#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5c n MET 143 N 0.00 0.09 0.06 5.56 2.81 -1.26 -1.92 117.12 122.46 3i5c n MET 143 Ca 0.00 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3i5c n MET 143 Cb 0.00 -1.78 -0.06 0.00 -0.71 0.00 0.00 33.22 30.68 3i5c n MET 143 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3i5c h LYS 144 N 0.00 0.00 0.03 0.03 5.09 -2.05 -2.87 116.57 116.80 3i5c h LYS 144 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.53 3i5c h LYS 144 Cb 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 3i5c h LYS 144 CO 0.00 0.38 -0.98 1.96 -2.09 0.00 0.00 179.45 178.72 3i5c h GLN 145 N 0.00 0.14 -0.09 0.07 1.08 -1.83 -2.61 115.11 111.88 3i5c h GLN 145 Ca -0.11 -0.19 -0.16 0.00 -1.45 0.00 0.00 58.65 56.74 3i5c h GLN 145 Cb 1.54 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.02 3i5c h GLN 145 CO 0.06 1.00 -0.65 -0.07 -0.95 0.00 0.00 178.83 178.21 3i5c h LEU 146 N 0.06 0.40 -0.60 1.46 3.38 -1.64 -2.25 115.31 116.11 3i5c h LEU 146 Ca -0.05 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 3i5c h LEU 146 Cb 1.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3i5c h LEU 146 CO 0.14 0.94 -0.50 -0.33 0.09 0.00 0.00 178.44 178.79 3i5c h GLU 147 N 0.25 0.52 -0.09 1.13 5.08 -1.51 -1.98 114.58 117.98 3i5c h GLU 147 Ca -0.01 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 3i5c h GLU 147 Cb 1.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i5c h GLU 147 CO 0.11 0.90 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.29 3i5c h ASP 148 N 0.41 0.40 -0.86 1.42 3.32 -1.48 -2.58 116.42 117.04 3i5c h ASP 148 Ca 0.02 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.49 3i5c h ASP 148 Cb 1.02 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 3i5c h ASP 148 CO 0.09 0.94 0.56 0.50 -1.72 0.00 0.00 179.24 179.61 3i5c h LYS 149 N -0.13 1.05 -0.48 3.56 1.63 -1.41 0.03 116.57 120.84 3i5c h LYS 149 Ca -0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 3i5c h LYS 149 Cb 0.91 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 3i5c h LYS 149 CO 0.06 0.70 0.18 0.28 -3.45 0.00 0.00 179.45 177.22 3i5c h VAL 150 N 1.09 1.21 -0.27 2.00 2.07 -1.39 -1.42 116.25 119.54 3i5c h VAL 150 Ca 0.34 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3i5c h VAL 150 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3i5c h VAL 150 CO -0.11 0.25 0.15 -0.08 0.02 0.00 0.00 177.57 177.80 3i5c h GLU 151 N 0.63 0.30 -0.85 1.57 4.57 -1.01 0.17 114.58 119.96 3i5c h GLU 151 Ca 0.16 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.46 3i5c h GLU 151 Cb 0.22 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.65 3i5c h GLU 151 CO -0.01 0.20 0.45 0.93 -1.18 0.00 0.00 179.01 179.40 3i5c h GLU 152 N 0.31 0.65 -0.02 1.92 5.08 -0.73 -1.40 114.58 120.39 3i5c h GLU 152 Ca 0.11 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3i5c h GLU 152 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3i5c h GLU 152 CO -0.06 0.43 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.52 3i5c h LEU 153 N 0.67 0.28 -0.64 1.33 3.38 -0.66 -1.22 115.31 118.45 3i5c h LEU 153 Ca 0.46 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3i5c h LEU 153 Cb 0.61 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3i5c h LEU 153 CO -0.34 0.96 0.41 -0.07 0.09 0.00 0.00 178.44 179.49 3i5c h LEU 154 N 0.14 0.71 -0.15 1.67 4.07 -0.33 -0.16 115.31 121.26 3i5c h LEU 154 Ca -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3i5c h LEU 154 Cb 1.38 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 3i5c h LEU 154 CO 0.12 0.51 -0.00 0.28 -1.08 0.00 0.00 178.44 178.27 3i5c h SER 155 N 0.84 0.26 -0.20 -0.43 0.02 -0.95 -0.42 113.55 112.66 3i5c h SER 155 Ca 0.24 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3i5c h SER 155 Cb -0.07 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3i5c h SER 155 CO -0.06 0.50 -0.02 0.50 -1.14 0.00 0.00 176.83 176.61 3i5c h LYS 156 N 0.00 0.04 -0.37 3.45 3.64 -1.15 -2.12 116.57 120.06 3i5c h LYS 156 Ca 0.04 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3i5c h LYS 156 Cb 0.37 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 3i5c h LYS 156 CO 0.01 0.03 -0.12 -0.97 -2.27 0.00 0.00 179.45 176.13 3i5c h ASN 157 N 0.04 -0.42 -0.28 4.20 -0.73 -0.84 -0.37 115.58 117.19 3i5c h ASN 157 Ca 0.10 0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.43 3i5c h ASN 157 Cb 0.13 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.93 3i5c h ASN 157 CO -0.18 -0.15 0.01 0.22 -0.37 0.00 0.00 177.43 176.96 3i5c h TYR 158 N -0.04 0.00 -0.55 0.67 3.20 -0.74 -0.92 116.97 118.61 3i5c h TYR 158 Ca 0.18 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3i5c h TYR 158 Cb 0.31 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3i5c h TYR 158 CO -0.36 -0.04 -0.04 0.45 -1.64 0.00 0.00 178.16 176.54 3i5c h HIS 159 N 0.10 1.06 -0.19 -3.82 3.86 -0.98 -2.10 115.15 113.07 3i5c h HIS 159 Ca 0.13 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3i5c h HIS 159 Cb 0.17 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3i5c h HIS 159 CO -0.21 0.96 0.12 -0.07 0.86 0.00 0.00 177.93 179.60 3i5c h LEU 160 N 0.88 0.23 -0.98 2.43 3.38 -0.65 -0.30 115.31 120.29 3i5c h LEU 160 Ca 0.15 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3i5c h LEU 160 Cb 0.57 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3i5c h LEU 160 CO 0.03 0.18 0.64 -0.33 0.09 0.00 0.00 178.44 179.05 3i5c h GLU 161 N 0.25 1.22 -0.51 1.13 4.39 -1.05 0.13 114.58 120.15 3i5c h GLU 161 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3i5c h GLU 161 Cb -0.01 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 3i5c h GLU 161 CO -0.01 0.81 0.25 -0.91 -1.16 0.00 0.00 179.01 177.98 3i5c h ASN 162 N 1.25 0.66 -0.49 1.42 2.35 -0.90 -2.02 115.58 117.84 3i5c h ASN 162 Ca 0.39 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3i5c h ASN 162 Cb -0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3i5c h ASN 162 CO -0.12 0.60 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.17 3i5c h GLU 163 N 0.67 0.93 -0.61 0.81 4.57 -0.20 -0.31 114.58 120.45 3i5c h GLU 163 Ca 0.17 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3i5c h GLU 163 Cb 0.12 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3i5c h GLU 163 CO -0.02 0.93 0.14 0.28 -1.18 0.00 0.00 179.01 179.16 3i5c h VAL 164 N 0.86 1.25 -0.37 0.32 2.07 -0.83 -1.35 116.25 118.20 3i5c h VAL 164 Ca 0.16 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 3i5c h VAL 164 Cb 0.52 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3i5c h VAL 164 CO 0.03 0.35 -0.32 0.00 0.02 0.00 0.00 177.57 177.65 3i5c h ALA 165 N 1.04 0.74 -0.13 1.67 0.00 -1.11 -1.58 119.26 119.89 3i5c h ALA 165 Ca 0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3i5c h ALA 165 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i5c h ALA 165 CO 0.00 0.66 0.08 -0.09 0.00 0.00 0.00 179.25 179.90 