#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n GLU 4 N 0.00 0.00 0.00 5.31 1.02 -1.26 -5.18 120.64 120.53 3k1f n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3k1f n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3k1f n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 5 N 0.50 3.69 3.56 0.62 0.00 -1.26 -5.06 105.19 107.24 3k1f n GLY 5 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3k1f n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1f s PRO 6 N 3.18 3.37 0.46 1.61 0.04 -1.26 -4.90 135.00 137.50 3k1f s PRO 6 Ca 0.00 -0.71 -0.25 0.00 0.04 0.00 0.00 61.00 60.08 3k1f s PRO 6 Cb 0.00 -4.88 -0.08 0.00 0.04 0.00 0.00 34.50 29.58 3k1f s PRO 6 CO 0.00 -2.25 1.42 -0.65 0.04 0.00 0.00 177.00 175.55 3k1f s GLN 7 N 5.41 3.64 0.02 4.56 1.11 -0.96 -4.79 119.66 128.64 3k1f s GLN 7 Ca 0.44 2.39 0.07 0.00 0.01 0.00 0.00 55.36 58.26 3k1f s GLN 7 Cb -0.04 -2.62 -0.03 0.00 -1.01 0.00 0.00 33.01 29.32 3k1f s GLN 7 CO 0.01 -0.84 -0.19 0.08 0.01 0.00 0.00 175.29 174.35 3k1f s VAL 8 N -1.21 2.67 -0.32 1.09 1.01 -1.26 -1.01 120.40 121.36 3k1f s VAL 8 Ca 0.62 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k1f s VAL 8 Cb -0.43 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 33.98 3k1f s VAL 8 CO 0.55 0.41 0.14 -0.54 0.00 0.00 0.00 175.10 175.66 3k1f s LYS 9 N -1.22 0.49 -0.03 2.72 3.01 -0.25 -5.01 119.74 119.45 3k1f s LYS 9 Ca 0.13 -0.93 -0.30 0.00 -1.01 0.00 0.00 55.97 53.86 3k1f s LYS 9 Cb -0.10 -1.52 -0.05 0.00 -1.01 0.00 0.00 37.83 35.14 3k1f s LYS 9 CO 0.03 -1.05 1.54 0.42 0.51 0.00 0.00 175.35 176.80 3k1f s ILE 10 N 1.66 3.61 -0.03 2.17 1.01 -1.26 -1.73 121.20 126.63 3k1f s ILE 10 Ca 0.11 0.87 -0.00 0.00 0.00 0.00 0.00 60.65 61.63 3k1f s ILE 10 Cb -0.18 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 3k1f s ILE 10 CO -0.25 -0.04 -0.01 0.03 0.00 0.00 0.00 174.94 174.67 3k1f h ARG 11 N 8.72 0.00 -5.51 2.79 3.08 -1.28 -3.49 114.38 118.69 3k1f h ARG 11 Ca -0.38 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.19 3k1f h ARG 11 Cb 1.17 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.97 3k1f h ARG 11 CO 0.94 0.00 -0.81 -1.21 -1.07 0.00 0.00 179.97 177.82 3k1f s GLU 12 N -1.19 1.06 -0.06 0.04 8.01 -0.95 -5.02 118.70 120.59 3k1f s GLU 12 Ca -0.01 -0.79 0.04 0.00 0.01 0.00 0.00 54.97 54.22 3k1f s GLU 12 Cb 0.00 -1.09 -0.00 0.00 -4.31 0.00 0.00 34.13 28.73 3k1f s GLU 12 CO 0.01 0.27 -0.18 0.00 0.01 0.00 0.00 175.26 175.37 3k1f s ALA 13 N -0.81 1.65 0.28 5.21 0.00 -1.26 -2.06 121.76 124.76 3k1f s ALA 13 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3k1f s ALA 13 Cb -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 3k1f s ALA 13 CO 0.01 0.27 0.33 0.45 0.00 0.00 0.00 175.76 176.81 3k1f n SER 14 N 3.30 -0.88 -0.17 0.00 2.88 -0.33 -5.03 113.62 113.39 3k1f n SER 14 Ca -0.19 -2.65 -0.04 0.00 -1.33 0.00 0.00 58.87 54.66 3k1f n SER 14 Cb 0.53 1.77 0.14 0.00 -0.75 0.00 0.00 64.21 65.89 3k1f n SER 14 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3k1f h LYS 15 N 0.00 0.94 0.00 -1.46 3.64 -2.02 -3.38 116.57 114.29 3k1f h LYS 15 Ca -0.21 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 58.79 3k1f h LYS 15 Cb 0.97 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3k1f h LYS 15 CO 0.29 0.84 -1.65 -0.25 -2.27 0.00 0.00 179.45 176.40 3k1f n ASP 16 N -4.26 2.27 -4.80 4.20 9.92 -1.26 -4.62 116.55 118.00 3k1f n ASP 16 Ca 0.04 0.02 -0.31 0.00 -0.53 0.00 0.00 54.79 54.01 3k1f n ASP 16 Cb 0.24 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 3k1f n ASP 16 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3k1f s ASN 17 N -5.47 5.70 -0.29 -2.24 0.01 -1.26 -0.03 114.94 111.35 3k1f s ASN 17 Ca -0.16 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.02 3k1f s ASN 17 Cb 0.05 -1.59 0.10 0.00 0.41 0.00 0.00 41.25 40.22 3k1f s ASN 17 CO 0.24 0.18 0.12 -0.69 -1.51 0.00 0.00 177.10 175.45 3k1f s VAL 18 N -1.39 0.22 -0.29 1.60 1.01 -0.73 -1.19 120.40 119.64 3k1f s VAL 18 Ca 0.30 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 3k1f s VAL 18 Cb -0.12 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3k1f s VAL 18 CO 0.22 -0.71 0.66 -0.62 0.00 0.00 0.00 175.10 174.66 3k1f s ASP 19 N 1.95 6.56 0.10 3.32 2.15 -0.87 -1.74 116.67 128.14 3k1f s ASP 19 Ca 0.09 0.58 -0.10 0.00 0.43 0.00 0.00 52.55 53.56 3k1f s ASP 19 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3k1f s ASP 19 CO -0.33 -0.47 0.22 0.72 -0.17 0.00 0.00 175.17 175.14 3k1f s PHE 20 N 2.64 0.12 -0.17 -5.34 -0.12 -0.32 -0.72 117.98 114.07 3k1f s PHE 20 Ca 0.27 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 3k1f s PHE 20 Cb -0.15 -0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 3k1f s PHE 20 CO 0.11 -0.57 -0.16 0.42 -0.05 0.00 0.00 175.22 174.97 3k1f s ILE 21 N -3.86 2.48 -0.43 -4.49 1.01 -0.70 -1.28 121.20 113.93 3k1f s ILE 21 Ca 0.05 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 3k1f s ILE 21 Cb 0.04 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 40.51 3k1f s ILE 21 CO -0.11 0.51 0.32 -0.22 0.00 0.00 0.00 174.94 175.45 3k1f s LEU 22 N 1.10 5.27 0.20 2.97 2.96 -0.32 -1.09 118.68 129.77 3k1f s LEU 22 Ca 0.00 -1.16 0.07 0.00 -0.22 0.00 0.00 54.13 52.82 3k1f s LEU 22 Cb -0.14 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3k1f s LEU 22 CO -0.06 -0.53 0.09 -0.94 -1.32 0.00 0.00 176.35 173.59 3k1f s SER 23 N 2.08 5.16 -1.43 3.68 1.04 -0.18 -1.06 113.70 123.00 3k1f s SER 23 Ca 0.04 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 3k1f s SER 23 Cb -0.22 -1.23 0.01 0.00 0.10 0.00 0.00 66.02 64.68 3k1f s SER 23 CO 0.07 0.04 0.61 -3.20 0.98 0.00 0.00 173.24 171.74 3k1f n ASN 24 N -0.53 -5.84 -4.69 7.02 5.15 -1.26 -2.28 115.26 112.84 3k1f n ASN 24 Ca -0.08 -0.28 -0.27 0.00 -0.60 0.00 0.00 54.58 53.35 3k1f n ASN 24 Cb 0.56 -4.64 -0.09 0.00 -0.53 0.00 0.00 39.78 35.08 3k1f n ASN 24 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3k1f s VAL 25 N -3.15 2.10 0.05 3.44 1.01 -1.26 -4.30 120.40 118.29 3k1f s VAL 25 Ca 0.30 -1.85 0.03 0.00 0.00 0.00 0.00 61.98 60.46 3k1f s VAL 25 Cb -0.13 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3k1f s VAL 25 CO 0.37 0.00 0.05 -1.81 0.00 0.00 0.00 175.10 173.71 3k1f s ASP 26 N -3.82 5.36 0.62 3.32 1.11 -1.26 -3.95 116.67 118.05 3k1f s ASP 26 Ca 0.37 -0.02 0.33 0.00 0.18 0.00 0.00 52.55 53.41 3k1f s ASP 26 Cb 0.07 -1.41 1.90 0.00 1.07 0.00 0.00 42.92 44.54 3k1f s ASP 26 CO 0.20 0.21 2.19 0.25 1.18 0.00 0.00 175.17 179.19 3k1f h LEU 27 N 3.66 0.00 0.79 1.23 5.85 -2.00 -1.96 115.31 122.87 3k1f h LEU 27 Ca -0.48 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3k1f h LEU 27 Cb 1.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.21 3k1f h LEU 27 CO 0.62 0.00 -0.38 0.00 -0.34 0.00 0.00 178.44 178.34 3k1f h ALA 28 N 1.83 -1.06 -0.63 1.25 0.00 -1.96 -1.15 119.26 117.54 3k1f h ALA 28 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3k1f h ALA 28 Cb 0.27 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3k1f h ALA 28 CO -0.00 -1.07 0.30 0.52 0.00 0.00 0.00 179.25 179.00 3k1f h MET 29 N -1.11 0.90 0.32 0.00 2.86 -1.79 -0.71 114.93 115.39 3k1f h MET 29 Ca -0.11 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3k1f h MET 29 Cb 0.82 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3k1f h MET 29 CO 0.18 0.70 -0.15 0.00 1.06 0.00 0.00 176.91 178.70 3k1f h ALA 30 N 1.43 -0.43 0.39 6.32 0.00 -1.35 -1.62 119.26 124.01 3k1f h ALA 30 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k1f h ALA 30 Cb 0.10 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k1f h ALA 30 CO -0.03 -0.64 -0.19 -0.97 0.00 0.00 0.00 179.25 177.43 3k1f h ASN 31 N -0.63 -0.45 -0.71 0.00 -1.24 -1.10 -1.63 115.58 109.83 3k1f h ASN 31 Ca -0.04 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.06 3k1f h ASN 31 Cb 0.45 0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.55 3k1f h ASN 31 CO 0.07 -0.32 0.38 0.28 -1.29 0.00 0.00 177.43 176.55 3k1f h SER 32 N -0.53 0.53 0.17 1.15 0.02 -1.21 -0.90 113.55 112.78 3k1f h SER 32 Ca -0.05 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k1f h SER 32 Cb 0.41 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3k1f h SER 32 CO 0.09 0.32 -0.08 0.25 -1.14 0.00 0.00 176.83 176.27 3k1f h LEU 33 N 0.67 -0.19 -0.89 5.07 5.85 -1.17 -0.92 115.31 123.72 3k1f h LEU 33 Ca 0.33 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.20 3k1f h LEU 33 Cb 0.29 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 3k1f h LEU 33 CO -0.23 -0.12 0.48 -0.09 -0.34 0.00 0.00 178.44 178.14 3k1f h ARG 34 N -0.24 0.65 -0.28 1.25 2.43 -0.72 -0.96 114.38 116.51 3k1f h ARG 34 Ca -0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3k1f h ARG 34 Cb 0.18 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3k1f h ARG 34 CO 0.04 0.43 -0.17 0.00 -1.51 0.00 0.00 179.97 178.76 3k1f h ARG 35 N 0.67 0.62 -0.39 0.20 3.08 -0.91 -2.86 114.38 114.79 3k1f h ARG 35 Ca 0.49 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3k1f h ARG 35 Cb 0.70 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3k1f h ARG 35 CO -0.36 0.87 0.25 0.28 -1.07 0.00 0.00 179.97 179.93 3k1f h VAL 36 N 0.36 1.11 -0.24 2.04 2.07 -0.41 -1.24 116.25 119.95 