#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whr n SER 127 N 0.00 -2.17 0.13 1.61 3.41 -1.26 -4.90 113.62 110.44 1whr n SER 127 Ca 0.00 0.76 -0.09 0.00 -0.26 0.00 0.00 58.87 59.28 1whr n SER 127 Cb 0.00 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.13 1whr n SER 127 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1whr h SER 128 N 0.40 -0.35 -0.37 4.04 0.87 -2.10 -3.49 113.55 112.55 1whr h SER 128 Ca -0.30 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1whr h SER 128 Cb 1.24 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1whr h SER 128 CO 0.42 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.46 1whr n GLY 129 N 0.54 4.87 2.87 5.77 0.00 -1.26 -5.00 105.19 112.98 1whr n GLY 129 Ca -0.07 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.32 1whr n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whr s SER 130 N 0.65 0.87 0.21 1.61 0.15 -1.26 -5.14 113.70 110.79 1whr s SER 130 Ca 0.00 -0.11 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 1whr s SER 130 Cb 0.00 -0.40 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 1whr s SER 130 CO 0.00 -0.07 0.63 -0.44 1.20 0.00 0.00 173.24 174.56 1whr s SER 131 N 0.99 -0.42 -0.18 5.45 0.01 -1.26 -5.00 113.70 113.29 1whr s SER 131 Ca -0.10 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1whr s SER 131 Cb -0.14 0.64 0.07 0.00 0.21 0.00 0.00 66.02 66.80 1whr s SER 131 CO -0.01 -1.12 0.86 0.61 0.41 0.00 0.00 173.24 174.00 1whr n GLY 132 N -0.40 -0.59 4.04 3.44 0.00 -1.26 -4.98 105.19 105.44 1whr n GLY 132 Ca -0.12 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1whr n GLY 132 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1whr n THR 133 N -0.38 -0.23 -3.93 2.61 5.66 -1.26 -4.84 114.28 111.91 1whr n THR 133 Ca -0.15 -0.11 -0.08 0.00 -3.05 0.00 0.00 64.05 60.66 1whr n THR 133 Cb 0.60 -0.53 -0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1whr n THR 133 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1whr s ASP 134 N -3.23 -0.17 -0.25 1.09 2.15 -1.26 -5.18 116.67 109.82 1whr s ASP 134 Ca 0.51 -0.78 -0.18 0.00 0.43 0.00 0.00 52.55 52.53 1whr s ASP 134 Cb -0.30 0.66 0.07 0.00 -0.30 0.00 0.00 42.92 43.05 1whr s ASP 134 CO 0.85 -1.25 0.63 -0.44 -0.17 0.00 0.00 175.17 174.80 1whr s SER 135 N -2.97 -0.77 -0.35 -0.34 0.01 -1.26 -5.07 113.70 102.95 1whr s SER 135 Ca 0.17 1.34 -0.16 0.00 1.31 0.00 0.00 55.95 58.62 1whr s SER 135 Cb -0.03 1.28 -0.01 0.00 0.21 0.00 0.00 66.02 67.47 1whr s SER 135 CO 0.08 -0.23 0.38 0.42 0.41 0.00 0.00 173.24 174.30 1whr s THR 136 N 1.05 5.15 0.00 1.44 -4.23 -1.26 -4.78 115.64 113.01 1whr s THR 136 Ca -0.06 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 1whr s THR 136 Cb -0.05 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1whr s THR 136 CO -0.10 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1whr n GLY 137 N 4.96 0.46 3.79 3.99 0.00 -1.26 -4.80 105.19 112.32 1whr n GLY 137 Ca -0.09 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1whr n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whr s ILE 138 N 0.00 4.83 -1.37 -0.61 1.09 -1.26 -4.23 121.20 119.66 1whr s ILE 138 Ca 0.00 1.21 -0.09 0.00 -1.10 0.00 0.00 60.65 60.67 1whr s ILE 138 Cb 0.00 -3.91 0.09 0.00 -1.06 0.00 0.00 42.46 37.59 1whr s ILE 138 CO 0.00 0.49 0.23 -0.67 -0.10 0.00 0.00 174.94 174.89 1whr n ASP 139 N 2.20 -0.30 0.40 3.58 2.03 -1.26 -4.80 116.55 118.40 1whr n ASP 139 Ca -0.09 -1.01 -0.19 0.00 0.52 0.00 0.00 54.79 54.03 1whr n ASP 139 Cb 0.51 -1.27 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 1whr n ASP 139 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1whr h LEU 140 N -0.97 -0.87 -0.99 -2.67 3.38 -2.01 -2.69 115.31 108.49 1whr h LEU 140 Ca -0.50 0.03 0.39 0.00 0.09 0.00 0.00 57.88 57.89 1whr h LEU 140 Cb 1.11 0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.91 1whr h LEU 140 CO 0.64 -0.61 0.44 1.57 0.09 0.00 0.00 178.44 180.56 1whr n HIS 141 N -5.53 1.06 -0.12 1.13 -0.00 -1.26 0.73 115.22 111.22 1whr n HIS 141 Ca -0.14 1.18 -0.04 0.00 0.46 0.00 0.00 57.72 59.17 1whr n HIS 141 Cb 0.41 -1.51 0.02 0.00 -0.12 0.00 0.00 29.99 28.79 1whr n HIS 141 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1whr h GLU 142 N 0.00 0.04 0.08 1.57 4.57 -1.84 -0.02 114.58 118.98 1whr h GLU 142 Ca 0.80 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.97 1whr h GLU 142 Cb 2.04 