 0.20 -0.05 -1.59 118.68 121.04 3k2f s LEU 79 Ca -0.03 0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.83 3k2f s LEU 79 Cb -0.09 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 3k2f s LEU 79 CO 0.01 0.22 0.38 -1.59 -0.29 0.00 0.00 176.35 175.09 3k2f s LYS 80 N 0.05 1.80 1.84 1.98 -2.85 -0.52 -2.07 119.74 119.97 3k2f s LYS 80 Ca 0.03 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.18 3k2f s LYS 80 Cb -0.13 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3k2f s LYS 80 CO 0.02 -0.71 0.00 0.41 0.10 0.00 0.00 175.35 175.17 3k2f n GLY 81 N -0.56 -1.25 7.00 0.59 0.00 -1.26 -1.08 105.19 108.63 3k2f n GLY 81 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3k2f n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2f n GLY 82 N 0.00 3.36 0.00 -0.02 0.00 -0.75 -1.36 105.19 106.42 3k2f n GLY 82 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.98 3k2f n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k2f n PRO 83 N 14.00 0.72 -3.27 1.61 -0.04 -1.26 -3.09 135.00 143.68 3k2f n PRO 83 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 3k2f n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3k2f n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k2f s LEU 84 N -2.25 4.42 -0.29 1.53 1.43 -0.46 -5.06 118.68 117.99 3k2f s LEU 84 Ca 0.38 1.23 -0.09 0.00 -1.03 0.00 0.00 54.13 54.62 3k2f s LEU 84 Cb 0.21 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3k2f s LEU 84 CO 0.40 0.16 0.14 -1.81 0.23 0.00 0.00 176.35 175.46 3k2f s ASP 85 N -1.46 5.54 0.13 2.29 -0.00 -1.26 -4.16 116.67 117.74 3k2f s ASP 85 Ca 0.35 -0.33 0.00 0.00 -0.00 0.00 0.00 52.55 52.58 3k2f s ASP 85 Cb -0.17 -2.01 0.00 0.00 -0.00 0.00 0.00 42.92 40.74 3k2f s ASP 85 CO 0.20 -0.12 0.00 0.61 -0.00 0.00 0.00 175.17 175.86 3k2f n GLY 86 N 4.99 -0.90 3.46 0.21 0.00 -1.26 -4.93 105.19 106.75 3k2f n GLY 86 Ca -0.14 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 3k2f n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k2f s THR 87 N 0.00 3.53 -0.14 2.61 2.01 -1.26 -4.53 115.64 117.86 3k2f s THR 87 Ca 0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3k2f s THR 87 Cb 0.00 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 70.01 3k2f s THR 87 CO 0.00 0.52 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.92 3k2f s TYR 88 N 0.21 2.67 -0.14 4.92 2.02 -0.88 -0.99 117.35 125.16 3k2f s TYR 88 Ca -0.05 -1.31 -0.19 0.00 -0.37 0.00 0.00 57.07 55.15 3k2f s TYR 88 Cb -0.14 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3k2f s TYR 88 CO 0.04 -0.59 0.51 0.50 -1.57 0.00 0.00 175.55 174.43 3k2f s ARG 89 N 0.79 4.29 0.15 -0.62 3.52 0.20 -0.87 118.95 126.40 3k2f s ARG 89 Ca -0.08 0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 55.67 3k2f s ARG 89 Cb -0.16 -3.48 -0.11 0.00 -1.56 0.00 0.00 34.95 29.64 3k2f s ARG 89 CO -0.01 0.04 1.80 -1.17 -0.81 0.00 0.00 175.30 175.15 3k2f s LEU 90 N 1.00 4.39 -0.08 -0.88 2.96 -0.13 -0.50 118.68 125.43 3k2f s LEU 90 Ca 0.26 2.79 0.02 0.00 -0.22 0.00 0.00 54.13 56.98 3k2f s LEU 90 Cb -0.15 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 3k2f s LEU 90 CO 0.10 -0.99 -0.05 0.00 -1.32 0.00 0.00 176.35 174.09 3k2f n ILE 91 N 4.53 0.51 -3.73 6.68 3.06 0.42 -4.68 119.36 126.14 3k2f n ILE 91 Ca 0.17 -0.23 -0.06 0.00 -2.50 0.00 0.00 62.75 60.13 3k2f n ILE 91 Cb 0.37 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.72 3k2f n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3k2f s GLN 92 N -2.18 1.35 0.05 9.51 1.03 -1.21 -1.23 119.66 126.98 3k2f s GLN 92 Ca -0.09 -0.70 -0.01 0.00 0.04 0.00 0.00 55.36 54.60 3k2f s GLN 92 Cb 0.03 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.52 3k2f s GLN 92 CO 0.23 -0.61 -0.03 -0.59 -2.54 0.00 0.00 175.29 171.75 3k2f s PHE 93 N -3.51 0.52 0.34 9.60 -0.12 -0.44 0.06 117.98 124.44 3k2f s PHE 93 Ca 0.10 -0.98 -0.18 0.00 -0.05 0.00 0.00 56.93 55.82 3k2f s PHE 93 Cb -0.03 -0.37 0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3k2f s PHE 93 CO 0.01 -0.33 0.76 -3.38 -0.05 0.00 0.00 175.22 172.23 3k2f s HIS 94 N -3.55 0.00 0.19 3.49 -3.43 -0.38 -1.17 115.29 110.44 3k2f s HIS 94 Ca 0.04 -0.59 0.05 0.00 -0.80 0.00 0.00 55.06 53.76 3k2f s HIS 94 Cb 0.05 0.79 -0.05 0.00 -1.43 0.00 0.00 32.58 31.94 3k2f s HIS 94 CO -0.08 -1.44 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.07 3k2f s PHE 95 N -2.94 1.49 0.02 0.38 0.40 -1.26 -0.22 117.98 115.85 3k2f s PHE 95 Ca 0.14 -0.76 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 3k2f s PHE 95 Cb -0.05 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 3k2f s PHE 95 CO 0.10 0.12 -0.17 -1.01 0.70 0.00 0.00 175.22 174.96 3k2f s HIS 96 N -3.25 1.46 0.31 0.36 3.76 -0.11 -4.71 115.29 113.11 3k2f s HIS 96 Ca 0.22 -0.33 -0.07 0.00 -0.15 0.00 0.00 55.06 54.72 3k2f s HIS 96 Cb 0.03 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.83 3k2f s HIS 96 CO 0.05 0.03 0.49 1.67 -0.85 0.00 0.00 174.74 176.13 3k2f s TRP 97 N -0.68 0.72 0.50 1.40 -2.14 -1.23 -1.24 118.94 116.27 3k2f s TRP 97 Ca 0.05 -1.04 0.06 0.00 2.66 0.00 0.00 56.10 57.83 3k2f s TRP 97 Cb -0.08 0.08 0.02 0.00 -3.10 0.00 0.00 33.47 30.39 3k2f s TRP 97 CO 0.01 -1.10 0.38 0.20 -2.66 0.00 0.00 176.95 173.77 3k2f s GLY 98 N -3.14 2.31 0.08 3.67 0.00 -1.16 -0.88 107.32 108.21 3k2f s GLY 98 Ca 0.27 -1.51 0.27 0.00 0.00 0.00 0.00 44.72 43.75 3k2f s GLY 98 CO 0.15 -1.88 1.84 -1.14 0.00 0.00 0.00 173.10 172.07 3k2f n SER 99 N -1.67 0.32 -3.75 1.64 3.41 -1.26 -4.33 113.62 107.97 3k2f n SER 99 Ca -0.00 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3k2f n SER 99 Cb 0.64 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 3k2f n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k2f s LEU 100 N -3.60 0.71 0.58 1.04 1.02 -1.26 -5.06 118.68 112.11 3k2f s LEU 100 Ca 0.12 0.55 0.28 0.00 0.02 0.00 0.00 54.13 55.09 3k2f s LEU 100 Cb 0.16 1.22 1.58 0.00 0.02 0.00 0.00 46.19 49.17 3k2f s LEU 100 CO 0.54 -0.21 2.05 0.44 0.02 0.00 0.00 176.35 179.20 3k2f h ASP 101 N 5.15 0.00 -0.25 2.29 3.45 -1.92 -2.14 116.42 123.00 3k2f h ASP 101 Ca -0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.19 3k2f h ASP 101 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3k2f h ASP 101 CO 0.32 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.60 3k2f n GLY 102 N -1.45 1.53 3.38 2.75 0.00 -1.26 -3.32 