#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgm n SER 104 N 0.00 0.00 -2.89 0.53 3.41 -1.26 -5.04 113.62 108.37 2hgm n SER 104 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2hgm n SER 104 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hgm n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgm s ALA 105 N 0.00 -2.26 0.10 7.33 0.00 -1.26 -5.04 121.76 120.63 2hgm s ALA 105 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 2hgm s ALA 105 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.40 2hgm s ALA 105 CO 0.00 -2.24 0.30 -0.51 0.00 0.00 0.00 175.76 173.31 2hgm s ASP 106 N 1.17 -0.08 0.22 0.00 1.01 -1.26 -3.67 116.67 114.06 2hgm s ASP 106 Ca 0.26 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.09 2hgm s ASP 106 Cb -0.01 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.33 2hgm s ASP 106 CO -0.06 -0.77 0.00 -1.20 0.21 0.00 0.00 175.17 173.35 2hgm n SER 107 N -0.04 0.29 0.00 0.27 7.64 -1.26 -5.10 113.62 115.43 2hgm n SER 107 Ca -0.16 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2hgm n SER 107 Cb 0.63 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2hgm n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgm n ALA 108 N -3.49 0.04 0.00 -0.43 0.00 -1.26 -5.03 120.51 110.34 2hgm n ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgm n ALA 108 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgm n ALA 108 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2hgm n ASN 109 N -1.47 0.00 -2.27 0.00 0.23 -1.26 -4.55 115.26 105.94 2hgm n ASN 109 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2hgm n ASN 109 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2hgm n ASN 109 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2hgm n ASP 110 N -0.15 0.00 -4.56 0.53 5.75 -1.26 -2.70 116.55 114.16 2hgm n ASP 110 Ca 0.00 -0.69 -0.16 0.00 -0.01 0.00 0.00 54.79 53.93 2hgm n ASP 110 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2hgm n ASP 110 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hgm s GLY 111 N 1.37 -0.62 0.27 6.12 0.00 -1.26 -4.29 107.32 108.91 2hgm s GLY 111 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 44.72 43.86 2hgm s GLY 111 CO 0.00 4.08 0.17 -1.36 0.00 0.00 0.00 173.10 175.99 2hgm s PHE 112 N 13.84 2.99 -0.15 1.90 0.08 -0.68 -0.82 117.98 135.14 2hgm s PHE 112 Ca 0.88 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.73 2hgm s PHE 112 Cb -0.12 -1.41 0.07 0.00 -0.57 0.00 0.00 43.02 40.99 2hgm s PHE 112 CO 0.06 0.50 0.22 0.08 -0.10 0.00 0.00 175.22 175.98 2hgm s VAL 113 N -2.20 -0.34 -0.25 -0.44 1.01 0.44 -1.72 120.40 116.90 2hgm s VAL 113 Ca 0.34 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2hgm s VAL 113 Cb -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2hgm s VAL 113 CO 0.24 -0.00 0.68 -0.60 0.00 0.00 0.00 175.10 175.42 2hgm s ARG 114 N 2.35 4.13 0.53 2.72 3.52 0.15 -1.03 118.95 131.32 2hgm s ARG 114 Ca 0.04 0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 56.11 2hgm s ARG 114 Cb -0.13 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.55 2hgm s ARG 114 CO -0.09 -0.43 1.07 -0.51 -0.81 0.00 0.00 175.30 174.52 