3i5c h ARG 166 N 0.69 0.17 -0.47 0.00 2.43 -0.80 -3.06 114.38 113.34 3i5c h ARG 166 Ca 0.07 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3i5c h ARG 166 Cb 0.87 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3i5c h ARG 166 CO 0.08 0.14 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.57 3i5c h LEU 167 N 0.14 0.79 -1.62 3.80 3.38 -1.16 -2.96 115.31 117.68 3i5c h LEU 167 Ca 0.05 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i5c h LEU 167 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3i5c h LEU 167 CO -0.01 0.88 0.33 0.11 0.09 0.00 0.00 178.44 179.84 3i5c h LYS 168 N 0.75 0.47 0.00 1.13 1.57 -1.19 -0.53 116.57 118.76 3i5c h LYS 168 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i5c h LYS 168 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3i5c h LYS 168 CO 0.03 0.31 0.00 0.87 -0.57 0.00 0.00 179.45 180.09 3i5c h LYS 169 N 0.48 0.00 0.00 3.15 1.57 -1.45 -3.13 116.57 117.19 3i5c h LYS 169 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i5c h LYS 169 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3i5c h LYS 169 CO -0.05 0.00 -1.24 1.28 -0.57 0.00 0.00 179.45 178.87 3i5c n LEU 170 N -2.30 0.61 -4.75 2.94 4.77 -0.23 -4.94 117.00 113.11 3i5c n LEU 170 Ca 0.02 -0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 3i5c n LEU 170 Cb 0.25 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3i5c n LEU 170 CO 0.21 0.15 1.18 -0.69 -1.33 0.00 0.00 177.39 176.92 3i5c s VAL 171 N -3.00 2.34 -0.99 4.08 1.01 -1.09 -4.92 120.40 117.84 3i5c s VAL 171 Ca 0.02 0.29 0.22 0.00 0.00 0.00 0.00 61.98 62.51 3i5c s VAL 171 Cb 0.14 -3.18 -0.16 0.00 0.00 0.00 0.00 36.38 33.18 3i5c s VAL 171 CO 0.80 0.04 1.06 0.59 0.00 0.00 0.00 175.10 177.59 3i5c n ASN 172 N 2.32 0.83 -4.94 3.32 3.02 -1.26 -4.96 115.26 113.60 3i5c n ASN 172 Ca 0.08 -0.75 -0.27 0.00 -0.03 0.00 0.00 54.58 53.61 3i5c n ASN 172 Cb 0.39 0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 40.30 3i5c n ASN 172 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i5c s SER 173 N -3.03 6.36 -0.14 6.41 0.01 -1.26 -0.80 113.70 121.25 3i5c s SER 173 Ca 0.09 0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.38 3i5c s SER 173 Cb 0.16 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 3i5c s SER 173 CO 0.82 0.02 0.74 -0.62 0.41 0.00 0.00 173.24 174.61 3i5c s ASP 174 N -3.19 6.91 0.12 2.44 2.15 0.15 -4.55 116.67 120.70 3i5c s ASP 174 Ca 0.36 1.10 -0.27 0.00 0.43 0.00 0.00 52.55 54.17 3i5c s ASP 174 Cb -0.11 -2.42 -0.06 0.00 -0.30 0.00 0.00 42.92 40.04 3i5c s ASP 174 CO 0.29 -0.27 1.62 1.23 -0.17 0.00 0.00 175.17 177.86 3i5c h GLY 175 N 7.75 -0.52 0.94 2.66 0.00 -1.96 0.16 103.07 112.10 3i5c h GLY 175 Ca -0.34 0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3i5c h GLY 175 CO 0.79 -0.23 0.06 -2.00 0.00 0.00 0.00 176.54 175.16 3i5c h LEU 176 N -0.47 0.08 0.00 3.11 5.85 -1.97 -3.33 115.31 118.58 3i5c h LEU 176 Ca 0.06 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3i5c h LEU 176 Cb 0.55 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3i5c h LEU 176 CO -0.26 0.07 -1.88 0.35 -0.34 0.00 0.00 178.44 176.38 3i5c n THR 177 N -5.04 0.14 -0.67 1.05 -2.24 -1.21 -4.78 114.28 101.54 3i5c n THR 177 Ca -0.05 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3i5c n THR 177 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3i5c n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5c n GLY 178 N 1.52 1.31 3.88 3.38 0.00 0.56 -4.85 105.19 110.99 3i5c n GLY 178 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3i5c n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5c s LEU 179 N 0.00 2.41 0.63 0.99 1.43 -1.26 -4.63 118.68 118.25 3i5c s LEU 179 Ca 0.00 0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3i5c s LEU 179 Cb 0.00 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3i5c s LEU 179 CO 0.00 -2.55 1.30 -1.20 0.23 0.00 0.00 176.35 174.13 3i5c n SER 180 N -3.70 2.13 -4.49 2.29 7.64 -1.01 0.32 113.62 116.79 3i5c n SER 180 Ca 0.12 0.85 -0.26 0.00 1.01 0.00 0.00 58.87 60.59 3i5c n SER 180 Cb 0.60 -1.56 0.13 0.00 -1.01 0.00 0.00 64.21 62.38 3i5c n SER 180 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i5c s ASN 181 N -1.31 3.93 0.20 6.43 2.20 0.02 -0.45 114.94 125.96 3i5c s ASN 181 Ca 0.81 -0.06 -0.05 0.00 -0.94 0.00 0.00 52.86 52.61 3i5c s ASN 181 Cb -0.39 -0.21 0.15 0.00 -2.00 0.00 0.00 41.25 38.80 3i5c s ASN 181 CO 0.42 -2.16 1.61 -0.09 -2.94 0.00 0.00 177.10 173.93 3i5c h ARG 182 N -0.95 0.79 -0.67 3.55 9.65 -1.80 -1.27 114.38 123.68 3i5c h ARG 182 Ca -0.40 -0.34 -0.04 0.00 -1.10 0.00 0.00 59.98 58.11 3i5c h ARG 182 Cb 1.26 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 3i5c h ARG 182 CO 0.41 0.96 0.27 -0.09 2.80 0.00 0.00 179.97 184.31 3i5c h ARG 183 N 0.69 1.01 -0.45 0.20 2.43 -1.93 0.38 114.38 116.71 3i5c h ARG 183 Ca 0.09 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3i5c h ARG 183 Cb 0.77 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3i5c h ARG 183 CO 0.06 0.85 -0.24 1.25 -1.51 0.00 0.00 179.97 180.38 3i5c h HIS 184 N 0.96 1.08 -0.55 2.20 2.76 -1.79 -2.23 115.15 117.59 3i5c h HIS 184 Ca 0.22 -0.27 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3i5c h HIS 184 Cb 0.22 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 3i5c h HIS 184 CO 0.01 1.07 0.30 0.35 -1.30 0.00 0.00 177.93 178.37 3i5c h PHE 185 N 0.81 0.56 -0.40 5.26 3.57 -0.76 0.89 116.94 126.86 3i5c h PHE 185 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3i5c h PHE 185 Cb 0.80 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3i5c h PHE 185 CO 0.05 0.29 0.22 -0.44 -2.23 0.00 0.00 178.31 176.20 3i5c h ASP 186 N 0.58 0.50 -0.30 0.41 3.32 -0.76 0.11 116.42 120.28 3i5c h ASP 186 Ca 0.24 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3i5c h ASP 186 Cb 0.10 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3i5c h ASP 186 CO -0.14 0.44 0.14 -0.33 -1.72 0.00 0.00 179.24 177.62 3i5c h GLU 187 N 0.52 0.43 -0.31 3.56 5.08 -1.15 -1.40 114.58 121.30 3i5c h GLU 187 Ca 0.14 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3i5c h GLU 187 Cb 0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3i5c h GLU 187 CO -0.02 0.42 0.08 -0.92 -1.00 0.00 0.00 179.01 177.56 3i5c h TYR 188 N 0.34 0.53 -0.67 4.33 3.20 -0.49 -1.60 116.97 122.61 3i5c h TYR 188 Ca 0.10 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 3i5c h TYR 188 Cb 0.14 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3i5c h TYR 188 CO -0.02 0.56 0.16 1.25 -1.64 0.00 0.00 178.16 178.47 3i5c h LEU 189 N 0.35 1.01 -0.44 2.82 5.85 -0.96 -0.15 115.31 123.79 3i5c h LEU 189 Ca 0.10 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3i5c h LEU 189 Cb 0.30 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3i5c h LEU 189 CO 0.00 0.98 0.25 -0.08 -0.34 0.00 0.00 178.44 179.25 3i5c h GLU 190 N 0.99 0.48 -0.56 1.25 4.81 -1.06 -0.19 114.58 120.30 