105.19 106.81 3k2f n GLY 102 Ca 0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 3k2f n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k2f s GLN 103 N -1.67 1.19 0.00 1.61 -2.07 -0.80 -4.66 119.66 113.25 3k2f s GLN 103 Ca 0.21 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 3k2f s GLN 103 Cb 0.14 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.60 3k2f s GLN 103 CO 0.09 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 3k2f n GLY 104 N -0.28 4.63 3.70 2.60 0.00 -0.97 -3.03 105.19 111.84 3k2f n GLY 104 Ca -0.17 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 3k2f n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2f s SER 105 N 0.00 3.61 -0.16 1.61 1.04 -0.46 -3.52 113.70 115.82 3k2f s SER 105 Ca 0.00 2.34 -0.12 0.00 0.48 0.00 0.00 55.95 58.64 3k2f s SER 105 Cb 0.00 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 3k2f s SER 105 CO 0.00 -2.65 -0.04 -0.33 0.98 0.00 0.00 173.24 171.19 3k2f h GLU 106 N -0.93 0.00 -7.15 4.02 5.08 -1.89 -3.46 114.58 110.24 3k2f h GLU 106 Ca -0.46 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.40 3k2f h GLU 106 Cb 1.29 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.62 3k2f h GLU 106 CO 0.46 0.30 0.39 -1.01 -1.00 0.00 0.00 179.01 178.15 3k2f s HIS 107 N -2.24 2.77 0.16 4.33 3.76 -1.26 -4.23 115.29 118.59 3k2f s HIS 107 Ca -0.18 1.54 0.06 0.00 -0.15 0.00 0.00 55.06 56.33 3k2f s HIS 107 Cb 0.03 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 3k2f s HIS 107 CO 0.32 -1.41 -0.12 0.95 -0.85 0.00 0.00 174.74 173.63 3k2f s THR 108 N -2.18 1.38 -0.24 1.30 -4.23 -1.16 -4.72 115.64 105.78 3k2f s THR 108 Ca 0.68 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3k2f s THR 108 Cb -0.20 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 71.86 3k2f s THR 108 CO 0.34 -0.63 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.00 3k2f s VAL 109 N -2.96 1.96 -1.48 2.29 1.01 -0.96 0.14 120.40 120.41 3k2f s VAL 109 Ca 0.17 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 3k2f s VAL 109 Cb -0.00 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3k2f s VAL 109 CO 0.03 0.01 0.17 0.47 0.00 0.00 0.00 175.10 175.78 3k2f n ASP 110 N 4.52 0.03 0.00 3.32 10.43 0.29 -1.29 116.55 133.85 3k2f n ASP 110 Ca -0.14 -1.22 0.00 0.00 2.57 0.00 0.00 54.79 55.99 3k2f n ASP 110 Cb 0.43 -1.92 0.00 0.00 1.84 0.00 0.00 41.12 41.48 3k2f n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3k2f n LYS 111 N -4.60 0.00 -2.66 -1.24 4.76 -1.26 -4.98 118.16 108.18 3k2f n LYS 111 Ca -0.30 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.72 3k2f n LYS 111 Cb 0.68 -2.85 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 3k2f n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3k2f s LYS 112 N -0.21 4.52 -0.15 1.97 2.20 -0.42 -5.02 119.74 122.63 3k2f s LYS 112 Ca 0.00 1.48 -0.08 0.00 -0.36 0.00 0.00 55.97 57.01 3k2f s LYS 112 Cb 0.00 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3k2f s LYS 112 CO 0.00 -0.13 0.14 0.15 -0.36 0.00 0.00 175.35 175.15 3k2f s LYS 113 N 1.19 3.69 0.50 4.03 1.02 -1.26 -2.26 119.74 126.65 3k2f s LYS 113 Ca 0.53 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.40 3k2f s LYS 113 Cb -0.22 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3k2f s LYS 113 CO 0.27 0.62 0.70 0.71 -0.92 0.00 0.00 175.35 176.72 3k2f s TYR 114 N -0.57 2.76 0.17 3.18 1.51 -1.26 -4.54 117.35 118.60 3k2f s TYR 114 Ca 0.13 -0.20 0.29 0.00 -1.01 0.00 0.00 57.07 56.28 3k2f s TYR 114 Cb -0.12 -2.59 1.21 0.00 -0.11 0.00 0.00 41.96 40.35 3k2f s TYR 114 CO 0.02 -0.72 1.94 0.00 -1.11 0.00 0.00 175.55 175.68 3k2f h ALA 115 N 0.29 1.04 -2.37 3.71 0.00 -1.19 -1.11 119.26 119.64 3k2f h ALA 115 Ca -0.41 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.57 3k2f h ALA 115 Cb 1.29 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3k2f h ALA 115 CO 0.48 0.14 0.52 0.00 0.00 0.00 0.00 179.25 180.39 3k2f s ALA 116 N -3.74 -1.63 -0.11 0.00 0.00 -1.04 -2.97 121.76 112.27 3k2f s ALA 116 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 3k2f s ALA 116 Cb 0.10 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.93 3k2f s ALA 116 CO 0.59 -1.05 0.26 -2.00 0.00 0.00 0.00 175.76 173.56 3k2f s GLU 117 N -2.96 0.23 -0.08 0.00 2.12 -0.37 -1.26 118.70 116.39 3k2f s GLU 117 Ca 0.15 0.55 -0.09 0.00 0.36 0.00 0.00 54.97 55.93 3k2f s GLU 117 Cb -0.02 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 3k2f s GLU 117 CO 0.03 -0.16 0.23 -1.17 -0.54 0.00 0.00 175.26 173.65 3k2f s LEU 118 N 1.21 4.42 -0.16 2.70 2.96 0.54 -0.93 118.68 129.42 3k2f s LEU 118 Ca -0.09 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 3k2f s LEU 118 Cb -0.10 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3k2f s LEU 118 CO -0.08 0.38 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.18 3k2f s HIS 119 N -1.05 2.31 -0.25 5.38 3.76 0.69 -0.68 115.29 125.45 3k2f s HIS 119 Ca 0.18 -1.35 -0.07 0.00 -0.15 0.00 0.00 55.06 53.66 3k2f s HIS 119 Cb -0.14 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 3k2f s HIS 119 CO 0.07 -0.70 0.07 -0.51 -0.85 0.00 0.00 174.74 172.82 3k2f s LEU 120 N 1.44 3.47 -0.18 0.89 1.43 -0.56 -1.25 118.68 123.92 3k2f s LEU 120 Ca 0.04 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3k2f s LEU 120 Cb -0.13 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3k2f s LEU 120 CO -0.11 -0.03 -0.00 -0.69 0.23 0.00 0.00 176.35 175.75 3k2f s VAL 121 N 1.59 4.04 0.04 -1.59 1.01 0.11 -1.16 120.40 124.45 3k2f s VAL 121 Ca 0.06 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.81 3k2f s VAL 121 Cb -0.15 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3k2f s VAL 121 CO 0.04 0.45 -0.18 -1.00 0.00 0.00 0.00 175.10 174.41 3k2f s HIS 122 N 0.70 1.56 0.04 5.22 3.76 -0.34 -0.44 115.29 125.80 3k2f s HIS 122 Ca -0.00 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 3k2f s HIS 122 Cb -0.14 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 3k2f s HIS 122 CO 0.02 0.07 -0.18 1.67 -0.85 0.00 0.00 174.74 175.47 3k2f s TRP 123 N -0.83 2.56 -0.25 1.40 1.48 0.34 -1.00 118.94 122.64 3k2f s TRP 123 Ca 0.05 -0.25 -0.29 0.00 -1.06 0.00 0.00 56.10 54.55 3k2f s TRP 123 Cb -0.08 -1.46 -0.03 0.00 -1.16 0.00 0.00 33.47 30.74 3k2f s TRP 123 CO 0.02 0.26 1.78 1.21 -4.06 0.00 0.00 176.95 176.16 3k2f s ASN 124 N -1.47 6.07 0.57 -2.66 3.84 -0.25 0.62 114.94 121.67 3k2f s ASN 124 Ca 0.15 1.57 0.34 0.00 0.21 0.00 0.00 52.86 55.12 3k2f s ASN 124 Cb -0.10 -2.53 1.70 0.00 -0.55 0.00 0.00 41.25 39.77 3k2f s ASN 124 CO 0.05 -1.52 2.14 0.71 -2.79 0.00 0.00 177.10 175.69 3k2f h THR 125 N 6.52 0.28 0.00 -5.21 1.35 -1.41 -2.50 112.91 111.94 3k2f h THR 125 Ca -0.35 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3k2f h THR 125 Cb 1.17 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3k2f h THR 125 CO 1.01 0.06 0.19 0.07 -0.25 0.00 0.00 175.52 176.59 3k2f h LYS 127 N 0.00 0.00 -0.33 4.72 2.10 -1.92 -1.60 116.57 119.54 3k2f h LYS 127 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k2f h LYS 127 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3k2f h LYS 127 CO 0.01 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.12 3k2f n TYR 128 N -2.96 0.43 0.00 0.07 0.53 -0.94 -4.99 117.16 109.30 3k2f n TYR 128 Ca -0.02 -0.22 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 3k2f n TYR 128 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 3k2f n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3k2f n GLY 129 N 1.33 1.11 3.27 2.72 0.00 -0.60 -4.51 105.19 108.51 3k2f n GLY 129 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3k2f n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k2f s ASP 130 N 0.00 0.13 0.17 1.61 1.47 -1.26 -5.06 116.67 113.73 3k2f s ASP 130 Ca 0.00 -0.96 -0.15 0.00 1.18 0.00 0.00 52.55 52.62 3k2f s ASP 130 Cb 0.00 0.39 0.05 0.00 -0.34 0.00 0.00 42.92 43.02 3k2f s ASP 130 CO 0.00 -0.83 1.82 0.15 0.68 0.00 0.00 175.17 176.99 3k2f h PHE 131 N 2.66 0.56 -0.98 2.11 3.04 -1.94 -2.81 116.94 119.58 3k2f h PHE 131 Ca -0.33 0.01 0.18 0.00 3.98 0.00 0.00 57.97 61.81 3k2f h PHE 131 Cb 1.22 -0.18 -0.09 0.00 2.56 0.00 0.00 35.95 39.45 3k2f h PHE 131 CO 0.41 0.34 0.61 0.78 -2.02 0.00 0.00 178.31 178.43 3k2f h GLY 132 N 0.60 1.52 1.06 2.40 0.00 -1.97 -2.67 103.07 104.02 3k2f h GLY 132 Ca 0.18 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 3k2f h GLY 132 CO -0.06 0.00 -0.71 0.50 0.00 0.00 0.00 176.54 176.27 3k2f h LYS 133 N 0.73 0.68 -0.70 4.80 1.79 -1.77 -3.35 116.57 118.75 3k2f h LYS 133 Ca 0.53 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3k2f h LYS 133 Cb 0.87 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 3k2f h LYS 133 CO -0.30 1.20 0.41 0.00 -1.08 0.00 0.00 179.45 179.67 3k2f h ALA 134 N 0.50 1.41 0.00 3.86 0.00 -1.24 -2.29 119.26 121.49 3k2f h ALA 134 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k2f h ALA 134 Cb 1.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k2f h ALA 134 CO 0.15 0.50 0.00 1.33 0.00 0.00 0.00 179.25 181.23 3k2f n VAL 135 N -4.39 0.83 0.79 0.00 0.24 -1.03 -1.19 118.33 113.57 3k2f n VAL 135 Ca 0.07 0.19 0.07 0.00 -2.04 0.00 0.00 64.34 62.63 3k2f n VAL 135 Cb 0.08 -1.02 0.22 0.00 -1.47 0.00 0.00 33.84 31.64 3k2f n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k2f n GLN 136 N -1.92 1.92 -5.11 7.34 6.02 -0.86 -4.81 117.38 119.95 3k2f n GLN 136 Ca 0.03 -1.42 -0.30 0.00 -0.01 0.00 0.00 57.00 55.30 3k2f n GLN 136 Cb 0.23 -1.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.00 3k2f n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3k2f s GLN 137 N -1.52 1.94 0.47 -1.09 -1.52 -0.33 -5.05 119.66 112.56 3k2f s GLN 137 Ca 0.29 -0.99 0.12 0.00 -1.95 0.00 0.00 55.36 52.83 3k2f s GLN 137 Cb 0.15 -1.97 1.09 0.00 -0.22 0.00 0.00 33.01 32.06 3k2f s GLN 137 CO 0.20 0.53 2.11 -1.00 -0.25 0.00 0.00 175.29 176.88 3k2f h PRO 138 N 5.21 0.24 -0.63 2.91 0.13 -1.84 -1.87 132.00 136.15 3k2f h PRO 138 Ca -0.44 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 3k2f h PRO 138 Cb 1.13 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 31.97 3k2f h PRO 138 CO 0.46 0.16 -0.01 -0.40 -0.23 0.00 0.00 178.00 177.97 3k2f n ASP 139 N -4.51 4.18 0.13 1.44 3.85 -1.26 -4.06 116.55 116.31 3k2f n ASP 139 Ca -0.00 -3.77 -0.01 0.00 -0.71 0.00 0.00 54.79 50.30 3k2f n ASP 139 Cb 0.08 -0.65 0.10 0.00 -1.35 0.00 0.00 41.12 39.30 3k2f n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3k2f h GLY 140 N 1.48 0.00 -4.02 6.12 0.00 -1.27 -3.43 103.07 101.95 3k2f h GLY 140 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.41 3k2f h GLY 140 CO 0.78 0.00 -0.73 1.08 0.00 0.00 0.00 176.54 177.67 3k2f s LEU 141 N -6.99 2.36 -0.10 3.11 1.43 0.29 -1.09 118.68 117.70 3k2f s LEU 141 Ca 0.01 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3k2f s LEU 141 Cb 0.10 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.11 3k2f s LEU 141 CO 0.76 -0.26 -0.12 0.00 0.23 0.00 0.00 176.35 176.96 3k2f s ALA 142 N -2.17 1.46 -0.16 4.21 0.00 -0.17 -0.98 121.76 123.95 3k2f s ALA 142 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3k2f s ALA 142 Cb -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3k2f s ALA 142 CO -0.00 -0.12 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 3k2f s VAL 143 N 1.09 3.20 -0.38 0.00 1.01 -0.69 -1.20 120.40 123.44 3k2f s VAL 143 Ca -0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3k2f s VAL 143 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3k2f s VAL 143 CO -0.02 0.49 0.67 -0.22 0.00 0.00 0.00 175.10 176.02 3k2f s LEU 144 N 0.72 4.28 -0.15 3.92 0.20 -0.30 -1.38 118.68 125.96 3k2f s LEU 144 Ca -0.04 0.06 -0.09 0.00 0.69 0.00 0.00 54.13 54.74 3k2f s LEU 144 Cb -0.15 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.74 3k2f s LEU 144 CO 0.02 -0.68 0.14 -0.83 -0.29 0.00 0.00 176.35 174.72 3k2f s GLY 145 N 1.87 2.11 -0.05 7.98 0.00 0.17 -1.49 107.32 117.91 3k2f s GLY 145 Ca 0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 44.72 44.32 3k2f s GLY 145 CO 0.17 -0.12 -0.01 -0.42 0.00 0.00 0.00 173.10 172.72 3k2f s ILE 146 N -0.37 0.33 0.44 0.90 1.01 0.14 -0.77 121.20 122.88 3k2f s ILE 146 Ca 0.12 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 3k2f s ILE 146 Cb -0.12 -0.43 -0.10 0.00 0.01 0.00 0.00 42.46 41.83 3k2f s ILE 146 CO 0.01 0.20 0.99 -0.36 0.00 0.00 0.00 174.94 175.79 3k2f s PHE 147 N 1.32 3.21 -0.13 3.97 0.08 -1.26 -0.34 117.98 124.83 3k2f s PHE 147 Ca -0.05 1.61 0.01 0.00 0.12 0.00 0.00 56.93 58.61 3k2f s PHE 147 Cb -0.13 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.39 3k2f s PHE 147 CO -0.02 -0.39 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.06 3k2f s LEU 148 