2hgm s LEU 115 N 2.56 3.73 -0.01 -0.88 2.01 0.91 -1.02 118.68 125.99 2hgm s LEU 115 Ca 0.29 1.96 0.02 0.00 0.01 0.00 0.00 54.13 56.41 2hgm s LEU 115 Cb -0.15 -4.56 -0.00 0.00 0.01 0.00 0.00 46.19 41.48 2hgm s LEU 115 CO 0.08 -0.99 -0.06 -0.60 1.01 0.00 0.00 176.35 175.79 2hgm s ARG 116 N -3.46 0.51 0.00 1.70 3.00 -1.19 -2.87 118.95 116.64 2hgm s ARG 116 Ca 0.68 -0.22 0.00 0.00 -1.00 0.00 0.00 55.73 55.19 2hgm s ARG 116 Cb -0.18 -0.49 0.00 0.00 0.00 0.00 0.00 34.95 34.28 2hgm s ARG 116 CO 0.26 0.13 0.00 0.41 0.00 0.00 0.00 175.30 176.10 2hgm n GLY 117 N 2.94 0.41 3.73 8.12 0.00 0.36 -0.27 105.19 120.47 2hgm n GLY 117 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2hgm n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgm n LEU 118 N 0.00 4.57 -4.84 0.99 4.77 -0.97 -4.18 117.00 117.34 2hgm n LEU 118 Ca 0.00 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.78 2hgm n LEU 118 Cb 0.00 -1.55 0.08 0.00 -2.33 0.00 0.00 43.42 39.62 2hgm n LEU 118 CO 0.00 -0.45 0.73 -2.16 -1.33 0.00 0.00 177.39 174.18 2hgm s PRO 119 N -2.35 2.26 -0.05 3.23 0.04 -1.26 -4.31 135.00 132.56 2hgm s PRO 119 Ca 0.62 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2hgm s PRO 119 Cb -0.48 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2hgm s PRO 119 CO 0.57 -1.46 2.03 0.12 0.04 0.00 0.00 177.00 178.30 2hgm s PHE 120 N -3.28 1.27 0.00 0.56 2.19 -1.26 -1.79 117.98 115.66 2hgm s PHE 120 Ca 0.60 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.74 2hgm s PHE 120 Cb -0.13 -4.14 0.00 0.00 -1.31 0.00 0.00 43.02 37.44 2hgm s PHE 120 CO 0.53 -5.03 0.00 0.41 1.83 0.00 0.00 175.22 172.96 2hgm n GLY 121 N 4.92 0.81 3.65 13.12 0.00 -1.26 -5.06 105.19 121.36 2hgm n GLY 121 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2hgm n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgm s THR 123 N -1.43 0.00 0.35 0.00 -1.32 -1.26 -4.95 115.64 107.03 2hgm s THR 123 Ca 0.74 -1.78 0.17 0.00 -1.21 0.00 0.00 61.69 59.60 2hgm s THR 123 Cb -0.43 -2.41 0.35 0.00 -1.51 0.00 0.00 72.50 68.50 2hgm s THR 123 CO 0.48 0.00 1.60 0.50 -2.21 0.00 0.00 174.62 174.99 2hgm h LYS 124 N 2.44 0.08 -0.38 7.08 3.64 -1.97 0.66 116.57 128.13 2hgm h LYS 124 Ca -0.32 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2hgm h LYS 124 Cb 1.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2hgm h LYS 124 CO 0.45 0.05 0.25 0.93 -2.27 0.00 0.00 179.45 178.87 2hgm h GLU 125 N 0.08 0.33 0.00 1.90 3.07 -1.96 0.29 114.58 118.29 2hgm h GLU 125 Ca 0.78 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.57 2hgm h GLU 125 Cb 1.96 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.79 2hgm h GLU 125 CO -0.75 0.22 -0.28 0.93 -1.40 0.00 0.00 179.01 177.73 2hgm h GLU 126 N 0.34 0.00 -0.05 2.33 4.39 -1.27 -1.92 114.58 118.40 2hgm h GLU 126 Ca 0.16 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.64 2hgm h GLU 126 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2hgm h GLU 126 CO -0.04 0.28 -0.88 0.82 -1.16 0.00 0.00 179.01 178.04 2hgm h ILE 127 N 0.00 1.34 0.00 3.13 2.04 -1.13 -1.76 117.51 121.13 2hgm h ILE 127 Ca -0.00 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.63 