3i5c h GLU 190 Ca 0.21 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3i5c h GLU 190 Cb 0.37 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3i5c h GLU 190 CO 0.00 0.32 0.00 0.52 -0.73 0.00 0.00 179.01 179.12 3i5c h MET 191 N 0.49 0.99 -0.44 1.92 2.86 -0.94 -2.96 114.93 116.84 3i5c h MET 191 Ca 0.18 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 3i5c h MET 191 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3i5c h MET 191 CO -0.10 0.99 0.03 0.93 1.06 0.00 0.00 176.91 179.82 3i5c h GLU 192 N 0.87 0.70 -0.32 1.72 4.39 -0.72 -1.61 114.58 119.61 3i5c h GLU 192 Ca 0.16 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3i5c h GLU 192 Cb 0.54 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3i5c h GLU 192 CO 0.03 0.69 0.15 2.35 -1.16 0.00 0.00 179.01 181.07 3i5c h TRP 193 N 0.66 0.28 -0.16 4.33 2.91 -0.91 0.14 115.95 123.21 3i5c h TRP 193 Ca 0.14 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.08 3i5c h TRP 193 Cb 0.36 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 3i5c h TRP 193 CO 0.02 0.15 -0.29 0.00 -1.03 0.00 0.00 178.44 177.29 3i5c h ARG 194 N 0.32 0.30 -0.42 2.65 3.08 -1.31 0.61 114.38 119.61 3i5c h ARG 194 Ca 0.14 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3i5c h ARG 194 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3i5c h ARG 194 CO -0.10 0.57 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.23 3i5c h ARG 195 N 0.27 0.78 -0.29 0.04 2.43 -0.78 -2.04 114.38 114.80 3i5c h ARG 195 Ca 0.04 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 3i5c h ARG 195 Cb 0.66 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3i5c h ARG 195 CO 0.05 0.89 -0.31 0.77 -1.51 0.00 0.00 179.97 179.85 3i5c h SER 196 N 0.61 0.64 0.09 -3.80 0.02 -0.38 -1.50 113.55 109.23 3i5c h SER 196 Ca 0.11 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3i5c h SER 196 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3i5c h SER 196 CO 0.03 0.91 -0.16 0.25 -1.14 0.00 0.00 176.83 176.72 3i5c h LEU 197 N 0.53 -0.44 -0.18 5.07 5.85 -0.84 0.44 115.31 125.73 3i5c h LEU 197 Ca 0.06 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3i5c h LEU 197 Cb 0.80 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3i5c h LEU 197 CO 0.07 -0.23 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.80 3i5c h ARG 198 N -0.31 -0.00 -0.01 1.25 2.43 -1.11 -2.50 114.38 114.12 3i5c h ARG 198 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i5c h ARG 198 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i5c h ARG 198 CO -0.09 -0.00 -0.09 0.39 -1.51 0.00 0.00 179.97 178.67 3i5c n GLU 199 N -5.19 0.96 -4.08 0.20 -0.58 -0.59 -4.92 120.64 106.44 3i5c n GLU 199 Ca -0.03 -0.38 -0.28 0.00 -0.42 0.00 0.00 57.16 56.05 3i5c n GLU 199 Cb 0.12 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 3i5c n GLU 199 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i5c n GLN 200 N -0.69 -2.39 -3.84 3.49 1.13 0.14 -4.96 117.38 110.26 3i5c n GLN 200 Ca 0.17 0.29 -0.21 0.00 -1.94 0.00 0.00 57.00 55.31 3i5c n GLN 200 Cb 0.28 -4.16 -0.03 0.00 0.11 0.00 0.00 30.24 26.44 3i5c n GLN 200 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3i5c s SER 201 N -4.35 5.57 -0.11 1.08 1.04 -0.54 -5.02 113.70 111.37 3i5c s SER 201 Ca 0.02 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.86 3i5c s SER 201 Cb -0.01 -1.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.88 3i5c s SER 201 CO 0.93 -0.26 0.87 -1.10 0.98 0.00 0.00 173.24 174.66 3i5c s GLN 202 N -3.99 4.39 -0.23 4.02 -0.21 -1.26 -4.36 119.66 118.02 3i5c s GLN 202 Ca 0.39 1.13 -0.04 0.00 0.02 0.00 0.00 55.36 56.87 3i5c s GLN 202 Cb -0.07 -3.53 -0.00 0.00 1.00 0.00 0.00 33.01 30.41 3i5c s GLN 202 CO 0.27 -0.22 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.02 3i5c s LEU 203 N 1.72 2.99 0.19 2.90 2.96 0.15 -0.87 118.68 128.73 3i5c s LEU 203 Ca 0.42 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 3i5c s LEU 203 Cb -0.18 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3i5c s LEU 203 CO 0.17 -0.05 0.07 -0.44 -1.32 0.00 0.00 176.35 174.78 3i5c s SER 204 N 1.46 5.07 -0.03 3.68 0.01 -0.86 -1.71 113.70 121.33 3i5c s SER 204 Ca 0.05 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 3i5c s SER 204 Cb -0.15 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 64.91 3i5c s SER 204 CO -0.03 0.06 0.07 -0.22 0.41 0.00 0.00 173.24 173.52 3i5c s LEU 205 N -3.17 1.67 -0.14 2.44 2.96 -0.30 -0.34 118.68 121.78 3i5c s LEU 205 Ca 0.30 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3i5c s LEU 205 Cb -0.09 0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 3i5c s LEU 205 CO 0.21 -0.03 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.36 3i5c s LEU 206 N 0.15 2.98 -0.15 -0.68 1.02 -0.01 -1.64 118.68 120.35 3i5c s LEU 206 Ca -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 3i5c s LEU 206 Cb -0.02 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 3i5c s LEU 206 CO -0.00 0.16 -0.10 -0.04 0.02 0.00 0.00 176.35 176.39 3i5c s MET 207 N 0.39 3.46 -0.16 1.70 -1.94 -0.27 -1.27 119.30 121.20 3i5c s MET 207 Ca -0.07 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 3i5c s MET 207 Cb -0.15 -2.75 0.03 0.00 2.01 0.00 0.00 34.83 33.97 3i5c s MET 207 CO 0.04 0.17 -0.11 0.42 -0.01 0.00 0.00 175.02 175.53 3i5c s ILE 208 N 0.49 1.45 -0.10 2.53 1.01 0.02 -0.78 121.20 125.81 3i5c s ILE 208 Ca -0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3i5c s ILE 208 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3i5c s ILE 208 CO 0.04 0.33 0.09 -1.81 0.00 0.00 0.00 174.94 173.59 3i5c s ASP 209 N 1.52 5.96 -0.32 3.58 1.11 -0.17 -1.03 116.67 127.31 3i5c s ASP 209 Ca 0.03 0.34 -0.24 0.00 0.18 0.00 0.00 52.55 52.86 3i5c s ASP 209 Cb -0.14 -1.84 0.00 0.00 1.07 0.00 0.00 42.92 42.01 3i5c s ASP 209 CO -0.09 0.39 0.81 -0.69 1.18 0.00 0.00 175.17 176.77 3i5c s VAL 210 N -0.98 4.75 0.31 -1.27 1.01 -1.16 -1.46 120.40 121.60 3i5c s VAL 210 Ca 0.15 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 3i5c s VAL 210 Cb -0.12 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 3i5c s VAL 210 CO 0.04 -0.31 1.42 -1.81 0.00 0.00 0.00 175.10 174.43 3i5c s ASP 211 N 1.68 6.61 -1.44 3.32 1.01 0.06 -3.05 116.67 124.84 3i5c s ASP 211 Ca 0.33 2.78 -0.10 0.00 0.71 0.00 0.00 52.55 56.28 3i5c s ASP 211 Cb -0.14 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.21 3i5c s ASP 211 CO 0.14 -0.70 0.72 -1.22 0.21 0.00 0.00 175.17 174.32 3i5c n TYR 212 N 1.38 -2.07 0.09 4.23 4.02 -1.26 -4.65 117.16 118.90 3i5c n TYR 212 Ca 0.03 0.65 -0.19 0.00 -0.01 0.00 0.00 57.90 58.39 3i5c n TYR 212 Cb 0.40 -3.82 -0.11 0.00 -0.02 0.00 0.00 39.34 35.80 3i5c n TYR 212 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3i5c h PHE 213 N -1.54 0.81 -0.95 -0.72 3.57 -1.94 -1.86 116.94 114.31 3i5c h PHE 213 Ca -0.51 -0.50 0.08 0.00 3.53 0.00 0.00 57.97 60.57 3i5c h PHE 213 Cb 1.34 