#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9w n TYR 2 N 0.00 2.44 -1.80 2.03 9.36 -1.26 -0.49 117.16 127.43 1y9w n TYR 2 Ca 0.00 0.17 -0.21 0.00 3.32 0.00 0.00 57.90 61.18 1y9w n TYR 2 Cb 0.00 -2.60 -0.07 0.00 -0.63 0.00 0.00 39.34 36.04 1y9w n TYR 2 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1y9w n MET 3 N 3.84 -1.50 -4.19 2.98 2.81 -1.26 -4.97 117.12 114.83 1y9w n MET 3 Ca 0.17 1.18 -0.12 0.00 -1.81 0.00 0.00 57.70 57.11 1y9w n MET 3 Cb 0.31 -5.63 -0.10 0.00 -0.71 0.00 0.00 33.22 27.09 1y9w n MET 3 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1y9w s LYS 4 N -4.09 0.89 -0.01 0.03 1.02 0.35 -5.17 119.74 112.77 1y9w s LYS 4 Ca 0.00 -1.31 -0.20 0.00 0.02 0.00 0.00 55.97 54.47 1y9w s LYS 4 Cb 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 37.83 36.97 1y9w s LYS 4 CO 0.00 0.03 0.44 -3.38 -0.92 0.00 0.00 175.35 171.52 1y9w s HIS 5 N -3.25 -0.34 -0.13 3.18 -3.43 -1.26 -4.91 115.29 105.16 1y9w s HIS 5 Ca 0.11 0.49 -0.04 0.00 -0.80 0.00 0.00 55.06 54.82 1y9w s HIS 5 Cb 0.03 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 1y9w s HIS 5 CO -0.02 -0.51 0.03 0.42 -2.00 0.00 0.00 174.74 172.66 1y9w s ILE 6 N -1.63 4.55 0.32 -5.38 1.01 -1.26 -5.09 121.20 113.72 1y9w s ILE 6 Ca -0.10 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 1y9w s ILE 6 Cb -0.03 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.51 1y9w s ILE 6 CO 0.04 0.55 0.72 -1.83 0.00 0.00 0.00 174.94 174.42 1y9w s GLU 7 N -0.40 1.96 0.30 2.79 -1.05 -1.26 -5.14 118.70 115.91 1y9w s GLU 7 Ca 0.08 -1.24 -0.29 0.00 -0.15 0.00 0.00 54.97 53.38 1y9w s GLU 7 Cb -0.12 0.60 -0.10 0.00 -0.44 0.00 0.00 34.13 34.07 1y9w s GLU 7 CO 0.02 -0.90 1.34 -0.80 0.95 0.00 0.00 175.26 175.87 1y9w s ASN 8 N -3.01 6.76 0.42 0.83 0.01 -1.26 -5.00 114.94 113.69 1y9w s ASN 8 Ca 0.15 2.66 -0.07 0.00 -0.71 0.00 0.00 52.86 54.88 1y9w s ASN 8 Cb -0.05 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.92 1y9w s ASN 8 CO 0.10 -0.57 0.75 -0.83 -1.51 0.00 0.00 177.10 175.03 1y9w s GLY 9 N -0.21 1.71 0.79 0.66 0.00 -1.26 -5.09 107.32 103.92 1y9w s GLY 9 Ca 0.52 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 1y9w s GLY 9 CO 0.49 -0.24 1.08 -0.51 0.00 0.00 0.00 173.10 173.93 1y9w s THR 10 N -2.51 2.11 0.17 0.90 -4.23 -1.26 -4.83 115.64 106.00 1y9w s THR 10 Ca 0.48 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.46 1y9w s THR 10 Cb -0.10 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.11 1y9w s THR 10 CO 0.37 0.00 1.78 -0.09 -0.54 0.00 0.00 174.62 176.14 1y9w h ARG 11 N -0.84 0.83 -0.05 3.99 2.43 -1.98 0.26 114.38 119.01 1y9w h ARG 11 Ca -0.39 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 1y9w h ARG 11 Cb 1.26 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1y9w h ARG 11 CO 0.41 0.65 -0.53 -0.84 -1.51 0.00 0.00 179.97 178.15 1y9w h ILE 12 N 0.80 1.37 -0.37 1.20 -0.00 -1.99 -0.62 117.51 117.90 1y9w h ILE 12 Ca 0.21 -1.81 -0.10 0.00 -0.00 0.00 0.00 64.86 63.16 1y9w h ILE 12 Cb 0.07 1.92 -0.02 0.00 -0.00 0.00 0.00 36.82 38.79 1y9w h ILE 12 CO -0.03 0.53 -0.17 -0.33 -0.00 0.00 0.00 178.15 178.14 1y9w h GLU 13 N 0.11 0.69 -0.17 0.16 5.08 -1.79 -0.20 114.58 118.46 1y9w h GLU 13 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1y9w h GLU 13 Cb 0.97 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1y9w h GLU 13 CO 0.08 0.82 0.04 0.78 -1.00 0.00 0.00 179.01 179.73 1y9w h GLY 14 N 0.98 0.30 2.00 -3.84 0.00 0.20 -2.29 103.07 100.42 1y9w h GLY 14 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1y9w h GLY 14 CO 0.05 0.18 -0.15 1.05 0.00 0.00 0.00 176.54 177.66 1y9w h GLU 15 N 0.09 0.00 -0.37 4.80 4.11 -0.95 -2.54 114.58 119.72 1y9w h GLU 15 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.42 1y9w h GLU 15 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1y9w h GLU 15 CO 0.00 0.15 -0.00 -0.92 0.07 0.00 0.00 179.01 178.31 1y9w h TYR 16 N 0.00 0.71 -0.48 2.06 3.20 -0.66 0.00 116.97 121.80 1y9w h TYR 16 Ca -0.00 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1y9w h TYR 16 Cb 0.57 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1y9w h TYR 16 CO 0.00 0.75 0.21 0.82 -1.64 0.00 0.00 178.16 178.29 1y9w h ILE 17 N 0.47 1.20 -0.21 1.81 1.08 -1.02 -1.71 117.51 119.13 1y9w h ILE 17 Ca 0.11 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1y9w h ILE 17 Cb 0.46 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1y9w h ILE 17 CO 0.02 0.23 0.10 0.50 -0.69 0.00 0.00 178.15 178.31 1y9w h LYS 18 N 0.63 0.21 -0.58 2.37 3.64 -1.33 -2.00 116.57 119.51 1y9w h LYS 18 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1y9w h LYS 18 Cb 0.17 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1y9w h LYS 18 CO -0.02 0.14 0.38 -0.91 -2.27 0.00 0.00 179.45 176.77 1y9w h ASN 19 N 0.21 0.63 -0.42 4.20 4.21 -0.83 -0.77 115.58 122.81 