2hgm h ILE 127 Cb 1.07 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2hgm h ILE 127 CO 0.04 0.68 0.00 -0.37 0.00 0.00 0.00 178.15 178.50 2hgm h VAL 128 N 0.34 0.00 0.00 1.67 -1.51 -0.23 -1.47 116.25 115.05 2hgm h VAL 128 Ca -0.07 -0.08 -0.19 0.00 -1.23 0.00 0.00 66.70 65.13 2hgm h VAL 128 Cb 1.50 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 31.46 2hgm h VAL 128 CO 0.16 0.00 -2.05 0.00 -1.23 0.00 0.00 177.57 174.45 2hgm n GLN 129 N -2.65 0.67 -0.14 5.19 -0.00 -0.75 -2.34 117.38 117.37 2hgm n GLN 129 Ca -0.01 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.00 56.87 2hgm n GLN 129 Cb 0.10 -1.57 0.01 0.00 -0.00 0.00 0.00 30.24 28.77 2hgm n GLN 129 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2hgm h PHE 130 N 0.00 0.52 -0.24 2.61 3.04 -0.47 -3.21 116.94 119.19 2hgm h PHE 130 Ca -0.26 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.52 2hgm h PHE 130 Cb 1.64 -0.17 -0.16 0.00 2.56 0.00 0.00 35.95 39.81 2hgm h PHE 130 CO 0.00 0.32 -0.64 1.19 -2.02 0.00 0.00 178.31 177.17 2hgm n PHE 131 N -4.80 0.86 0.32 0.41 3.72 -0.64 -4.58 117.46 112.74 2hgm n PHE 131 Ca 0.01 -1.68 0.15 0.00 -0.05 0.00 0.00 57.45 55.88 2hgm n PHE 131 Cb 0.03 -0.27 0.82 0.00 -0.94 0.00 0.00 39.48 39.12 2hgm n PHE 131 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2hgm h SER 132 N 1.39 0.00 -0.87 4.37 0.87 -1.47 -1.56 113.55 116.28 2hgm h SER 132 Ca 0.10 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.84 2hgm h SER 132 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 2hgm h SER 132 CO 0.24 0.00 0.57 1.23 -0.53 0.00 0.00 176.83 178.34 2hgm h GLY 133 N 0.00 0.87 -2.93 5.77 0.00 -1.84 -3.47 103.07 101.47 2hgm h GLY 133 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 2hgm h GLY 133 CO 0.00 0.02 -0.66 1.08 0.00 0.00 0.00 176.54 176.97 2hgm s LEU 134 N -9.45 2.07 0.16 3.11 1.43 -0.59 -5.16 118.68 110.25 2hgm s LEU 134 Ca -0.08 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.62 2hgm s LEU 134 Cb 0.22 0.16 -0.08 0.00 0.03 0.00 0.00 46.19 46.52 2hgm s LEU 134 CO 0.78 -0.64 0.79 -0.70 0.23 0.00 0.00 176.35 176.81 2hgm s GLU 135 N -3.97 4.58 -0.07 1.70 -6.30 -1.26 -5.01 118.70 108.37 2hgm s GLU 135 Ca 0.20 1.17 -0.04 0.00 -2.50 0.00 0.00 54.97 53.80 2hgm s GLU 135 Cb 0.07 -3.28 0.03 0.00 0.00 0.00 0.00 34.13 30.96 2hgm s GLU 135 CO -0.01 0.53 0.17 0.42 0.02 0.00 0.00 175.26 176.40 2hgm s ILE 136 N -1.00 -0.03 0.74 -3.70 1.01 -1.26 -1.58 121.20 115.38 2hgm s ILE 136 Ca 0.37 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 2hgm s ILE 136 Cb -0.23 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.01 2hgm s ILE 136 CO 0.26 0.05 1.24 1.33 0.00 0.00 0.00 174.94 177.82 2hgm n VAL 137 N 3.81 3.31 0.18 2.92 0.24 -1.14 -4.73 118.33 122.92 2hgm n VAL 137 Ca -0.22 -0.33 0.18 0.00 -2.04 0.00 0.00 64.34 61.94 2hgm n VAL 137 Cb 0.54 -1.33 0.79 0.00 -1.47 0.00 0.00 33.84 32.37 2hgm n VAL 137 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2hgm h PRO 138 N -0.29 0.00 -0.44 7.34 0.11 -1.97 0.12 132.00 136.87 2hgm h PRO 138 Ca -0.48 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 2hgm h PRO 