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 3i5c h PHE 213 CO 0.59 1.35 0.61 0.87 -2.23 0.00 0.00 178.31 179.50 3i5c h LYS 214 N 0.23 1.00 -0.25 1.11 1.57 -1.90 -0.29 116.57 118.04 3i5c h LYS 214 Ca -0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 3i5c h LYS 214 Cb 1.83 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 3i5c h LYS 214 CO 0.21 0.66 -0.14 0.77 -0.57 0.00 0.00 179.45 180.39 3i5c h SER 215 N 1.04 0.56 -0.28 0.86 0.02 -1.93 -2.21 113.55 111.60 3i5c h SER 215 Ca 0.42 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3i5c h SER 215 Cb 0.28 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 3i5c h SER 215 CO -0.18 0.86 -0.20 0.22 -1.14 0.00 0.00 176.83 176.39 3i5c h TYR 216 N 0.27 -0.51 -0.59 3.45 3.20 -0.74 0.38 116.97 122.42 3i5c h TYR 216 Ca 0.05 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3i5c h TYR 216 Cb 0.66 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3i5c h TYR 216 CO 0.06 -0.28 0.24 -0.97 -1.64 0.00 0.00 178.16 175.58 3i5c h ASN 217 N -0.18 0.78 -0.08 -2.11 -1.24 -1.01 0.77 115.58 112.52 3i5c h ASN 217 Ca 0.15 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 3i5c h ASN 217 Cb 0.41 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3i5c h ASN 217 CO -0.39 0.70 -0.19 -0.78 -1.29 0.00 0.00 177.43 175.48 3i5c h ASP 218 N 0.85 0.30 -0.02 1.15 3.58 -0.95 0.07 116.42 121.41 3i5c h ASP 218 Ca 0.20 -0.58 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 3i5c h ASP 218 Cb 0.15 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3i5c h ASP 218 CO -0.02 0.83 0.00 0.74 -2.88 0.00 0.00 179.24 177.91 3i5c h THR 219 N -0.21 1.25 -0.02 2.25 2.02 -0.04 -3.33 112.91 114.83 3i5c h THR 219 Ca -0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3i5c h THR 219 Cb 0.78 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3i5c h THR 219 CO 0.04 0.19 -0.44 0.49 0.37 0.00 0.00 175.52 176.17 3i5c n PHE 220 N -4.92 0.00 0.00 3.16 3.72 0.25 -5.08 117.46 114.58 3i5c n PHE 220 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3i5c n PHE 220 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3i5c n PHE 220 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i5c n GLY 221 N 1.39 -0.38 0.21 1.37 0.00 0.01 -4.37 105.19 103.43 3i5c n GLY 221 Ca 0.09 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 3i5c n GLY 221 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i5c h HIS 222 N 0.00 0.52 -0.38 1.61 3.86 -1.92 -1.34 115.15 117.49 3i5c h HIS 222 Ca 0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3i5c h HIS 222 Cb 0.00 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3i5c h HIS 222 CO 0.00 0.80 0.25 0.28 0.86 0.00 0.00 177.93 180.11 3i5c h VAL 223 N 0.35 1.11 -0.43 2.45 2.07 -1.93 0.27 116.25 120.15 3i5c h VAL 223 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3i5c h VAL 223 Cb 0.91 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3i5c h VAL 223 CO 0.08 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.97 3i5c h ALA 224 N 1.13 0.55 -0.45 1.67 0.00 -1.70 -2.04 119.26 118.42 3i5c h ALA 224 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i5c h ALA 224 Cb -0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3i5c h ALA 224 CO -0.03 0.13 0.14 0.78 0.00 0.00 0.00 179.25 180.27 3i5c h GLY 225 N 0.55 0.57 1.13 0.00 0.00 -0.80 -0.06 103.07 104.46 3i5c h GLY 225 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3i5c h GLY 225 CO -0.02 -0.00 0.57 -0.55 0.00 0.00 0.00 176.54 176.54 3i5c h ASP 226 N 0.30 1.02 -0.61 0.19 3.32 -0.26 -0.52 116.42 119.86 3i5c h ASP 226 Ca 0.21 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3i5c h ASP 226 Cb 0.23 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3i5c h ASP 226 CO -0.24 0.75 0.10 -0.08 -1.72 0.00 0.00 179.24 178.05 3i5c h GLU 227 N 1.20 1.04 -0.58 3.56 4.57 -0.59 -0.40 114.58 123.37 3i5c h GLU 227 Ca 0.32 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3i5c h GLU 227 Cb -0.11 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 3i5c h GLU 227 CO -0.07 0.96 0.38 0.00 -1.18 0.00 0.00 179.01 179.11 3i5c h ALA 228 N 1.12 0.74 -0.66 2.92 0.00 -0.20 -1.46 119.26 121.73 3i5c h ALA 228 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i5c h ALA 228 Cb 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i5c h ALA 228 CO 0.01 0.16 0.24 -0.07 0.00 0.00 0.00 179.25 179.59 3i5c h LEU 229 N 0.77 0.90 -0.43 0.00 3.38 -0.71 -0.37 115.31 118.85 3i5c h LEU 229 Ca 0.22 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3i5c h LEU 229 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3i5c h LEU 229 CO -0.06 0.81 0.27 -0.09 0.09 0.00 0.00 178.44 179.47 3i5c h ARG 230 N 0.95 0.53 -0.28 1.13 2.43 -0.67 -1.23 114.38 117.25 3i5c h ARG 230 Ca 0.22 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 3i5c h ARG 230 Cb 0.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3i5c h ARG 230 CO -0.02 0.35 -0.38 1.96 -1.51 0.00 0.00 179.97 180.38 3i5c h GLN 231 N 0.54 0.63 -0.41 0.20 4.20 -0.91 -1.99 115.11 117.38 3i5c h GLN 231 Ca 0.17 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3i5c h GLN 231 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3i5c h GLN 231 CO -0.06 0.91 -0.02 0.28 -0.67 0.00 0.00 178.83 179.26 3i5c h VAL 232 N 0.53 1.26 -1.00 -0.54 2.07 -0.93 -1.75 116.25 115.89 3i5c h VAL 232 Ca 0.05 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3i5c h VAL 232 Cb 0.89 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3i5c h VAL 232 CO 0.08 0.36 0.65 0.00 0.02 0.00 0.00 177.57 178.68 3i5c h ALA 233 N 0.88 1.37 -0.85 1.67 0.00 -1.13 0.30 119.26 121.49 3i5c h ALA 233 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i5c h ALA 233 Cb 0.52 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3i5c h ALA 233 CO 0.03 0.47 0.50 0.78 0.00 0.00 0.00 179.25 181.03 3i5c h GLY 234 N 1.20 1.25 1.06 0.00 0.00 -1.11 -1.30 103.07 104.17 3i5c h GLY 234 Ca 0.42 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3i5c h GLY 234 CO -0.16 0.51 0.09 0.00 0.00 0.00 0.00 176.54 176.99 3i5c h ALA 235 N 1.27 0.86 -0.11 3.60 0.00 -0.36 -3.03 119.26 121.49 3i5c h ALA 235 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i5c h ALA 235 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i5c h ALA 235 CO -0.05 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.67 3i5c h ILE 236 N 0.99 1.21 0.00 0.00 2.04 -0.50 -3.14 117.51 118.11 3i5c h ILE 236 Ca 0.19 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3i5c h ILE 236 Cb 0.45 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3i5c h ILE 236 CO 0.01 0.19 0.00 0.08 0.00 0.00 0.00 178.15 178.43 3i5c h ARG 237 N -0.03 0.00 0.00 2.37 0.11 -1.25 1.35 114.38 116.92 3i5c h ARG 237 Ca 0.03 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 3i5c h ARG 237 Cb 0.