1y9w h ASN 19 Ca 0.08 -0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 1y9w h ASN 19 Cb 0.02 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1y9w h ASN 19 CO -0.06 0.45 -0.22 0.11 -1.29 0.00 0.00 177.43 176.42 1y9w h LYS 20 N 0.74 0.93 -0.23 0.81 1.79 -0.85 -0.07 116.57 119.70 1y9w h LYS 20 Ca 0.22 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 1y9w h LYS 20 Cb -0.03 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1y9w h LYS 20 CO -0.05 1.05 -0.13 0.28 -1.08 0.00 0.00 179.45 179.53 1y9w h VAL 21 N 0.81 1.31 -0.96 0.50 2.07 -0.77 -1.30 116.25 117.91 1y9w h VAL 21 Ca 0.11 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1y9w h VAL 21 Cb 0.78 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1y9w h VAL 21 CO 0.06 0.37 0.58 0.40 0.02 0.00 0.00 177.57 179.01 1y9w h ILE 22 N 0.21 1.26 -0.29 4.57 2.04 -1.10 -0.21 117.51 123.99 1y9w h ILE 22 Ca 0.05 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1y9w h ILE 22 Cb 0.63 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1y9w h ILE 22 CO 0.04 0.27 0.16 -0.61 0.00 0.00 0.00 178.15 178.01 1y9w h GLN 23 N 1.32 0.39 -0.42 2.37 4.15 -0.81 -1.32 115.11 120.79 1y9w h GLN 23 Ca 0.34 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 1y9w h GLN 23 Cb -0.07 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1y9w h GLN 23 CO -0.07 0.33 0.06 -0.92 -1.93 0.00 0.00 178.83 176.30 1y9w h TYR 24 N 0.35 0.75 -0.01 3.99 3.20 -0.79 -2.37 116.97 122.09 1y9w h TYR 24 Ca 0.10 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1y9w h TYR 24 Cb 0.04 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1y9w h TYR 24 CO -0.04 0.73 -0.21 -0.91 -1.64 0.00 0.00 178.16 176.09 1y9w h ASN 25 N 0.56 -0.62 0.42 -2.11 2.35 -0.85 -1.77 115.58 113.56 1y9w h ASN 25 Ca 0.13 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1y9w h ASN 25 Cb 0.39 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 1y9w h ASN 25 CO 0.01 -0.28 -0.01 0.24 -1.65 0.00 0.00 177.43 175.74 1y9w h MET 26 N -0.33 0.00 0.00 0.81 2.86 -1.18 -1.45 114.93 115.64 1y9w h MET 26 Ca 0.06 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1y9w h MET 26 Cb 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1y9w h MET 26 CO -0.20 0.01 -0.57 0.66 1.06 0.00 0.00 176.91 177.87 1y9w h SER 27 N 0.00 0.00 0.08 1.22 4.64 -0.78 -3.30 113.55 115.41 1y9w h SER 27 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1y9w h SER 27 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1y9w h SER 27 CO 0.00 0.57 -0.98 0.40 -0.87 0.00 0.00 176.83 175.95 1y9w h ILE 28 N 0.00 1.28 -3.99 0.95 1.08 -0.98 -3.46 117.51 112.39 1y9w h ILE 28 Ca -0.01 -2.40 -0.49 0.00 -0.39 0.00 0.00 64.86 61.58 1y9w h ILE 28 Cb 1.32 2.90 0.04 0.00 -3.07 0.00 0.00 36.82 38.01 1y9w h ILE 28 CO 0.07 0.64 0.44 -0.76 -0.69 0.00 0.00 178.15 177.85 1y9w s LEU 29 N -7.80 4.04 0.43 1.44 1.43 -0.63 -5.05 118.68 112.54 1y9w s LEU 29 Ca -0.19 2.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.13 1y9w s LEU 29 Cb 0.02 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 1y9w s LEU 29 CO 0.74 -0.73 0.42 0.42 0.23 0.00 0.00 176.35 177.43 1y9w s THR 30 N -1.64 2.62 0.51 5.49 -4.23 -1.26 -4.86 115.64 112.27 1y9w s THR 30 Ca 0.62 -1.30 0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1y9w s THR 30 Cb -0.24 -2.92 0.48 0.00 1.34 0.00 0.00 72.50 71.16 1y9w s THR 30 CO 0.30 0.00 1.86 0.44 -0.54 0.00 0.00 174.62 176.68 1y9w h ASP 31 N 0.93 0.08 -0.01 3.99 3.32 -1.96 -2.81 116.42 119.96 1y9w h ASP 31 Ca -0.40 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1y9w h ASP 31 Cb 1.27 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1y9w h ASP 31 CO 0.55 0.02 0.03 1.05 -1.72 0.00 0.00 179.24 179.18 1y9w h GLU 32 N 0.08 0.00 -0.10 3.56 9.09 -2.04 -1.55 114.58 123.63 1y9w h GLU 32 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1y9w h GLU 32 Cb 1.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.83 1y9w h GLU 32 CO -0.05 0.00 0.00 1.33 0.05 0.00 0.00 179.01 180.34 1y9w n VAL 33 N -3.31 0.22 -2.54 -1.06 0.24 -1.06 -4.84 118.33 105.98 1y9w n VAL 33 Ca -0.03 -0.61 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 1y9w n VAL 33 Cb 0.11 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1y9w n VAL 33 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1y9w n LYS 34 N 0.66 3.54 -2.41 7.34 5.02 -0.58 -3.66 118.16 128.06 1y9w n LYS 34 Ca 0.08 -3.63 -0.41 0.00 -2.02 0.00 0.00 58.31 52.34 1y9w n LYS 34 Cb 0.33 -2.97 -0.04 0.00 -0.02 0.00 0.00 35.03 32.34 1y9w n LYS 34 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1y9w s GLN 35 N 0.80 4.57 0.20 1.97 0.74 -1.26 -4.95 119.66 121.73 1y9w s GLN 35 Ca 0.41 1.87 -0.32 0.00 0.05 0.00 0.00 55.36 57.36 1y9w s GLN 35 Cb 0.06 -3.19 -0.13 0.00 1.10 0.00 0.00 33.01 30.85 1y9w s GLN 35 CO 0.00 0.09 1.63 -2.30 -0.55 0.00 0.00 175.29 174.17 1y9w n PRO 36 N 1.47 2.46 -2.22 1.67 -0.02 -1.26 -4.49 135.00 132.61 1y9w n PRO 36 Ca 0.00 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 1y9w n PRO 36 Cb 0.44 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 1y9w n PRO 36 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1y9w s MET 37 N 0.76 4.36 0.04 -0.52 1.75 -1.26 -4.72 119.30 119.70 1y9w s MET 37 Ca 0.75 2.04 -0.01 0.00 -1.25 0.00 0.00 55.69 57.21 1y9w s MET 37 Cb -0.58 -3.23 -0.03 0.00 2.84 0.00 0.00 34.83 33.83 1y9w s MET 37 CO 0.38 -0.33 -0.01 -1.21 -0.65 0.00 0.00 175.02 173.20 1y9w s GLU 38 N 0.50 0.49 -0.11 4.11 2.02 -0.63 -5.00 118.70 120.07 1y9w s GLU 38 Ca 0.60 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.73 1y9w s GLU 38 Cb -0.36 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1y9w s GLU 38 CO 0.34 -0.09 -0.23 -2.00 0.02 0.00 0.00 175.26 173.30 1y9w s GLU 39 N -2.71 2.99 0.13 1.61 2.12 -1.26 0.42 118.70 122.00 1y9w s GLU 39 Ca -0.04 -0.86 0.10 0.00 0.36 0.00 0.00 54.97 54.53 1y9w s GLU 39 Cb -0.01 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1y9w s GLU 39 CO -0.05 0.12 -0.20 0.54 -0.54 0.00 0.00 175.26 175.12 1y9w s VAL 40 N 0.49 2.67 -0.09 3.70 0.11 0.43 -4.99 120.40 122.73 1y9w s VAL 40 Ca -0.15 -1.62 -0.08 0.00 -2.93 0.00 0.00 61.98 57.20 1y9w s VAL 40 Cb -0.17 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.48 1y9w s VAL 40 CO 0.06 0.07 0.23 -0.55 -3.33 0.00 0.00 175.10 171.57 1y9w s SER 41 N -2.20 -0.24 0.03 3.54 0.15 -1.26 -1.21 113.70 112.51 1y9w s SER 41 Ca 0.17 0.46 0.03 0.00 0.70 0.00 0.00 55.95 57.31 1y9w s SER 41 Cb -0.10 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1y9w s SER 41 CO 0.09 -0.08 -0.09 -0.76 1.20 0.00 0.00 173.24 173.60 1y9w s LEU 42 N 0.21 2.16 0.00 3.45 1.43 0.02 -5.00 118.68 120.95 1y9w s LEU 42 Ca -0.01 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1y9w s LEU 42 Cb -0.02 -0.30 -0.00 0.00 0.03 0.00 0.00 46.19 45.90 1y9w s LEU 42 CO -0.00 -0.07 0.10 0.68 0.23 0.00 0.00 176.35 177.29 1y9w s VAL 43 N -0.87 0.08 -0.25 -1.59 -7.23 -1.26 -0.61 120.40 108.66 1y9w s VAL 43 Ca -0.04 -0.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1y9w s VAL 43 Cb -0.07 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1y9w s VAL 43 CO 0.00 -0.36 0.10 0.54 -0.31 0.00 0.00 175.10 175.08 1y9w s VAL 44 N -1.21 4.63 0.27 1.32 0.11 -0.44 -4.95 120.40 120.14 1y9w s VAL 44 Ca -0.13 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1y9w s VAL 44 Cb -0.07 -3.17 -0.05 0.00 -1.53 0.00 0.00 36.38 31.57 1y9w s VAL 44 CO 0.01 0.33 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.49 1y9w s LYS 45 N 1.47 2.04 0.68 1.54 1.02 -1.26 -2.59 119.74 122.65 1y9w s LYS 45 Ca 0.06 -1.57 -0.05 0.00 0.02 0.00 0.00 55.97 54.43 1y9w s LYS 45 Cb -0.15 -2.00 0.06 0.00 -0.52 0.00 0.00 37.83 35.22 1y9w s LYS 45 CO 0.05 0.34 0.97 1.21 -0.92 0.00 0.00 175.35 177.01 1y9w s ASN 46 N -3.61 4.85 0.47 2.83 3.04 0.42 -4.86 114.94 118.07 1y9w s ASN 46 Ca 0.31 0.33 0.12 0.00 0.04 0.00 0.00 52.86 53.66 1y9w s ASN 46 Cb -0.06 -1.00 1.07 0.00 -1.54 0.00 0.00 41.25 39.72 1y9w s ASN 46 CO 0.18 -1.55 2.10 -0.08 -3.04 0.00 0.00 177.10 174.71 1y9w h GLU 47 N -0.49 0.23 -0.13 0.43 4.57 -2.01 0.16 114.58 117.34 1y9w h GLU 47 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1y9w h GLU 47 Cb 1.31 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1y9w h GLU 47 CO 0.57 0.17 0.00 0.39 -1.18 0.00 0.00 179.01 178.97 1y9w n GLU 48 N -4.49 1.46 -1.45 1.92 1.02 -1.26 -4.87 120.64 112.96 1y9w n GLU 48 Ca -0.00 -0.70 -0.02 0.00 -0.02 0.00 0.00 57.16 56.42 1y9w n GLU 48 Cb 0.09 -1.30 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1y9w n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y9w n GLY 49 N 0.95 0.44 3.77 0.62 0.00 0.55 -5.02 105.19 106.50 1y9w n GLY 49 Ca 0.13 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1y9w n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y9w s LYS 50 N -2.95 4.44 -0.19 1.61 2.36 -1.25 -4.69 119.74 119.06 1y9w s LYS 50 Ca 0.00 0.99 -0.06 0.00 -2.55 0.00 0.00 55.97 54.35 1y9w s LYS 50 Cb 0.00 -3.30 -0.03 0.00 -1.05 0.00 0.00 37.83 33.45 1y9w s LYS 50 CO 0.00 0.46 0.02 -1.50 1.55 0.00 0.00 175.35 175.87 1y9w s ILE 51 N -0.62 4.21 -0.14 5.43 2.07 -1.26 0.16 121.20 131.05 1y9w s ILE 51 Ca 0.35 -0.23 0.08 0.00 -1.41 0.00 0.00 60.65 59.44 1y9w s ILE 51 Cb -0.21 -2.89 0.15 0.00 0.13 0.00 0.00 42.46 39.64 1y9w s ILE 51 CO 0.22 0.44 1.09 0.49 -1.91 0.00 0.00 174.94 175.28 1y9w n PHE 52 N 3.93 0.10 -3.62 3.50 3.01 -1.07 -4.97 117.46 118.34 1y9w n PHE 52 Ca -0.17 -0.68 -0.00 0.00 1.01 0.00 0.00 57.45 57.61 1y9w n PHE 52 Cb 0.52 -0.09 -0.01 0.00 -0.01 0.00 0.00 39.48 39.88 1y9w n PHE 52 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1y9w s GLY 53 N -1.65 -0.30 