138 Cb 1.32 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.03 2hgm h PRO 138 CO 0.49 0.00 -1.08 0.09 -0.21 0.00 0.00 178.00 177.29 2hgm n ASN 139 N -3.47 1.94 0.03 -2.05 3.02 -1.26 -4.94 115.26 108.53 2hgm n ASN 139 Ca 0.04 -2.24 0.22 0.00 -0.03 0.00 0.00 54.58 52.57 2hgm n ASN 139 Cb 0.50 -0.45 0.72 0.00 -0.61 0.00 0.00 39.78 39.93 2hgm n ASN 139 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2hgm h GLY 140 N 2.47 0.00 -4.63 7.41 0.00 -0.96 -3.43 103.07 103.93 2hgm h GLY 140 Ca -0.08 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.70 2hgm h GLY 140 CO 0.24 0.00 0.19 -0.42 0.00 0.00 0.00 176.54 176.55 2hgm s ILE 141 N -4.66 4.83 -0.07 2.60 1.01 -1.26 -0.51 121.20 123.14 2hgm s ILE 141 Ca -0.04 1.68 0.03 0.00 0.00 0.00 0.00 60.65 62.32 2hgm s ILE 141 Cb 0.16 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2hgm s ILE 141 CO 0.58 0.29 -0.16 -0.89 0.00 0.00 0.00 174.94 174.76 2hgm s THR 142 N 0.38 1.41 -0.52 2.92 2.01 0.77 -4.95 115.64 117.66 2hgm s THR 142 Ca 0.41 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2hgm s THR 142 Cb -0.20 -1.24 0.15 0.00 0.01 0.00 0.00 72.50 71.22 2hgm s THR 142 CO 0.23 0.41 0.34 -0.76 -0.69 0.00 0.00 174.62 174.15 2hgm s LEU 143 N 0.41 3.19 -0.01 4.42 2.01 -1.26 -0.65 118.68 126.79 2hgm s LEU 143 Ca -0.12 -3.12 -0.00 0.00 0.01 0.00 0.00 54.13 50.90 2hgm s LEU 143 Cb -0.15 -1.14 -0.00 0.00 0.01 0.00 0.00 46.19 44.91 2hgm s LEU 143 CO 0.04 -0.19 -0.01 1.55 1.01 0.00 0.00 176.35 178.76 2hgm h PRO 144 N 6.09 0.00 -2.44 1.29 0.13 -1.89 -3.49 132.00 131.70 2hgm h PRO 144 Ca 0.09 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.36 2hgm h PRO 144 Cb 0.87 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 2hgm h PRO 144 CO 0.55 0.00 0.44 0.14 -0.23 0.00 0.00 178.00 178.90 2hgm s VAL 145 N -1.04 0.00 0.89 1.56 -7.23 -1.26 -4.69 120.40 108.63 2hgm s VAL 145 Ca -0.00 -0.56 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 2hgm s VAL 145 Cb 0.00 -1.77 0.14 0.00 0.56 0.00 0.00 36.38 35.31 2hgm s VAL 145 CO 0.01 0.00 1.23 1.51 -0.31 0.00 0.00 175.10 177.53 2hgm s ASP 146 N -2.85 3.74 0.00 4.85 -4.77 -1.26 -1.65 116.67 114.74 2hgm s ASP 146 Ca 0.10 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 2hgm s ASP 146 Cb -0.02 -0.93 0.00 0.00 -1.09 0.00 0.00 42.92 40.88 2hgm s ASP 146 CO 0.00 -2.37 0.63 -2.65 0.70 0.00 0.00 175.17 171.48 2hgm n PRO 147 N -3.59 0.00 0.00 2.11 -0.02 -1.26 -2.85 135.00 129.39 2hgm n PRO 147 Ca 0.11 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2hgm n PRO 147 Cb 0.60 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2hgm n PRO 147 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hgm n GLU 148 N -1.13 2.97 0.00 -0.52 2.13 -1.26 -5.09 120.64 117.75 2hgm n GLU 148 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgm n GLU 148 Cb 0.04 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 30.78 2hgm n GLU 148 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgm n GLY 149 N 2.93 0.99 0.00 8.31 0.00 -1.13 -5.04 105.19 111.24 2hgm n GLY 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgm n GLY 149 