N -3.22 1.65 0.30 -0.37 1.02 -0.39 -0.18 118.68 117.50 3k2f s LEU 148 Ca 0.63 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 54.42 3k2f s LEU 148 Cb -0.13 -1.10 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 3k2f s LEU 148 CO 0.17 -0.03 0.22 -1.59 0.02 0.00 0.00 176.35 175.14 3k2f s LYS 149 N 1.30 2.75 -0.21 1.70 -2.85 -0.11 -1.29 119.74 121.03 3k2f s LYS 149 Ca 0.00 -1.22 -0.13 0.00 -1.00 0.00 0.00 55.97 53.61 3k2f s LYS 149 Cb -0.14 -2.47 -0.04 0.00 -2.06 0.00 0.00 37.83 33.12 3k2f s LYS 149 CO -0.07 0.24 0.29 0.08 0.10 0.00 0.00 175.35 175.99 3k2f s VAL 150 N -2.25 5.28 0.00 1.79 1.01 -1.26 -0.67 120.40 124.31 3k2f s VAL 150 Ca 0.37 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3k2f s VAL 150 Cb -0.06 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3k2f s VAL 150 CO 0.25 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3k2f n GLY 151 N 3.93 0.24 3.89 4.51 0.00 0.93 -4.90 105.19 113.78 3k2f n GLY 151 Ca -0.11 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 3k2f n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2f s SER 152 N 2.00 6.46 0.44 1.61 0.01 -1.26 -4.18 113.70 118.78 3k2f s SER 152 Ca 0.00 1.02 -0.24 0.00 1.31 0.00 0.00 55.95 58.04 3k2f s SER 152 Cb 0.00 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.88 3k2f s SER 152 CO 0.00 -0.39 1.22 0.00 0.41 0.00 0.00 173.24 174.48 3k2f s ALA 153 N -2.38 3.08 -0.51 1.44 0.00 -1.26 -2.41 121.76 119.73 3k2f s ALA 153 Ca 0.49 1.06 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 3k2f s ALA 153 Cb -0.10 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3k2f s ALA 153 CO 0.33 -0.74 0.76 0.21 0.00 0.00 0.00 175.76 176.33 3k2f s LYS 154 N -2.48 3.25 0.24 0.00 2.47 -1.20 -4.77 119.74 117.25 3k2f s LYS 154 Ca 0.61 -0.50 -0.07 0.00 -1.56 0.00 0.00 55.97 54.45 3k2f s LYS 154 Cb -0.33 -4.04 0.24 0.00 -1.46 0.00 0.00 37.83 32.24 3k2f s LYS 154 CO 0.41 -1.27 1.90 -1.35 0.16 0.00 0.00 175.35 175.20 3k2f h PRO 155 N 9.09 1.29 0.00 4.03 0.11 -1.91 -1.75 132.00 142.86 3k2f h PRO 155 Ca -0.26 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k2f h PRO 155 Cb 1.09 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3k2f h PRO 155 CO 1.00 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 180.08 3k2f n GLY 156 N -1.30 -0.42 0.01 -0.55 0.00 -1.26 -2.28 105.19 99.39 3k2f n GLY 156 Ca 0.11 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3k2f n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k2f n LEU 157 N -1.15 0.30 0.21 0.99 7.94 -0.66 -4.55 117.00 120.09 3k2f n LEU 157 Ca 0.05 -0.18 0.07 0.00 -1.11 0.00 0.00 56.01 54.84 3k2f n LEU 157 Cb 0.05 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.47 3k2f n LEU 157 CO 0.05 0.08 0.79 -0.61 -1.11 0.00 0.00 177.39 176.59 3k2f h GLN 158 N 0.00 0.00 -0.08 1.96 5.75 -1.48 -0.89 115.11 120.37 3k2f h GLN 158 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3k2f h GLN 158 Cb 0.69 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 3k2f h GLN 158 CO 0.00 0.28 -0.21 0.87 -2.65 0.00 0.00 178.83 177.12 3k2f h LYS 159 N 0.00 0.13 -0.08 1.69 1.57 -1.84 -0.32 116.57 117.72 3k2f h LYS 159 Ca -0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3k2f h LYS 159 Cb 0.64 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3k2f h LYS 159 CO 0.04 0.34 -0.13 0.28 -0.57 0.00 0.00 179.45 179.41 3k2f h VAL 160 N 0.12 1.39 -0.62 0.50 2.07 -1.51 -3.14 116.25 115.07 3k2f h VAL 160 Ca 0.02 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.23 3k2f h VAL 160 Cb 0.45 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 3k2f h VAL 160 CO 0.03 0.39 0.29 0.58 0.02 0.00 0.00 177.57 178.88 3k2f h VAL 161 N -0.22 0.86 0.00 2.57 2.07 -0.89 -2.85 116.25 117.79 3k2f h VAL 161 Ca 0.01 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 3k2f h VAL 161 Cb 0.70 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3k2f h VAL 161 CO 0.03 0.09 -0.43 0.44 0.02 0.00 0.00 177.57 177.72 3k2f h ASP 162 N 0.52 0.00 1.04 0.57 3.32 -1.15 -2.93 116.42 117.79 3k2f h ASP 162 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3k2f h ASP 162 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3k2f h ASP 162 CO -0.24 0.43 0.00 0.55 -1.72 0.00 0.00 179.24 178.26 3k2f n VAL 163 N -4.01 0.06 0.18 -1.35 3.14 -1.08 -4.00 118.33 111.26 3k2f n VAL 163 Ca -0.02 -0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.38 3k2f n VAL 163 Cb 0.46 -0.51 0.43 0.00 -1.06 0.00 0.00 33.84 33.16 3k2f n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3k2f h LEU 164 N 0.00 0.09 -1.22 6.55 3.38 -1.47 -1.81 115.31 120.84 3k2f h LEU 164 Ca 0.00 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3k2f h LEU 164 Cb 0.52 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3k2f h LEU 164 CO 0.00 0.29 0.58 0.44 0.09 0.00 0.00 178.44 179.84 3k2f h ASP 165 N 0.09 0.75 0.64 -0.43 3.32 -1.79 -2.30 116.42 116.71 3k2f h ASP 165 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3k2f h ASP 165 Cb 0.40 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3k2f h ASP 165 CO 0.03 0.41 0.00 0.28 -1.72 0.00 0.00 179.24 178.24 3k2f h SER 166 N 0.81 0.00 -0.61 6.45 0.02 -1.60 -3.30 113.55 115.33 3k2f h SER 166 Ca 0.44 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.03 3k2f h SER 166 Cb 0.54 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.68 3k2f h SER 166 CO -0.20 0.00 -1.02 2.30 -1.14 0.00 0.00 176.83 176.77 3k2f n ILE 167 N -2.92 1.66 -0.31 3.27 -5.35 -0.87 -4.67 119.36 110.17 3k2f n ILE 167 Ca -0.00 -3.39 0.02 0.00 -0.27 0.00 0.00 62.75 59.11 3k2f n ILE 167 Cb 0.21 0.44 0.21 0.00 -1.74 0.00 0.00 39.64 38.77 3k2f n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3k2f h LYS 168 N 2.51 1.07 -6.11 6.28 3.64 -1.62 -3.42 116.57 118.93 3k2f h LYS 168 Ca 0.03 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.77 3k2f h LYS 168 Cb 1.33 -0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 32.76 3k2f h LYS 168 CO 0.40 0.71 -0.77 0.95 -2.27 0.00 0.00 179.45 178.47 3k2f s THR 169 N -5.95 2.23 0.10 1.00 -4.23 -1.26 -0.10 115.64 107.43 3k2f s THR 169 Ca -0.12 -2.25 -0.36 0.00 -1.18 0.00 0.00 61.69 57.78 3k2f s THR 169 Cb 0.19 -2.17 -0.16 0.00 1.34 0.00 0.00 72.50 71.70 3k2f s THR 169 CO 0.80 -0.39 1.38 1.17 -0.54 0.00 0.00 174.62 177.04 3k2f n LYS 170 N -0.32 1.31 0.00 3.99 4.81 