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 1whr h GLU 142 CO -0.80 0.03 -0.04 0.35 -1.18 0.00 0.00 179.01 177.37 1whr h PHE 143 N 0.04 -0.10 -0.61 0.92 3.04 0.26 -1.85 116.94 118.65 1whr h PHE 143 Ca 0.20 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.27 1whr h PHE 143 Cb 0.30 0.03 -0.11 0.00 2.56 0.00 0.00 35.95 38.73 1whr h PHE 143 CO -0.33 0.22 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.01 1whr h LEU 144 N -0.42 -0.48 0.08 0.59 3.38 -0.96 -1.49 115.31 116.00 1whr h LEU 144 Ca -0.01 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1whr h LEU 144 Cb 0.36 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1whr h LEU 144 CO 0.02 -0.18 -0.04 0.58 0.09 0.00 0.00 178.44 178.91 1whr h VAL 145 N 0.03 1.01 -0.79 1.22 2.07 -0.99 -1.77 116.25 117.03 1whr h VAL 145 Ca 0.30 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1whr h VAL 145 Cb 0.47 1.20 -0.13 0.00 -1.52 0.00 0.00 31.29 31.31 1whr h VAL 145 CO -0.60 0.07 -0.39 -1.13 0.02 0.00 0.00 177.57 175.55 1whr h ASN 146 N -0.24 -1.40 -0.61 0.57 -0.73 -0.41 0.18 115.58 112.94 1whr h ASN 146 Ca -0.01 0.27 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 1whr h ASN 146 Cb 0.20 0.69 -0.03 0.00 0.27 0.00 0.00 38.32 39.46 1whr h ASN 146 CO 0.02 -0.30 0.22 0.74 -0.37 0.00 0.00 177.43 177.74 1whr h THR 147 N -0.09 1.24 -0.92 -3.57 2.02 -1.33 0.11 112.91 110.36 1whr h THR 147 Ca 0.27 -0.76 0.22 0.00 0.77 0.00 0.00 66.41 66.91 1whr h THR 147 Cb 0.57 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1whr h THR 147 CO -0.83 0.29 0.62 -0.07 0.37 0.00 0.00 175.52 175.90 1whr h LEU 148 N 0.86 0.34 0.00 2.58 3.38 0.22 0.50 115.31 123.18 1whr h LEU 148 Ca 0.20 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1whr h LEU 148 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1whr h LEU 148 CO -0.01 0.12 -0.92 0.11 0.09 0.00 0.00 178.44 177.83 1whr h LYS 149 N 0.33 0.00 -0.00 1.13 1.57 -0.78 -3.29 116.57 115.53 1whr h LYS 149 Ca 0.48 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1whr h LYS 149 Cb 1.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 1whr h LYS 149 CO -0.16 0.61 -0.31 0.87 -0.57 0.00 0.00 179.45 179.89 1whr h LYS 150 N -1.00 -0.44 -3.25 3.15 1.79 -0.49 -3.30 116.57 113.02 1whr h LYS 150 Ca -0.21 0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.64 1whr h LYS 150 Cb 0.97 0.10 -0.39 0.00 -1.58 0.00 0.00 32.23 31.34 1whr h LYS 150 CO -0.12 -0.30 -0.40 -0.80 -1.08 0.00 0.00 179.45 176.75 1whr s ASN 151 N -4.85 5.19 0.00 0.86 0.01 0.17 -4.90 114.94 111.42 1whr s ASN 151 Ca -0.16 -3.59 0.14 0.00 -0.71 0.00 0.00 52.86 48.54 1whr s ASN 151 Cb 0.09 -1.75 0.62 0.00 0.41 0.00 0.00 41.25 40.62 1whr s ASN 151 CO 0.65 -0.17 1.45 -0.81 -1.51 0.00 0.00 177.10 176.71 1whr n PRO 152 N 2.41 0.02 0.05 -0.60 -0.04 -1.24 -2.48 135.00 133.12 1whr n PRO 152 Ca 0.17 0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1whr n PRO 152 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 1whr n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whr h ARG 153 N 0.00 0.09 0.00 0.54 -0.00 -1.90 -3.24 114.38 109.87 1whr h ARG 153 Ca 0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1whr h ARG 153 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1whr h ARG 153 CO 0.00 0.95 0.00 -3.47 0.00 0.00 0.00 179.97 177.45 1whr n ASP 154 N -3.34 0.42 -0.30 7.04 -0.08 -1.03 -3.18 116.55 116.07 1whr n ASP 154 Ca -0.08 0.64 0.10 0.00 -1.51 0.00 0.00 54.79 53.94 1whr n ASP 154 Cb 1.00 -0.71 0.23 0.00 2.34 0.00 0.00 41.12 43.98 1whr n ASP 154 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1whr h ARG 155 N 0.00 0.08 -0.76 -0.67 3.08 -1.70 0.52 114.38 114.93 1whr h ARG 155 Ca 0.00 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1whr h ARG 155 Cb 0.18 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1whr h ARG 155 CO 0.00 0.05 0.36 0.00 -1.07 0.00 0.00 179.97 179.31 1whr h MET 156 N 0.08 0.54 0.23 0.04 -0.00 -1.83 0.36 114.93 114.35 1whr h MET 156 Ca 0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 60.17 1whr h MET 156 Cb 1.00 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 1whr h MET 156 CO -0.78 0.36 -0.11 1.98 -0.00 0.00 0.00 176.91 178.35 1whr h MET 157 N 0.56 -0.30 -0.49 -0.10 1.85 -0.25 -1.19 114.93 115.01 1whr h MET 157 Ca 0.40 0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.60 1whr h MET 157 Cb 0.51 0.07 -0.10 0.00 0.43 0.00 0.00 31.60 