0.00 1.37 0.00 -1.25 0.60 107.32 106.08 1y9w s GLY 53 Ca 0.15 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.47 1y9w s GLY 53 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1y9w n GLY 54 N -0.17 0.68 3.14 0.20 0.00 0.12 -1.33 105.19 107.83 1y9w n GLY 54 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1y9w n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y9w s VAL 55 N -2.00 0.02 0.03 1.61 0.11 0.22 -0.25 120.40 120.14 1y9w s VAL 55 Ca 0.00 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1y9w s VAL 55 Cb 0.00 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1y9w s VAL 55 CO 0.00 -0.10 -0.11 0.42 -3.33 0.00 0.00 175.10 171.99 1y9w s THR 56 N -0.32 0.81 0.27 5.04 -4.23 0.51 -0.80 115.64 116.92 1y9w s THR 56 Ca -0.04 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 1y9w s THR 56 Cb -0.03 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1y9w s THR 56 CO 0.01 -0.08 0.52 -0.83 -0.54 0.00 0.00 174.62 173.69 1y9w s GLY 57 N -1.07 0.56 -0.04 3.99 0.00 -0.35 -0.54 107.32 109.87 1y9w s GLY 57 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1y9w s GLY 57 CO 0.01 -0.60 -0.13 -1.59 0.00 0.00 0.00 173.10 170.79 1y9w s THR 58 N -3.83 1.08 -0.07 0.90 2.01 -0.01 -0.43 115.64 115.30 1y9w s THR 58 Ca 0.22 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1y9w s THR 58 Cb -0.01 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1y9w s THR 58 CO 0.10 0.33 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.21 1y9w s MET 59 N 0.24 2.70 -0.20 4.92 -1.94 0.17 -0.75 119.30 124.44 1y9w s MET 59 Ca -0.06 -0.63 -0.36 0.00 -1.71 0.00 0.00 55.69 52.93 1y9w s MET 59 Cb -0.11 -2.49 0.14 0.00 2.01 0.00 0.00 34.83 34.38 1y9w s MET 59 CO 0.02 0.60 1.23 1.52 -0.01 0.00 0.00 175.02 178.38 1y9w s TYR 60 N -0.65 -0.11 -1.82 -0.03 -0.85 -0.90 -1.61 117.35 111.39 1y9w s TYR 60 Ca 0.10 0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 1y9w s TYR 60 Cb -0.11 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.74 1y9w s TYR 60 CO 0.01 -0.18 0.00 1.19 -1.52 0.00 0.00 175.55 175.05 1y9w n PHE 61 N -0.08 -0.35 -3.52 -3.49 3.72 -1.24 -1.64 117.46 110.86 1y9w n PHE 61 Ca 0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.22 1y9w n PHE 61 Cb 0.58 -3.20 0.08 0.00 -0.94 0.00 0.00 39.48 35.99 1y9w n PHE 61 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1y9w n TYR 62 N -2.50 -2.22 -3.73 1.38 4.01 -1.26 -4.86 117.16 107.98 1y9w n TYR 62 Ca -0.18 0.93 -0.12 0.00 -0.16 0.00 0.00 57.90 58.37 1y9w n TYR 62 Cb 0.60 -4.92 -0.07 0.00 -0.31 0.00 0.00 39.34 34.64 1y9w n TYR 62 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1y9w s HIS 63 N -3.41 -0.13 -0.13 -0.72 -3.43 -0.65 0.90 115.29 107.72 1y9w s HIS 63 Ca 0.09 -0.01 -0.01 0.00 -0.80 0.00 0.00 55.06 54.33 1y9w s HIS 63 Cb -0.04 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 1y9w s HIS 63 CO 0.75 -0.53 -0.11 -1.17 -2.00 0.00 0.00 174.74 171.68 1y9w s LEU 64 N -2.13 2.86 -0.24 5.38 2.96 -0.62 -2.11 118.68 124.77 1y9w s LEU 64 Ca -0.04 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1y9w s LEU 64 Cb -0.00 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1y9w s LEU 64 CO -0.04 0.19 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.87 1y9w s HIS 65 N 0.23 3.02 -0.36 5.38 5.65 0.07 -0.55 115.29 128.75 1y9w s HIS 65 Ca -0.07 -1.11 -0.27 0.00 0.25 0.00 0.00 55.06 53.86 1y9w s HIS 65 Cb -0.15 -2.12 0.02 0.00 -1.18 0.00 0.00 32.58 29.14 1y9w s HIS 65 CO 0.05 -0.60 0.98 0.42 -0.65 0.00 0.00 174.74 174.94 1y9w s ILE 66 N 1.44 4.54 -0.09 0.89 1.01 -0.65 -0.83 121.20 127.51 1y9w s ILE 66 Ca 0.04 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 61.90 1y9w s ILE 66 Cb -0.15 -4.37 -0.28 0.00 0.01 0.00 0.00 42.46 37.66 1y9w s ILE 66 CO -0.02 -0.53 0.63 0.44 0.00 0.00 0.00 174.94 175.45 1y9w h ASP 67 N 8.38 0.42 -4.12 3.58 3.32 -1.15 -3.43 116.42 123.43 1y9w h ASP 67 Ca -0.22 -0.88 -0.16 0.00 0.02 0.00 0.00 57.03 55.79 1y9w h ASP 67 Cb 1.07 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.24 1y9w h ASP 67 CO 1.00 1.59 -0.42 -0.36 -1.72 0.00 0.00 179.24 179.33 1y9w s PHE 68 N -2.48 -0.21 -0.07 4.55 0.08 -0.99 -5.01 117.98 113.86 1y9w s PHE 68 Ca -0.18 0.50 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1y9w s PHE 68 Cb 0.04 0.07 0.03 0.00 -0.57 0.00 0.00 43.02 42.59 1y9w s PHE 68 CO 0.79 -0.18 0.05 -1.17 -0.10 0.00 0.00 175.22 174.61 1y9w s LEU 69 N -0.25 0.29 0.08 -0.37 0.20 -1.26 -0.37 118.68 117.00 1y9w s LEU 69 Ca -0.04 -0.06 0.07 0.00 0.69 0.00 0.00 54.13 54.79 1y9w s LEU 69 Cb -0.03 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 1y9w s LEU 69 CO 0.01 -0.25 -0.18 0.86 -0.29 0.00 0.00 176.35 176.49 1y9w s TRP 70 N 2.12 1.58 -0.14 5.38 -0.00 0.65 -5.00 118.94 123.53 1y9w s TRP 70 Ca 0.04 -0.41 -0.05 0.00 -0.00 0.00 0.00 56.10 55.68 