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgm n LYS 150 N 0.00 0.72 0.00 1.61 -0.00 -1.26 -4.95 118.16 114.28 2hgm n LYS 150 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2hgm n LYS 150 Cb 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 35.03 34.45 2hgm n LYS 150 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2hgm n ILE 151 N -0.15 0.00 0.00 0.58 0.00 -1.26 -5.00 119.36 113.53 2hgm n ILE 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 2hgm n ILE 151 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.73 2hgm n ILE 151 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2hgm n THR 152 N 0.00 0.00 0.12 9.51 -2.24 -1.26 -4.15 114.28 116.26 2hgm n THR 152 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2hgm n THR 152 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 2hgm n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgm n GLY 153 N 0.00 0.66 3.38 3.38 0.00 -1.22 -4.63 105.19 106.77 2hgm n GLY 153 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2hgm n GLY 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hgm s GLU 154 N -0.73 1.43 0.14 1.61 -1.05 -0.66 -0.49 118.70 118.96 2hgm s GLU 154 Ca 0.10 -1.70 -0.24 0.00 -0.15 0.00 0.00 54.97 52.99 2hgm s GLU 154 Cb 0.06 -1.01 0.08 0.00 -0.44 0.00 0.00 34.13 32.82 2hgm s GLU 154 CO 0.09 0.05 1.08 0.00 0.95 0.00 0.00 175.26 177.43 2hgm s ALA 155 N -3.10 -1.76 0.12 -0.84 0.00 -1.14 -4.05 121.76 110.99 2hgm s ALA 155 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2hgm s ALA 155 Cb 0.03 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2hgm s ALA 155 CO 0.09 -1.08 0.31 -0.06 0.00 0.00 0.00 175.76 175.02 2hgm s PHE 156 N -2.20 -0.00 -0.26 0.00 0.40 0.18 -0.07 117.98 116.03 2hgm s PHE 156 Ca 0.23 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 2hgm s PHE 156 Cb -0.02 0.10 0.11 0.00 0.51 0.00 0.00 43.02 43.72 2hgm s PHE 156 CO 0.04 -0.64 0.57 0.54 0.70 0.00 0.00 175.22 176.42 2hgm s VAL 157 N -3.84 -0.72 -0.21 -0.44 0.11 -0.20 -0.16 120.40 114.93 2hgm s VAL 157 Ca 0.05 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.99 2hgm s VAL 157 Cb 0.03 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2hgm s VAL 157 CO -0.10 0.02 0.48 -1.58 -3.33 0.00 0.00 175.10 170.59 2hgm s GLN 158 N 2.58 4.16 0.31 1.54 2.00 0.33 -0.42 119.66 130.17 2hgm s GLN 158 Ca -0.05 0.33 -0.03 0.00 -2.00 0.00 0.00 55.36 53.61 2hgm s GLN 158 Cb -0.11 -3.57 0.07 0.00 0.80 0.00 0.00 33.01 30.20 2hgm s GLN 158 CO -0.17 -0.14 0.43 1.19 -0.50 0.00 0.00 175.29 176.09 2hgm n PHE 159 N 4.80 -3.56 0.96 1.67 3.01 -0.00 -2.88 117.46 121.46 2hgm n PHE 159 Ca -0.06 -0.56 0.12 0.00 1.01 0.00 0.00 57.45 57.96 2hgm n PHE 159 Cb 0.51 -0.32 0.56 0.00 -0.01 0.00 0.00 39.48 40.22 2hgm n PHE 159 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgm n ALA 160 N -3.12 2.18 -3.48 4.37 0.00 -0.62 -3.72 120.51 116.12 2hgm n ALA 160 Ca -0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2hgm n ALA 160 Cb 0.22 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 2hgm n ALA 160 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hgm s SER 161 N -2.87 -0.52 0.49 0.00 0.01 -1.25 -5.00 