32.51 1whr h MET 157 CO -0.33 -0.20 -0.28 -0.07 -0.40 0.00 0.00 176.91 175.63 1whr h LEU 158 N -0.43 -0.96 0.06 3.39 3.38 -1.19 -0.91 115.31 118.65 1whr h LEU 158 Ca -0.03 0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1whr h LEU 158 Cb 0.24 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1whr h LEU 158 CO 0.05 -0.29 -0.35 -0.07 0.09 0.00 0.00 178.44 177.88 1whr h LEU 159 N -0.17 -1.04 -0.12 1.67 3.38 -0.37 -1.69 115.31 116.97 1whr h LEU 159 Ca 0.22 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1whr h LEU 159 Cb 0.52 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1whr h LEU 159 CO -0.59 -0.42 -0.39 0.50 0.09 0.00 0.00 178.44 177.63 1whr h LYS 160 N -0.54 -0.39 -0.76 1.13 1.63 -0.35 -1.09 116.57 116.19 1whr h LYS 160 Ca 0.04 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.00 1whr h LYS 160 Cb 0.60 0.09 -0.14 0.00 -0.60 0.00 0.00 32.23 32.18 1whr h LYS 160 CO -0.25 -0.26 -0.33 -0.07 -3.45 0.00 0.00 179.45 175.10 1whr h LEU 161 N -0.40 -1.18 -0.98 5.20 3.38 -1.03 0.50 115.31 120.80 1whr h LEU 161 Ca 0.03 0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.42 1whr h LEU 161 Cb 0.48 0.62 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1whr h LEU 161 CO -0.33 -0.29 0.59 -0.08 0.09 0.00 0.00 178.44 178.41 1whr h GLU 162 N -0.08 0.77 0.07 1.13 4.57 -0.57 -1.06 114.58 119.42 1whr h GLU 162 Ca 0.30 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1whr h GLU 162 Cb 0.58 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1whr h GLU 162 CO -0.81 0.51 -0.03 0.37 -1.18 0.00 0.00 179.01 177.87 1whr h GLN 163 N 0.80 -0.09 -0.77 1.92 -0.00 0.12 -1.76 115.11 115.33 1whr h GLN 163 Ca 0.54 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 59.26 1whr h GLN 163 Cb 0.76 0.02 -0.06 0.00 0.00 0.00 0.00 27.48 28.20 1whr h GLN 163 CO -0.35 0.03 0.45 0.93 0.00 0.00 0.00 178.83 179.88 1whr h GLU 164 N -0.19 0.79 -0.22 1.69 4.39 -0.29 -2.27 114.58 118.48 1whr h GLU 164 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1whr h GLU 164 Cb 0.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1whr h GLU 164 CO 0.02 0.52 0.15 0.82 -1.16 0.00 0.00 179.01 179.35 1whr h ILE 165 N 0.81 1.06 0.01 3.13 2.04 -1.03 -1.22 117.51 122.31 1whr h ILE 165 Ca 0.34 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1whr h ILE 165 Cb 0.21 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1whr h ILE 165 CO -0.19 0.06 -0.32 -0.07 0.00 0.00 0.00 178.15 177.63 1whr h LEU 166 N 0.30 -0.95 -0.53 1.44 3.38 -0.78 -0.77 115.31 117.40 1whr h LEU 166 Ca 0.08 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1whr h LEU 166 Cb -0.03 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1whr h LEU 166 CO -0.02 -0.38 0.25 -0.33 0.09 0.00 0.00 178.44 178.04 1whr h GLU 167 N -0.48 0.46 -0.34 1.13 5.08 -1.32 -2.11 114.58 117.00 1whr h GLU 167 Ca 0.06 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1whr h GLU 167 Cb 0.56 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1whr h GLU 167 CO -0.26 0.30 -0.05 0.35 -1.00 0.00 0.00 179.01 178.35 1whr h PHE 168 N 0.47 -0.11 -0.68 4.33 3.57 -0.61 -1.75 116.94 122.16 1whr h PHE 168 Ca 0.25 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.83 1whr h PHE 168 Cb 0.20 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1whr h PHE 168 CO -0.12 -0.11 0.38 0.82 -2.23 0.00 0.00 178.31 177.05 1whr h ILE 169 N 0.04 0.98 -0.17 1.41 2.04 -0.64 -2.61 117.51 118.56 1whr h ILE 169 Ca 0.16 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1whr h ILE 169 Cb 0.24 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1whr h ILE 169 CO -0.32 0.13 -0.18 -1.13 0.00 0.00 0.00 178.15 176.65 1whr h ASN 170 N 0.71 -0.56 -2.55 1.72 -1.24 -0.69 -3.40 115.58 109.57 1whr h ASN 170 Ca 0.30 0.10 -0.53 0.00 0.71 0.00 0.00 56.30 56.88 1whr h ASN 170 Cb 0.17 0.27 0.02 0.00 0.73 0.00 0.00 38.32 39.51 1whr h ASN 170 CO -0.18 -0.22 1.11 -0.62 -1.29 0.00 0.00 177.43 176.23 1whr s ASP 171 N -5.05 6.52 -0.09 1.15 -1.08 -0.90 -4.89 116.67 112.33 1whr s ASP 171 Ca -0.14 2.57 -0.03 0.00 -0.52 0.00 0.00 52.55 54.43 1whr s ASP 171 Cb 0.11 -2.55 -0.26 0.00 -1.46 0.00 0.00 42.92 38.76 1whr s ASP 171 CO 0.68 -0.97 0.48 -0.55 0.52 0.00 0.00 175.17 175.33 1whr h ASN 172 N 9.21 0.35 -1.16 -0.34 -1.07 -1.83 -3.36 115.58 117.39 1whr h ASN 172 Ca -0.45 -0.75 0.37 0.00 0.07 0.00 0.00 56.30 55.54 1whr h ASN 172 Cb 1.21 -0.12 -0.13 0.00 -2.07 0.00 0.00 38.32 37.22 1whr h ASN 172 CO 0.94 1.67 0.72 -1.13 0.07 0.00 0.00 177.43 179.70 1whr h ASN 173 N 0.06 0.36 -2.93 6.14 -0.73 -1.95 -3.39 115.58 113.14 1whr h ASN 173 Ca -0.38 0.14 -0.51 0.00 1.87 0.00 0.00 56.30 57.42 1whr h ASN 173 Cb 2.04 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 40.73 1whr h ASN 173 CO 0.10 -0.12 -0.24 0.20 -0.37 0.00 0.00 177.43 177.00 1whr s ASN 174 N -4.77 6.38 0.00 1.15 0.01 -1.26 -5.01 114.94 111.44 1whr s ASN 174 Ca -0.09 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1whr s ASN 174 Cb 0.29 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.90 1whr s ASN 174 CO 0.81 -0.16 0.00 0.00 -1.51 0.00 0.00 177.10 176.24 1whr n GLN 175 N -1.05 0.63 -4.39 -0.60 10.64 -1.26 -4.97 117.38 116.37 1whr n GLN 175 Ca -0.04 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.89 1whr n GLN 175 Cb 0.54 -0.77 -0.09 0.00 -0.86 0.00 0.00 30.24 29.06 1whr n GLN 175 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1whr s PHE 176 N -1.54 2.46 -0.02 2.61 0.08 -1.26 -3.17 117.98 117.13 1whr s PHE 176 Ca 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1whr s PHE 176 Cb 0.00 -1.10 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1whr s PHE 176 CO 0.00 0.65 0.01 0.21 -0.10 0.00 0.00 175.22 175.99 1whr s LYS 177 N -3.43 0.09 -0.25 0.44 2.20 -0.60 -5.00 119.74 113.20 1whr s LYS 177 Ca 0.29 0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1whr s LYS 177 Cb -0.06 -0.29 0.01 0.00 -1.51 0.00 0.00 37.83 35.98 1whr s LYS 177 CO 0.16 -0.12 -0.02 0.21 -0.36 0.00 0.00 175.35 175.22 1whr s LYS 178 N 0.84 3.11 0.42 4.03 2.20 -1.26 -0.63 119.74 128.44 1whr s LYS 178 Ca -0.08 -0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 54.53 1whr s LYS 178 Cb -0.11 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 1whr s LYS 178 CO -0.02 -0.33 0.92 -0.06 -0.36 0.00 0.00 175.35 175.49 1whr s PHE 179 N 1.43 3.34 0.80 4.03 0.40 -1.08 -5.04 117.98 121.86 1whr s PHE 179 Ca 0.03 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 1whr s PHE 179 Cb -0.16 -2.78 0.07 0.00 0.51 0.00 0.00 43.02 40.66 1whr s PHE 179 CO -0.02 -0.11 1.09 -1.25 0.70 0.00 0.00 175.22 175.62 1whr s PRO 180 N -3.29 2.05 -0.47 0.24 0.04 -1.26 -4.50 135.00 127.81 1whr s PRO 180 Ca 0.60 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.47 1whr s PRO 180 Cb -0.09 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1whr s PRO 180 CO 0.17 -1.77 2.05 -0.65 0.04 0.00 0.00 177.00 176.84 1whr s GLN 181 N -4.91 2.68 0.51 4.56 -0.21 -1.26 -4.90 119.66 116.12 1whr s GLN 181 Ca 0.62 1.19 0.05 0.00 0.02 0.00 0.00 55.36 57.24 1whr s GLN 181 Cb -0.17 -4.40 0.01 0.00 1.00 0.00 0.00 33.01 29.44 1whr s GLN 181 CO 0.56 -2.64 0.31 0.00 -2.12 0.00 0.00 175.29 171.41 1whr s MET 182 N 7.03 2.27 0.56 2.91 0.23 -1.26 -5.13 119.30 125.91 1whr s MET 182 Ca 0.83 -1.99 -0.15 0.00 -1.03 0.00 0.00 55.69 53.35 1whr s MET 182 Cb -0.18 -2.03 -0.06 0.00 -1.53 0.00 0.00 34.83 31.02 1whr s MET 182 CO 0.27 -0.46 1.01 -0.08 -2.03 0.00 0.00 175.02 173.73 1whr s THR 183 N -2.73 4.48 0.17 3.16 -1.32 -1.26 -4.82 115.64 113.32 1whr s THR 183 Ca 0.33 1.07 -0.28 0.00 -1.21 0.00 0.00 61.69 61.60 1whr s THR 183 Cb -0.01 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.26 1whr s THR 183 CO 0.20 -0.79 1.52 -1.20 -2.21 0.00 0.00 174.62 172.14 1whr n SER 184 N -1.98 -0.97 -0.23 8.08 7.64 -1.26 -1.28 113.62 123.61 1whr n SER 184 Ca 0.07 1.75 -0.06 0.00 1.01 0.00 0.00 58.87 61.64 1whr n SER 184 Cb 0.54 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 1whr n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whr n TYR 185 N -5.27 -0.24 -0.15 1.43 4.19 -1.26 -0.29 117.16 115.56 1whr n TYR 185 Ca 0.03 0.70 -0.04 0.00 3.31 0.00 0.00 57.90 61.90 1whr n TYR 185 Cb 0.28 -0.53 0.03 0.00 0.49 0.00 0.00 39.34 39.61 1whr n TYR 185 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1whr h HIS 186 N 0.00 -0.40 -0.77 2.98 3.86 -1.56 -1.73 115.15 117.53 1whr h HIS 186 Ca 0.09 0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.46 1whr h HIS 186 Cb 0.23 0.25 -0.13 0.00 1.06 0.00 0.00 27.41 28.82 1whr h HIS 186 CO -0.91 -0.26 -0.41 -0.09 0.86 0.00 0.00 177.93 177.12 1whr h ARG 187 N -0.06 -0.10 0.51 2.45 2.43 0.26 -1.12 114.38 118.74 1whr h ARG 187 Ca 0.23 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1whr h ARG 187 Cb 0.41 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1whr