1y9w s TRP 70 Cb -0.13 -0.89 0.07 0.00 -0.00 0.00 0.00 33.47 32.52 1y9w s TRP 70 CO -0.04 0.13 0.28 0.08 -0.00 0.00 0.00 176.95 177.40 1y9w s VAL 71 N -1.10 -0.43 0.28 5.86 1.01 -1.26 -0.71 120.40 124.06 1y9w s VAL 71 Ca 0.04 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1y9w s VAL 71 Cb -0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 36.38 35.68 1y9w s VAL 71 CO 0.03 0.11 1.16 -0.67 0.00 0.00 0.00 175.10 175.73 1y9w n ASP 72 N 5.31 1.88 -0.31 3.32 2.03 0.20 -4.77 116.55 124.21 1y9w n ASP 72 Ca -0.07 1.18 0.07 0.00 0.52 0.00 0.00 54.79 56.48 1y9w n ASP 72 Cb 0.50 -1.35 0.22 0.00 -0.72 0.00 0.00 41.12 39.77 1y9w n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1y9w h GLU 73 N 2.64 0.73 0.00 -0.67 4.22 -1.99 -1.37 114.58 118.14 1y9w h GLU 73 Ca -0.42 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1y9w h GLU 73 Cb 1.32 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1y9w h GLU 73 CO 0.65 0.48 0.00 -1.13 -2.18 0.00 0.00 179.01 176.83 1y9w n SER 74 N -4.78 0.00 -0.44 1.04 3.41 -1.26 -1.63 113.62 109.96 1y9w n SER 74 Ca 0.17 0.43 0.03 0.00 -0.26 0.00 0.00 58.87 59.24 1y9w n SER 74 Cb 0.39 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1y9w n SER 74 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1y9w n VAL 75 N -1.43 0.54 0.33 -3.33 3.14 -0.54 -4.89 118.33 112.14 1y9w n VAL 75 Ca 0.00 -0.71 0.21 0.00 -2.96 0.00 0.00 64.34 60.88 1y9w n VAL 75 Cb 0.00 0.32 1.13 0.00 -1.06 0.00 0.00 33.84 34.23 1y9w n VAL 75 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1y9w h ARG 76 N 0.07 0.00 -0.56 1.45 0.11 -1.08 -1.88 114.38 112.50 1y9w h ARG 76 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1y9w h ARG 76 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1y9w h ARG 76 CO 0.01 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.80 1y9w n HIS 77 N -3.27 0.74 1.50 4.08 8.25 -1.26 -4.47 115.22 120.79 1y9w n HIS 77 Ca -0.03 -0.41 0.12 0.00 -0.26 0.00 0.00 57.72 57.14 1y9w n HIS 77 Cb 0.09 -0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.70 1y9w n HIS 77 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1y9w n ASP 78 N 1.42 1.20 -0.34 0.41 8.00 -0.71 -4.95 116.55 121.58 1y9w n ASP 78 Ca 0.21 -1.53 -0.04 0.00 0.71 0.00 0.00 54.79 54.13 1y9w n ASP 78 Cb 0.58 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 1y9w n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9w n GLY 79 N 1.08 0.68 0.15 0.44 0.00 -1.26 -4.92 105.19 101.36 1y9w n GLY 79 Ca 0.17 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.35 1y9w n GLY 79 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1y9w h TYR 80 N 0.00 0.00 -0.38 1.61 0.05 -1.90 -3.17 116.97 113.18 1y9w h TYR 80 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1y9w h TYR 80 Cb 0.33 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1y9w h TYR 80 CO 0.12 0.52 0.25 0.78 -1.05 0.00 0.00 178.16 178.78 1y9w h GLY 81 N 2.68 0.54 0.98 3.88 0.00 -1.92 -1.47 103.07 107.75 1y9w h GLY 81 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1y9w h GLY 81 CO 0.07 0.20 0.16 1.76 0.00 0.00 0.00 176.54 178.73 1y9w h SER 82 N 0.51 0.76 -0.40 0.19 0.02 -1.97 -2.02 113.55 110.64 1y9w h SER 82 Ca 0.14 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1y9w h SER 82 Cb -0.05 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1y9w h SER 82 CO -0.03 0.77 0.21 1.56 -1.14 0.00 0.00 176.83 178.20 1y9w h GLN 83 N 0.71 0.42 -0.94 3.45 4.20 -1.47 -0.21 115.11 121.28 1y9w h GLN 83 Ca 0.17 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1y9w h GLN 83 Cb 0.28 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 1y9w h GLN 83 CO -0.00 0.28 0.56 -0.07 -0.67 0.00 0.00 178.83 178.92 1y9w h LEU 84 N 0.43 1.13 -0.41 1.46 3.38 -1.13 -0.46 115.31 119.72 1y9w h LEU 84 Ca 0.16 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1y9w h LEU 84 Cb 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1y9w h LEU 84 CO -0.10 0.87 -0.12 0.25 0.09 0.00 0.00 178.44 179.44 1y9w h LEU 85 N 1.29 0.81 -0.52 1.67 5.85 -0.86 -1.76 115.31 121.80 1y9w h LEU 85 Ca 0.33 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1y9w h LEU 85 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1y9w h LEU 85 CO -0.06 1.00 0.14 0.45 -0.34 0.00 0.00 178.44 179.62 1y9w h HIS 86 N 0.62 0.86 0.13 1.25 3.86 -0.75 -1.93 115.15 119.19 1y9w h HIS 86 Ca 0.10 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1y9w h HIS 86 Cb 0.65 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1y9w h HIS 86 CO 0.05 0.75 -0.06 0.93 0.86 0.00 0.00 177.93 180.46 1y9w h GLU 87 N 0.71 -0.17 -0.06 2.45 4.39 -1.01 -1.52 114.58 119.37 1y9w h GLU 87 Ca 0.16 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1y9w h GLU 87 Cb 0.32 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1y9w h GLU 87 CO -0.00 0.01 -0.31 0.97 -1.16 0.00 0.00 179.01 178.52 1y9w h ILE 88 N -0.32 1.24 -0.56 3.13 2.10 -1.33 -1.72 117.51 120.05 1y9w h ILE 88 Ca -0.02 -1.15 -0.07 0.00 1.08 0.00 0.00 64.86 64.70 1y9w h ILE 88 Cb 0.26 1.54 -0.02 0.00 -1.09 0.00 0.00 36.82 37.51 1y9w h ILE 88 CO 0.03 0.34 0.05 -0.33 -1.08 0.00 0.00 178.15 177.16 1y9w h GLU 89 N 0.09 0.92 -0.55 2.19 5.08 -1.18 0.24 114.58 121.37 1y9w h GLU 89 Ca 0.01 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1y9w h GLU 89 Cb 0.59 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1y9w h GLU 89 CO 0.04 0.88 0.25 0.78 -1.00 0.00 0.00 179.01 179.96 1y9w h GLY 90 N 1.00 0.87 0.98 -3.84 0.00 -0.44 -0.79 103.07 100.86 1y9w h GLY 90 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1y9w h GLY 90 CO 0.02 0.43 0.28 -2.22 0.00 0.00 0.00 176.54 175.04 1y9w h ILE 91 N 0.75 1.19 -0.32 2.60 2.04 -0.82 -1.68 117.51 121.27 1y9w h ILE 91 Ca 0.19 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1y9w h ILE 91 Cb 0.16 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1y9w h ILE 91 CO -0.02 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.47 1y9w h ALA 92 N 1.12 0.37 -0.58 1.87 0.00 -0.54 -1.64 119.26 119.86 1y9w h ALA 92 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1y9w h ALA 92 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1y9w h ALA 92 CO -0.03 -0.26 0.35 0.87 0.00 0.00 0.00 179.25 180.19 1y9w h LYS 93 N 0.29 0.79 0.00 0.00 1.57 -0.87 -1.27 116.57 117.08 1y9w h LYS 93 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1y9w h LYS 93 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1y9w h LYS 93 CO -0.12 0.56 -0.07 1.49 -0.57 0.00 0.00 179.45 180.75 1y9w h GLU 94 N 0.78 0.00 -0.01 3.15 4.81 -0.94 -1.18 114.58 121.19 1y9w h GLU 94 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1y9w h GLU 94 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1y9w h GLU 94 CO -0.04 0.07 -0.10 1.63 -0.73 0.00 0.00 179.01 179.83 1y9w n LYS 95 N -4.30 0.98 -0.44 1.92 4.76 -0.65 -4.93 118.16 115.50 1y9w n LYS 95 Ca -0.03 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 1y9w n LYS 95 Cb 0.15 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1y9w n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y9w n GLY 96 N 1.24 0.75 3.77 0.72 0.00 -0.45 -5.03 105.19 106.19 1y9w n GLY 96 Ca 0.16 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1y9w n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y9w n ARG 98 N 0.57 0.59 -3.81 0.00 1.74 0.26 -4.67 116.66 111.34 1y9w n ARG 98 Ca 0.01 0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1y9w n ARG 98 Cb 0.42 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 1y9w n ARG 98 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1y9w s LEU 99 N -4.96 -0.17 -0.04 0.55 2.34 -1.25 -0.57 118.68 114.58 1y9w s LEU 99 Ca -0.02 -0.57 0.03 0.00 0.06 0.00 0.00 54.13 53.62 1y9w s LEU 99 Cb 0.11 2.43 0.00 0.00 -0.56 0.00 0.00 46.19 48.18 1y9w s LEU 99 CO 0.83 -1.15 -0.13 -0.63 -1.06 0.00 0.00 176.35 174.21 1y9w s ILE 100 N -3.34 1.12 0.06 1.48 1.01 0.12 -1.59 121.20 120.07 1y9w s ILE 100 Ca 0.13 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.34 1y9w s ILE 100 Cb -0.04 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1y9w s ILE 100 CO 0.05 0.34 -0.24 -0.76 0.00 0.00 0.00 174.94 174.33 1y9w s LEU 101 N 0.25 2.21 0.04 2.97 1.43 0.29 -1.30 118.68 124.57 1y9w s LEU 101 Ca -0.06 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.16 1y9w s LEU 101 Cb -0.11 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.09 1y9w s LEU 101 CO 0.02 0.18 0.91 -1.48 0.23 0.00 0.00 176.35 176.22 1y9w s LEU 102 N -1.42 -0.31 0.13 1.79 0.05 -0.91 -1.64 118.68 116.37 1y9w s LEU 102 Ca 0.10 -0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.21 1y9w s LEU 102 Cb -0.10 2.05 -0.04 0.00 -2.05 0.00 0.00 46.19 46.06 1y9w s LEU 102 CO 0.03 -0.69 -0.11 1.51 -0.55 0.00 0.00 176.35 176.53 1y9w s ASP 103 N -2.62 1.74 -0.12 1.48 -4.77 -1.26 -0.32 116.67 110.81 1y9w s ASP 103 Ca 0.07 -0.91 -0.06 0.00 -3.30 0.00 0.00 52.55 48.35 1y9w s ASP 103 Cb -0.01 -0.02 0.05 0.00 -1.09 0.00 0.00 42.92 41.85 1y9w s ASP 103 CO -0.06 -0.27 0.28 -0.55 0.70 0.00 0.00 175.17 175.27 1y9w s SER 104 N -2.80 -0.29 0.70 2.11 0.15 0.11 -4.97 113.70 108.70 1y9w s SER 104 Ca 0.12 0.60 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 1y9w s SER 104 Cb -0.01 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1y9w s SER 104 CO 0.01 -0.18 1.06 -0.36 1.20 0.00 0.00 173.24 174.98 1y9w s PHE 105 N 1.36 3.19 0.60 3.44 0.08 -1.26 -0.07 117.98 125.31 1y9w s PHE 105 Ca -0.09 1.33 0.30 0.00 0.12 0.00 0.00 56.93 58.59 1y9w s PHE 105 Cb -0.10 -2.90 1.72 0.00 -0.57 0.00 0.00 43.02 41.17 1y9w s PHE 105 CO -0.09 -1.21 2.11 0.66 -0.10 0.00 0.00 175.22 176.59 1y9w h SER 106 N -0.69 0.00 -0.42 1.36 