113.70 104.56 2hgm s SER 161 Ca 0.16 -0.08 0.18 0.00 1.31 0.00 0.00 55.95 57.51 2hgm s SER 161 Cb 0.16 0.60 1.22 0.00 0.21 0.00 0.00 66.02 68.22 2hgm s SER 161 CO 0.43 -1.00 2.05 -0.61 0.41 0.00 0.00 173.24 174.52 2hgm h GLN 162 N 2.00 0.14 0.14 12.44 5.75 -1.75 -2.97 115.11 130.87 2hgm h GLN 162 Ca -0.32 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 57.89 2hgm h GLN 162 Cb 1.30 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.82 2hgm h GLN 162 CO 0.36 0.10 -1.41 1.49 -2.65 0.00 0.00 178.83 176.71 2hgm h GLU 163 N 0.15 0.30 -0.79 1.69 4.81 -1.94 -3.27 114.58 115.52 2hgm h GLU 163 Ca 0.16 -0.52 0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2hgm h GLU 163 Cb 0.45 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 2hgm h GLU 163 CO -0.02 1.25 0.52 -0.07 -0.73 0.00 0.00 179.01 179.96 2hgm h LEU 164 N -0.20 0.51 -0.01 1.64 3.38 -1.94 0.53 115.31 119.23 2hgm h LEU 164 Ca -0.29 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2hgm h LEU 164 Cb 1.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2hgm h LEU 164 CO 0.11 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2hgm n ALA 165 N -2.48 1.68 0.12 1.53 0.00 -1.13 -2.22 120.51 118.01 2hgm n ALA 165 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2hgm n ALA 165 Cb 0.47 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2hgm n ALA 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hgm n GLU 166 N -1.51 3.53 -0.31 0.00 1.02 0.06 -3.01 120.64 120.42 2hgm n GLU 166 Ca 0.04 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2hgm n GLU 166 Cb 0.17 -0.85 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 2hgm n GLU 166 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2hgm h LYS 167 N 0.00 1.20 -0.42 3.49 1.79 -1.14 -3.28 116.57 118.21 2hgm h LYS 167 Ca 0.00 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.16 2hgm h LYS 167 Cb 0.14 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2hgm h LYS 167 CO 0.00 0.92 -0.28 0.00 -1.08 0.00 0.00 179.45 179.01 2hgm h ALA 168 N 1.22 0.60 -0.66 3.86 0.00 -1.54 -2.19 119.26 120.55 2hgm h ALA 168 Ca 0.29 -0.41 0.19 0.00 0.00 0.00 0.00 54.91 54.98 2hgm h ALA 168 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2hgm h ALA 168 CO -0.04 0.63 0.62 -0.07 0.00 0.00 0.00 179.25 180.39 2hgm h LEU 169 N 0.77 0.00 -2.82 0.00 4.07 -1.63 0.63 115.31 116.33 2hgm h LEU 169 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2hgm h LEU 169 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2hgm h LEU 169 CO 0.08 0.00 0.00 1.23 -1.08 0.00 0.00 178.44 178.67 2hgm h GLY 170 N 0.00 0.00 -3.48 0.83 0.00 -1.44 -2.67 103.07 96.30 2hgm h GLY 170 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 2hgm h GLY 170 CO -0.00 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.80 2hgm n LYS 171 N -3.05 0.79 -0.17 4.80 4.76 0.21 -4.74 118.16 120.76 2hgm n LYS 171 Ca -0.03 -0.11 0.27 0.00 -2.87 0.00 0.00 58.31 55.58 2hgm n LYS 171 Cb 0.09 -1.27 0.70 0.00 -1.84 0.00 0.00 35.03 32.71 2hgm n LYS 171 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2hgm h HIS 172 N 2.29 0.05 -2.23 2.13 2.76 -1.70 -3.33 115.15 