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 3i5c h ARG 237 CO 0.00 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 180.93 3i5c h GLU 238 N 0.00 0.00 0.00 0.08 5.08 -1.48 -3.30 114.58 114.95 3i5c h GLU 238 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i5c h GLU 238 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3i5c h GLU 238 CO 0.00 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 3i5c n GLY 239 N -0.72 -1.58 3.03 -3.84 0.00 0.46 -4.81 105.19 97.73 3i5c n GLY 239 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3i5c n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5c n SER 241 N 1.69 0.74 -4.77 0.00 7.64 -1.26 -4.98 113.62 112.67 3i5c n SER 241 Ca -0.22 -0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.29 3i5c n SER 241 Cb 0.55 0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.91 3i5c n SER 241 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i5c s ARG 242 N -0.31 3.63 0.59 1.43 0.52 -1.26 -4.89 118.95 118.67 3i5c s ARG 242 Ca 0.00 1.75 0.29 0.00 -0.52 0.00 0.00 55.73 57.25 3i5c s ARG 242 Cb 0.00 -2.30 1.65 0.00 0.52 0.00 0.00 34.95 34.82 3i5c s ARG 242 CO 0.00 -0.65 2.07 0.66 0.02 0.00 0.00 175.30 177.40 3i5c h SER 243 N 1.81 0.00 0.51 0.23 4.64 -2.02 -1.33 113.55 117.39 3i5c h SER 243 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3i5c h SER 243 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i5c h SER 243 CO 0.59 0.00 -0.91 -1.54 -0.87 0.00 0.00 176.83 174.10 3i5c n SER 244 N -3.74 0.63 -4.77 4.97 3.41 -1.26 -4.91 113.62 107.95 3i5c n SER 244 Ca 0.02 -0.17 -0.37 0.00 -0.26 0.00 0.00 58.87 58.09 3i5c n SER 244 Cb 0.37 0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3i5c n SER 244 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i5c s ASP 245 N -3.90 6.04 -0.08 4.04 1.01 -0.50 -4.49 116.67 118.79 3i5c s ASP 245 Ca 0.05 2.39 -0.04 0.00 0.71 0.00 0.00 52.55 55.66 3i5c s ASP 245 Cb 0.14 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.50 3i5c s ASP 245 CO 0.78 -1.01 0.18 -0.22 0.21 0.00 0.00 175.17 175.10 3i5c s LEU 246 N -3.07 0.68 -0.01 1.23 2.96 -0.68 -4.89 118.68 114.89 3i5c s LEU 246 Ca 0.64 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3i5c s LEU 246 Cb -0.31 0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.83 3i5c s LEU 246 CO 0.37 -0.15 -0.01 0.00 -1.32 0.00 0.00 176.35 175.24 3i5c s ALA 247 N 1.12 3.24 0.03 5.97 0.00 -1.26 -0.37 121.76 130.49 3i5c s ALA 247 Ca -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3i5c s ALA 247 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3i5c s ALA 247 CO -0.06 0.63 0.02 0.00 0.00 0.00 0.00 175.76 176.35 3i5c s ALA 248 N -1.04 0.12 -0.59 0.00 0.00 0.36 -2.42 121.76 118.19 3i5c s ALA 248 Ca 0.18 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 3i5c s ALA 248 Cb -0.11 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3i5c s ALA 248 CO 0.09 -0.26 1.17 0.50 0.00 0.00 0.00 175.76 177.26 3i5c s ARG 249 N -2.38 3.47 0.06 0.00 6.06 0.40 -1.44 118.95 125.13 3i5c s ARG 249 Ca -0.07 0.15 -0.03 0.00 -2.50 0.00 0.00 55.73 53.27 3i5c s ARG 249 Cb -0.03 -4.03 -0.28 0.00 0.06 0.00 0.00 34.95 30.67 3i5c s ARG 249 CO -0.04 -1.70 1.09 -0.92 -2.50 0.00 0.00 175.30 171.23 3i5c h TYR 250 N 9.56 0.46 -1.84 5.12 5.03 -1.32 -2.96 116.97 131.02 3i5c h TYR 250 Ca -0.25 -0.34 0.00 0.00 2.58 0.00 0.00 58.73 60.72 3i5c h TYR 250 Cb 1.06 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.32 3i5c h TYR 250 CO 1.03 1.28 0.00 0.41 -1.32 0.00 0.00 178.16 179.56 3i5c n GLY 251 N 1.55 2.31 0.20 1.82 0.00 -0.98 -4.71 105.19 105.39 3i5c n GLY 251 Ca -0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 3i5c n GLY 251 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i5c h GLY 252 N 0.00 0.67 -1.50 -0.02 0.00 -2.03 -3.04 103.07 97.15 3i5c h GLY 252 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3i5c h GLY 252 CO 0.00 0.03 -0.63 -1.84 0.00 0.00 0.00 176.54 174.10 3i5c n GLU 253 N -4.98 1.23 -4.30 4.80 0.00 -1.26 -5.06 120.64 111.07 3i5c n GLU 253 Ca 0.05 -3.01 -0.22 0.00 0.00 0.00 0.00 57.16 53.99 3i5c n GLU 253 Cb 0.19 -1.24 -0.13 0.00 0.00 0.00 0.00 31.44 30.26 3i5c n GLU 253 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3i5c s GLU 254 N -2.48 1.02 0.29 3.44 2.02 -1.15 -2.98 118.70 118.86 3i5c s GLU 254 Ca 0.37 -1.00 0.07 0.00 0.02 0.00 0.00 54.97 54.43 3i5c s GLU 254 Cb 0.37 -1.14 -0.06 0.00 0.10 0.00 0.00 34.13 33.41 3i5c s GLU 254 CO -0.09 0.27 -0.06 -0.06 0.02 0.00 0.00 175.26 175.33 3i5c s PHE 255 N -1.11 2.03 0.06 1.61 0.08 -0.20 -0.93 117.98 119.52 3i5c s PHE 255 Ca 0.03 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 3i5c s PHE 255 Cb -0.10 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 3i5c s PHE 255 CO 0.03 0.33 0.20 0.00 -0.10 0.00 0.00 175.22 175.68 3i5c s ALA 256 N -2.95 -0.33 -0.05 5.36 0.00 -0.52 -0.80 121.76 122.47 3i5c s ALA 256 Ca 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 3i5c s ALA 256 Cb 0.04 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3i5c s ALA 256 CO 0.13 -0.43 0.02 1.41 0.00 0.00 0.00 175.76 176.89 3i5c s MET 257 N -3.09 0.32 -0.11 0.00 1.75 -0.40 -0.49 119.30 117.29 3i5c s MET 257 Ca -0.01 0.18 -0.18 0.00 -1.25 0.00 0.00 55.69 54.43 3i5c s MET 257 Cb 0.01 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.93 3i5c s MET 257 CO -0.07 -0.27 0.48 0.08 -0.65 0.00 0.00 175.02 174.59 3i5c s VAL 258 N 1.80 5.17 -0.59 10.11 1.01 0.50 -0.83 120.40 137.58 3i5c s VAL 258 Ca 0.01 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.99 3i5c s VAL 258 Cb -0.12 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.60 3i5c s VAL 258 CO -0.04 0.34 0.41 -0.76 0.00 0.00 0.00 175.10 175.06 3i5c s LEU 259 N 0.49 3.67 0.56 3.92 1.43 0.54 -1.68 118.68 127.60 3i5c s LEU 259 Ca 0.26 -3.46 -0.21 0.00 -1.03 0.00 0.00 54.13 49.69 3i5c s LEU 259 Cb -0.15 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3i5c s LEU 259 CO 0.11 -0.14 1.27 -2.84 0.23 0.00 0.00 176.35 174.98 3i5c s PRO 260 N -0.79 3.13 -1.55 1.29 0.02 -1.26 -2.02 135.00 133.82 3i5c s PRO 260 Ca 0.26 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3i5c s PRO 260 Cb -0.06 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3i5c s PRO 260 CO -0.14 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3i5c n GLY 261 N 0.63 1.15 3.36 0.52 0.00 -0.05 -4.90 105.19 105.90 3i5c n GLY 261 Ca 0.12 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3i5c n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5c s THR 262 N -2.61 2.88 0.80 2.61 2.01 -0.80 -4.83 115.64 115.70 3i5c s THR 262 Ca 0.00 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 3i5c s THR 262 Cb 0.00 -2.18 0.07 0.00 0.01 0.00 0.00 72.50 70.40 3i5c s THR 262 CO 0.00 0.54 1.09 -0.94 -0.69 0.00 0.00 174.62 174.61 3i5c s SER 263 N 0.23 4.34 0.31 3.53 1.04 -1.26 -4.15 113.70 117.74 3i5c s SER 263 Ca -0.10 1.57 -0.00 0.00 0.48 0.00 0.00 55.95 57.90 3i5c s SER 263 Cb -0.16 -2.30 0.51 0.00 0.10 0.00 0.00 66.02 