h ARG 187 CO -0.53 -0.07 -0.45 1.98 -1.51 0.00 0.00 179.97 179.40 1whr h MET 188 N -0.11 -0.92 -0.99 0.20 4.05 -0.49 -1.64 114.93 115.04 1whr h MET 188 Ca 0.25 0.06 0.26 0.00 -0.28 0.00 0.00 59.70 59.99 1whr h MET 188 Cb 0.56 0.21 -0.19 0.00 -0.80 0.00 0.00 31.60 31.38 1whr h MET 188 CO -0.82 -0.61 -0.03 -0.07 0.23 0.00 0.00 176.91 175.60 1whr h LEU 189 N -0.95 -0.58 0.80 3.39 3.38 -0.71 0.15 115.31 120.79 1whr h LEU 189 Ca -0.06 0.29 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1whr h LEU 189 Cb 0.82 0.52 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1whr h LEU 189 CO -0.03 -0.35 -0.39 0.25 0.09 0.00 0.00 178.44 178.01 1whr h LEU 190 N 0.00 -0.91 -0.86 1.67 5.85 -0.83 -2.41 115.31 117.82 1whr h LEU 190 Ca 0.58 0.02 0.36 0.00 0.84 0.00 0.00 57.88 59.67 1whr h LEU 190 Cb 1.13 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 42.24 1whr h LEU 190 CO -0.95 -0.58 0.45 1.41 -0.34 0.00 0.00 178.44 178.43 1whr n HIS 191 N -5.51 1.00 0.18 1.25 8.25 -0.02 0.04 115.22 120.40 1whr n HIS 191 Ca -0.14 1.02 -0.11 0.00 -0.26 0.00 0.00 57.72 58.23 1whr n HIS 191 Cb 0.43 -1.42 -0.06 0.00 1.12 0.00 0.00 29.99 30.06 1whr n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1whr h ARG 192 N 0.00 -0.49 -0.17 -0.41 2.47 -1.20 -2.18 114.38 112.40 1whr h ARG 192 Ca 0.73 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.53 1whr h ARG 192 Cb 1.92 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 30.28 1whr h ARG 192 CO -0.67 -0.20 -0.38 0.28 0.56 0.00 0.00 179.97 179.56 1whr h VAL 193 N -1.02 0.20 0.14 2.04 2.07 0.12 0.31 116.25 120.10 1whr h VAL 193 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1whr h VAL 193 Cb 0.51 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1whr h VAL 193 CO 0.08 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.26 1whr h ALA 194 N 0.30 -0.75 -0.26 1.67 0.00 -0.96 -0.27 119.26 119.00 1whr h ALA 194 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1whr h ALA 194 Cb 0.59 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1whr h ALA 194 CO -0.40 -0.98 0.22 0.00 0.00 0.00 0.00 179.25 178.08 1whr h ALA 195 N -0.19 2.05 -0.00 0.00 0.00 -1.02 0.11 119.26 120.22 1whr h ALA 195 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1whr h ALA 195 Cb 0.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1whr h ALA 195 CO -0.23 -0.35 -0.71 -0.92 0.00 0.00 0.00 179.25 177.05 1whr h TYR 196 N 0.00 0.03 -0.54 0.00 5.03 0.12 -3.00 116.97 118.61 1whr h TYR 196 Ca 0.12 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 1whr h TYR 196 Cb 0.56 -0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.78 1whr h TYR 196 CO 0.00 0.72 0.13 1.19 -1.32 0.00 0.00 178.16 178.88 1whr n PHE 197 N -3.71 1.86 -3.18 -3.82 3.01 0.20 -4.89 117.46 106.93 1whr n PHE 197 Ca -0.01 -0.83 -0.23 0.00 1.01 0.00 0.00 57.45 57.40 1whr n PHE 197 Cb 0.69 -0.53 0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1whr n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1whr n GLY 198 N 0.17 -0.51 3.79 1.37 0.00 -1.07 -4.27 105.19 104.68 1whr n GLY 198 Ca 0.28 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 1whr n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whr s MET 199 N -5.87 3.92 -0.59 1.61 -1.94 -0.07 -4.20 119.30 112.16 1whr s MET 199 Ca 0.38 -0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 54.21 1whr s MET 199 Cb -0.17 -3.32 0.15 0.00 2.01 0.00 0.00 34.83 33.50 1whr s MET 199 CO 0.48 0.49 0.51 -0.51 -0.01 0.00 0.00 175.02 175.98 1whr s ASP 200 N -0.26 6.12 0.49 3.03 1.01 -1.26 -4.05 116.67 121.76 1whr s ASP 200 Ca 0.15 -2.08 0.04 0.00 0.71 0.00 0.00 52.55 51.37 1whr s ASP 200 Cb -0.13 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.69 1whr s ASP 200 CO 0.04 -0.73 0.69 -1.38 0.21 0.00 0.00 175.17 174.00 1whr s HIS 201 N 1.14 2.88 0.12 4.23 -3.43 -1.26 -3.64 115.29 115.31 1whr s HIS 201 Ca 0.08 -0.13 -0.20 0.00 -0.80 0.00 0.00 55.06 54.01 1whr s HIS 201 Cb -0.24 -2.57 0.05 0.00 -1.43 0.00 0.00 32.58 28.39 1whr s HIS 201 CO -0.01 -0.66 0.50 -0.80 -2.00 0.00 0.00 174.74 171.77 1whr s ASN 202 N -4.38 -0.40 0.27 7.38 -0.87 -0.47 -4.99 114.94 111.47 1whr s ASN 202 Ca 0.55 -0.08 -0.16 0.00 -1.57 0.00 0.00 52.86 51.61 1whr s ASN 202 Cb -0.10 0.52 -0.08 0.00 -0.02 0.00 0.00 41.25 41.57 1whr s ASN 202 CO 0.36 -0.86 0.71 0.68 -2.57 0.00 0.00 177.10 175.42 1whr s VAL 203 N -3.42 