0.13 -1.90 118.16 126.18 3k2f n LYS 170 Ca -0.08 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 3k2f n LYS 170 Cb 0.59 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3k2f n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k2f n GLY 171 N 2.66 1.76 3.75 3.14 0.00 0.14 -4.43 105.19 112.20 3k2f n GLY 171 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3k2f n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2f s LYS 172 N -0.70 4.71 0.09 1.61 -0.14 -0.80 -4.90 119.74 119.62 3k2f s LYS 172 Ca 0.00 1.63 0.02 0.00 -1.36 0.00 0.00 55.97 56.25 3k2f s LYS 172 Cb 0.00 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.84 3k2f s LYS 172 CO 0.00 0.29 -0.07 -1.54 -0.76 0.00 0.00 175.35 173.27 3k2f s SER 173 N -0.68 1.12 0.03 2.83 1.04 -1.26 -1.25 113.70 115.52 3k2f s SER 173 Ca 0.45 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.93 3k2f s SER 173 Cb -0.28 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3k2f s SER 173 CO 0.35 -0.44 -0.06 0.00 0.98 0.00 0.00 173.24 174.07 3k2f s ALA 174 N -3.41 0.41 0.36 5.32 0.00 -0.19 -4.93 121.76 119.32 3k2f s ALA 174 Ca 0.10 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 3k2f s ALA 174 Cb 0.04 0.05 -0.12 0.00 0.00 0.00 0.00 23.12 23.09 3k2f s ALA 174 CO -0.04 -0.04 1.41 -0.25 0.00 0.00 0.00 175.76 176.84 3k2f n ASP 175 N 1.75 3.35 -2.81 0.00 8.00 -1.26 -0.89 116.55 124.68 3k2f n ASP 175 Ca -0.21 1.21 -0.10 0.00 0.71 0.00 0.00 54.79 56.40 3k2f n ASP 175 Cb 0.55 -1.56 0.04 0.00 -0.02 0.00 0.00 41.12 40.14 3k2f n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k2f n PHE 176 N 0.50 -2.76 -3.22 1.24 7.35 -0.61 -4.67 117.46 115.29 3k2f n PHE 176 Ca 0.03 -2.13 -0.27 0.00 -0.76 0.00 0.00 57.45 54.32 3k2f n PHE 176 Cb 0.37 1.28 -0.02 0.00 0.35 0.00 0.00 39.48 41.47 3k2f n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3k2f s THR 177 N 0.25 5.03 -2.08 -2.13 -4.23 -1.24 -3.44 115.64 107.81 3k2f s THR 177 Ca 0.30 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 3k2f s THR 177 Cb 0.24 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3k2f s THR 177 CO -0.18 -0.50 0.00 0.59 -0.54 0.00 0.00 174.62 173.99 3k2f n ASN 178 N -1.47 -5.65 -4.68 3.99 4.13 -1.26 -4.94 115.26 105.38 3k2f n ASN 178 Ca -0.02 0.34 -0.42 0.00 1.68 0.00 0.00 54.58 56.15 3k2f n ASN 178 Cb 0.55 -4.89 -0.03 0.00 -1.54 0.00 0.00 39.78 33.87 3k2f n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3k2f s PHE 179 N -2.86 3.14 -0.46 3.10 5.36 -1.26 -4.99 117.98 120.00 3k2f s PHE 179 Ca 0.00 1.20 -0.16 0.00 -0.96 0.00 0.00 56.93 57.00 3k2f s PHE 179 Cb 0.00 -3.42 0.05 0.00 -0.34 0.00 0.00 43.02 39.31 3k2f s PHE 179 CO 0.00 -1.32 0.44 0.34 -1.46 0.00 0.00 175.22 173.22 3k2f s ASP 180 N 1.55 6.17 0.00 6.13 3.68 -1.26 -4.41 116.67 128.53 3k2f s ASP 180 Ca 0.55 -1.07 0.11 0.00 2.13 0.00 0.00 52.55 54.28 3k2f s ASP 180 Cb -0.23 -2.21 0.55 0.00 -1.45 0.00 0.00 42.92 39.57 3k2f s ASP 180 CO 0.20 -0.66 1.30 -0.81 0.13 0.00 0.00 175.17 175.33 3k2f n PRO 181 N 5.47 0.11 0.28 4.34 -0.04 -1.26 -2.77 135.00 141.13 3k2f n PRO 181 Ca -0.10 0.22 0.17 0.00 -0.04 0.00 0.00 63.50 63.74 3k2f n PRO 181 Cb 0.45 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.15 3k2f n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k2f h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -2.67 114.38 113.40 3k2f h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k2f h ARG 182 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3k2f h ARG 182 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 3k2f n GLY 183 N -0.19 -1.22 0.16 0.04 0.00 -1.11 -3.01 105.19 99.84 3k2f n GLY 183 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3k2f n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k2f n LEU 184 N -1.45 1.05 -4.85 0.99 4.77 -1.01 -4.20 117.00 112.30 3k2f n LEU 184 Ca 0.07 -0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.38 3k2f n LEU 184 Cb 0.25 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3k2f n LEU 184 CO 0.20 0.22 0.41 -0.76 -1.33 0.00 0.00 177.39 176.13 3k2f s LEU 185 N -2.78 4.10 0.90 2.23 1.43 -1.16 -4.92 118.68 118.48 3k2f s LEU 185 Ca 0.15 1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 3k2f s LEU 185 Cb 0.18 -4.01 0.17 0.00 0.03 0.00 0.00 46.19 42.56 3k2f s LEU 185 CO 0.67 -0.17 1.26 -2.16 0.23 0.00 0.00 176.35 176.17 3k2f s PRO 186 N -2.87 1.01 0.06 1.29 0.04 -1.26 -5.01 135.00 128.26 3k2f s PRO 186 Ca 0.53 -0.40 -0.25 0.00 0.04 0.00 0.00 61.00 60.92 3k2f s PRO 186 Cb -0.11 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.34 3k2f s PRO 186 CO 0.18 -2.14 1.61 0.93 0.04 0.00 0.00 177.00 177.61 3k2f h GLU 187 N -1.40 -0.11 -6.43 4.56 5.08 -1.93 -3.44 114.58 110.92 3k2f h GLU 187 Ca -0.44 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 3k2f h GLU 187 Cb 1.25 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 3k2f h GLU 187 CO 0.43 0.03 0.17 0.45 -1.00 0.00 0.00 179.01 179.09 3k2f s SER 188 N -5.20 7.32 -0.10 1.42 0.15 -1.26 -4.97 113.70 111.06 3k2f s SER 188 Ca -0.14 1.56 0.13 0.00 0.70 0.00 0.00 55.95 58.20 3k2f s SER 188 Cb 0.05 -2.49 0.55 0.00 -1.71 0.00 0.00 66.02 62.42 3k2f s SER 188 CO 0.65 0.13 1.40 0.18 1.20 0.00 0.00 173.24 176.81 3k2f n LEU 189 N 2.09 3.83 -4.74 3.45 4.77 -1.26 -4.72 117.00 120.41 3k2f n LEU 189 Ca -0.04 -1.93 -0.41 0.00 -0.03 0.00 0.00 56.01 53.59 3k2f n LEU 189 Cb 0.49 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3k2f n LEU 189 CO 0.46 0.60 1.01 0.47 -1.33 0.00 0.00 177.39 178.61 3k2f n ASP 190 N 0.70 3.16 -3.56 -1.43 10.43 -1.26 -4.95 116.55 119.65 3k2f n ASP 190 Ca 0.19 1.16 -0.12 0.00 2.57 0.00 0.00 54.79 58.59 3k2f n ASP 190 Cb 0.75 -1.56 -0.04 0.00 1.84 0.00 0.00 41.12 42.10 3k2f n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3k2f s TYR 191 N -1.16 -0.37 0.07 1.24 -0.85 -1.26 -1.83 117.35 113.18 3k2f s TYR 191 Ca 0.58 0.25 0.03 0.00 -0.52 0.00 0.00 57.07 57.41 3k2f s TYR 191 Cb -0.49 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 3k2f s TYR 191 CO 0.60 -0.70 0.05 -1.58 -1.52 0.00 0.00 175.55 172.40 3k2f s TRP 192 N -3.15 3.13 0.01 -3.49 0.51 -0.16 -1.10 118.94 114.69 3k2f s TRP 192 Ca -0.01 0.06 0.02 0.00 -2.12 0.00 0.00 56.10 54.04 3k2f s TRP 192 Cb 0.00 -1.61 -0.01 0.00 -0.81 0.00 0.00 33.47 31.04 3k2f s TRP 192 CO -0.07 0.51 -0.06 -0.08 -0.51 0.00 0.00 176.95 176.74 3k2f s THR 193 N -1.31 0.41 0.04 2.01 -1.32 0.52 -1.04 115.64 114.95 3k2f s THR 193 Ca 0.27 -0.53 -0.22 0.00 -1.21 0.00 0.00 61.69 60.00 3k2f s THR 193 Cb -0.12 -0.41 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 3k2f s THR 193 CO 0.19 -0.09 0.51 -0.72 -2.21 0.00 0.00 174.62 172.30 3k2f s TYR 194 N -0.60 -0.42 0.02 9.09 -0.85 -1.01 -1.15 117.35 122.43 3k2f s TYR 194 Ca -0.03 0.48 -0.30 0.00 -0.52 0.00 0.00 57.07 56.69 3k2f s TYR 194 Cb -0.05 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3k2f s TYR 194 CO -0.00 -0.63 1.07 -1.25 -1.52 0.00 0.00 175.55 173.22 3k2f s PRO 195 N -2.35 4.50 0.00 -3.49 0.04 -1.26 -0.73 135.00 131.71 3k2f s PRO 195 Ca -0.06 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.55 3k2f s PRO 195 Cb -0.01 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3k2f s PRO 195 CO -0.01 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3k2f n GLY 196 N 3.04 4.17 3.23 0.56 0.00 0.83 -4.79 105.19 112.22 3k2f n GLY 196 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3k2f n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2f s SER 197 N 1.62 0.45 0.26 1.61 1.04 -1.05 -2.12 113.70 115.51 3k2f s SER 197 Ca 0.00 -1.41 -0.30 0.00 0.48 0.00 0.00 55.95 54.72 3k2f s SER 197 Cb 0.00 0.35 -0.14 0.00 0.10 0.00 0.00 66.02 66.33 3k2f s SER 197 CO 0.00 -0.83 1.26 0.18 0.98 0.00 0.00 173.24 174.83 3k2f n LEU 198 N -0.33 2.66 -0.21 2.42 4.77 -0.29 -4.52 117.00 121.50 3k2f n LEU 198 Ca 0.02 1.16 0.12 0.00 -0.03 0.00 0.00 56.01 57.28 3k2f n LEU 198 Cb 0.66 -1.37 0.29 0.00 -2.33 0.00 0.00 43.42 40.66 3k2f n LEU 198 CO 0.34 -0.81 0.54 0.35 -1.33 0.00 0.00 177.39 176.48 3k2f n THR 199 N 1.21 0.00 -4.23 -5.08 -2.24 -1.26 -4.34 114.28 98.33 3k2f n THR 199 Ca 0.10 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3k2f n THR 199 Cb 0.31 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.94 3k2f n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k2f s THR 200 N -2.63 3.44 0.32 4.28 -4.23 -1.26 -4.70 115.64 110.86 3k2f s THR 200 Ca 0.20 -1.39 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 3k2f s THR 200 Cb 0.19 -2.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.22 3k2f s THR 200 CO 0.58 0.00 0.64 -2.65 -0.54 0.00 0.00 174.62 172.65 3k2f n PRO 201 N 0.33 0.59 -0.05 3.99 -0.02 -1.26 -0.49 135.00 138.08 3k2f n PRO 201 Ca -0.12 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.58 3k2f n PRO 201 Cb 0.54 -1.42 0.03 0.00 -0.02 0.00 0.00 33.50 32.63 3k2f n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k2f n PRO 202 N 0.80 1.22 -1.75 0.52 -0.02 -1.26 -4.98 135.00 129.52 3k2f n PRO 202 Ca 0.13 -0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 61.14 3k2f n PRO 202 Cb 0.33 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.57 3k2f n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k2f n LEU 203 N -0.21 -1.53 -4.70 2.45 4.77 0.35 -4.87 117.00 113.27 3k2f n LEU 203 Ca 0.03 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.97 3k2f n LEU 203 Cb 0.13 -2.76 -0.01 0.00 -2.33 0.00 0.00 43.42 38.44 3k2f n LEU 203 CO 0.02 -0.86 0.92 0.18 -1.33 0.00 0.00 177.39 176.32 3k2f n LEU 204 N -2.45 3.59 -3.91 2.23 4.77 -1.26 -4.42 117.00 115.55 3k2f n LEU 204 Ca -0.21 1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 56.55 3k2f n LEU 204 Cb 0.66 -1.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.26 3k2f n LEU 204 CO 0.30 -0.45 1.81 -0.62 -1.33 0.00 0.00 177.39 177.10 3k2f n GLU 205 N 0.62 3.73 -0.15 3.23 1.02 -1.26 -1.14 120.64 126.69 3k2f n GLU 205 Ca 0.05 -3.69 0.04 0.00 -0.02 0.00 0.00 57.16 53.54 3k2f n GLU 205 Cb 0.36 -2.87 0.05 0.00 -0.02 0.00 0.00 31.44 28.96 3k2f n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k2f s VAL 207 N -1.34 2.98 -0.24 0.00 1.01 -0.90 -0.54 120.40 121.36 3k2f s VAL 207 Ca 0.12 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 3k2f s VAL 207 Cb 0.11 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3k2f s VAL 207 CO 0.01 0.52 0.72 -0.89 0.00 0.00 0.00 175.10 175.46 3k2f s THR 208 N 0.52 4.92 -0.06 3.92 2.01 -0.15 -0.12 115.64 126.68 3k2f s THR 208 Ca -0.09 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.09 3k2f s THR 208 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 3k2f s THR 208 CO 0.04 -0.01 0.42 0.26 -0.69 0.00 0.00 174.62 174.64 3k2f s TRP 209 N 2.59 3.61 -0.25 4.92 0.52 0.09 -1.71 118.94 128.72 3k2f s TRP 209 Ca 0.30 0.91 -0.01 0.00 0.02 0.00 0.00 56.10 57.32 3k2f s TRP 209 Cb -0.15 -2.40 0.07 0.00 -1.15 0.00 0.00 33.47 29.84 3k2f s TRP 209 CO 0.08 0.40 0.03 0.42 0.02 0.00 0.00 176.95 177.91 3k2f s ILE 210 N -0.21 0.98 -0.24 2.03 1.01 -0.48 -2.40 121.20 121.88 3k2f s ILE 210 Ca 0.24 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3k2f s ILE 210 Cb -0.16 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.82 3k2f s ILE 210 CO 0.11 -0.34 -0.03 -0.69 0.00 0.00 0.00 174.94 173.99 3k2f s VAL 211 N 1.62 3.26 0.25 2.92 1.01 -0.21 0.42 120.40 129.66 3k2f s VAL 211 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3k2f s VAL 211 Cb -0.18 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3k2f s VAL 211 CO -0.13 0.30 1.27 -0.76 0.00 0.00 0.00 175.10 175.78 3k2f s LEU 212 N 1.42 4.44 0.09 3.92 1.43 0.05 -0.99 118.68 129.05 3k2f s LEU 212 Ca 0.03 2.46 -0.09 0.00 -1.03 0.00 0.00 54.13 55.50 3k2f s LEU 212 Cb -0.15 -3.62 -0.19 0.00 0.03 0.00 0.00 46.19 42.25 3k2f s LEU 212 CO -0.03 -0.46 1.21 0.50 0.23 0.00 0.00 176.35 177.80 3k2f h LYS 213 N 4.55 0.53 -6.04 1.70 3.64 -1.69 -3.41 116.57 115.84 3k2f h LYS 213 Ca -0.46 -0.62 -0.58 0.00 -1.27 0.00 0.00 60.65 57.71 3k2f h LYS 213 Cb 1.22 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 3k2f h LYS 213 CO 0.72 1.24 0.72 -2.00 -2.27 0.00 0.00 179.45 177.86 3k2f s GLU 214 N -3.16 4.20 0.60 1.90 2.12 -1.26 -5.00 118.70 118.09 3k2f s GLU 214 Ca -0.08 1.18 -0.16 0.00 0.36 0.00 0.00 54.97 56.28 3k2f s GLU 214 Cb 0.07 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 3k2f s GLU 214 CO 0.90 -0.65 1.08 -2.14 -0.54 0.00 0.00 175.26 173.91 3k2f s PRO 215 N 3.19 3.18 0.26 4.30 0.02 -1.26 -4.63 135.00 140.06 3k2f s PRO 215 Ca 0.42 1.34 -0.06 0.00 0.02 0.00 0.00 61.00 62.72 3k2f s PRO 215 Cb -0.15 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 3k2f s PRO 215 CO 0.08 -0.94 0.53 