64.18 3i5c s SER 263 CO 0.06 -2.10 1.95 -0.65 0.98 0.00 0.00 173.24 173.48 3i5c h PRO 264 N -1.17 1.01 -0.41 4.02 0.11 -1.97 -0.51 132.00 133.08 3i5c h PRO 264 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3i5c h PRO 264 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3i5c h PRO 264 CO 0.55 0.67 0.15 0.78 -0.21 0.00 0.00 178.00 179.94 3i5c h GLY 265 N 1.04 0.67 1.03 -0.55 0.00 -1.99 -0.97 103.07 102.30 3i5c h GLY 265 Ca 0.33 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3i5c h GLY 265 CO -0.10 0.35 0.30 -1.33 0.00 0.00 0.00 176.54 175.77 3i5c h GLY 266 N 0.52 1.19 0.99 4.60 0.00 -1.81 -1.90 103.07 106.65 3i5c h GLY 266 Ca 0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3i5c h GLY 266 CO -0.01 0.61 0.11 0.00 0.00 0.00 0.00 176.54 177.24 3i5c h ALA 267 N 1.15 0.67 -0.68 3.60 0.00 -0.80 -1.81 119.26 121.40 3i5c h ALA 267 Ca 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i5c h ALA 267 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3i5c h ALA 267 CO -0.02 0.39 0.35 -0.09 0.00 0.00 0.00 179.25 179.88 3i5c h ARG 268 N 0.71 0.95 -0.30 0.00 2.43 -1.06 0.34 114.38 117.46 3i5c h ARG 268 Ca 0.16 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3i5c h ARG 268 Cb 0.36 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 3i5c h ARG 268 CO 0.01 0.73 -0.14 1.25 -1.51 0.00 0.00 179.97 180.31 3i5c h LEU 269 N 0.93 -0.46 -0.67 3.80 5.85 -1.01 0.54 115.31 124.29 3i5c h LEU 269 Ca 0.24 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3i5c h LEU 269 Cb 0.07 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3i5c h LEU 269 CO -0.03 -0.17 0.12 -0.07 -0.34 0.00 0.00 178.44 177.94 3i5c h LEU 270 N -0.09 1.06 -0.04 2.25 4.07 -0.88 -2.07 115.31 119.61 3i5c h LEU 270 Ca 0.15 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.86 3i5c h LEU 270 Cb 0.32 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 3i5c h LEU 270 CO -0.36 1.04 0.01 0.00 -1.08 0.00 0.00 178.44 178.06 3i5c h ALA 271 N 1.05 0.04 -0.98 1.53 0.00 -0.49 -0.71 119.26 119.71 3i5c h ALA 271 Ca 0.20 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3i5c h ALA 271 Cb 0.43 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3i5c h ALA 271 CO 0.01 -0.48 0.62 1.49 0.00 0.00 0.00 179.25 180.89 3i5c h GLU 272 N 0.02 1.02 -0.35 0.00 4.57 -0.75 0.00 114.58 119.10 3i5c h GLU 272 Ca 0.02 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3i5c h GLU 272 Cb 0.01 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3i5c h GLU 272 CO -0.02 0.67 0.19 -0.22 -1.18 0.00 0.00 179.01 178.46 3i5c h LYS 273 N 1.05 0.49 -0.33 1.92 3.64 -0.77 -0.05 116.57 122.51 3i5c h LYS 273 Ca 0.45 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 3i5c h LYS 273 Cb 0.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3i5c h LYS 273 CO -0.22 0.40 0.18 0.28 -2.27 0.00 0.00 179.45 177.82 3i5c h VAL 274 N 0.44 1.01 -0.37 2.00 2.07 -0.39 -1.02 116.25 119.99 3i5c h VAL 274 Ca 0.12 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3i5c h VAL 274 Cb 0.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3i5c h VAL 274 CO -0.02 0.07 0.21 -0.09 0.02 0.00 0.00 177.57 177.76 3i5c h ARG 275 N 0.37 0.41 -0.63 1.57 2.43 -0.56 -0.38 114.38 117.60 3i5c h ARG 275 Ca 0.13 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3i5c h ARG 275 Cb 0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3i5c h ARG 275 CO -0.08 0.27 0.24 -0.09 -1.51 0.00 0.00 179.97 178.81 3i5c h ARG 276 N 0.42 0.94 -0.54 0.20 2.43 -0.91 -2.18 114.38 114.74 3i5c h ARG 276 Ca 0.15 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3i5c h ARG 276 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3i5c h ARG 276 CO -0.08 0.80 -0.04 1.15 -1.51 0.00 0.00 179.97 180.28 3i5c h THR 277 N 0.88 1.27 -0.39 0.20 2.02 -0.65 -1.43 112.91 114.80 3i5c h THR 277 Ca 0.21 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3i5c h THR 277 Cb 0.22 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3i5c h THR 277 CO -0.02 0.42 0.24 0.58 0.37 0.00 0.00 175.52 177.12 3i5c h VAL 278 N 0.87 1.12 -0.33 3.16 2.07 -0.90 -2.77 116.25 119.47 3i5c h VAL 278 Ca 0.15 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3i5c h VAL 278 Cb 0.60 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3i5c h VAL 278 CO 0.04 0.11 -0.08 -0.08 0.02 0.00 0.00 177.57 177.58 3i5c h GLU 279 N 0.52 0.54 0.00 1.57 4.81 -1.16 -1.71 114.58 119.14 3i5c h GLU 279 Ca 0.14 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i5c h GLU 279 Cb -0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3i5c h GLU 279 CO -0.03 0.63 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 3i5c h SER 280 N 0.51 0.00 0.11 1.04 4.64 -1.00 -1.38 113.55 117.47 3i5c h SER 280 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3i5c h SER 280 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3i5c h SER 280 CO 0.02 0.00 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.90 3i5c h LEU 281 N 0.00 0.00 -3.50 5.97 3.38 -1.06 -3.46 115.31 116.63 3i5c h LEU 281 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3i5c h LEU 281 Cb 0.35 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.12 3i5c h LEU 281 CO 0.00 0.01 -0.98 0.00 0.09 0.00 0.00 178.44 177.57 3i5c n GLN 282 N -3.34 -0.80 -3.11 1.13 1.13 -0.52 -4.92 117.38 106.96 3i5c n GLN 282 Ca -0.03 0.26 -0.40 0.00 -1.94 0.00 0.00 57.00 54.89 3i5c n GLN 282 Cb 0.11 -3.34 -0.06 0.00 0.11 0.00 0.00 30.24 27.06 3i5c n GLN 282 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i5c s ILE 283 N -3.53 5.01 0.29 5.09 1.01 -1.26 -4.95 121.20 122.86 3i5c s ILE 283 Ca 0.46 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 3i5c s ILE 283 Cb -0.21 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 3i5c s ILE 283 CO 0.92 0.10 1.39 -0.44 0.00 0.00 0.00 174.94 176.91 3i5c s SER 284 N 1.21 6.67 -0.00 3.58 0.01 -1.26 0.03 113.70 123.93 3i5c s SER 284 Ca 0.29 2.71 -0.07 0.00 1.31 0.00 0.00 55.95 60.19 3i5c s SER 284 Cb -0.16 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3i5c s SER 284 CO 0.10 -0.65 0.15 -2.28 0.41 0.00 0.00 173.24 170.97 3i5c s HIS 285 N -0.54 0.01 -2.25 2.43 2.46 -0.29 -4.69 115.29 112.41 3i5c s HIS 285 Ca 0.55 -0.06 0.21 0.00 0.47 0.00 0.00 55.06 56.23 3i5c s HIS 285 Cb -0.41 -0.03 0.53 0.00 -0.13 0.00 0.00 32.58 32.53 3i5c s HIS 285 CO 0.49 -0.27 1.45 -0.40 -2.47 0.00 0.00 174.74 173.54 3i5c n ASP 286 N 1.61 3.11 -4.41 9.88 3.85 -1.26 -0.89 116.55 128.44 3i5c n ASP 286 Ca -0.22 -1.95 -0.33 0.00 -0.71 0.00 0.00 54.79 51.59 3i5c n ASP 286 Cb 0.56 -0.29 -0.14 0.00 -1.35 0.00 0.00 41.12 39.89 3i5c n ASP 286 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i5c s GLN 287 N -1.41 2.80 0.30 0.11 -1.52 -1.26 -2.29 119.66 116.38 3i5c s GLN 287 Ca 0.39 -0.73 0.25 0.00 -1.95 0.00 0.00 55.36 53.33 3i5c s GLN 287 Cb 0.21 -2.42 0.74 0.00 -0.22 0.00 0.00 33.01 31.32 3i5c s GLN 287 CO 0.29 0.45 1.74 -1.00 -0.25 0.00 0.00 175.29 176.52 3i5c h PRO 288 N 5.90 0.00 -4.15 2.91 0.14 -1.93 -3.42 132.00 131.44 3i5c h PRO 288 Ca -0.37 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 65.64 3i5c h PRO 288 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.17 3i5c h PRO 288 CO 0.51 0.00 -0.58 1.03 0.14 0.00 0.00 178.00 179.10 3i5c s ARG 289 N -3.19 0.76 0.35 0.86 0.52 -0.97 -5.12 118.95 112.16 3i5c s ARG 289 Ca 0.08 -1.20 -0.26 0.00 -0.52 0.00 0.00 55.73 53.84 3i5c s ARG 289 Cb 0.10 0.26 -0.13 0.00 0.52 0.00 0.00 34.95 35.70 3i5c s ARG 289 CO 0.59 -0.19 0.88 -2.30 0.02 0.00 0.00 175.30 174.30 3i5c n PRO 290 N 0.01 1.10 -1.15 3.54 -0.02 -1.12 -2.52 135.00 134.84 3i5c n PRO 290 Ca -0.12 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.71 3i5c n PRO 290 Cb 0.62 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 3i5c n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5c n GLY 291 N 1.38 0.68 3.94 -1.23 0.00 -1.23 -4.97 105.19 103.75 3i5c n GLY 291 Ca 0.10 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 3i5c n GLY 291 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i5c n SER 292 N 1.34 0.88 -4.20 1.61 7.64 -0.07 -4.92 113.62 115.89 3i5c n SER 292 Ca -0.04 -1.90 -0.13 0.00 1.01 0.00 0.00 58.87 57.81 3i5c n SER 292 Cb 0.15 -0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 3i5c n SER 292 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3i5c s HIS 293 N -3.47 1.08 0.25 1.43 3.76 -1.26 -1.14 115.29 115.95 3i5c s HIS 293 Ca 0.71 -0.75 -0.31 0.00 -0.15 0.00 0.00 55.06 54.56 3i5c s HIS 293 Cb -0.03 -0.58 -0.12 0.00 1.11 0.00 0.00 32.58 32.95 3i5c s HIS 293 CO 0.48 -0.01 1.62 -0.11 -0.85 0.00 0.00 174.74 175.87 3i5c n LEU 294 N 0.17 4.05 -4.27 0.89 0.00 0.10 -4.78 117.00 113.16 3i5c n LEU 294 Ca -0.13 1.12 -0.15 0.00 0.00 0.00 0.00 56.01 56.85 3i5c n LEU 294 Cb 0.59 -1.56 -0.10 0.00 0.00 0.00 0.00 43.42 42.35 3i5c n LEU 294 CO 0.29 0.07 -0.25 0.42 0.00 0.00 0.00 177.39 177.92 3i5c s THR 295 N 0.42 0.35 0.14 1.96 -4.23 -1.26 -4.38 115.64 108.64 3i5c s THR 295 Ca 0.69 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 3i5c s THR 295 Cb -0.53 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 3i5c s THR 295 CO 0.43 -0.03 -0.24 0.68 -0.54 0.00 0.00 174.62 174.91 3i5c s VAL 296 N -3.91 2.13 -0.02 2.29 -7.23 -1.26 -0.76 120.40 111.63 3i5c s VAL 296 Ca 0.37 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3i5c s VAL 296 Cb 0.07 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 3i5c s VAL 296 CO 0.12 -0.02 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.37 3i5c s SER 297 N -2.22 4.57 -0.03 4.85 0.01 -0.54 -3.14 113.70 117.20 3i5c s SER 297 Ca 0.14 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.30 3i5c s SER 297 Cb -0.09 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 65.07 3i5c s SER 297 CO 0.07 0.31 -0.07 -0.63 0.41 0.00 0.00 173.24 173.32 3i5c s ILE 298 N -0.92 0.69 -0.11 1.44 1.01 -0.49 -1.00 121.20 121.83 3i5c s ILE 298 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3i5c s ILE 298 Cb -0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3i5c s ILE 298 CO 0.05 0.23 -0.05 -0.83 0.00 0.00 0.00 174.94 174.34 3i5c s GLY 299 N 0.43 1.72 -0.10 6.18 0.00 0.04 0.20 107.32 115.79 3i5c s GLY 299 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3i5c s GLY 299 CO 0.01 -0.41 -0.13 0.14 0.00 0.00 0.00 173.10 172.71 3i5c s VAL 300 N -0.33 3.11 0.12 1.40 1.01 -0.77 -1.12 120.40 123.82 3i5c s VAL 300 Ca 0.05 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3i5c s VAL 300 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3i5c s VAL 300 CO 0.02 0.55 -0.09 -0.94 0.00 0.00 0.00 175.10 174.65 3i5c s SER 301 N -0.14 1.49 -0.17 3.32 1.04 -0.65 -2.08 113.70 116.51 3i5c s SER 301 Ca -0.01 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.28 3i5c s SER 301 Cb -0.13 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.07 3i5c s SER 301 CO 0.03 -0.39 0.44 0.28 0.98 0.00 0.00 173.24 174.58 3i5c s THR 302 N -3.41 -0.00 0.01 2.02 -1.32 -1.25 -1.15 115.64 110.54 3i5c s THR 302 Ca 0.14 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3i5c s THR 302 Cb 0.03 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3i5c s THR 302 CO -0.02 0.00 -0.00 -0.76 -2.21 0.00 0.00 174.62 171.63 3i5c s LEU 303 N 0.33 2.10 -0.33 9.08 1.43 -0.70 -4.95 118.68 125.65 3i5c s LEU 303 Ca -0.01 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 3i5c s LEU 303 Cb -0.03 0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 3i5c s LEU 303 CO -0.01 -0.26 0.43 -0.69 0.23 0.00 0.00 176.35 176.05 3i5c s VAL 304 N -1.22 5.11 0.18 -1.59 1.01 -1.26 -0.67 120.40 121.95 3i5c s VAL 304 Ca -0.13 0.24 -0.33 0.00 0.00 0.00 0.00 61.98 61.76 3i5c s VAL 304 Cb -0.08 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 3i5c s VAL 304 CO -0.01 -0.11 1.26 -2.65 0.00 0.00 0.00 175.10 173.60 3i5c n PRO 305 N 5.52 1.42 -3.24 2.72 -0.02 -1.26 -4.99 135.00 135.14 3i5c n PRO 305 Ca -0.07 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 3i5c n PRO 305 Cb 0.49 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3i5c n PRO 305 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i5c s GLY 306 N 0.16 1.67 0.00 -1.23 0.00 -1.26 -4.73 107.32 101.93 3i5c s GLY 306 Ca 0.73 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3i5c s GLY 306 CO 0.50 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.93 3i5c n GLY 307 N -1.81 0.44 7.00 0.20 0.00 -1.26 -4.65 105.19 105.11 3i5c n GLY 307 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3i5c n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5c n GLY 308 N 4.44 1.34 1.14 -0.02 0.00 -1.26 -3.04 105.19 107.80 3i5c n GLY 308 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.39 3i5c n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5c n GLY 309 N 0.00 1.83 3.70 -0.02 0.00 -1.26 -4.91 105.19 104.52 3i5c n GLY 309 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3i5c n GLY 309 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i5c s GLN 310 N -1.58 4.35 0.42 1.61 0.74 -1.17 -5.02 119.66 119.01 3i5c s GLN 310 Ca 0.37 1.81 0.06 0.00 0.05 0.00 0.00 55.36 57.65 3i5c s GLN 310 Cb 0.22 -3.49 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 3i5c s GLN 310 CO 0.20 -0.43 0.01 0.95 -0.55 0.00 0.00 175.29 175.47 3i5c s THR 311 N 1.90 1.86 -0.09 -0.34 -4.23 -1.26 -4.91 115.64 108.56 3i5c s THR 311 Ca 0.59 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.35 3i5c s THR 311 Cb -0.29 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 70.92 3i5c s THR 311 CO 0.26 0.00 1.75 2.19 -0.54 0.00 0.00 174.62 178.28 3i5c h PHE 312 N 1.72 0.00 0.00 3.99 -5.15 -1.94 -2.55 116.94 113.01 3i5c h PHE 312 Ca -0.44 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.29 3i5c h PHE 312 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.42 3i5c h PHE 312 CO 0.84 0.00 -0.18 