4.64 -1.11 0.75 113.55 118.08 1y9w h SER 106 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1y9w h SER 106 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1y9w h SER 106 CO 0.59 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.77 1y9w n PHE 107 N -3.67 0.56 -1.11 4.77 1.16 -1.26 -3.98 117.46 113.93 1y9w n PHE 107 Ca 0.01 -0.28 0.08 0.00 -1.87 0.00 0.00 57.45 55.39 1y9w n PHE 107 Cb 0.30 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.37 1y9w n PHE 107 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1y9w n GLN 108 N 0.78 1.93 -2.83 3.97 6.02 0.26 -5.02 117.38 122.49 1y9w n GLN 108 Ca 0.15 -2.77 -0.09 0.00 -0.01 0.00 0.00 57.00 54.28 1y9w n GLN 108 Cb 0.38 -1.66 0.04 0.00 1.02 0.00 0.00 30.24 30.02 1y9w n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y9w n ALA 109 N -1.06 -2.10 0.25 -1.58 0.00 -1.25 -4.85 120.51 109.90 1y9w n ALA 109 Ca 0.19 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1y9w n ALA 109 Cb 0.77 -3.88 0.74 0.00 0.00 0.00 0.00 19.45 17.08 1y9w n ALA 109 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1y9w h PRO 110 N -0.58 0.00 0.00 0.00 0.13 -1.81 -0.83 132.00 128.92 1y9w h PRO 110 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1y9w h PRO 110 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y9w h PRO 110 CO 0.32 0.00 -0.10 1.49 -0.23 0.00 0.00 178.00 179.47 1y9w h GLU 111 N 0.00 0.00 -0.94 0.86 4.57 -1.95 -1.99 114.58 115.12 1y9w h GLU 111 Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1y9w h GLU 111 Cb 0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1y9w h GLU 111 CO -0.00 0.10 0.56 0.35 -1.18 0.00 0.00 179.01 178.85 1y9w h PHE 112 N 0.00 1.25 -0.13 0.92 3.57 -1.50 0.07 116.94 121.13 1y9w h PHE 112 Ca -0.00 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1y9w h PHE 112 Cb 0.19 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1y9w h PHE 112 CO 0.00 0.83 -0.73 1.88 -2.23 0.00 0.00 178.31 178.06 1y9w h TYR 113 N 1.30 0.81 -0.71 0.41 0.05 -1.45 -2.95 116.97 114.43 1y9w h TYR 113 Ca 0.34 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1y9w h TYR 113 Cb -0.05 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1y9w h TYR 113 CO 0.01 1.14 0.39 0.87 -1.05 0.00 0.00 178.16 179.52 1y9w h LYS 114 N 0.42 0.98 0.00 4.88 1.57 -0.92 -0.96 116.57 122.53 1y9w h LYS 114 Ca -0.04 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1y9w h LYS 114 Cb 1.33 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1y9w h LYS 114 CO 0.14 0.73 -0.02 0.87 -0.57 0.00 0.00 179.45 180.60 1y9w h LYS 115 N 0.97 0.00 -0.62 3.15 1.57 -0.91 -1.58 116.57 119.15 1y9w h LYS 115 Ca 0.25 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1y9w h LYS 115 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1y9w h LYS 115 CO -0.04 0.02 0.08 0.72 -0.57 0.00 0.00 179.45 179.66 1y9w n HIS 116 N -3.42 2.19 -0.79 -1.35 8.25 -0.46 -4.93 115.22 114.70 1y9w n HIS 116 Ca -0.03 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1y9w n HIS 116 Cb 0.12 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1y9w n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y9w n GLY 117 N 0.38 0.59 3.79 -1.41 0.00 -0.59 -5.05 105.19 102.89 1y9w n GLY 117 Ca 0.32 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1y9w n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y9w s TYR 118 N -2.00 3.80 -0.10 1.61 2.02 -0.65 -4.76 117.35 117.28 1y9w s TYR 118 Ca 0.00 1.52 -0.02 0.00 -0.37 0.00 0.00 57.07 58.19 1y9w s TYR 118 Cb 0.00 -2.69 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 1y9w s TYR 118 CO 0.00 0.45 0.01 0.50 -1.57 0.00 0.00 175.55 174.94 1y9w s ARG 119 N -1.45 3.10 -0.31 -0.62 3.52 0.85 -4.34 118.95 119.70 1y9w s ARG 119 Ca 0.38 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.32 1y9w s ARG 119 Cb -0.20 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1y9w s ARG 119 CO 0.24 0.65 0.88 -2.00 -0.81 0.00 0.00 175.30 174.26 1y9w s GLU 120 N -0.73 3.99 0.00 5.12 2.12 -1.26 -0.65 118.70 127.29 1y9w s GLU 120 Ca 0.11 0.74 0.16 0.00 0.36 0.00 0.00 54.97 56.35 1y9w s GLU 120 Cb -0.12 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 1y9w s GLU 120 CO 0.02 -0.75 0.83 2.48 -0.54 0.00 0.00 175.26 177.30 1y9w n TYR 121 N 6.42 0.00 -3.58 5.30 0.18 -0.18 -5.00 117.16 120.30 1y9w n TYR 121 Ca 0.06 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.73 1y9w n TYR 121 Cb 0.48 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.38 1y9w n TYR 121 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1y9w s GLY 122 N -1.89 -0.28 0.00 -7.48 0.00 -1.19 -5.01 107.32 91.46 1y9w s GLY 122 Ca 0.13 2.01 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1y9w s GLY 122 CO 0.41 1.07 -0.01 0.14 0.00 0.00 0.00 173.10 174.71 1y9w s VAL 123 N -1.04 0.06 -0.29 1.40 1.01 -1.26 -0.36 120.40 