4.66 0.85 1.60 -7.23 -1.26 -2.15 120.40 113.45 1whr s VAL 203 Ca 0.00 1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 61.09 1whr s VAL 203 Cb 0.00 -3.71 0.11 0.00 0.56 0.00 0.00 36.38 33.34 1whr s VAL 203 CO -0.10 -0.00 1.18 -0.62 -0.31 0.00 0.00 175.10 175.25 1whr s ASP 204 N -2.01 4.07 0.29 4.85 2.15 -1.20 -4.82 116.67 120.00 1whr s ASP 204 Ca 0.48 0.80 -0.01 0.00 0.43 0.00 0.00 52.55 54.25 1whr s ASP 204 Cb -0.13 -1.28 0.65 0.00 -0.30 0.00 0.00 42.92 41.86 1whr s ASP 204 CO 0.19 -2.18 1.58 -0.61 -0.17 0.00 0.00 175.17 173.97 1whr h GLN 205 N -1.25 0.02 0.10 4.34 -0.00 -1.98 0.12 115.11 116.47 1whr h GLN 205 Ca -0.47 -0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 57.87 1whr h GLN 205 Cb 1.32 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.79 1whr h GLN 205 CO 0.63 0.01 -1.59 1.79 0.00 0.00 0.00 178.83 179.67 1whr h THR 206 N 0.02 1.07 0.00 2.39 1.35 -1.95 -3.48 112.91 112.31 1whr h THR 206 Ca 0.55 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1whr h THR 206 Cb 1.06 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1whr h THR 206 CO -0.91 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 1whr n GLY 207 N 1.68 0.60 0.42 5.82 0.00 0.43 -4.97 105.19 109.17 1whr n GLY 207 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1whr n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whr h LYS 208 N 3.70 -0.43 -6.26 1.61 1.79 -1.94 -3.43 116.57 111.62 1whr h LYS 208 Ca 0.00 0.03 -0.47 0.00 -2.18 0.00 0.00 60.65 58.03 1whr h LYS 208 Cb 0.00 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1whr h LYS 208 CO 0.00 -0.29 -0.37 0.00 -1.08 0.00 0.00 179.45 177.71 1whr s ALA 209 N -5.49 4.12 0.00 3.86 0.00 -1.26 -4.90 121.76 118.09 1whr s ALA 209 Ca -0.14 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.18 1whr s ALA 209 Cb 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1whr s ALA 209 CO 0.56 -0.14 -0.20 0.54 0.00 0.00 0.00 175.76 176.52 1whr s VAL 210 N -2.35 1.60 -0.07 0.00 0.11 -1.26 -3.26 120.40 115.17 1whr s VAL 210 Ca 0.47 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1whr s VAL 210 Cb -0.06 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1whr s VAL 210 CO 0.29 0.37 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.59 1whr s ILE 211 N -0.57 2.41 0.52 7.04 1.09 -0.91 -2.63 121.20 128.14 1whr s ILE 211 Ca 0.08 -0.94 0.06 0.00 -1.10 0.00 0.00 60.65 58.75 1whr s ILE 211 Cb -0.08 -1.91 0.03 0.00 -1.06 0.00 0.00 42.46 39.43 1whr s ILE 211 CO 0.00 0.57 0.39 0.27 -0.10 0.00 0.00 174.94 176.07 1whr s ILE 212 N -0.21 1.80 0.24 2.92 -4.36 0.19 -1.37 121.20 120.41 1whr s ILE 212 Ca -0.01 -1.48 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 1whr s ILE 212 Cb -0.13 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1whr s ILE 212 CO 0.03 0.00 0.44 0.21 0.24 0.00 0.00 174.94 175.86 1whr s ASN 213 N -4.25 -0.07 -0.04 4.36 2.47 -1.24 -1.56 114.94 114.62 1whr s ASN 213 Ca 0.36 -0.97 0.05 0.00 0.42 0.00 0.00 52.86 52.72 1whr s ASN 213 Cb -0.02 0.56 -0.01 0.00 -1.45 0.00 0.00 41.25 40.33 1whr s ASN 213 CO 0.22 -1.11 -0.21 -1.59 -3.72 0.00 0.00 177.10 170.70 1whr s LYS 214 N -4.03 2.01 0.14 0.43 -2.85 -1.19 -4.12 119.74 110.13 1whr s LYS 214 Ca 0.24 -0.74 0.01 0.00 -1.00 0.00 0.00 55.97 54.47 1whr s LYS 214 Cb 0.00 -1.78 -0.04 0.00 -2.06 0.00 0.00 37.83 33.95 1whr s LYS 214 CO 0.09 0.35 0.01 0.95 0.10 0.00 0.00 175.35 176.85 1whr s THR 215 N -0.17 0.43 0.32 3.79 -4.23 -1.26 -5.02 115.64 109.50 1whr s THR 215 Ca -0.00 -1.94 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1whr s THR 215 Cb -0.11 -2.00 0.31 0.00 1.34 0.00 0.00 72.50 72.04 1whr s THR 215 CO 0.02 -0.55 1.72 0.77 -0.54 0.00 0.00 174.62 176.03 1whr h SER 216 N 2.82 0.64 -0.75 3.99 4.64 -1.96 0.49 113.55 123.43 1whr h SER 216 Ca -0.36 0.15 0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1whr h SER 216 Cb 1.19 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1whr h SER 216 CO 0.62 0.05 0.49 0.78 -0.87 0.00 0.00 176.83 177.90 1whr h ASN 217 N 0.53 0.63 -1.49 4.97 2.35 -1.94 -3.39 115.58 117.23 1whr h ASN 217 Ca 0.66 0.01 -0.45 0.00 -0.55 0.00 0.00 56.30 55.97 1whr h ASN 217 Cb 1.32 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1whr h ASN 217 CO -0.50 0.39 1.61 0.41 -1.65 0.00 0.00 177.43 177.68 1whr n THR 218 N -4.49 -0.08 -4.48 2.81 -1.04 0.17 -4.89 114.28 102.28 1whr n THR 218 Ca 0.12 -0.76 -0.25 0.00 -2.04 0.00 0.00 64.05 61.12 1whr n THR 218 Cb 0.29 -2.67 -0.10 0.00 -1.82 0.00 0.00 70.33 66.03 1whr n THR 218 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1whr s ARG 219 N 8.35 1.83 0.09 -2.82 1.70 -1.26 -4.86 118.95 121.98 1whr s ARG 219 Ca 1.00 -1.83 -0.30 0.00 -0.47 0.00 0.00 55.73 54.13 1whr s ARG 219 Cb -0.23 -1.78 -0.06 0.00 -0.57 0.00 0.00 34.95 32.31 1whr s ARG 219 CO 0.27 0.22 1.16 0.42 -1.08 0.00 0.00 175.30 176.28 1whr s ILE 220 N -2.55 4.02 0.41 4.99 1.01 -1.26 -4.88 121.20 122.94 1whr s ILE 220 Ca 0.32 1.53 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 1whr s ILE 220 Cb -0.01 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 1whr s ILE 220 CO 0.17 0.16 1.19 -2.16 0.00 0.00 0.00 174.94 174.29 1whr s PRO 221 N 0.63 4.01 0.28 2.79 0.04 -1.26 -4.92 135.00 136.57 1whr s PRO 221 Ca 0.56 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.47 1whr s PRO 221 Cb -0.29 -2.66 0.65 0.00 0.04 0.00 0.00 34.50 32.25 1whr s PRO 221 CO 0.31 -0.37 1.63 0.93 0.04 0.00 0.00 177.00 179.54 1whr h GLU 222 N 2.58 0.14 -4.85 4.56 5.08 -2.02 -3.40 114.58 116.67 1whr h GLU 222 Ca -0.49 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.48 1whr h GLU 222 Cb 1.24 -0.03 -0.26 0.00 0.50 0.00 0.00 28.75 30.19 1whr h GLU 222 CO 0.62 0.09 -0.77 1.14 -1.00 0.00 0.00 179.01 179.09 1whr s GLN 223 N -5.99 0.74 0.52 2.33 -2.07 -1.26 -5.16 119.66 108.77 1whr s GLN 223 Ca -0.13 -0.51 0.08 0.00 -1.82 0.00 0.00 55.36 52.99 1whr s GLN 223 Cb 0.26 -0.69 0.06 0.00 -1.09 0.00 0.00 33.01 31.54 1whr s GLN 223 CO 0.77 0.18 0.72 1.03 -1.32 0.00 0.00 175.29 176.67 1whr s ARG 224 N -0.69 2.48 0.01 9.60 0.52 -1.26 -4.99 118.95 124.61 1whr s ARG 224 Ca 0.01 -1.45 0.23 0.00 -0.52 0.00 0.00 55.73 54.00 1whr s ARG 224 Cb -0.06 -2.67 0.98 0.00 0.52 0.00 0.00 34.95 33.72 1whr s ARG 224 CO 0.00 -0.67 1.74 1.19 0.02 0.00 0.00 175.30 177.59 1whr n PHE 225 N -2.13 0.04 -0.23 -0.53 3.72 -1.26 -3.27 117.46 113.79 1whr n PHE 225 Ca 0.13 0.01 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1whr n PHE 225 Cb 0.61 -0.52 0.12 0.00 -0.94 0.00 0.00 39.48 38.74 1whr n PHE 225 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1whr h SER 226 N 0.00 0.99 -1.47 4.37 0.87 -1.96 -2.57 113.55 113.77 1whr h SER 226 Ca 0.00 -0.16 0.44 0.00 -1.23 0.00 0.00 61.79 60.84 1whr h SER 226 Cb 0.41 -0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.02 1whr h SER 226 CO 0.00 0.89 1.02 1.05 -0.53 0.00 0.00 176.83 179.26 1whr h GLU 227 N 1.04 0.06 -0.49 2.24 4.11 -1.97 1.16 114.58 120.73 1whr h GLU 227 Ca 0.24 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.54 1whr h GLU 227 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1whr h GLU 227 CO -0.02 0.04 -0.19 0.45 0.07 0.00 0.00 179.01 179.37 1whr h HIS 228 N 0.07 1.11 -0.77 2.06 3.86 -1.71 -3.01 115.15 116.75 1whr h HIS 228 Ca 0.77 -0.26 -0.41 0.00 -1.16 0.00 0.00 60.37 59.32 1whr h HIS 228 Cb 2.78 -0.26 -0.24 0.00 1.06 0.00 0.00 27.41 30.75 1whr h HIS 228 CO -0.00 1.07 0.39 0.44 0.86 0.00 0.00 177.93 180.69 1whr n ILE 229 N -4.12 3.00 -1.42 2.45 -5.35 0.38 -5.02 119.36 109.28 1whr n ILE 229 Ca 0.00 -2.29 -0.36 0.00 -0.27 0.00 0.00 62.75 59.84 1whr n ILE 229 Cb 0.44 -0.46 0.09 0.00 -1.74 0.00 0.00 39.64 37.97 1whr n ILE 229 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1whr n LYS 230 N -1.13 0.61 -3.75 6.28 2.85 -0.19 -5.03 118.16 117.80 1whr n LYS 230 Ca 0.51 0.27 -0.13 0.00 -1.05 0.00 0.00 58.31 57.91 1whr n LYS 230 Cb 1.41 -2.30 -0.14 0.00 -0.65 0.00 0.00 35.03 33.35 1whr n LYS 230 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1whr s ASP 231 N -1.62 -0.18 0.15 -5.58 -1.08 -1.26 -5.05 116.67 102.06 1whr s ASP 231 Ca 0.75 0.39 -0.17 0.00 -0.52 0.00 0.00 52.55 53.00 1whr s ASP 231 Cb -0.35 0.29 0.02 0.00 -1.46 0.00 0.00 42.92 41.42 1whr s ASP 231 CO 0.48 -0.14 1.78 -0.08 0.52 0.00 0.00 175.17 177.73 1whr h GLU 232 N 7.01 0.35 -3.75 4.34 4.81 -2.04 -3.41 114.58 121.88 1whr h GLU 232 Ca -0.39 -0.02 -0.45 0.00 -0.13 0.00 0.00 59.36 58.37 1whr h GLU 232 Cb 1.15 -0.08 -0.38 0.00 0.63 0.00 0.00 28.75 30.08 1whr h GLU 232 CO 0.40 0.23 -0.77 0.15 -0.73 0.00 0.00 179.01 178.29 1whr s LYS 233 N -6.16 0.71 -0.18 1.92 -0.14 -1.26 -5.13 119.74 109.50 1whr s LYS 233 Ca -0.13 0.06 -0.12 0.00 -1.36 0.00 0.00 55.97 54.42 1whr s LYS 233 Cb 0.11 -1.06 0.06 0.00 -1.68 0.00 0.00 37.83 35.25 1whr s LYS 233 