0.96 -0.33 0.00 0.00 177.00 177.30 3k2f s ILE 216 N -2.27 5.02 -0.16 2.83 -4.36 0.75 -4.85 121.20 118.16 3k2f s ILE 216 Ca 0.66 0.14 -0.08 0.00 -0.26 0.00 0.00 60.65 61.12 3k2f s ILE 216 Cb -0.19 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.79 3k2f s ILE 216 CO 0.36 -0.22 0.10 -0.55 0.24 0.00 0.00 174.94 174.87 3k2f s SER 217 N -2.89 5.97 0.25 4.36 0.15 -1.26 -0.93 113.70 119.35 3k2f s SER 217 Ca 0.44 0.23 0.11 0.00 0.70 0.00 0.00 55.95 57.43 3k2f s SER 217 Cb -0.11 -1.99 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 3k2f s SER 217 CO 0.27 0.26 -0.19 0.68 1.20 0.00 0.00 173.24 175.46 3k2f s VAL 218 N -0.11 2.23 0.60 4.45 -7.23 0.16 -3.23 120.40 117.28 3k2f s VAL 218 Ca 0.09 -2.31 -0.14 0.00 -1.81 0.00 0.00 61.98 57.81 3k2f s VAL 218 Cb -0.12 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3k2f s VAL 218 CO 0.01 -0.43 1.04 -0.94 -0.31 0.00 0.00 175.10 174.46 3k2f s SER 219 N -3.36 5.92 0.30 4.85 1.04 -1.14 -0.05 113.70 121.26 3k2f s SER 219 Ca 0.27 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.44 3k2f s SER 219 Cb -0.04 -2.51 0.79 0.00 0.10 0.00 0.00 66.02 64.35 3k2f s SER 219 CO 0.12 -1.07 1.72 -1.28 0.98 0.00 0.00 173.24 173.71 3k2f h SER 220 N 0.23 0.52 1.29 7.02 0.87 -1.93 -2.55 113.55 119.01 3k2f h SER 220 Ca -0.46 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 3k2f h SER 220 Cb 1.21 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3k2f h SER 220 CO 0.59 0.07 -0.50 1.05 -0.53 0.00 0.00 176.83 177.51 3k2f h GLU 221 N 0.51 0.00 -0.09 2.24 9.09 -1.95 -1.46 114.58 122.92 3k2f h GLU 221 Ca 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.99 3k2f h GLU 221 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3k2f h GLU 221 CO -0.49 0.50 -0.00 1.96 0.05 0.00 0.00 179.01 181.02 3k2f h GLN 222 N 0.00 0.17 -0.52 1.06 4.20 -1.84 -2.67 115.11 115.51 3k2f h GLN 222 Ca -0.00 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3k2f h GLN 222 Cb 1.28 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3k2f h GLN 222 CO 0.06 0.44 -0.03 0.28 -0.67 0.00 0.00 178.83 178.92 3k2f h VAL 223 N -0.12 1.26 -0.79 -0.54 2.07 -1.44 -2.61 116.25 114.08 3k2f h VAL 223 Ca 0.03 -1.10 0.14 0.00 0.82 0.00 0.00 66.70 66.58 3k2f h VAL 223 Cb 0.37 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3k2f h VAL 223 CO 0.01 0.39 0.52 -0.07 0.02 0.00 0.00 177.57 178.44 3k2f h LEU 224 N 0.82 0.51 -0.52 2.57 3.38 -1.28 -0.65 115.31 120.15 3k2f h LEU 224 Ca 0.15 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3k2f h LEU 224 Cb 0.53 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3k2f h LEU 224 CO 0.03 0.27 -0.62 0.11 0.09 0.00 0.00 178.44 178.31 3k2f h LYS 225 N 0.55 0.00 -0.76 1.13 1.57 -1.10 -2.92 116.57 115.03 3k2f h LYS 225 Ca 0.39 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 3k2f h LYS 225 Cb 0.73 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 3k2f h LYS 225 CO -0.15 0.62 0.48 0.74 -0.57 0.00 0.00 179.45 180.57 3k2f h PHE 226 N 0.00 0.89 0.00 -1.35 -1.00 -1.00 -2.98 116.94 111.51 3k2f h PHE 226 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3k2f h PHE 226 Cb 1.24 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.51 3k2f h PHE 226 CO 0.00 0.49 0.00 0.54 -1.61 0.00 0.00 178.31 177.73 3k2f n ARG 227 N -4.64 0.07 0.04 1.51 1.74 -0.94 -2.03 116.66 112.42 3k2f n ARG 227 Ca 0.09 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 3k2f n ARG 227 Cb 0.11 -1.63 0.26 0.00 -1.02 0.00 0.00 32.46 30.18 3k2f n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k2f n LYS 228 N -1.76 0.18 -1.32 5.56 5.02 -1.12 -4.31 118.16 120.40 3k2f n LYS 228 Ca 0.03 0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 3k2f n LYS 228 Cb 0.20 -1.63 0.10 0.00 -0.02 0.00 0.00 35.03 33.68 3k2f n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k2f n LEU 229 N -1.89 4.34 -4.50 -0.35 4.32 -0.86 -4.81 117.00 113.25 3k2f n LEU 229 Ca 0.04 0.66 -0.33 0.00 -0.02 0.00 0.00 56.01 56.36 3k2f n LEU 229 Cb 0.40 -1.48 -0.12 0.00 -1.62 0.00 0.00 43.42 40.60 3k2f n LEU 229 CO 0.34 -1.71 -0.41 0.20 -1.22 0.00 0.00 177.39 174.59 3k2f s ASN 230 N -1.78 4.36 0.30 -1.43 0.02 0.86 0.12 114.94 117.39 3k2f s ASN 230 Ca 0.75 -0.14 0.08 0.00 -1.02 0.00 0.00 52.86 52.53 3k2f s ASN 230 Cb -0.33 -1.22 0.46 0.00 0.02 0.00 0.00 41.25 40.18 3k2f s ASN 230 CO 0.49 0.30 1.69 -0.26 0.02 0.00 0.00 177.10 179.34 3k2f h PHE 231 N 5.70 0.21 -4.39 2.20 0.05 -1.26 -3.36 116.94 116.08 3k2f h PHE 231 Ca -0.42 -0.06 -0.50 0.00 3.82 0.00 0.00 57.97 60.80 3k2f h PHE 231 Cb 1.18 -0.04 0.07 0.00 2.00 0.00 0.00 35.95 39.15 3k2f h PHE 231 CO 0.53 0.60 0.42 0.54 -0.18 0.00 0.00 178.31 180.22 3k2f s ASN 232 N -6.89 5.99 0.63 2.17 4.22 -1.26 -4.44 114.94 115.37 3k2f s ASN 232 Ca -0.04 1.34 -0.10 0.00 -2.14 0.00 0.00 52.86 51.92 3k2f s ASN 232 Cb 0.13 -2.32 -0.01 0.00 1.28 0.00 0.00 41.25 40.33 3k2f s ASN 232 CO 0.77 -1.01 1.01 -0.83 -2.04 0.00 0.00 177.10 174.99 3k2f s GLY 233 N -4.23 1.62 0.11 0.45 0.00 -1.26 0.17 107.32 104.18 3k2f s GLY 233 Ca 0.56 -0.32 -0.36 0.00 0.00 0.00 0.00 44.72 44.60 3k2f s GLY 233 CO 0.53 -0.03 1.32 -2.21 0.00 0.00 0.00 173.10 172.71 3k2f n GLU 234 N -2.76 1.19 -1.53 2.90 2.13 -1.26 -2.09 120.64 119.21 3k2f n GLU 234 Ca 0.05 0.43 -0.08 0.00 0.66 0.00 0.00 57.16 58.22 3k2f n GLU 234 Cb 0.56 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 3k2f n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k2f n GLY 235 N 2.46 0.70 3.71 8.31 0.00 -1.26 -5.05 105.19 114.06 3k2f n GLY 235 Ca 0.18 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 3k2f n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k2f s GLU 236 N -3.25 2.43 0.45 1.61 2.02 -0.89 -5.11 118.70 115.96 3k2f s GLU 236 Ca 0.00 -1.40 -0.21 0.00 0.02 0.00 0.00 54.97 53.38 3k2f s GLU 236 Cb 0.00 -2.24 -0.12 0.00 0.10 0.00 0.00 34.13 31.88 3k2f s GLU 236 CO 0.00 0.28 0.53 -2.30 0.02 0.00 0.00 175.26 173.79 3k2f n PRO 237 N -1.03 0.56 -2.81 0.39 -0.02 -1.26 -4.86 135.00 125.98 3k2f n PRO 237 Ca -0.05 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 3k2f n PRO 237 Cb 0.60 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 3k2f n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3k2f s GLU 238 N -1.66 3.83 -0.30 -0.52 2.12 -1.26 -4.76 118.70 116.15 3k2f s GLU 238 Ca 0.64 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.54 3k2f s GLU 238 Cb -0.57 -3.81 0.06 0.00 0.26 0.00 0.00 34.13 30.08 3k2f s GLU 238 CO 0.58 -0.96 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.33 3k2f s GLU 239 N 3.48 2.25 0.24 4.30 2.12 -1.26 -5.07 118.70 124.77 3k2f s GLU 239 Ca 0.38 -1.