3k1f h VAL 36 Ca 0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3k1f h VAL 36 Cb 0.70 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3k1f h VAL 36 CO 0.05 0.11 0.01 0.24 0.02 0.00 0.00 177.57 178.00 3k1f h MET 37 N 0.52 0.35 0.01 1.57 2.86 -1.22 -1.09 114.93 117.92 3k1f h MET 37 Ca 0.14 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3k1f h MET 37 Cb -0.03 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.57 3k1f h MET 37 CO -0.03 0.36 -0.23 0.82 1.06 0.00 0.00 176.91 178.90 3k1f h ILE 38 N 0.34 1.60 0.00 -1.22 2.04 -1.28 -3.36 117.51 115.63 3k1f h ILE 38 Ca 0.08 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.88 3k1f h ILE 38 Cb 0.21 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3k1f h ILE 38 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3k1f n ALA 39 N -2.56 0.00 0.65 1.87 0.00 -0.49 -4.50 120.51 115.48 3k1f n ALA 39 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3k1f n ALA 39 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3k1f n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k1f n GLU 40 N -1.33 0.35 -3.00 0.00 4.71 -0.43 -1.67 120.64 119.26 3k1f n GLU 40 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 3k1f n GLU 40 Cb 0.00 -1.02 -0.05 0.00 -1.01 0.00 0.00 31.44 29.36 3k1f n GLU 40 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3k1f s ILE 41 N -1.87 4.95 0.31 -3.67 1.01 -1.21 -4.98 121.20 115.73 3k1f s ILE 41 Ca 0.00 1.43 -0.28 0.00 0.00 0.00 0.00 60.65 61.80 3k1f s ILE 41 Cb 0.00 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3k1f s ILE 41 CO 0.00 0.08 1.09 -2.16 0.00 0.00 0.00 174.94 173.95 3k1f s PRO 42 N 1.94 4.53 0.20 2.79 0.04 -1.26 -4.55 135.00 138.69 3k1f s PRO 42 Ca 0.34 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3k1f s PRO 42 Cb -0.16 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3k1f s PRO 42 CO 0.12 0.13 0.08 0.99 0.04 0.00 0.00 177.00 178.36 3k1f s THR 43 N -1.27 0.35 -0.17 1.26 2.01 -0.47 -4.94 115.64 112.40 3k1f s THR 43 Ca 0.47 -1.98 -0.01 0.00 0.31 0.00 0.00 61.69 60.48 3k1f s THR 43 Cb -0.30 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 3k1f s THR 43 CO 0.38 -0.18 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.80 3k1f s LEU 44 N -3.20 2.67 0.05 4.42 0.20 -1.26 -1.37 118.68 120.20 3k1f s LEU 44 Ca 0.33 -0.42 -0.09 0.00 0.69 0.00 0.00 54.13 54.64 3k1f s LEU 44 Cb 0.07 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 3k1f s LEU 44 CO 0.09 0.06 0.19 0.00 -0.29 0.00 0.00 176.35 176.41 3k1f s ALA 45 N 0.97 -0.33 0.11 5.97 0.00 -0.58 -3.72 121.76 124.19 3k1f s ALA 45 Ca -0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 3k1f s ALA 45 Cb -0.15 0.33 -0.11 0.00 0.00 0.00 0.00 23.12 23.19 3k1f s ALA 45 CO -0.01 -0.39 1.86 -0.89 0.00 0.00 0.00 175.76 176.32 3k1f n ILE 46 N 0.52 0.41 -0.08 0.00 5.41 -1.26 -1.25 119.36 123.11 3k1f n ILE 46 Ca -0.18 -0.07 -0.09 0.00 1.00 0.00 0.00 62.75 63.41 3k1f n ILE 46 Cb 0.60 -2.15 -0.11 0.00 -0.71 0.00 0.00 39.64 37.27 3k1f n ILE 46 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3k1f n ASP 47 N 5.86 1.52 -3.63 4.38 2.03 -0.24 -4.47 116.55 121.99 3k1f n ASP 47 Ca 0.18 -0.03 -0.24 0.00 0.52 0.00 0.00 54.79 55.22 3k1f n ASP 47 Cb 0.38 0.58 -0.17 0.00 -0.72 0.00 0.00 41.12 41.18 3k1f n ASP 47 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3k1f s SER 48 N -5.15 1.99 0.06 1.67 1.04 -0.90 -5.03 113.70 107.38 3k1f s SER 48 Ca -0.12 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 3k1f s SER 48 Cb 0.05 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.89 3k1f s SER 48 CO 0.59 -0.32 0.41 -0.69 0.98 0.00 0.00 173.24 174.21 3k1f s VAL 49 N 2.14 5.06 -0.29 5.02 1.01 -1.26 -0.96 120.40 131.11 3k1f s VAL 49 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3k1f s VAL 49 Cb -0.15 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3k1f s VAL 49 CO -0.07 0.38 -0.03 -1.61 0.00 0.00 0.00 175.10 173.77 3k1f s GLU 50 N -1.65 2.27 -0.23 2.72 2.02 -0.00 -4.99 118.70 118.85 3k1f s GLU 50 Ca 0.30 -1.37 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 3k1f s GLU 50 Cb -0.15 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3k1f s GLU 50 CO 0.16 -0.65 1.16 0.08 0.02 0.00 0.00 175.26 176.04 3k1f s VAL 51 N 1.17 4.44 -0.23 2.63 1.01 -1.26 -2.22 120.40 125.94 3k1f s VAL 51 Ca -0.05 1.72 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 3k1f s VAL 51 Cb -0.20 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 3k1f s VAL 51 CO -0.03 -0.24 -0.30 1.21 0.00 0.00 0.00 175.10 175.74 3k1f n GLU 52 N 6.63 0.56 -3.77 2.72 2.13 -0.66 -5.00 120.64 123.25 3k1f n GLU 52 Ca 0.13 0.29 -0.14 0.00 0.66 0.00 0.00 57.16 58.09 3k1f n GLU 52 Cb 0.46 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.51 3k1f n GLU 52 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3k1f s THR 53 N -2.63 -0.05 -0.17 6.31 2.01 -1.07 -4.98 115.64 115.06 3k1f s THR 53 Ca -0.33 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 3k1f s THR 53 Cb 0.09 -0.15 0.06 0.00 0.01 0.00 0.00 72.50 72.52 3k1f s THR 53 CO 0.46 0.08 0.05 0.21 -0.69 0.00 0.00 174.62 174.73 3k1f s ASN 54 N 1.07 2.60 0.00 3.53 2.47 -1.26 -1.06 114.94 122.28 3k1f s ASN 54 Ca -0.09 -0.68 0.01 0.00 0.42 0.00 0.00 52.86 52.52 3k1f s ASN 54 Cb -0.12 -0.46 0.01 0.00 -1.45 0.00 0.00 41.25 39.23 3k1f s ASN 54 CO -0.04 -0.31 0.51 0.35 -3.72 0.00 0.00 177.10 173.89 3k1f n THR 55 N 5.14 0.00 -0.89 -5.21 -2.24 -0.65 -5.03 114.28 105.40 3k1f n THR 55 Ca -0.08 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 3k1f n THR 55 Cb 0.48 1.02 0.14 0.00 -2.10 0.00 0.00 70.33 69.87 3k1f n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k1f s THR 56 N -0.09 2.27 -2.00 4.28 2.01 -1.26 -4.80 115.64 116.05 3k1f s THR 56 Ca 0.01 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3k1f s THR 56 Cb 0.01 -2.27 0.12 0.00 0.01 0.00 0.00 72.50 70.37 3k1f s THR 56 CO 0.01 -0.11 0.82 1.33 -0.69 0.00 0.00 174.62 175.98 3k1f n VAL 57 N -3.89 0.00 -4.55 3.82 0.24 -1.26 -4.75 118.33 107.94 3k1f n VAL 57 Ca 0.12 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.13 3k1f n VAL 57 Cb 0.52 -0.31 -0.14 0.00 -1.47 0.00 0.00 33.84 32.44 3k1f n VAL 57 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3k1f s LEU 58 N -1.22 2.27 0.46 1.34 1.43 -1.26 -5.15 118.68 116.55 3k1f s LEU 58 Ca 0.06 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 3k1f s LEU 58 Cb 0.03 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 3k1f s LEU 58 CO 0.05 0.20 1.11 0.00 0.23 0.00 0.00 176.35 177.94 3k1f s ALA 59 N -0.98 2.95 0.16 4.21 0.00 -1.26 -4.90 121.76 121.93 3k1f s ALA 59 Ca 0.13 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3k1f s ALA 59 Cb -0.10 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.76 3k1f s ALA 59 CO 0.05 -0.51 1.66 -0.44 0.00 0.00 0.00 175.76 176.51 3k1f h ASP 60 N 1.97 -0.48 -0.66 0.00 5.19 -1.98 -1.20 116.42 119.26 3k1f h ASP 60 Ca -0.49 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.00 3k1f h ASP 60 Cb 1.24 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.99 3k1f h ASP 60 CO 0.60 -0.18 0.25 1.05 -3.12 0.00 0.00 179.24 177.84 3k1f h GLU 61 N -0.08 1.02 0.83 3.56 9.09 -1.98 -1.33 114.58 125.70 3k1f h GLU 61 Ca 0.17 -0.19 -0.04 0.00 0.05 0.00 0.00 59.36 59.35 3k1f h GLU 61 Cb 0.34 -0.17 0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3k1f h GLU 61 CO -0.39 0.85 -0.40 0.35 0.05 0.00 0.00 179.01 179.47 3k1f h PHE 62 N 1.00 -1.04 -0.69 2.06 3.57 -1.76 -0.85 116.94 119.23 3k1f h PHE 62 Ca 0.23 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.82 3k1f h PHE 62 Cb 0.23 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 3k1f h PHE 62 CO 0.02 -0.65 0.28 0.82 -2.23 0.00 0.00 178.31 176.55 3k1f h ILE 63 N -1.19 0.73 -0.60 1.41 2.04 -1.24 -1.34 117.51 117.32 3k1f h ILE 63 Ca -0.11 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3k1f h ILE 63 Cb 0.86 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3k1f h ILE 63 CO 0.19 0.08 0.36 0.00 0.00 0.00 0.00 178.15 178.78 3k1f h ALA 64 N 1.48 0.79 -0.61 1.87 0.00 -1.17 -0.85 119.26 120.76 3k1f h ALA 64 Ca 0.36 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3k1f h ALA 64 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3k1f h ALA 64 CO -0.34 0.07 0.16 1.25 0.00 0.00 0.00 179.25 180.39 3k1f h HIS 65 N 0.69 1.00 -0.21 0.00 -0.00 -0.32 -2.91 115.15 113.41 3k1f h HIS 65 Ca 0.25 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3k1f h HIS 65 Cb 0.07 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3k1f h HIS 65 CO -0.07 0.84 0.13 0.00 -0.00 0.00 0.00 177.93 178.83 3k1f h ARG 66 N 0.88 0.28 -0.45 5.26 3.08 -0.72 -2.72 114.38 119.99 3k1f h ARG 66 Ca 0.19 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.32 3k1f h ARG 66 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3k1f h ARG 66 CO -0.00 0.23 0.31 -0.07 -1.07 0.00 0.00 179.97 179.37 3k1f h LEU 67 N 0.26 0.14 -0.18 3.04 3.38 -1.12 -0.89 115.31 119.94 3k1f h LEU 67 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3k1f h LEU 67 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3k1f h LEU 67 CO -0.01 0.09 0.01 1.23 0.09 0.00 0.00 178.44 179.84 3k1f h GLY 68 N 0.16 