119.91 1y9w s VAL 123 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1y9w s VAL 123 Cb -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 36.38 36.36 1y9w s VAL 123 CO 0.02 -0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.41 1y9w s VAL 124 N -0.08 2.89 0.57 2.92 1.01 0.22 -4.99 120.40 122.95 1y9w s VAL 124 Ca -0.00 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 1y9w s VAL 124 Cb -0.01 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1y9w s VAL 124 CO -0.00 -0.09 1.09 -1.61 0.00 0.00 0.00 175.10 174.48 1y9w s GLU 125 N 1.24 3.30 -1.44 2.72 0.41 -1.26 -0.70 118.70 122.97 1y9w s GLU 125 Ca -0.06 1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 55.77 1y9w s GLU 125 Cb -0.20 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1y9w s GLU 125 CO -0.02 -0.85 0.23 -3.47 -0.49 0.00 0.00 175.26 170.66 1y9w n ASP 126 N -1.71 -0.74 -3.51 -0.19 2.03 -0.63 -4.89 116.55 106.91 1y9w n ASP 126 Ca 0.10 -1.29 -0.18 0.00 0.52 0.00 0.00 54.79 53.94 1y9w n ASP 126 Cb 0.52 -1.60 -0.13 0.00 -0.72 0.00 0.00 41.12 39.18 1y9w n ASP 126 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1y9w s HIS 127 N -4.10 -0.26 0.95 -0.67 2.46 -0.02 -3.55 115.29 110.10 1y9w s HIS 127 Ca 0.17 0.25 -0.12 0.00 0.47 0.00 0.00 55.06 55.82 1y9w s HIS 127 Cb -0.09 -0.36 0.16 0.00 -0.13 0.00 0.00 32.58 32.16 1y9w s HIS 127 CO 0.99 -0.57 1.12 -1.25 -2.47 0.00 0.00 174.74 172.56 1y9w s PRO 128 N 2.32 0.82 -0.12 2.88 0.04 -1.26 -3.05 135.00 136.63 1y9w s PRO 128 Ca 0.06 0.36 -0.40 0.00 0.04 0.00 0.00 61.00 61.07 1y9w s PRO 128 Cb -0.15 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 1y9w s PRO 128 CO -0.12 -2.43 1.41 1.17 0.04 0.00 0.00 177.00 177.08 1y9w n LYS 129 N -3.94 0.66 -0.28 4.56 4.81 -1.23 -0.15 118.16 122.59 1y9w n LYS 129 Ca 0.06 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1y9w n LYS 129 Cb 0.59 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1y9w n LYS 129 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y9w n GLY 130 N 2.92 0.86 0.00 3.14 0.00 -1.26 -5.02 105.19 105.83 1y9w n GLY 130 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1y9w n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y9w n HIS 131 N -2.00 0.00 -3.65 1.61 8.25 0.79 -5.01 115.22 115.21 1y9w n HIS 131 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1y9w n HIS 131 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1y9w n HIS 131 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1y9w s SER 132 N -0.62 -0.22 -0.10 0.41 1.04 -1.17 -0.84 113.70 112.20 1y9w s SER 132 Ca 0.00 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.16 1y9w s SER 132 Cb 0.00 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1y9w s SER 132 CO 0.00 -0.82 -0.18 -1.58 0.98 0.00 0.00 173.24 171.64 1y9w s GLN 133 N -3.63 3.07 -0.14 4.02 0.74 0.12 -0.45 119.66 123.39 1y9w s GLN 133 Ca 0.02 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1y9w s GLN 133 Cb 0.02 -2.45 -0.00 0.00 1.10 0.00 0.00 33.01 31.67 1y9w s GLN 133 CO -0.11 0.29 -0.17 -1.01 -0.55 0.00 0.00 175.29 173.74 1y9w s HIS 134 N 0.12 2.74 -0.23 1.67 3.76 0.90 -0.61 115.29 123.64 1y9w s HIS 134 Ca -0.09 -1.03 -0.11 0.00 -0.15 0.00 0.00 55.06 53.69 1y9w s HIS 134 Cb -0.15 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1y9w s HIS 134 CO 0.05 -0.45 0.16 -0.06 -0.85 0.00 0.00 174.74 173.60 1y9w s PHE 135 N 0.68 3.33 0.18 1.40 0.40 0.51 0.04 117.98 124.52 1y9w s PHE 135 Ca -0.08 0.26 0.11 0.00 -0.60 0.00 0.00 56.93 56.61 1y9w s PHE 135 Cb -0.16 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1y9w s PHE 135 CO 0.02 0.10 -0.21 -0.06 0.70 0.00 0.00 175.22 175.77 1y9w s PHE 136 N 0.95 2.38 -0.01 0.36 0.08 0.57 -1.01 117.98 121.29 1y9w s PHE 136 Ca 0.08 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 56.74 1y9w s PHE 136 Cb -0.13 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1y9w s PHE 136 CO 0.04 0.49 0.13 -1.83 -0.10 0.00 0.00 175.22 173.94 1y9w s GLU 137 N -2.63 0.40 -0.08 0.44 -1.05 0.18 -2.15 118.70 113.80 1y9w s GLU 137 Ca 0.21 -0.28 -0.03 0.00 -0.15 0.00 0.00 54.97 54.72 1y9w s GLU 137 Cb -0.08 0.17 0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1y9w s GLU 137 CO 0.11 -0.09 0.06 0.21 0.95 0.00 0.00 175.26 176.50 1y9w s LYS 138 N -1.06 0.07 0.19 -4.83 2.20 -0.42 -0.10 119.74 115.79 1y9w s LYS 138 Ca -0.11 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1y9w s LYS 138 Cb -0.06 -0.97 -0.08 0.00 -1.51 0.00 0.00 37.83 35.21 1y9w s LYS 138 CO 0.01 -0.43 1.04 1.03 -0.36 0.00 0.00 175.35 176.64 1y9w s ARG 139 N 2.12 4.67 0.00 4.03 1.81 -1.26 -0.70 118.95 129.62 1y9w s ARG 139 Ca 0.04 1.63 0.25 0.00 -1.72 0.00 0.00 55.73 55.92 1y9w s ARG 139 Cb -0.13 -3.29 0.34 0.00 -0.45 0.00 0.00 34.95 31.42 1y9w s ARG 139 CO -0.05 0.21 1.35 1.28 -0.68 0.00 0.00 175.30 177.40