CO 0.71 -0.31 0.46 0.54 -0.76 0.00 0.00 175.35 175.99 1whr s ASN 234 N 1.94 -0.56 0.43 2.83 2.20 -1.26 -5.14 114.94 115.38 1whr s ASN 234 Ca 0.05 0.98 -0.18 0.00 -0.94 0.00 0.00 52.86 52.77 1whr s ASN 234 Cb -0.12 0.89 -0.14 0.00 -2.00 0.00 0.00 41.25 39.87 1whr s ASN 234 CO -0.06 -0.19 -0.04 0.35 -2.94 0.00 0.00 177.10 174.23 1whr n THR 235 N 3.95 0.24 -3.74 0.54 -2.24 -1.26 -4.98 114.28 106.79 1whr n THR 235 Ca -0.21 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 60.95 1whr n THR 235 Cb 0.56 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 1whr n THR 235 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1whr s GLU 236 N -0.93 -0.01 0.07 -0.78 2.56 -1.26 -5.15 118.70 113.19 1whr s GLU 236 Ca 0.54 0.30 0.03 0.00 0.00 0.00 0.00 54.97 55.84 1whr s GLU 236 Cb -0.52 -0.28 -0.03 0.00 2.00 0.00 0.00 34.13 35.30 1whr s GLU 236 CO 0.60 -0.21 -0.10 -0.59 -0.56 0.00 0.00 175.26 174.40 1whr s PHE 237 N 1.40 0.92 -0.37 5.30 -0.71 -1.26 -5.12 117.98 118.14 1whr s PHE 237 Ca -0.05 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.27 1whr s PHE 237 Cb -0.12 -0.53 0.10 0.00 -1.21 0.00 0.00 43.02 41.25 1whr s PHE 237 CO -0.04 -0.03 0.13 1.14 -1.34 0.00 0.00 175.22 175.08 1whr s GLN 238 N -2.06 1.98 -0.17 1.99 -2.07 -1.26 -5.05 119.66 113.02 1whr s GLN 238 Ca -0.03 -1.71 -0.05 0.00 -1.82 0.00 0.00 55.36 51.75 1whr s GLN 238 Cb -0.07 -3.41 0.08 0.00 -1.09 0.00 0.00 33.01 28.52 1whr s GLN 238 CO 0.00 -0.95 0.31 1.14 -1.32 0.00 0.00 175.29 174.48 1whr s GLN 239 N 1.11 0.22 -0.29 9.60 -2.07 -1.26 -5.12 119.66 121.86 1whr s GLN 239 Ca 0.06 0.72 -0.01 0.00 -1.82 0.00 0.00 55.36 54.31 1whr s GLN 239 Cb -0.21 -0.16 0.18 0.00 -1.09 0.00 0.00 33.01 31.73 1whr s GLN 239 CO -0.04 -0.37 0.54 -0.98 -1.32 0.00 0.00 175.29 173.11 1whr s ARG 240 N 2.47 0.51 0.04 9.60 1.70 -1.26 -5.16 118.95 126.86 1whr s ARG 240 Ca 0.03 0.84 0.03 0.00 -0.47 0.00 0.00 55.73 56.16 1whr s ARG 240 Cb -0.13 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 1whr s ARG 240 CO -0.11 -0.67 -0.10 -0.59 -1.08 0.00 0.00 175.30 172.75 1whr s PHE 241 N 2.78 0.87 -0.29 5.89 -0.71 -1.26 -5.14 117.98 120.10 1whr s PHE 241 Ca 0.18 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.49 1whr s PHE 241 Cb -0.15 -0.51 0.18 0.00 -1.21 0.00 0.00 43.02 41.33 1whr s PHE 241 CO -0.20 -0.02 1.10 -1.50 -1.34 0.00 0.00 175.22 173.26 1whr s ILE 242 N -1.11 -0.02 -0.11 -4.49 -1.16 -1.26 -5.18 121.20 107.88 1whr s ILE 242 Ca -0.05 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 59.96 1whr s ILE 242 Cb -0.09 -1.00 0.03 0.00 0.61 0.00 0.00 42.46 42.02 1whr s ILE 242 CO 0.01 0.00 0.35 -0.22 -2.81 0.00 0.00 174.94 172.27 1whr s LEU 243 N 1.28 0.67 0.07 8.50 2.96 -1.26 -5.13 118.68 125.77 1whr s LEU 243 Ca -0.08 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1whr s LEU 243 Cb -0.03 1.25 -0.03 0.00 0.50 0.00 0.00 46.19 47.89 1whr s LEU 243 CO -0.13 -0.21 -0.10 -0.94 -1.32 0.00 0.00 176.35 173.66 1whr s SER 244 N -0.18 1.21 -0.49 3.68 1.04 -1.26 -5.11 113.70 112.59 1whr s SER 244 Ca -0.03 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 55.80 1whr s SER 244 Cb -0.03 0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.29 1whr s SER 244 CO 0.01 -0.21 0.67 -0.83 0.98 0.00 0.00 173.24 173.86 1whr s GLY 245 N -1.94 -1.04 0.94 7.32 0.00 -1.26 -5.16 107.32 106.18 1whr s GLY 245 Ca -0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1whr s GLY 245 CO 0.00 3.52 1.09 2.56 0.00 0.00 0.00 173.10 180.27 1whr s PRO 246 N 1.02 0.92 -0.04 2.90 0.04 -1.26 -5.02 135.00 133.57 1whr s PRO 246 Ca 0.27 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 1whr s PRO 246 Cb -0.01 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1whr s PRO 246 CO -0.06 -2.44 -0.04 0.43 0.04 0.00 0.00 177.00 174.93 1whr n SER 247 N -4.00 1.16 -3.45 6.66 7.64 -1.26 -5.03 113.62 115.34 1whr n SER 247 Ca 0.06 0.03 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 1whr n SER 247 Cb 0.56 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 1whr n SER 247 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whr s SER 248 N -5.07 0.31 0.00 6.43 1.04 -1.26 -5.39 113.70 109.76 1whr s SER 248 Ca -0.05 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1whr s SER 248 Cb 0.02 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1whr s SER 248 CO 0.07 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.61