0.33 2.00 0.83 0.00 -1.29 -3.18 103.07 101.93 3k1f h GLY 68 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3k1f h GLY 68 CO -0.03 0.22 -0.01 1.41 0.00 0.00 0.00 176.54 178.13 3k1f h LEU 69 N 0.07 0.00 -9.43 3.11 3.38 -1.01 -3.39 115.31 108.04 3k1f h LEU 69 Ca 0.05 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.48 3k1f h LEU 69 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 3k1f h LEU 69 CO 0.01 0.01 0.84 -0.63 0.09 0.00 0.00 178.44 178.76 3k1f s ILE 70 N -4.18 3.48 0.53 1.22 1.01 -1.12 -5.01 121.20 117.12 3k1f s ILE 70 Ca -0.04 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 3k1f s ILE 70 Cb 0.13 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 3k1f s ILE 70 CO 0.46 0.02 0.96 -2.16 0.00 0.00 0.00 174.94 174.21 3k1f s PRO 71 N 2.13 3.79 0.17 2.79 0.05 -1.26 -4.65 135.00 138.02 3k1f s PRO 71 Ca 0.66 0.78 0.04 0.00 0.05 0.00 0.00 61.00 62.53 3k1f s PRO 71 Cb -0.34 -2.17 -0.05 0.00 0.05 0.00 0.00 34.50 31.99 3k1f s PRO 71 CO 0.28 -0.33 -0.09 -0.51 0.05 0.00 0.00 177.00 176.41 3k1f s LEU 72 N -4.42 2.47 -0.09 -3.56 1.02 -1.24 -1.77 118.68 111.09 3k1f s LEU 72 Ca 0.56 -1.05 -0.29 0.00 0.02 0.00 0.00 54.13 53.36 3k1f s LEU 72 Cb -0.10 -0.35 -0.07 0.00 0.02 0.00 0.00 46.19 45.69 3k1f s LEU 72 CO 0.39 -0.36 1.97 -1.58 0.02 0.00 0.00 176.35 176.80 3k1f s GLN 73 N -3.76 3.77 -0.14 1.70 2.00 0.11 -4.47 119.66 118.87 3k1f s GLN 73 Ca 0.19 2.26 0.15 0.00 -2.00 0.00 0.00 55.36 55.96 3k1f s GLN 73 Cb 0.03 -4.20 0.36 0.00 0.80 0.00 0.00 33.01 30.00 3k1f s GLN 73 CO 0.02 -1.36 1.18 0.43 -0.50 0.00 0.00 175.29 175.06 3k1f n SER 74 N 8.95 1.63 -0.16 6.67 7.64 -0.51 -1.44 113.62 136.41 3k1f n SER 74 Ca 0.23 -3.27 -0.05 0.00 1.01 0.00 0.00 58.87 56.79 3k1f n SER 74 Cb 0.43 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 3k1f n SER 74 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3k1f h MET 75 N 0.68 0.47 -0.69 1.43 -1.53 -1.65 -2.80 114.93 110.83 3k1f h MET 75 Ca -0.04 -0.03 -0.36 0.00 -3.44 0.00 0.00 59.70 55.84 3k1f h MET 75 Cb 1.17 -0.11 -0.21 0.00 -0.55 0.00 0.00 31.60 31.90 3k1f h MET 75 CO 0.02 0.31 0.30 -3.47 0.14 0.00 0.00 176.91 174.21 3k1f n ASP 76 N -4.89 3.13 -0.20 1.39 -0.08 0.15 -4.72 116.55 111.32 3k1f n ASP 76 Ca 0.04 -3.70 0.23 0.00 -1.51 0.00 0.00 54.79 49.85 3k1f n ASP 76 Cb 0.13 -0.74 0.61 0.00 2.34 0.00 0.00 41.12 43.46 3k1f n ASP 76 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3k1f h ILE 77 N 1.01 0.63 0.00 5.18 1.08 -1.70 -0.53 117.51 123.18 3k1f h ILE 77 Ca 0.44 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.82 3k1f h ILE 77 Cb 2.30 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 3k1f h ILE 77 CO 0.77 0.04 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.86 3k1f h GLU 78 N 0.21 0.00 -0.00 2.37 3.07 -1.85 -1.10 114.58 117.27 3k1f h GLU 78 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3k1f h GLU 78 Cb 1.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3k1f h GLU 78 CO -0.10 0.07 -0.28 0.00 -1.40 0.00 0.00 179.01 177.30 3k1f n GLN 79 N -3.70 0.48 -3.82 2.33 10.64 -0.21 -4.84 117.38 118.27 3k1f n GLN 79 Ca -0.02 -0.25 -0.36 0.00 -1.83 0.00 0.00 57.00 54.54 3k1f n GLN 79 Cb 0.17 -1.49 -0.06 0.00 -0.86 0.00 0.00 30.24 28.00 3k1f n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3k1f s LEU 80 N -2.69 4.39 0.26 2.61 0.20 -0.42 -5.10 118.68 117.93 3k1f s LEU 80 Ca 0.20 0.51 -0.07 0.00 0.69 0.00 0.00 54.13 55.46 3k1f s LEU 80 Cb 0.19 -2.38 -0.06 0.00 -0.43 0.00 0.00 46.19 43.51 3k1f s LEU 80 CO 0.57 0.33 0.55 -1.61 -0.29 0.00 0.00 176.35 175.90 3k1f s GLU 81 N -1.41 3.71 0.37 1.98 0.41 -0.44 -4.97 118.70 118.34 3k1f s GLU 81 Ca 0.21 0.13 -0.27 0.00 -0.41 0.00 0.00 54.97 54.64 3k1f s GLU 81 Cb -0.13 -2.65 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 3k1f s GLU 81 CO 0.11 0.26 1.22 0.71 -0.49 0.00 0.00 175.26 177.07 3k1f s TYR 82 N -1.96 3.07 -0.71 1.61 1.51 -1.26 -4.25 117.35 115.36 3k1f s TYR 82 Ca 0.45 1.51 0.14 0.00 -1.01 0.00 0.00 57.07 58.17 3k1f s TYR 82 Cb -0.11 -3.50 0.65 0.00 -0.11 0.00 0.00 41.96 38.89 3k1f s TYR 82 CO 0.26 -1.51 1.44 0.45 -1.11 0.00 0.00 175.55 175.08 3k1f n SER 83 N 0.39 0.28 0.14 2.29 2.88 -1.26 -2.69 113.62 115.64 3k1f n SER 83 Ca 0.02 0.59 -0.23 0.00 -1.33 0.00 0.00 58.87 57.93 3k1f n SER 83 Cb 0.45 -0.64 -0.16 0.00 -0.75 0.00 0.00 64.21 63.11 3k1f n SER 83 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3k1f h ARG 84 N 0.00 0.49 -0.14 -1.46 0.11 -1.93 -3.33 114.38 108.11 3k1f h ARG 84 Ca 0.00 -0.83 -0.17 0.00 0.10 0.00 0.00 59.98 59.07 3k1f h ARG 84 Cb 0.16 0.31 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 3k1f h ARG 84 CO 0.00 1.40 -0.62 -0.44 0.10 0.00 0.00 179.97 180.40 3k1f h ASP 85 N 0.13 0.58 -4.02 0.08 3.32 -1.91 -3.46 116.42 111.16 3k1f h ASP 85 Ca -0.24 -0.34 -0.54 0.00 0.02 0.00 0.00 57.03 55.94 3k1f h ASP 85 Cb 2.14 -0.17 0.11 0.00 0.22 0.00 0.00 39.33 41.63 3k1f h ASP 85 CO 0.26 1.06 0.59 0.00 -1.72 0.00 0.00 179.24 179.43 3k1f h PHE 87 N 1.85 0.00 -3.32 0.00 -1.00 -1.89 -3.49 116.94 109.10 3k1f h PHE 87 Ca -0.50 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.75 3k1f h PHE 87 Cb 1.28 0.00 0.22 0.00 3.61 0.00 0.00 35.95 41.05 3k1f h PHE 87 CO 0.49 0.58 -0.62 0.00 -1.61 0.00 0.00 178.31 177.15 3k1f s GLU 89 N -3.61 3.44 4.11 0.00 2.02 -1.26 -4.71 118.70 118.69 3k1f s GLU 89 Ca 0.56 0.82 0.00 0.00 0.02 0.00 0.00 54.97 56.38 3k1f s GLU 89 Cb -0.20 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 29.94 3k1f s GLU 89 CO 0.68 -1.74 0.00 -3.47 0.02 0.00 0.00 175.26 170.74 3k1f n ASP 90 N 9.31 0.00 -4.45 -0.19 2.03 -1.26 -4.76 116.55 117.23 3k1f n ASP 90 Ca 0.16 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.23 3k1f n ASP 90 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 3k1f n ASP 90 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3k1f s HIS 91 N 0.00 2.24 0.00 -0.67 -3.43 -1.26 -4.98 115.29 107.19 3k1f s HIS 91 Ca 0.00 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 3k1f s HIS 91 Cb 0.00 -1.00 0.00 0.00 -1.43 0.00 0.00 32.58 30.15 3k1f s HIS 91 CO 0.00 0.65 0.00 0.00 -2.00 0.00 0.00 174.74 173.39 3k1f n ASP 93 N 0.00 0.60 0.12 0.00 8.00 -1.26 -0.70 116.55 123.31 3k1f n ASP 93 Ca 0.00 -0.14 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 3k1f n ASP 93 Cb 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 3k1f n ASP 93 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3k1f h LYS 94 N 0.00 0.00 0.00 -1.24 1.57 -1.97 -3.38 116.57 111.54 3k1f h LYS 94 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3k1f h LYS 94 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3k1f h LYS 94 CO 0.00 0.66 -1.18 0.00 -0.57 0.00 0.00 179.45 178.36 3k1f s SER 96 N -2.88 0.82 -0.23 0.00 1.04 0.13 -4.34 113.70 108.24 3k1f s SER 96 Ca -0.01 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 3k1f s SER 96 Cb 0.01 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 3k1f s SER 96 CO 0.13 0.08 0.14 -0.69 0.98 0.00 0.00 173.24 173.88 3k1f s VAL 97 N -0.15 5.24 -0.41 5.02 1.01 -0.62 -4.36 120.40 126.14 3k1f s VAL 97 Ca 0.02 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 3k1f s VAL 97 Cb -0.03 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3k1f s VAL 97 CO -0.00 0.38 0.44 -0.69 0.00 0.00 0.00 175.10 175.23 3k1f s VAL 98 N 0.86 5.08 0.33 2.92 1.01 -1.26 -0.88 120.40 128.47 3k1f s VAL 98 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3k1f s VAL 98 Cb -0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3k1f s VAL 98 CO 0.03 -0.37 0.56 -0.76 0.00 0.00 0.00 175.10 174.55 3k1f s LEU 99 N 2.17 4.01 -0.23 3.92 2.01 -0.45 -0.70 118.68 129.41 3k1f s LEU 99 Ca 0.13 0.58 -0.03 0.00 0.01 0.00 0.00 54.13 54.82 3k1f s LEU 99 Cb -0.17 -3.43 0.12 0.00 0.01 0.00 0.00 46.19 42.72 3k1f s LEU 99 CO 0.14 -0.27 0.30 -0.89 1.01 0.00 0.00 176.35 176.64 3k1f s THR 100 N -2.24 -0.47 -0.33 5.49 2.01 0.17 -0.65 115.64 119.63 3k1f s THR 100 Ca 0.42 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3k1f s THR 100 Cb -0.10 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 3k1f s THR 100 CO 0.34 -0.19 0.21 -0.22 -0.69 0.00 0.00 174.62 174.07 3k1f s LEU 101 N 2.43 4.42 -0.19 4.42 2.96 -0.48 -0.84 118.68 131.40 3k1f s LEU 101 Ca 0.10 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3k1f s LEU 101 Cb -0.15 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3k1f s LEU 101 CO -0.16 -0.23 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.36 3k1f s GLN 102 N 1.68 2.80 -0.07 1.98 -1.52 -1.26 -0.98 119.66 122.30 3k1f s GLN 102 Ca 0.05 -0.87 -0.10 0.00 -1.95 0.00 0.00 55.36 52.49 3k1f s GLN 102 Cb -0.17 -2.56 0.02 0.00 -0.22 0.00 0.00 33.01 30.08 3k1f s GLN 102 CO 0.09 -0.26 0.27 0.00 -0.25 0.00 0.00 175.29 175.13 3k1f s ALA 103 N 1.29 -0.66 0.00 6.09 0.00 -0.24 -5.00 121.76 123.24 3k1f s ALA 103 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3k1f s ALA 103 Cb -0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3k1f s ALA 103 CO -0.12 -0.17 -0.01 0.12 0.00 0.00 0.00 175.76 175.59 3k1f s PHE 104 N -0.33 0.08 -0.73 0.00 5.36 -1.26 -0.86 117.98 120.24 3k1f s PHE 104 Ca -0.04 -0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.60 