115.12 2hgm h HIS 172 Ca 0.02 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.92 2hgm h HIS 172 Cb 0.74 -0.02 -0.33 0.00 1.55 0.00 0.00 27.41 29.35 2hgm h HIS 172 CO 0.52 0.01 -0.58 0.21 -1.30 0.00 0.00 177.93 176.78 2hgm s LYS 173 N -5.02 0.27 0.00 5.26 2.47 -1.26 -4.44 119.74 117.02 2hgm s LYS 173 Ca -0.05 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 2hgm s LYS 173 Cb 0.22 -0.84 0.00 0.00 -1.46 0.00 0.00 37.83 35.74 2hgm s LYS 173 CO 0.77 -0.75 0.00 0.39 0.16 0.00 0.00 175.35 175.92 2hgm n GLU 174 N 5.33 0.44 -3.94 4.03 1.02 -1.23 -4.98 120.64 121.31 2hgm n GLU 174 Ca -0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.00 2hgm n GLU 174 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.80 2hgm n GLU 174 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2hgm s ARG 175 N 0.64 0.28 -0.05 3.49 3.52 -1.26 -0.99 118.95 124.57 2hgm s ARG 175 Ca 0.00 -0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2hgm s ARG 175 Cb 0.00 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2hgm s ARG 175 CO 0.00 -0.05 0.12 0.42 -0.81 0.00 0.00 175.30 174.98 2hgm s ILE 176 N -1.16 -0.04 0.00 4.11 1.01 -0.37 -4.83 121.20 119.91 2hgm s ILE 176 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2hgm s ILE 176 Cb -0.08 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.19 2hgm s ILE 176 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2hgm n GLY 177 N 3.89 -0.38 0.00 6.18 0.00 -1.26 -0.81 105.19 112.80 2hgm n GLY 177 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2hgm n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgm n HIS 178 N 0.00 0.00 -3.61 1.61 8.25 -1.26 -5.14 115.22 115.08 2hgm n HIS 178 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2hgm n HIS 178 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2hgm n HIS 178 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2hgm n ARG 179 N 0.00 1.03 -3.57 -0.41 3.00 0.01 -5.08 116.66 111.64 2hgm n ARG 179 Ca 0.00 -1.76 -0.11 0.00 -0.01 0.00 0.00 57.85 55.97 2hgm n ARG 179 Cb 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 32.46 32.51 2hgm n ARG 179 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2hgm s TYR 180 N -1.34 -0.64 -0.04 -1.55 2.02 -1.26 -1.24 117.35 113.31 2hgm s TYR 180 Ca 0.18 1.07 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 2hgm s TYR 180 Cb -0.01 0.07 -0.00 0.00 -0.40 0.00 0.00 41.96 41.61 2hgm s TYR 180 CO 0.12 -0.51 -0.16 0.42 -1.57 0.00 0.00 175.55 173.85 2hgm s ILE 181 N 2.51 1.32 0.65 2.71 1.01 -0.16 -4.64 121.20 124.60 2hgm s ILE 181 Ca 0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 2hgm s ILE 181 Cb -0.13 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2hgm s ILE 181 CO -0.12 0.38 1.05 -1.61 0.00 0.00 0.00 174.94 174.64 2hgm s GLU 182 N 0.02 3.23 -0.02 2.79 8.01 0.63 -3.55 118.70 129.81 2hgm s GLU 182 Ca -0.03 0.91 -0.01 0.00 0.01 0.00 0.00 54.97 55.85 2hgm s GLU 182 Cb -0.11 -2.03 0.01 0.00 -4.31 0.00 0.00 34.13 27.70 2hgm s GLU 182 CO 0.02 -0.86 0.04 0.14 0.01 0.00 0.00 175.26 174.61 2hgm s VAL 183 N -3.02 -0.01 0.02 2.63 -7.23 -1.26 -3.18 120.40 108.35 2hgm s VAL 183 Ca 0.58 