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.02 3k2f s GLU 239 Cb -0.12 -3.12 -0.10 0.00 0.26 0.00 0.00 34.13 31.05 3k2f s GLU 239 CO 0.19 -0.67 1.43 -0.51 -0.54 0.00 0.00 175.26 175.16 3k2f s LEU 240 N 1.16 4.39 -0.91 2.70 1.43 -1.26 -0.89 118.68 125.29 3k2f s LEU 240 Ca -0.04 2.65 -0.24 0.00 -1.03 0.00 0.00 54.13 55.46 3k2f s LEU 240 Cb -0.20 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3k2f s LEU 240 CO -0.03 -0.69 1.65 -0.32 0.23 0.00 0.00 176.35 177.19 3k2f s MET 241 N -0.33 3.09 0.05 1.70 -2.45 0.33 -4.58 119.30 117.10 3k2f s MET 241 Ca 0.59 -0.57 -0.02 0.00 -1.25 0.00 0.00 55.69 54.44 3k2f s MET 241 Cb -0.41 -5.04 -0.03 0.00 1.25 0.00 0.00 34.83 30.59 3k2f s MET 241 CO 0.43 -2.68 0.00 0.14 1.05 0.00 0.00 175.02 173.96 3k2f s VAL 242 N 7.28 0.19 -1.48 10.11 -7.23 -1.26 -4.36 120.40 123.65 3k2f s VAL 242 Ca 0.55 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 3k2f s VAL 242 Cb -0.04 -1.30 0.07 0.00 0.56 0.00 0.00 36.38 35.67 3k2f s VAL 242 CO -0.01 -0.87 0.98 0.47 -0.31 0.00 0.00 175.10 175.36 3k2f n ASP 243 N 0.33 -4.55 -2.21 4.85 10.43 -0.06 -4.85 116.55 120.49 3k2f n ASP 243 Ca -0.16 -0.75 -0.21 0.00 2.57 0.00 0.00 54.79 56.24 3k2f n ASP 243 Cb 0.60 -4.05 -0.03 0.00 1.84 0.00 0.00 41.12 39.47 3k2f n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3k2f n ASN 244 N -2.89 6.32 -4.42 -2.24 6.94 -1.12 -4.90 115.26 112.95 3k2f n ASN 244 Ca -0.01 -3.06 -0.30 0.00 -0.02 0.00 0.00 54.58 51.19 3k2f n ASN 244 Cb 0.55 -1.19 -0.13 0.00 -2.36 0.00 0.00 39.78 36.65 3k2f n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3k2f s TRP 245 N -1.43 2.44 -0.04 -2.53 1.48 -1.26 -4.63 118.94 112.97 3k2f s TRP 245 Ca 0.48 -0.32 -0.21 0.00 -1.06 0.00 0.00 56.10 54.99 3k2f s TRP 245 Cb 0.32 -1.37 -0.05 0.00 -1.16 0.00 0.00 33.47 31.21 3k2f s TRP 245 CO -0.12 0.27 0.61 0.50 -4.06 0.00 0.00 176.95 174.15 3k2f s ARG 246 N -1.69 4.36 0.88 3.25 3.52 -1.26 -4.96 118.95 123.06 3k2f s ARG 246 Ca 0.15 0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 56.37 3k2f s ARG 246 Cb -0.10 -3.39 0.12 0.00 -1.56 0.00 0.00 34.95 30.02 3k2f s ARG 246 CO 0.06 0.24 1.10 -2.14 -0.81 0.00 0.00 175.30 173.74 3k2f s PRO 247 N 0.25 1.34 0.32 5.12 0.02 -1.26 -4.59 135.00 136.19 3k2f s PRO 247 Ca 0.32 1.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.15 3k2f s PRO 247 Cb -0.18 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.43 3k2f s PRO 247 CO 0.16 -2.27 1.48 0.00 -0.33 0.00 0.00 177.00 176.05 3k2f n ALA 248 N -3.94 2.04 -2.72 -1.55 0.00 -1.26 -4.35 120.51 108.74 3k2f n ALA 248 Ca 0.08 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 3k2f n ALA 248 Cb 0.54 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 3k2f n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k2f s GLN 249 N -1.16 2.76 0.28 0.00 -1.52 0.89 -4.94 119.66 115.98 3k2f s GLN 249 Ca 0.60 -1.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 3k2f s GLN 249 Cb -0.53 -2.47 -0.11 0.00 -0.22 0.00 0.00 33.01 29.69 3k2f s GLN 249 CO 0.55 0.32 1.53 -2.14 -0.25 0.00 0.00 175.29 175.31 3k2f s PRO 250 N -3.84 4.18 0.14 2.91 0.02 -1.26 -4.46 135.00 132.68 3k2f s PRO 250 Ca 0.34 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 63.70 3k2f s PRO 250 Cb -0.07 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3k2f s PRO 250 CO 0.24 -0.55 1.61 1.25 -0.33 0.00 0.00 177.00 179.23 3k2f h LEU 251 N 4.82 0.76 -2.89 -5.54 5.85 -1.95 -3.44 115.31 112.93 3k2f h LEU 251 Ca -0.47 -0.28 -0.37 0.00 0.84 0.00 0.00 57.88 57.60 3k2f h LEU 251 Cb 1.22 -0.20 0.13 0.00 0.37 0.00 0.00 40.66 42.17 3k2f h LEU 251 CO 0.78 0.85 -0.91 0.29 -0.34 0.00 0.00 178.44 179.11 3k2f n LYS 252 N -4.42 -1.73 0.00 1.25 5.02 -1.26 -3.39 118.16 113.63 3k2f n LYS 252 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3k2f n LYS 252 Cb 0.27 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 3k2f n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k2f n ASN 253 N -2.88 0.00 -4.44 4.39 4.05 -1.26 -4.99 115.26 110.13 3k2f n ASN 253 Ca -0.09 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.56 3k2f n ASN 253 Cb 0.60 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.65 3k2f n ASN 253 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3k2f n ARG 254 N 0.00 0.44 -4.74 1.20 1.74 -1.22 -5.01 116.66 109.07 3k2f n ARG 254 Ca 0.00 0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 3k2f n ARG 254 Cb 0.00 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 3k2f n ARG 254 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k2f s GLN 255 N -1.97 2.88 -0.29 5.56 -0.21 -1.26 -5.04 119.66 119.32 3k2f s GLN 255 Ca 0.67 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 55.26 3k2f s GLN 255 Cb -0.45 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 30.99 3k2f s GLN 255 CO 0.56 0.51 0.42 0.42 -2.12 0.00 0.00 175.29 175.08 3k2f s ILE 256 N -0.42 5.13 -0.11 1.08 1.01 -1.26 -4.66 121.20 121.96 3k2f s ILE 256 Ca 0.05 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 3k2f s ILE 256 Cb -0.12 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3k2f s ILE 256 CO 0.02 0.04 0.24 -0.54 0.00 0.00 0.00 174.94 174.70 3k2f s LYS 257 N 2.16 3.86 -0.07 2.79 1.02 -0.30 -2.40 119.74 126.80 3k2f s LYS 257 Ca 0.16 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.14 3k2f s LYS 257 Cb -0.16 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3k2f s LYS 257 CO 0.11 0.56 0.15 0.00 -0.92 0.00 0.00 175.35 175.24 3k2f s ALA 258 N -0.46 3.86 -1.41 5.17 0.00 0.48 -0.35 121.76 129.05 3k2f s ALA 258 Ca 0.16 -0.71 0.28 0.00 0.00 0.00 0.00 51.96 51.70 3k2f s ALA 258 Cb -0.13 -1.89 1.16 0.00 0.00 0.00 0.00 23.12 22.27 3k2f s ALA 258 CO 0.05 0.67 1.84 -1.13 0.00 0.00 0.00 175.76 177.19 3k2f n SER 259 N 1.54 0.33 0.00 0.00 3.41 -0.26 -1.42 113.62 117.21 3k2f n SER 259 Ca -0.16 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3k2f n SER 259 Cb 0.54 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3k2f n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10