3k1f s PHE 104 Cb -0.03 -0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 3k1f s PHE 104 CO 0.01 -0.02 1.25 0.20 -1.46 0.00 0.00 175.22 175.20 3k1f s GLY 105 N -0.16 0.93 -0.05 13.12 0.00 -1.19 -4.78 107.32 115.19 3k1f s GLY 105 Ca -0.01 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.34 3k1f s GLY 105 CO -0.00 2.59 -0.00 -2.21 0.00 0.00 0.00 173.10 173.48 3k1f n GLU 106 N 9.21 2.48 -2.52 2.90 4.07 -1.26 -3.72 120.64 131.80 3k1f n GLU 106 Ca 0.03 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.72 3k1f n GLU 106 Cb 0.49 -1.12 -0.04 0.00 -0.06 0.00 0.00 31.44 30.71 3k1f n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3k1f s SER 107 N -3.82 7.25 0.30 4.31 1.04 -1.26 -4.94 113.70 116.58 3k1f s SER 107 Ca -0.04 2.04 0.09 0.00 0.48 0.00 0.00 55.95 58.53 3k1f s SER 107 Cb 0.02 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 64.00 3k1f s SER 107 CO 0.18 -0.26 1.68 -0.33 0.98 0.00 0.00 173.24 175.49 3k1f h GLU 108 N 5.51 0.09 -0.83 4.02 4.39 -1.92 -3.11 114.58 122.73 3k1f h GLU 108 Ca -0.44 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3k1f h GLU 108 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3k1f h GLU 108 CO 0.74 0.57 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 3k1f n SER 109 N -3.95 0.98 -2.02 1.42 3.41 -1.26 -4.88 113.62 107.32 3k1f n SER 109 Ca -0.02 -1.31 -0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3k1f n SER 109 Cb 0.53 -0.33 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3k1f n SER 109 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3k1f n THR 110 N 0.30-10.60 -2.33 6.66 -1.04 -1.18 -4.93 114.28 101.16 3k1f n THR 110 Ca 0.00 2.38 -0.43 0.00 -2.04 0.00 0.00 64.05 63.96 3k1f n THR 110 Cb 0.20 -5.35 -0.02 0.00 -1.82 0.00 0.00 70.33 63.34 3k1f n THR 110 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3k1f s THR 111 N -0.45 4.04 0.29 12.58 2.01 -0.22 -4.81 115.64 129.08 3k1f s THR 111 Ca -0.00 1.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 3k1f s THR 111 Cb 0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 3k1f s THR 111 CO 0.01 -0.35 0.85 0.20 -0.69 0.00 0.00 174.62 174.64 3k1f s ASN 112 N 3.01 7.17 -0.18 3.53 0.02 -1.26 -0.93 114.94 126.29 3k1f s ASN 112 Ca 0.60 1.63 -0.02 0.00 -1.02 0.00 0.00 52.86 54.05 3k1f s ASN 112 Cb -0.20 -2.50 -0.01 0.00 0.02 0.00 0.00 41.25 38.55 3k1f s ASN 112 CO 0.23 -0.06 -0.08 -0.69 0.02 0.00 0.00 177.10 176.52 3k1f s VAL 113 N -1.65 3.26 0.28 1.60 1.01 0.02 -4.98 120.40 119.93 3k1f s VAL 113 Ca 0.49 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 62.02 3k1f s VAL 113 Cb -0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3k1f s VAL 113 CO 0.21 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.30 3k1f s TYR 114 N 0.95 2.21 -0.49 5.22 1.51 -1.26 0.19 117.35 125.68 3k1f s TYR 114 Ca -0.01 -0.39 0.19 0.00 -1.01 0.00 0.00 57.07 55.85 3k1f s TYR 114 Cb -0.15 -1.00 0.90 0.00 -0.11 0.00 0.00 41.96 41.60 3k1f s TYR 114 CO 0.00 0.65 1.57 -1.13 -1.11 0.00 0.00 175.55 175.53 3k1f n SER 115 N -0.60 0.47 0.20 2.29 3.41 -1.15 -1.22 113.62 117.02 3k1f n SER 115 Ca -0.05 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 3k1f n SER 115 Cb 0.60 -0.75 0.46 0.00 -0.26 0.00 0.00 64.21 64.27 3k1f n SER 115 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3k1f h LYS 116 N 0.00 0.00 -0.00 4.33 2.10 -1.74 -2.85 116.57 118.41 3k1f h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k1f h LYS 116 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3k1f h LYS 116 CO 0.00 0.00 -0.22 -0.25 -2.00 0.00 0.00 179.45 176.98 3k1f n ASP 117 N -2.76 0.38 -4.65 7.07 10.43 -0.36 -4.85 116.55 121.82 3k1f n ASP 117 Ca 0.03 -0.18 -0.43 0.00 2.57 0.00 0.00 54.79 56.78 3k1f n ASP 117 Cb 0.37 -0.07 -0.02 0.00 1.84 0.00 0.00 41.12 43.23 3k1f n ASP 117 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3k1f s LEU 118 N -2.80 4.11 -0.17 0.64 1.43 -1.08 -4.46 118.68 116.34 3k1f s LEU 118 Ca 0.18 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3k1f s LEU 118 Cb 0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 3k1f s LEU 118 CO 0.57 -0.86 0.50 -0.69 0.23 0.00 0.00 176.35 176.11 3k1f s VAL 119 N 3.77 5.14 -1.33 -1.59 1.01 -0.02 -4.83 120.40 122.55 3k1f s VAL 119 Ca 0.56 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.35 3k1f s VAL 119 Cb -0.21 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.43 3k1f s VAL 119 CO 0.17 0.23 1.86 -0.38 0.00 0.00 0.00 175.10 176.99 3k1f n ILE 120 N 4.23 3.92 0.06 2.22 -0.00 -1.26 0.44 119.36 128.97 3k1f n ILE 120 Ca -0.06 -3.93 -0.11 0.00 -0.00 0.00 0.00 62.75 58.65 3k1f n ILE 120 Cb 0.51 -2.45 -0.05 0.00 -0.00 0.00 0.00 39.64 37.64 3k1f n ILE 120 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3k1f h VAL 121 N 4.58 0.70 -4.00 1.39 2.07 -1.22 -3.44 116.25 116.33 3k1f h VAL 121 Ca 0.45 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.47 3k1f h VAL 121 Cb 0.75 0.70 0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3k1f h VAL 121 CO 1.59 0.00 0.47 -0.94 0.02 0.00 0.00 177.57 178.71 3k1f s SER 122 N -5.02 6.25 0.42 0.57 1.04 -1.11 -4.97 113.70 110.88 3k1f s SER 122 Ca -0.14 2.26 -0.25 0.00 0.48 0.00 0.00 55.95 58.29 3k1f s SER 122 Cb 0.08 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 3k1f s SER 122 CO 0.66 -0.86 1.26 0.21 0.98 0.00 0.00 173.24 175.49 3k1f s ASN 123 N -1.41 6.28 0.00 7.02 2.47 -1.26 -4.64 114.94 123.41 3k1f s ASN 123 Ca 0.63 2.54 0.20 0.00 0.42 0.00 0.00 52.86 56.65 3k1f s ASN 123 Cb -0.27 -2.63 0.81 0.00 -1.45 0.00 0.00 41.25 37.71 3k1f s ASN 123 CO 0.33 -0.86 1.57 0.18 -3.72 0.00 0.00 177.10 174.60 3k1f n LEU 124 N -0.02 1.31 -1.58 3.21 4.32 -1.26 -4.94 117.00 118.03 3k1f n LEU 124 Ca 0.05 -0.55 -0.05 0.00 -0.02 0.00 0.00 56.01 55.44 3k1f n LEU 124 Cb 0.45 -0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 42.15 3k1f n LEU 124 CO 0.53 0.27 -0.05 0.23 -1.22 0.00 0.00 177.39 177.16 3k1f n MET 125 N 0.09 -1.63 -2.49 3.23 2.81 -1.26 -2.69 117.12 115.17 3k1f n MET 125 Ca 0.15 0.26 -0.01 0.00 -1.81 0.00 0.00 57.70 56.29 3k1f n MET 125 Cb 0.27 -4.49 0.00 0.00 -0.71 0.00 0.00 33.22 28.29 3k1f n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k1f n GLY 126 N -0.26 -0.84 3.59 3.03 0.00 -1.26 -5.09 105.19 104.36 3k1f n GLY 126 Ca -0.05 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 3k1f n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k1f s ARG 127 N -3.10 0.92 -0.93 1.61 3.03 -1.10 -5.09 118.95 114.30 3k1f s ARG 127 Ca 0.03 0.68 -0.25 0.00 2.03 0.00 0.00 55.73 58.23 3k1f s ARG 127 Cb -0.00 0.44 -0.08 0.00 -1.03 0.00 0.00 34.95 34.28 3k1f s ARG 127 CO 0.47 -0.19 2.04 1.21 -1.13 0.00 0.00 175.30 177.70 3k1f s ASN 128 N -0.28 4.81 0.15 -2.89 3.84 -1.26 -4.84 114.94 114.47 3k1f s ASN 128 Ca -0.04 -0.69 -0.13 0.00 0.21 0.00 0.00 52.86 52.20 3k1f s ASN 128 Cb -0.03 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.12 3k1f s ASN 128 CO 0.04 -3.10 0.38 -0.51 -2.79 0.00 0.00 177.10 171.12 3k1f s ILE 129 N 11.42 0.06 -0.40 -5.21 1.10 -1.26 -0.68 121.20 126.24 3k1f s ILE 129 Ca 0.75 -0.96 -0.05 0.00 -0.51 0.00 0.00 60.65 59.87 3k1f s ILE 129 Cb -0.07 -1.52 0.05 0.00 0.15 0.00 0.00 42.46 41.07 3k1f s ILE 129 CO 0.04 -0.29 0.13 0.61 -2.11 0.00 0.00 174.94 173.31 3k1f n GLY 130 N -0.24 -0.47 3.64 1.50 0.00 -0.52 -4.78 105.19 104.32 3k1f n GLY 130 Ca -0.11 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3k1f n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1f s HIS 131 N -2.24 3.33 0.11 1.61 3.76 -1.26 -4.76 115.29 115.83 3k1f s HIS 131 Ca 0.18 0.68 -0.32 0.00 -0.15 0.00 0.00 55.06 55.44 3k1f s HIS 131 Cb -0.10 -2.66 -0.11 0.00 1.11 0.00 0.00 32.58 30.81 3k1f s HIS 131 CO 0.22 -0.16 1.79 -2.30 -0.85 0.00 0.00 174.74 173.44 3k1f n PRO 132 N 5.04 2.60 -2.04 8.40 -0.02 -1.26 0.05 135.00 147.77 3k1f n PRO 132 Ca -0.05 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3k1f n PRO 132 Cb 0.50 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 3k1f n PRO 132 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3k1f s ILE 133 N 2.51 3.54 -0.20 4.25 1.10 -0.73 -4.87 121.20 126.81 3k1f s ILE 133 Ca 0.82 0.55 -0.03 0.00 -0.51 0.00 0.00 60.65 61.49 3k1f s ILE 133 Cb -0.54 -3.70 -0.01 0.00 0.15 0.00 0.00 42.46 38.36 3k1f s ILE 133 CO 0.39 -0.43 -0.07 -0.63 -2.11 0.00 0.00 174.94 172.09 3k1f s ILE 134 N 6.54 3.26 0.00 2.00 1.01 -1.26 -4.60 121.20 128.15 3k1f s ILE 134 Ca 0.77 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3k1f s ILE 134 Cb -0.22 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3k1f s ILE 134 CO 0.33 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.73 3k1f n GLN 135 N 4.47 3.69 -1.42 2.79 6.02 -1.26 -4.94 117.38 126.72 3k1f n GLN 135 Ca -0.18 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.34 3k1f n GLN 135 Cb 0.51 -0.99 -0.02 0.00 1.02 0.00 0.00 30.24 30.75 3k1f n GLN 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3k1f n ASP 136 N -1.95 -1.01 -0.17 1.08 4.64 -1.26 -4.89 116.55 112.99 3k1f n ASP 136 Ca 0.00 1.10 -0.05 0.00 -1.38 0.00 0.00 54.79 54.46 3k1f n ASP 136 Cb 0.46 -1.00 0.05 0.00 -1.04 0.00 0.00 41.12 39.59 3k1f n ASP 136 