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.81 2hgm s VAL 183 Cb -0.13 -0.08 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 2hgm s VAL 183 CO 0.52 0.02 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.93 2hgm s PHE 184 N 0.30 0.35 0.37 2.82 0.08 -0.19 -4.98 117.98 116.73 2hgm s PHE 184 Ca -0.02 -0.37 -0.26 0.00 0.12 0.00 0.00 56.93 56.40 2hgm s PHE 184 Cb -0.03 -0.23 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 2hgm s PHE 184 CO -0.01 -0.10 1.17 0.21 -0.10 0.00 0.00 175.22 176.39 2hgm s LYS 185 N -1.05 4.21 0.15 0.44 2.47 -1.26 -0.67 119.74 124.02 2hgm s LYS 185 Ca -0.09 1.87 -0.16 0.00 -1.56 0.00 0.00 55.97 56.03 2hgm s LYS 185 Cb -0.07 -2.82 0.03 0.00 -1.46 0.00 0.00 37.83 33.51 2hgm s LYS 185 CO -0.00 -0.20 0.43 -1.12 0.16 0.00 0.00 175.35 174.62 2hgm s SER 186 N -1.01 -0.22 0.06 1.43 0.01 -0.70 -4.74 113.70 108.53 2hgm s SER 186 Ca 0.54 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 2hgm s SER 186 Cb -0.32 0.50 -0.00 0.00 0.21 0.00 0.00 66.02 66.41 2hgm s SER 186 CO 0.41 -0.92 0.17 -0.44 0.41 0.00 0.00 173.24 172.87 2hgm s SER 187 N -2.84 0.11 0.00 2.44 0.01 -1.26 -1.69 113.70 110.47 2hgm s SER 187 Ca 0.06 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2hgm s SER 187 Cb 0.01 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2hgm s SER 187 CO -0.08 -0.63 0.02 1.67 0.41 0.00 0.00 173.24 174.63 2hgm n GLN 188 N 0.33 0.00 0.00 12.44 -0.06 -1.26 -1.09 117.38 127.74 2hgm n GLN 188 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 2hgm n GLN 188 Cb 0.61 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.28 2hgm n GLN 188 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 2hgm n GLU 189 N -0.52 3.18 -0.01 3.69 0.00 -1.26 -4.36 120.64 121.35 2hgm n GLU 189 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 2hgm n GLU 189 Cb 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 31.44 30.75 2hgm n GLU 189 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hgm n GLU 190 N -0.68 0.63 0.18 3.44 0.00 -0.25 -3.96 120.64 120.00 2hgm n GLU 190 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 57.16 57.48 2hgm n GLU 190 Cb 0.00 -1.79 0.29 0.00 0.00 0.00 0.00 31.44 29.94 2hgm n GLU 190 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2hgm h VAL 191 N 0.00 0.91 0.00 6.31 -1.51 -1.72 -3.39 116.25 116.85 2hgm h VAL 191 Ca -0.27 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 2hgm h VAL 191 Cb 1.93 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 33.10 2hgm h VAL 191 CO 0.07 0.40 0.00 -1.14 -1.23 0.00 0.00 177.57 175.67 2hgm n ARG 192 N -3.50 0.67 0.00 5.19 3.00 -1.25 -3.83 116.66 116.93 2hgm n ARG 192 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2hgm n ARG 192 Cb 0.55 -1.19 0.08 0.00 0.00 0.00 0.00 32.46 31.90 2hgm n ARG 192 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2hgm n SER 193 N 0.59 0.00 0.00 6.15 7.64 -1.26 -5.07 113.62 121.67 2hgm n SER 193 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2hgm n SER 193 Cb 0.31 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2hgm n SER 193 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03