0.00 -2.00 0.00 0.00 178.31 176.97 3i5c h ARG 313 N 0.00 0.00 -0.31 6.09 3.08 -1.99 -1.89 114.38 119.36 3i5c h ARG 313 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i5c h ARG 313 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3i5c h ARG 313 CO 0.00 0.18 -0.20 -0.24 -1.07 0.00 0.00 179.97 178.64 3i5c h VAL 314 N 0.00 1.26 -0.69 2.04 3.04 -1.87 -0.99 116.25 119.04 3i5c h VAL 314 Ca -0.00 -1.21 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 3i5c h VAL 314 Cb 0.46 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 3i5c h VAL 314 CO 0.02 0.39 0.38 0.25 -1.01 0.00 0.00 177.57 177.61 3i5c h LEU 315 N 0.51 0.85 -0.27 3.16 5.85 -1.53 -0.52 115.31 123.36 3i5c h LEU 315 Ca 0.08 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3i5c h LEU 315 Cb 0.63 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3i5c h LEU 315 CO 0.04 0.70 0.06 0.40 -0.34 0.00 0.00 178.44 179.31 3i5c h ILE 316 N 0.94 1.22 -0.83 4.05 2.04 -1.41 -1.61 117.51 121.90 3i5c h ILE 316 Ca 0.24 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.45 3i5c h ILE 316 Cb 0.03 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3i5c h ILE 316 CO -0.04 0.23 0.50 -0.33 0.00 0.00 0.00 178.15 178.52 3i5c h GLU 317 N 0.27 0.87 -0.40 2.37 5.08 -0.78 0.12 114.58 122.11 3i5c h GLU 317 Ca 0.08 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3i5c h GLU 317 Cb 0.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3i5c h GLU 317 CO 0.00 0.58 -0.30 0.52 -1.00 0.00 0.00 179.01 178.81 3i5c h MET 318 N 0.90 0.90 -0.70 2.33 2.86 -1.02 -0.91 114.93 119.29 3i5c h MET 318 Ca 0.37 -0.44 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3i5c h MET 318 Cb 0.22 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3i5c h MET 318 CO -0.19 1.09 0.22 0.00 1.06 0.00 0.00 176.91 179.09 3i5c h ALA 319 N 0.79 0.92 -0.48 6.32 0.00 -0.76 -1.18 119.26 124.88 3i5c h ALA 319 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3i5c h ALA 319 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3i5c h ALA 319 CO 0.08 0.60 0.17 -0.44 0.00 0.00 0.00 179.25 179.66 3i5c h ASP 320 N 1.04 0.63 -0.42 0.00 5.19 -0.58 0.76 116.42 123.04 3i5c h ASP 320 Ca 0.23 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 3i5c h ASP 320 Cb 0.30 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 3i5c h ASP 320 CO -0.01 0.58 -0.10 1.56 -3.12 0.00 0.00 179.24 178.15 3i5c h GLN 321 N 0.68 0.81 -0.86 3.56 4.20 -0.77 0.03 115.11 122.76 3i5c h GLN 321 Ca 0.16 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3i5c h GLN 321 Cb 0.16 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3i5c h GLN 321 CO -0.01 0.93 0.47 0.00 -0.67 0.00 0.00 178.83 179.55 3i5c h ALA 322 N 0.85 1.10 -0.63 3.87 0.00 -0.86 -2.05 119.26 121.54 3i5c h ALA 322 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i5c h ALA 322 Cb 0.64 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3i5c h ALA 322 CO 0.04 0.61 0.29 1.25 0.00 0.00 0.00 179.25 181.44 3i5c h LEU 323 N 1.20 0.84 -0.76 0.00 5.85 -0.62 -1.13 115.31 120.70 3i5c h LEU 323 Ca 0.30 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3i5c h LEU 323 Cb 0.03 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3i5c h LEU 323 CO -0.05 0.76 0.47 0.22 -0.34 0.00 0.00 178.44 179.50 3i5c h TYR 324 N 0.88 0.89 -0.33 1.25 3.20 -0.68 -1.03 116.97 121.15 3i5c h TYR 324 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3i5c h TYR 324 Cb 0.15 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3i5c h TYR 324 CO 0.01 0.49 0.22 1.96 -1.64 0.00 0.00 178.16 179.19 3i5c h GLN 325 N 0.91 0.43 -0.58 1.82 1.08 -0.64 0.19 115.11 118.33 3i5c h GLN 325 Ca 0.31 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.56 3i5c h GLN 325 Cb 0.05 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 3i5c h GLN 325 CO -0.13 0.29 0.26 0.00 -0.95 0.00 0.00 178.83 178.30 3i5c h ALA 326 N 1.12 0.75 -0.21 3.87 0.00 -0.79 -0.03 119.26 123.97 3i5c h ALA 326 Ca 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i5c h ALA 326 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i5c h ALA 326 CO -0.03 -0.13 -0.04 0.87 0.00 0.00 0.00 179.25 179.92 3i5c h LYS 327 N 0.47 0.40 0.00 0.00 1.57 -0.71 -1.55 116.57 116.75 3i5c h LYS 327 Ca 0.28 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3i5c h LYS 327 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3i5c h LYS 327 CO -0.24 0.64 0.00 -0.97 -0.57 0.00 0.00 179.45 178.31 3i5c h ASN 328 N 0.13 0.00 -0.09 0.86 -1.24 -0.26 -1.86 115.58 113.13 3i5c h ASN 328 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3i5c h ASN 328 Cb 0.49 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3i5c h ASN 328 CO 0.02 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.75 3i5c n ASN 329 N -2.63 2.08 0.00 1.15 5.03 -0.06 -4.90 115.26 115.93 3i5c n ASN 329 Ca 0.01 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.74 3i5c n ASN 329 Cb 0.22 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 3i5c n ASN 329 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i5c n GLY 330 N 1.24 0.45 0.86 7.41 0.00 -0.71 -5.06 105.19 109.37 3i5c n GLY 330 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3i5c n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5c n ARG 331 N 0.00 -1.74 -3.90 1.61 1.74 -0.61 -4.93 116.66 108.84 3i5c n ARG 331 Ca 0.00 1.16 -0.32 0.00 -0.77 0.00 0.00 57.85 57.92 3i5c n ARG 331 Cb 0.00 -2.11 0.01 0.00 -1.02 0.00 0.00 32.46 29.33 3i5c n ARG 331 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i5c n ASN 332 N -2.99 -2.81 -3.53 0.55 5.15 -1.19 -4.94 115.26 105.51 3i5c n ASN 332 Ca 0.00 -1.08 -0.03 0.00 -0.60 0.00 0.00 54.58 52.87 3i5c n ASN 332 Cb 0.39 -2.83 0.00 0.00 -0.53 0.00 0.00 39.78 36.82 3i5c n ASN 332 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i5c s GLN 333 N -6.55 1.22 -0.15 1.20 -2.07 -1.19 -5.00 119.66 107.11 3i5c s GLN 333 Ca 0.27 -0.74 -0.04 0.00 -1.82 0.00 0.00 55.36 53.04 3i5c s GLN 333 Cb -0.11 0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 3i5c s GLN 333 CO 0.90 -0.56 -0.04 0.08 -1.32 0.00 0.00 175.29 174.35 3i5c s VAL 334 N -2.62 3.89 0.17 3.63 1.01 -1.26 -1.39 120.40 123.82 3i5c s VAL 334 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3i5c s VAL 334 Cb -0.02 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3i5c s VAL 334 CO 0.04 0.49 0.15 -0.83 0.00 0.00 0.00 175.10 174.95 3i5c s GLY 335 N 0.36 1.68 0.01 4.51 0.00 0.13 -4.82 107.32 109.19 3i5c s GLY 335 Ca -0.04 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3i5c s GLY 335 CO 0.03 -1.23 -0.04 1.08 0.00 0.00 0.00 173.10 172.94 3i5c s LEU 336 N -3.19 2.10 0.00 0.66 1.02 -1.26 -1.84 118.68 116.17 3i5c s LEU 336 Ca 0.31 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.23 3i5c s LEU 336 Cb -0.10 -0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.00 3i5c s LEU 336 CO 0.24 -0.07 0.00 0.23 0.02 0.00 0.00 176.35 176.77