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3k1f h LYS 137 N 1.08 0.55 0.00 -0.67 3.64 -2.01 -1.32 116.57 117.84 3k1f h LYS 137 Ca -0.31 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3k1f h LYS 137 Cb 1.42 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3k1f h LYS 137 CO 0.56 0.37 -0.25 0.93 -2.27 0.00 0.00 179.45 178.79 3k1f h GLU 138 N 0.57 0.00 -0.14 1.90 3.07 -2.05 -3.47 114.58 114.46 3k1f h GLU 138 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3k1f h GLU 138 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3k1f h GLU 138 CO -0.12 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 3k1f n GLY 139 N 0.26 1.15 0.05 -3.84 0.00 -0.50 -5.02 105.19 97.29 3k1f n GLY 139 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 3k1f n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1f n ASN 140 N 0.89 1.36 -2.09 1.61 3.02 -1.26 -4.94 115.26 113.83 3k1f n ASN 140 Ca 0.00 0.52 -0.03 0.00 -0.03 0.00 0.00 54.58 55.04 3k1f n ASN 140 Cb 0.24 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3k1f n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k1f n GLY 141 N 1.64 -4.48 0.89 7.41 0.00 -1.26 -3.87 105.19 105.52 3k1f n GLY 141 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3k1f n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1f n VAL 142 N 1.07 -3.29 -4.08 1.61 0.31 -1.26 -3.32 118.33 109.37 3k1f n VAL 142 Ca -0.21 1.28 -0.35 0.00 -0.01 0.00 0.00 64.34 65.05 3k1f n VAL 142 Cb 0.32 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 31.01 3k1f n VAL 142 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3k1f s LEU 143 N -1.57 3.91 -0.04 7.52 2.96 -1.26 -2.92 118.68 127.28 3k1f s LEU 143 Ca 0.00 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3k1f s LEU 143 Cb 0.00 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3k1f s LEU 143 CO 0.00 0.31 -0.08 -0.38 -1.32 0.00 0.00 176.35 174.88 3k1f n ILE 144 N 2.64 0.35 -2.72 6.68 5.41 0.13 -4.95 119.36 126.89 3k1f n ILE 144 Ca -0.18 0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.98 3k1f n ILE 144 Cb 0.53 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3k1f n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f s LYS 146 N -0.87 0.32 -0.16 0.00 3.01 -1.26 -0.80 119.74 119.98 3k1f s LYS 146 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 55.97 54.62 3k1f s LYS 146 Cb 0.00 -0.19 0.03 0.00 -1.01 0.00 0.00 37.83 36.66 3k1f s LYS 146 CO 0.00 0.04 -0.12 -0.51 0.51 0.00 0.00 175.35 175.27 3k1f s LEU 147 N -0.66 1.83 0.00 3.17 1.43 -0.11 -4.63 118.68 119.71 3k1f s LEU 147 Ca -0.04 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3k1f s LEU 147 Cb -0.05 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.01 3k1f s LEU 147 CO -0.00 -0.09 0.01 -1.14 0.23 0.00 0.00 176.35 175.35 3k1f n ARG 148 N 4.76 0.00 0.00 1.70 0.00 -1.26 -1.05 116.66 120.81 3k1f n ARG 148 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 3k1f n ARG 148 Cb 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.59 3k1f n ARG 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3k1f n LYS 149 N -0.35 0.00 -2.32 -0.14 4.81 -1.26 -4.64 118.16 114.26 3k1f n LYS 149 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3k1f n LYS 149 Cb 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 35.03 34.90 3k1f n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k1f n GLY 150 N 0.97 1.95 3.55 3.14 0.00 -1.24 -4.37 105.19 109.19 3k1f n GLY 150 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3k1f n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1f s GLN 151 N -2.65 2.10 0.47 1.61 -0.21 -1.26 -4.53 119.66 115.18 3k1f s GLN 151 Ca 0.31 1.16 -0.20 0.00 0.02 0.00 0.00 55.36 56.65 3k1f s GLN 151 Cb 0.35 -4.60 -0.09 0.00 1.00 0.00 0.00 33.01 29.66 3k1f s GLN 151 CO -0.07 -3.38 0.99 -2.00 -2.12 0.00 0.00 175.29 168.70 3k1f s GLU 152 N 8.19 4.01 -0.19 2.91 2.12 -1.26 -3.16 118.70 131.32 3k1f s GLU 152 Ca 0.93 1.18 -0.04 0.00 0.36 0.00 0.00 54.97 57.39 3k1f s GLU 152 Cb -0.16 -2.14 0.09 0.00 0.26 0.00 0.00 34.13 32.19 3k1f s GLU 152 CO 0.22 -0.23 0.28 -1.17 -0.54 0.00 0.00 175.26 173.83 3k1f s LEU 153 N -3.46 -0.31 -0.19 2.70 2.96 -0.04 -1.63 118.68 118.71 3k1f s LEU 153 Ca 0.63 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 3k1f s LEU 153 Cb -0.12 0.69 0.05 0.00 0.50 0.00 0.00 46.19 47.31 3k1f s LEU 153 CO 0.19 -0.29 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.33 3k1f s LYS 154 N 2.42 1.62 0.01 1.98 1.02 -0.23 -1.08 119.74 125.48 3k1f s LYS 154 Ca 0.06 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.33 3k1f s LYS 154 Cb -0.14 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.87 3k1f s LYS 154 CO -0.12 -0.49 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.28 3k1f s LEU 155 N 1.51 2.11 -0.24 3.17 1.43 -0.15 -1.66 118.68 124.85 3k1f s LEU 155 Ca -0.02 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3k1f s LEU 155 Cb -0.17 -0.11 0.05 0.00 0.03 0.00 0.00 46.19 46.00 3k1f s LEU 155 CO -0.07 -0.08 -0.10 -0.89 0.23 0.00 0.00 176.35 175.43 3k1f s THR 156 N -0.63 1.95 -0.02 5.49 2.01 -0.94 -1.39 115.64 122.12 3k1f s THR 156 Ca -0.05 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 3k1f s THR 156 Cb -0.05 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3k1f s THR 156 CO -0.00 0.03 0.21 0.00 -0.69 0.00 0.00 174.62 174.16 3k1f s VAL 158 N -1.28 2.59 -0.14 0.00 1.01 -0.14 -1.34 120.40 121.10 3k1f s VAL 158 Ca 0.26 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.16 3k1f s VAL 158 Cb -0.13 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3k1f s VAL 158 CO 0.16 -0.37 0.40 0.00 0.00 0.00 0.00 175.10 175.28 3k1f s ALA 159 N 1.07 3.52 0.45 5.51 0.00 -0.06 -1.08 121.76 131.17 3k1f s ALA 159 Ca 0.02 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3k1f s ALA 159 Cb -0.20 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 3k1f s ALA 159 CO -0.05 0.04 0.02 0.15 0.00 0.00 0.00 175.76 175.91 3k1f s LYS 160 N 0.57 2.04 -0.08 0.00 1.02 -0.38 -1.59 119.74 121.31 3k1f s LYS 160 Ca 0.22 -2.23 -0.14 0.00 0.02 0.00 0.00 55.97 53.84 3k1f s LYS 160 Cb -0.14 -1.46 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 3k1f s LYS 160 CO 0.07 -0.23 0.36 0.21 -0.92 0.00 0.00 175.35 174.85 3k1f s LYS 161 N -3.80 4.05 0.22 1.68 2.20 -1.26 -1.53 119.74 121.31 3k1f s LYS 161 Ca 0.22 0.27 -0.21 0.00 -0.36 0.00 0.00 55.97 55.88 3k1f s LYS 161 Cb 0.06 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 33.13 3k1f s LYS 161 CO 0.11 0.47 0.99 0.20 -0.36 0.00 0.00 175.35 176.75 3k1f s GLY 162 N -0.29 0.15 0.37 5.54 0.00 -0.47 -4.70 107.32 107.92 3k1f s GLY 162 Ca 0.21 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.61 3k1f s GLY 162 CO 0.09 1.80 -0.02 -0.26 0.00 0.00 0.00 173.10 174.71 3k1f s ILE 163 N -2.25 1.95 -0.05 0.90 -4.36 -1.26 -1.37 121.20 114.76 3k1f s ILE 163 Ca 0.20 -2.07 0.29 0.00 -0.26 0.00 0.00 60.65 58.81 3k1f s ILE 163 Cb -0.03 -2.83 0.35 0.00 1.25 0.00 0.00 42.46 41.20 3k1f s ILE 163 CO 0.06 -0.08 1.84 0.00 0.24 0.00 0.00 174.94 177.00 3k1f h ALA 164 N 1.92 0.99 0.00 2.27 0.00 -1.32 -1.56 119.26 121.57 3k1f h ALA 164 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k1f h ALA 164 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k1f h ALA 164 CO 0.76 0.05 0.00 1.17 0.00 0.00 0.00 179.25 181.23 3k1f n LYS 165 N -3.13 0.22 -0.06 0.00 4.81 -1.25 -2.98 118.16 115.77 3k1f n LYS 165 Ca 0.02 0.37 -0.03 0.00 -0.87 0.00 0.00 58.31 57.80 3k1f n LYS 165 Cb 0.40 -1.87 -0.12 0.00 0.02 0.00 0.00 35.03 33.46 3k1f n LYS 165 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3k1f n GLU 166 N -2.28 1.32 0.00 1.64 2.13 -0.90 -5.05 120.64 117.51 3k1f n GLU 166 Ca 0.03 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3k1f n GLU 166 Cb 0.29 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3k1f n GLU 166 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 3k1f n HIS 167 N -2.42 0.00 0.28 4.31 -0.00 -0.64 -5.00 115.22 111.75 3k1f n HIS 167 Ca -0.19 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.70 3k1f n HIS 167 Cb 0.84 0.00 0.81 0.00 -0.00 0.00 0.00 29.99 31.64 3k1f n HIS 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1f h ALA 168 N 0.00 1.00 0.00 1.57 0.00 -1.82 -2.85 119.26 117.16 3k1f h ALA 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1f h ALA 168 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1f h ALA 168 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 179.25 180.82 3k1f h LYS 169 N 0.00 0.00 -1.13 0.00 2.10 -1.90 -0.72 116.57 114.91 3k1f h LYS 169 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 3k1f h LYS 169 Cb 0.15 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.24 3k1f h LYS 169 CO 0.00 0.00 0.63 0.91 -2.00 0.00 0.00 179.45 178.99 3k1f n TRP 170 N -2.93 2.50 -2.37 0.07 8.01 -1.08 -4.86 117.44 116.78 3k1f n TRP 170 Ca -0.01 -2.21 -0.42 0.00 -1.31 0.00 0.00 57.50 53.55 3k1f n TRP 170 Cb 0.17 -1.08 -0.02 0.00 -2.01 0.00 0.00 31.31 28.36 3k1f n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3k1f s GLY 171 N -0.94 0.96 0.01 6.99 0.00 -0.28 -3.34 107.32 110.73 3k1f s GLY 171 Ca 0.49 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.77 3k1f s GLY 171 CO 0.03 2.79 0.87 -0.56 0.00 0.00 0.00 173.10 176.23 3k1f h PRO 172 N 10.98 0.14 0.00 2.90 0.14 -1.82 -3.43 132.00 140.91 3k1f h PRO 172 Ca -0.27 -0.24 0.00 0.00 0.14 0.00 0.00 66.00 65.63 3k1f h PRO 172 Cb 1.10 0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.33 3k1f h PRO 172 CO 1.14 0.95 -0.32 0.00 0.14 0.00 0.00 178.00 179.91 3k1f n ALA 173 N -2.59 0.40 -3.03 -0.56 0.00 -1.26 -3.83 120.51 109.64 3k1f n ALA 173 Ca -0.14 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 3k1f n ALA 173 Cb 1.03 0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.50 3k1f n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f n ALA 174 N -3.14 -2.76 0.00 0.00 0.00 -1.26 -3.44 120.51 109.92 3k1f n ALA 174 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3k1f n ALA 174 Cb 0.17 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3k1f n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f n ALA 175 N 0.42 0.00 -3.68 0.00 0.00 -1.26 -4.78 120.51 111.22 3k1f n ALA 175 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3k1f n ALA 175 Cb 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 3k1f n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1f s ILE 176 N 0.00 1.31 0.35 0.00 1.01 -1.26 -2.68 121.20 119.92 3k1f s ILE 176 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3k1f s ILE 176 Cb 0.00 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 41.16 3k1f s ILE 176 CO 0.00 0.40 0.82 -1.61 0.00 0.00 0.00 174.94 174.55 3k1f s GLU 177 N 1.08 4.14 -0.19 2.79 2.02 -0.40 -4.94 118.70 123.20 3k1f s GLU 177 Ca -0.06 0.88 -0.13 0.00 0.02 0.00 0.00 54.97 55.68 3k1f s GLU 177 Cb -0.15 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.73 3k1f s GLU 177 CO -0.02 0.12 0.49 0.12 0.02 0.00 0.00 175.26 175.99 3k1f s PHE 178 N -1.98 -0.66 -0.21 1.61 5.36 -1.26 -2.62 117.98 118.22 3k1f s PHE 178 Ca 0.55 1.44 -0.18 0.00 -0.96 0.00 0.00 56.93 57.79 3k1f s PHE 178 Cb -0.11 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.92 3k1f s PHE 178 CO 0.17 -0.34 0.55 -2.00 -1.46 0.00 0.00 175.22 172.13 3k1f s GLU 179 N 1.02 0.62 -0.03 10.12 2.12 0.34 -4.99 118.70 127.90 3k1f s GLU 179 Ca -0.06 0.81 -0.05 0.00 0.36 0.00 0.00 54.97 56.03 3k1f s GLU 179 Cb -0.06 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.60 3k1f s GLU 179 CO -0.09 -0.09 0.11 1.52 -0.54 0.00 0.00 175.26 176.17 3k1f s TYR 180 N 0.52 -0.04 -0.77 5.30 -0.85 -1.26 -0.11 117.35 120.14 3k1f s TYR 180 Ca -0.02 0.11 -0.02 0.00 -0.52 0.00 0.00 57.07 56.63 3k1f s TYR 180 Cb -0.04 -0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3k1f s TYR 180 CO -0.02 -0.14 0.65 -3.47 -1.52 0.00 0.00 175.55 171.05 3k1f n ASP 181 N 2.44 -6.29 -0.19 -0.18 2.03 -1.26 -4.92 116.55 108.17 3k1f n ASP 181 Ca -0.16 -0.50 -0.00 0.00 0.52 0.00 0.00 54.79 54.65 3k1f n ASP 181 Cb 0.58 -3.42 0.24 0.00 -0.72 0.00 0.00 41.12 37.79 3k1f n ASP 181 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3k1f h PRO 182 N 0.18 0.95 -5.62 -0.67 0.13 -1.93 -3.33 132.00 121.71 3k1f h PRO 182 Ca -0.33 -0.08 -0.63 0.00 -0.87 0.00 0.00 66.00 64.09 3k1f h PRO 182 Cb 1.21 -0.20 -0.14 0.00 0.13 0.00 0.00 31.00 32.00 3k1f h PRO 182 CO 0.33 0.67 0.46 -1.58 -0.23 0.00 0.00 178.00 177.65 3k1f s TRP 183 N -5.71 2.82 -1.08 1.56 0.52 -1.26 -4.95 118.94 110.85 3k1f s TRP 183 Ca -0.11 -0.20 -0.27 0.00 0.02 0.00 0.00 56.10 55.55 3k1f s TRP 183 Cb 0.17 -4.00 -0.24 0.00 -1.15 0.00 0.00 33.47 28.25 3k1f s TRP 183 CO 0.78 -1.34 2.11 -1.71 0.02 0.00 0.00 176.95 176.82 3k1f n ASN 184 N 7.25 1.30 -0.06 2.95 5.15 -1.25 -4.55 115.26 126.05 3k1f n ASN 184 Ca -0.01 -2.47 -0.11 0.00 -0.60 0.00 0.00 54.58 51.39 3k1f n ASN 184 Cb 0.47 -1.73 -0.15 0.00 -0.53 0.00 0.00 39.78 37.84 3k1f n ASN 184 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3k1f n LYS 185 N 8.12 0.67 0.24 1.20 5.02 -1.26 -4.09 118.16 128.05 3k1f n LYS 185 Ca 0.41 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.98 3k1f n LYS 185 Cb 0.47 -1.66 0.51 0.00 -0.02 0.00 0.00 35.03 34.34 3k1f n LYS 185 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3k1f h LEU 186 N 0.01 0.00 1.73 -0.35 4.07 -1.91 -3.44 115.31 115.41 3k1f h LEU 186 Ca -0.43 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.17 3k1f h LEU 186 Cb 2.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.83 3k1f h LEU 186 CO 0.05 0.16 -0.51 0.29 -1.08 0.00 0.00 178.44 177.35 3k1f n LYS 187 N -3.32 -3.23 0.03 1.13 5.02 -1.26 -4.88 118.16 111.66 3k1f n LYS 187 Ca 0.00 0.77 0.11 0.00 -2.02 0.00 0.00 58.31 57.17 3k1f n LYS 187 Cb 0.40 -5.49 0.47 0.00 -0.02 0.00 0.00 35.03 30.39 3k1f n LYS 187 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3k1f n HIS 188 N -4.01 0.24 -3.81 2.13 8.25 -1.26 -4.72 115.22 112.04 3k1f n HIS 188 Ca -0.13 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 3k1f n HIS 188 Cb 0.62 -0.63 -0.15 0.00 1.12 0.00 0.00 29.99 30.95 3k1f n HIS 188 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k1f s THR 189 N -3.05 -0.03 -0.42 1.59 -1.32 -1.26 -5.14 115.64 106.00 3k1f s THR 189 Ca 0.10 0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.59 3k1f s THR 189 Cb 0.14 -0.08 0.06 0.00 -1.51 0.00 0.00 72.50 71.11 3k1f s THR 189 CO 0.44 0.05 0.29 -0.62 -2.21 0.00 0.00 174.62 172.57 3k1f s ASP 190 N 0.64 5.84 -0.12 8.08 2.15 -1.26 -5.06 116.67 126.94 3k1f s ASP 190 Ca -0.05 -1.30 -0.29 0.00 0.43 0.00 0.00 52.55 51.34 3k1f s ASP 190 Cb -0.08 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 40.43 3k1f s ASP 190 CO -0.02 -0.53 1.73 -0.31 -0.17 0.00 0.00 175.17 175.87 3k1f s TYR 191 N 1.53 1.87 0.40 -5.34 1.51 -1.26 -5.01 117.35 111.05 3k1f s TYR 191 Ca 0.03 0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 56.12 3k1f s TYR 191 Cb -0.22 -3.98 -0.09 0.00 -0.11 0.00 0.00 41.96 37.56 3k1f s TYR 191 CO 0.05 -3.73 1.19 -0.46 -1.11 0.00 0.00 175.55 171.49 3k1f s TRP 192 N 4.93 3.05 -0.10 2.71 -0.00 -1.26 -4.92 118.94 123.35 3k1f s TRP 192 Ca 0.77 1.54 -0.16 0.00 -0.00 0.00 0.00 56.10 58.25 3k1f s TRP 192 Cb -0.31 -3.43 0.04 0.00 -0.00 0.00 0.00 33.47 29.77 3k1f s TRP 192 CO 0.31 -1.40 0.40 1.52 -0.00 0.00 0.00 176.95 177.78 3k1f s TYR 193 N -1.38 -0.38 -0.10 5.86 -0.85 -1.26 -4.77 117.35 114.46 3k1f s TYR 193 Ca 0.57 0.84 -0.23 0.00 -0.52 0.00 0.00 57.07 57.73 3k1f s TYR 193 Cb -0.32 0.16 -0.19 0.00 0.38 0.00 0.00 41.96 41.99 3k1f s TYR 193 CO 0.40 -0.31 0.75 0.93 -1.52 0.00 0.00 175.55 175.80 3k1f h GLU 194 N 4.76 -0.05 0.00 -3.49 4.39 -1.98 -3.46 114.58 114.76 3k1f h GLU 194 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3k1f h GLU 194 Cb 1.18 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3k1f h GLU 194 CO 0.31 0.61 -0.12 1.04 -1.16 0.00 0.00 179.01 179.68 3k1f n GLN 195 N -4.74 0.00 -3.75 2.33 6.02 -1.26 -5.07 117.38 110.91 3k1f n GLN 195 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.65 3k1f n GLN 195 Cb 0.33 -0.43 -0.17 0.00 1.02 0.00 0.00 30.24 30.99 3k1f n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3k1f s ASP 196 N -3.62 2.54 0.05 1.08 -1.08 -1.26 -5.04 116.67 109.33 3k1f s ASP 196 Ca 0.00 -0.61 -0.25 0.00 -0.52 0.00 0.00 52.55 51.17 3k1f s ASP 196 Cb 0.00 -0.56 -0.17 0.00 -1.46 0.00 0.00 42.92 40.73 3k1f s ASP 196 CO 0.00 -0.27 1.55 0.77 0.52 0.00 0.00 175.17 177.74 3k1f h SER 197 N 8.26 -0.15 -0.00 -0.34 4.64 -1.91 -1.03 113.55 123.02 3k1f h SER 197 Ca -0.18 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3k1f h SER 197 Cb 1.12 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3k1f h SER 197 CO 0.32 0.04 -0.03 0.00 -0.87 0.00 0.00 176.83 176.29 3k1f h ALA 198 N 0.51 -0.02 0.00 5.18 0.00 -1.95 -0.69 119.26 122.30 3k1f h ALA 198 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3k1f h ALA 198 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3k1f h ALA 198 CO 0.03 -0.52 -0.44 0.87 0.00 0.00 0.00 179.25 179.19 3k1f h LYS 199 N -0.05 0.00 -0.00 0.00 1.57 -2.00 -3.12 116.57 112.97 3k1f h LYS 199 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3k1f h LYS 199 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3k1f h LYS 199 CO -0.03 0.44 -0.48 -1.91 -0.57 0.00 0.00 179.45 176.90 3k1f n GLU 200 N -3.66 0.12 -3.78 3.15 2.13 -0.39 -4.85 120.64 113.36 3k1f n GLU 200 Ca -0.01 -0.07 -0.37 0.00 0.66 0.00 0.00 57.16 57.38 3k1f n GLU 200 Cb 0.53 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.61 3k1f n GLU 200 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3k1f s TRP 201 N -2.93 3.15 0.30 4.31 0.52 -0.28 -5.04 118.94 118.97 3k1f s TRP 201 Ca 0.13 -1.08 -0.30 0.00 0.02 0.00 0.00 56.10 54.87 3k1f s TRP 201 Cb 0.18 -2.24 -0.12 0.00 -1.15 0.00 0.00 33.47 30.14 3k1f s TRP 201 CO 0.68 -0.60 1.55 -2.30 0.02 0.00 0.00 176.95 176.29 3k1f n PRO 202 N 4.84 2.60 -2.82 4.98 -0.02 -1.26 -4.90 135.00 138.42 3k1f n PRO 202 Ca -0.15 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 3k1f n PRO 202 Cb 0.48 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 3k1f n PRO 202 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k1f s GLN 203 N -0.78 3.23 1.01 -0.52 -0.21 -1.26 -5.04 119.66 116.08 3k1f s GLN 203 Ca 0.63 -0.95 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 3k1f s GLN 203 Cb -0.51 -4.41 0.20 0.00 1.00 0.00 0.00 33.01 29.29 3k1f s GLN 203 CO 0.51 -1.87 1.09 -1.54 -2.12 0.00 0.00 175.29 171.36 3k1f s SER 204 N 3.76 2.28 0.28 5.90 1.04 -1.26 -4.89 113.70 120.81 3k1f s SER 204 Ca 0.27 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.47 3k1f s SER 204 Cb -0.13 -2.37 0.62 0.00 0.10 0.00 0.00 66.02 64.24 3k1f s SER 204 CO 0.06 -3.43 1.77 0.50 0.98 0.00 0.00 173.24 173.12 3k1f h LYS 205 N -2.09 0.68 0.00 4.02 3.64 -2.04 -1.47 116.57 119.30 3k1f h LYS 205 Ca -0.52 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3k1f h LYS 205 Cb 1.30 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3k1f h LYS 205 CO 0.48 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 178.20 3k1f n ASN 206 N -4.82 0.00 0.06 4.20 3.02 -1.26 -3.59 115.26 112.87 3k1f n ASN 206 Ca 0.20 -0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.33 3k1f n ASN 206 Cb 0.49 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.52 3k1f n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1f h GLU 208 N -0.77 0.33 0.00 0.00 3.07 -1.78 -0.95 114.58 114.48 3k1f h GLU 208 Ca -0.02 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3k1f h GLU 208 Cb 0.53 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3k1f h GLU 208 CO 0.04 0.22 -0.46 1.88 -1.40 0.00 0.00 179.01 179.29 3k1f h TYR 209 N 0.34 0.00 -3.01 4.33 -1.99 -1.79 -3.45 116.97 111.40 3k1f h TYR 209 Ca 0.55 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.73 3k1f h TYR 209 Cb 1.51 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.21 3k1f h TYR 209 CO -0.00 0.46 -0.30 -2.00 -0.00 0.00 0.00 178.16 176.31 3k1f s GLU 210 N -3.78 3.57 0.37 4.88 2.12 -0.36 -5.10 118.70 120.40 3k1f s GLU 210 Ca -0.01 -0.20 -0.24 0.00 0.36 0.00 0.00 54.97 54.87 3k1f s GLU 210 Cb 0.13 -2.82 -0.10 0.00 0.26 0.00 0.00 34.13 31.60 3k1f s GLU 210 CO 0.72 0.40 0.99 -0.51 -0.54 0.00 0.00 175.26 176.33 3k1f s ASP 211 N -2.88 7.01 0.86 -1.70 1.01 -1.26 -4.97 116.67 114.73 3k1f s ASP 211 Ca 0.40 1.91 -0.12 0.00 0.71 0.00 0.00 52.55 55.45 3k1f s ASP 211 Cb -0.11 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.35 3k1f s ASP 211 CO 0.27 -0.31 1.09 -2.84 0.21 0.00 0.00 175.17 173.60 3k1f s PRO 212 N -2.43 1.54 0.00 8.23 0.02 -1.26 -4.95 135.00 136.15 3k1f s PRO 212 Ca 0.56 0.75 0.26 0.00 0.02 0.00 0.00 61.00 62.58 3k1f s PRO 212 Cb -0.19 -1.85 0.60 0.00 0.02 0.00 0.00 34.50 33.08 3k1f s PRO 212 CO 0.24 -2.03 1.47 -0.35 -0.33 0.00 0.00 177.00 176.00 3k1f n PRO 213 N -3.73 0.89 -1.62 5.54 -0.04 -1.26 -4.99 135.00 129.79 3k1f n PRO 213 Ca 0.07 -0.58 -0.19 0.00 -0.04 0.00 0.00 63.50 62.75 3k1f n PRO 213 Cb 0.56 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3k1f n PRO 213 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3k1f n ASN 214 N -0.55 -5.36 0.00 3.54 5.15 -1.26 -4.59 115.26 112.19 3k1f n ASN 214 Ca 0.11 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 3k1f n ASN 214 Cb 0.37 -4.56 0.00 0.00 -0.53 0.00 0.00 39.78 35.06 3k1f n ASN 214 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3k1f n GLU 215 N -2.47 0.00 0.32 1.20 2.13 -1.26 -4.37 120.64 116.19 3k1f n GLU 215 Ca -0.20 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.67 3k1f n GLU 215 Cb 0.64 0.00 0.24 0.00 0.27 0.00 0.00 31.44 32.60 3k1f n GLU 215 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3k1f h GLY 216 N 0.00 0.00 -5.03 8.31 0.00 -2.06 -3.45 103.07 100.84 3k1f h GLY 216 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3k1f h GLY 216 CO 0.00 0.00 -0.18 1.22 0.00 0.00 0.00 176.54 177.58 3k1f n ASP 217 N -2.56 -0.13 -4.77 0.19 9.92 -1.26 -4.93 116.55 113.01 3k1f n ASP 217 Ca -0.01 1.15 -0.39 0.00 -0.53 0.00 0.00 54.79 55.01 3k1f n ASP 217 Cb 0.79 -1.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 3k1f n ASP 217 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3k1f s PRO 218 N -0.88 4.24 0.39 -0.24 0.04 -1.26 -4.99 135.00 132.31 3k1f s PRO 218 Ca 0.68 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 63.29 3k1f s PRO 218 Cb -0.91 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 30.69 3k1f s PRO 218 CO 0.56 -0.16 1.44 0.12 0.04 0.00 0.00 177.00 179.01 3k1f s PHE 219 N -1.35 2.61 -0.29 0.56 5.36 -1.26 -4.99 117.98 118.62 3k1f s PHE 219 Ca 0.53 1.23 -0.18 0.00 -0.96 0.00 0.00 56.93 57.56 3k1f s PHE 219 Cb -0.31 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.40 3k1f s PHE 219 CO 0.40 -2.82 0.49 0.34 -1.46 0.00 0.00 175.22 172.17 3k1f s ASP 220 N -0.31 6.37 0.27 6.13 2.15 -1.26 -4.95 116.67 125.06 3k1f s ASP 220 Ca 0.55 0.32 0.18 0.00 0.43 0.00 0.00 52.55 54.03 3k1f s ASP 220 Cb -0.45 -2.27 0.08 0.00 -0.30 0.00 0.00 42.92 39.99 3k1f s ASP 220 CO 0.60 -0.33 1.33 0.10 -0.17 0.00 0.00 175.17 176.69 3k1f h TYR 221 N 8.18 0.00 0.00 -5.34 -0.00 -1.96 -3.28 116.97 114.56 3k1f h TYR 221 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.34 3k1f h TYR 221 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.85 3k1f h TYR 221 CO 0.75 0.36 -0.47 0.87 -0.00 0.00 0.00 178.16 179.67 3k1f h LYS 222 N 0.00 0.00 -5.40 0.10 1.57 -2.02 -3.47 116.57 107.36 3k1f h LYS 222 Ca -0.03 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.98 3k1f h LYS 222 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.63 3k1f h LYS 222 CO 0.04 0.47 0.43 0.00 -0.57 0.00 0.00 179.45 179.82 3k1f n ALA 223 N -2.44 -1.94 -2.15 3.86 0.00 -1.24 -5.02 120.51 111.58 3k1f n ALA 223 Ca -0.02 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 3k1f n ALA 223 Cb 0.50 -1.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 3k1f n ALA 223 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k1f s GLN 224 N 1.79 0.60 -0.12 0.00 -1.52 -1.26 -5.03 119.66 114.12 3k1f s GLN 224 Ca 0.90 -1.18 -0.18 0.00 -1.95 0.00 0.00 55.36 52.95 3k1f s GLN 224 Cb -1.28 0.21 -0.04 0.00 -0.22 0.00 0.00 33.01 31.68 3k1f s GLN 224 CO 0.66 -0.11 0.47 0.00 -0.25 0.00 0.00 175.29 176.06 3k1f s ALA 225 N -3.79 3.48 0.10 6.09 0.00 -1.26 -5.03 121.76 121.35 3k1f s ALA 225 Ca 0.06 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 3k1f s ALA 225 Cb 0.07 -2.64 0.08 0.00 0.00 0.00 0.00 23.12 20.63 3k1f s ALA 225 CO -0.10 -0.00 0.84 0.16 0.00 0.00 0.00 175.76 176.66 3k1f s ASP 226 N 0.63 -0.34 -0.23 0.00 3.84 -1.25 -4.21 116.67 115.11 3k1f s ASP 226 Ca 0.25 -0.17 -0.05 0.00 -0.00 0.00 0.00 52.55 52.58 3k1f s ASP 226 Cb -0.15 0.49 0.01 0.00 -1.38 0.00 0.00 42.92 41.88 3k1f s ASP 226 CO 0.10 -0.83 0.28 0.41 -0.00 0.00 0.00 175.17 175.12 3k1f n THR 227 N -0.35 -5.78 -4.60 2.11 -1.04 -1.02 -4.88 114.28 98.73 3k1f n THR 227 Ca -0.09 0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.84 3k1f n THR 227 Cb 0.62 -5.35 -0.11 0.00 -1.82 0.00 0.00 70.33 63.67 3k1f n THR 227 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3k1f s PHE 228 N -2.06 2.95 -0.25 -1.42 0.40 -0.22 -4.47 117.98 112.90 3k1f s PHE 228 Ca 0.08 -0.00 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 3k1f s PHE 228 Cb -0.02 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 3k1f s PHE 228 CO 0.34 0.31 0.13 0.71 0.70 0.00 0.00 175.22 177.40 3k1f s TYR 229 N -0.71 3.18 0.14 0.36 1.51 0.85 -1.17 117.35 121.50 3k1f s TYR 229 Ca 0.11 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3k1f s TYR 229 Cb -0.11 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 3k1f s TYR 229 CO 0.02 -0.17 -0.09 -1.64 -1.11 0.00 0.00 175.55 172.55 3k1f s MET 230 N 1.49 1.00 -0.34 -0.62 -1.94 -0.40 -0.51 119.30 117.98 3k1f s MET 230 Ca 0.06 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 3k1f s MET 230 Cb -0.15 -0.50 0.14 0.00 2.01 0.00 0.00 34.83 36.33 3k1f s MET 230 CO 0.07 0.04 0.25 1.21 -0.01 0.00 0.00 175.02 176.58 3k1f s ASN 231 N -3.14 2.42 -0.51 3.03 2.47 -1.08 -1.17 114.94 116.96 3k1f s ASN 231 Ca 0.16 -1.77 -0.27 0.00 0.42 0.00 0.00 52.86 51.40 3k1f s ASN 231 Cb 0.03 -0.04 0.03 0.00 -1.45 0.00 0.00 41.25 39.83 3k1f s ASN 231 CO -0.01 -0.32 1.05 -0.69 -3.72 0.00 0.00 177.10 173.42 3k1f s VAL 232 N 1.43 4.27 0.00 -5.21 1.01 -0.71 -1.27 120.40 119.91 3k1f s VAL 232 Ca 0.16 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 3k1f s VAL 232 Cb -0.19 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 3k1f s VAL 232 CO -0.08 -1.07 0.31 -0.70 0.00 0.00 0.00 175.10 173.56 3k1f s GLU 233 N 4.29 3.67 0.33 2.72 2.12 -1.09 -1.77 118.70 128.96 3k1f s GLU 233 Ca 0.40 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.88 3k1f s GLU 233 Cb -0.09 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3k1f s GLU 233 CO 0.26 0.66 0.29 0.45 -0.54 0.00 0.00 175.26 176.37 3k1f s SER 234 N -1.49 5.32 -0.07 -1.70 0.15 0.95 -4.42 113.70 112.44 3k1f s SER 234 Ca 0.26 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.46 3k1f s SER 234 Cb -0.14 -1.02 -0.25 0.00 -1.71 0.00 0.00 66.02 62.90 3k1f s SER 234 CO 0.14 -0.32 0.55 0.58 1.20 0.00 0.00 173.24 175.38 3k1f h VAL 235 N 1.27 0.78 0.00 4.45 2.07 -1.66 -3.47 116.25 119.68 3k1f h VAL 235 Ca -0.45 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.53 3k1f h VAL 235 Cb 1.25 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3k1f h VAL 235 CO 0.59 0.73 0.00 0.61 0.02 0.00 0.00 177.57 179.51 3k1f n GLY 236 N 1.78 1.81 0.21 2.17 0.00 -1.26 -5.02 105.19 104.89 3k1f n GLY 236 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3k1f n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k1f h SER 237 N 0.00 -0.48 -4.07 1.61 4.64 -1.87 -3.43 113.55 109.95 3k1f h SER 237 Ca 0.00 0.06 -0.69 0.00 -0.47 0.00 0.00 61.79 60.69 3k1f h SER 237 Cb 0.00 0.19 -0.27 0.00 -0.31 0.00 0.00 62.40 62.01 3k1f h SER 237 CO 0.00 -0.25 -0.82 -0.51 -0.87 0.00 0.00 176.83 174.38 3k1f s ILE 238 N -6.12 2.65 0.58 0.95 2.07 -1.26 -1.42 121.20 118.65 3k1f s ILE 238 Ca -0.15 -0.87 -0.20 0.00 -1.41 0.00 0.00 60.65 58.03 3k1f s ILE 238 Cb 0.08 -2.01 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 3k1f s ILE 238 CO 0.66 0.58 1.26 -2.16 -1.91 0.00 0.00 174.94 173.36 3k1f s PRO 239 N -0.46 2.97 0.26 3.50 0.04 -1.26 -4.75 135.00 135.29 3k1f s PRO 239 Ca 0.06 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3k1f s PRO 239 Cb -0.12 -2.02 0.38 0.00 0.04 0.00 0.00 34.50 32.79 3k1f s PRO 239 CO 0.01 -1.24 1.57 -0.39 0.04 0.00 0.00 177.00 176.99 3k1f h VAL 240 N 1.01 0.07 -0.61 -0.36 -1.51 -1.90 -0.97 116.25 111.98 3k1f h VAL 240 Ca -0.51 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.07 3k1f h VAL 240 Cb 1.30 0.07 -0.08 0.00 -2.13 0.00 0.00 31.29 30.45 3k1f h VAL 240 CO 0.55 0.00 0.19 -2.24 -1.23 0.00 0.00 177.57 174.85 3k1f h ASP 241 N -0.01 0.15 0.67 4.19 2.03 -1.94 -1.92 116.42 119.60 3k1f h ASP 241 Ca 0.43 0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 56.72 3k1f h ASP 241 Cb 0.66 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 3k1f h ASP 241 CO -0.95 0.09 -0.43 1.56 -1.03 0.00 0.00 179.24 178.47 3k1f h GLN 242 N 0.35 0.00 -0.04 4.15 1.08 -1.55 -0.79 115.11 118.31 3k1f h GLN 242 Ca 0.31 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3k1f h GLN 242 Cb 0.42 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3k1f h GLN 242 CO -0.34 0.43 0.03 0.28 -0.95 0.00 0.00 178.83 178.29 3k1f h VAL 243 N 0.00 0.77 0.00 -0.54 2.07 -0.77 -0.33 116.25 117.45 3k1f h VAL 243 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 3k1f h VAL 243 Cb 0.89 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3k1f h VAL 243 CO 0.06 0.00 -1.39 0.52 0.02 0.00 0.00 177.57 176.78 3k1f n VAL 244 N -4.22 1.50 -0.17 2.57 0.31 -1.08 -3.96 118.33 113.27 3k1f n VAL 244 Ca -0.02 -0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.24 3k1f n VAL 244 Cb 0.13 -2.18 0.01 0.00 -0.91 0.00 0.00 33.84 30.89 3k1f n VAL 244 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3k1f h VAL 245 N -1.00 0.24 0.00 2.52 2.07 -1.10 0.13 116.25 119.11 3k1f h VAL 245 Ca -0.25 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3k1f h VAL 245 Cb 1.13 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3k1f h VAL 245 CO -0.15 0.00 -0.35 0.03 0.02 0.00 0.00 177.57 177.12 3k1f h ARG 246 N -0.16 0.00 0.11 1.57 3.08 -1.31 -1.83 114.38 115.83 3k1f h ARG 246 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3k1f h ARG 246 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3k1f h ARG 246 CO -0.61 0.35 -0.05 0.78 -1.07 0.00 0.00 179.97 179.37 3k1f h GLY 247 N 1.74 -0.15 0.55 0.04 0.00 -1.23 -0.43 103.07 103.59 3k1f h GLY 247 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3k1f h GLY 247 CO 0.05 -0.05 -0.13 -2.22 0.00 0.00 0.00 176.54 174.18 3k1f h ILE 248 N -0.40 0.64 -0.46 2.60 2.04 -0.95 -1.67 117.51 119.31 3k1f h ILE 248 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3k1f h ILE 248 Cb 0.33 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3k1f h ILE 248 CO 0.02 0.00 0.14 -0.78 0.00 0.00 0.00 178.15 177.54 3k1f h ASP 249 N -0.18 0.12 -0.42 1.72 3.58 -1.27 -1.81 116.42 118.16 3k1f h ASP 249 Ca 0.08 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.62 3k1f h ASP 249 Cb 0.29 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3k1f h ASP 249 CO -0.20 0.10 0.23 0.74 -2.88 0.00 0.00 179.24 177.23 3k1f h THR 250 N 0.30 1.01 -0.62 2.25 2.02 -0.73 -1.02 112.91 116.12 3k1f h THR 250 Ca 0.22 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3k1f h THR 250 Cb 0.24 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3k1f h THR 250 CO -0.24 0.08 0.37 0.25 0.37 0.00 0.00 175.52 176.35 3k1f h LEU 251 N 0.46 0.74 -0.67 2.58 5.85 -0.85 -0.84 115.31 122.58 3k1f h LEU 251 Ca 0.17 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3k1f h LEU 251 Cb 0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3k1f h LEU 251 CO -0.10 0.58 0.39 1.56 -0.34 0.00 0.00 178.44 180.52 3k1f h GLN 252 N 0.84 0.70 -0.37 1.25 4.20 -0.82 -1.52 115.11 119.39 3k1f h GLN 252 Ca 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3k1f h GLN 252 Cb -0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3k1f h GLN 252 CO -0.04 0.47 0.22 0.87 -0.67 0.00 0.00 178.83 179.68 3k1f h LYS 253 N 0.72 0.50 -0.19 1.46 1.57 -0.75 -0.50 116.57 119.39 3k1f h LYS 253 Ca 0.29 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 3k1f h LYS 253 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3k1f h LYS 253 CO -0.16 0.38 0.14 0.87 -0.57 0.00 0.00 179.45 180.10 3k1f h LYS 254 N 0.48 0.02 0.15 3.15 1.57 -0.40 -1.39 116.57 120.16 3k1f h LYS 254 Ca 0.13 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 3k1f h LYS 254 Cb 0.00 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.32 3k1f h LYS 254 CO -0.03 0.01 -1.14 0.28 -0.57 0.00 0.00 179.45 178.01 3k1f h VAL 255 N 0.02 1.31 -0.90 0.50 2.07 -0.79 -3.36 116.25 115.09 3k1f h VAL 255 Ca 0.09 -2.52 0.13 0.00 0.82 0.00 0.00 66.70 65.22 3k1f h VAL 255 Cb 0.34 3.01 -0.09 0.00 -1.52 0.00 0.00 31.29 33.04 3k1f h VAL 255 CO -0.00 0.73 0.52 0.00 0.02 0.00 0.00 177.57 178.84 3k1f h ALA 256 N 0.05 1.35 -0.98 1.67 0.00 -0.32 -1.55 119.26 119.49 3k1f h ALA 256 Ca -0.22 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3k1f h ALA 256 Cb 1.78 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 3k1f h ALA 256 CO 0.14 0.06 0.61 0.66 0.00 0.00 0.00 179.25 180.73 3k1f h SER 257 N 0.80 0.77 0.15 0.00 4.64 -1.43 -2.13 113.55 116.34 3k1f h SER 257 Ca 0.46 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 3k1f h SER 257 Cb 0.54 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3k1f h SER 257 CO -0.30 0.34 -0.07 0.40 -0.87 0.00 0.00 176.83 176.33 3k1f h ILE 258 N 0.79 0.94 -0.92 0.95 2.04 -1.44 -0.16 117.51 119.69 3k1f h ILE 258 Ca 0.52 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 66.12 3k1f h ILE 258 Cb 0.78 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3k1f h ILE 258 CO -0.30 0.08 0.58 -0.07 0.00 0.00 0.00 178.15 178.44 3k1f h LEU 259 N -0.36 0.90 -0.25 1.44 -0.00 -1.43 0.21 115.31 115.83 3k1f h LEU 259 Ca -0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 3k1f h LEU 259 Cb 0.28 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 3k1f h LEU 259 CO 0.03 0.56 -0.09 0.25 -0.00 0.00 0.00 178.44 179.19 3k1f h LEU 260 N 1.03 0.51 -2.37 1.67 5.85 -1.22 -0.89 115.31 119.89 3k1f h LEU 260 Ca 0.41 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3k1f h LEU 260 Cb 0.22 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3k1f h LEU 260 CO -0.19 0.79 -0.03 0.00 -0.34 0.00 0.00 178.44 178.66 3k1f h ALA 261 N 0.74 1.19 0.01 1.25 0.00 -0.51 0.51 119.26 122.46 3k1f h ALA 261 Ca 0.06 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3k1f h ALA 261 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3k1f h ALA 261 CO 0.03 0.04 -1.06 1.25 0.00 0.00 0.00 179.25 179.51 3k1f h LEU 262 N 0.00 0.03 -0.44 0.00 6.46 -0.63 -3.10 115.31 117.64 3k1f h LEU 262 Ca -0.00 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 3k1f h LEU 262 Cb 0.16 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3k1f h LEU 262 CO 0.00 1.03 -0.10 0.74 -0.62 0.00 0.00 178.44 179.49 3k1f h THR 263 N 0.01 1.27 -0.48 1.05 2.02 0.51 -1.88 112.91 115.41 3k1f h THR 263 Ca -0.04 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3k1f h THR 263 Cb 1.80 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3k1f h THR 263 CO 0.13 0.41 0.26 1.56 0.37 0.00 0.00 175.52 178.25 3k1f h GLN 264 N 0.67 0.65 -0.56 6.66 7.50 -1.38 -1.28 115.11 127.38 3k1f h GLN 264 Ca 0.11 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 59.10 3k1f h GLN 264 Cb 0.64 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 3k1f h GLN 264 CO 0.04 0.48 -0.05 0.52 -1.50 0.00 0.00 178.83 178.33 3k1f h MET 265 N 0.66 1.02 -1.29 1.46 2.86 -1.46 -3.08 114.93 115.10 3k1f h MET 265 Ca 0.17 -0.35 -0.30 0.00 -2.06 0.00 0.00 59.70 57.16 3k1f h MET 265 Cb 0.03 -0.08 -0.15 0.00 0.06 0.00 0.00 31.60 31.46 3k1f h MET 265 CO -0.03 1.04 0.39 -0.25 1.06 0.00 0.00 176.91 179.12 3k1f n ASP 266 N -4.20 5.20 0.05 1.22 10.43 -0.50 -4.01 116.55 124.75 3k1f n ASP 266 Ca 0.02 -2.97 0.00 0.00 2.57 0.00 0.00 54.79 54.41 3k1f n ASP 266 Cb 0.37 -0.89 0.00 0.00 1.84 0.00 0.00 41.12 42.44 3k1f n ASP 266 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3k1f n GLN 267 N 0.04 0.00 0.00 -1.24 1.13 -1.07 -4.96 117.38 111.29 3k1f n GLN 267 Ca 0.31 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 3k1f n GLN 267 Cb 0.79 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 30.71 3k1f n GLN 267 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37