#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6r s ASN 162 N 0.00 0.04 0.22 7.72 3.84 -1.26 -5.02 114.94 120.48 3i6r s ASN 162 Ca 0.00 -0.39 -0.08 0.00 0.21 0.00 0.00 52.86 52.60 3i6r s ASN 162 Cb 0.00 0.30 0.17 0.00 -0.55 0.00 0.00 41.25 41.17 3i6r s ASN 162 CO 0.00 -0.58 1.80 -0.65 -2.79 0.00 0.00 177.10 174.88 3i6r h PRO 163 N 3.35 1.21 -0.46 0.43 0.10 -2.05 -2.49 132.00 132.09 3i6r h PRO 163 Ca -0.32 -0.19 0.09 0.00 0.10 0.00 0.00 66.00 65.68 3i6r h PRO 163 Cb 1.19 -0.21 -0.10 0.00 0.10 0.00 0.00 31.00 31.99 3i6r h PRO 163 CO 0.49 0.95 -0.27 0.93 0.10 0.00 0.00 178.00 180.20 3i6r h GLU 164 N 1.19 -0.17 -0.64 1.05 5.08 -1.99 0.39 114.58 119.49 3i6r h GLU 164 Ca 0.28 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3i6r h GLU 164 Cb 0.15 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3i6r h GLU 164 CO -0.03 -0.11 0.39 0.74 -1.00 0.00 0.00 179.01 179.00 3i6r h PHE 165 N -0.17 0.84 0.33 4.33 -1.00 -1.93 -2.57 116.94 116.76 3i6r h PHE 165 Ca 0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 3i6r h PHE 165 Cb 0.50 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3i6r h PHE 165 CO -0.52 0.56 -0.16 0.35 -1.61 0.00 0.00 178.31 176.93 3i6r h PHE 166 N 0.88 -0.41 -0.75 -0.55 3.04 -0.08 -1.88 116.94 117.19 3i6r h PHE 166 Ca 0.23 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.28 3i6r h PHE 166 Cb -0.04 0.13 -0.08 0.00 2.56 0.00 0.00 35.95 38.53 3i6r h PHE 166 CO 0.00 -0.11 0.37 -0.07 -2.02 0.00 0.00 178.31 176.49 3i6r h LEU 167 N -0.70 0.46 -0.73 0.59 4.07 -0.35 -2.42 115.31 116.23 3i6r h LEU 167 Ca -0.04 0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 3i6r h LEU 167 Cb 0.48 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3i6r h LEU 167 CO 0.07 0.24 -0.50 1.88 -1.08 0.00 0.00 178.44 179.06 3i6r h TYR 168 N 0.60 0.42 -0.12 1.13 0.05 -1.44 -2.36 116.97 115.24 3i6r h TYR 168 Ca 0.38 -0.14 -0.17 0.00 0.05 0.00 0.00 58.73 58.86 3i6r h TYR 168 Cb 0.45 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3i6r h TYR 168 CO -0.11 0.77 -0.62 -0.44 -1.05 0.00 0.00 178.16 176.71 3i6r h ASP 169 N 0.27 0.49 0.42 3.88 3.32 -0.92 0.23 116.42 124.12 3i6r h ASP 169 Ca 0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3i6r h ASP 169 Cb 0.98 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3i6r h ASP 169 CO 0.08 0.99 -0.26 0.40 -1.72 0.00 0.00 179.24 178.74 3i6r h ILE 170 N 0.32 0.46 -0.67 0.35 2.04 -1.45 -0.39 117.51 118.17 3i6r h ILE 170 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 3i6r h ILE 170 Cb 1.17 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.60 3i6r h ILE 170 CO 0.11 0.00 0.08 0.15 0.00 0.00 0.00 178.15 178.49 3i6r h PHE 171 N -0.65 0.10 -0.33 1.37 3.04 -1.25 -0.62 116.94 118.60 3i6r h PHE 171 Ca -0.04 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 3i6r h PHE 171 Cb 0.54 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 3i6r h PHE 171 CO -0.10 -0.13 -0.31 1.25 -2.02 0.00 0.00 178.31 177.01 3i6r h LEU 172 N 0.18 0.83 -1.34 0.59 6.46 -0.46 -1.68 115.31 119.90 3i6r h LEU 172 Ca 0.36 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 3i6r h LEU 172 Cb 0.60 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3i6r h LEU 172 CO -0.52 1.13 0.03 0.11 -0.62 0.00 0.00 178.44 178.57 3i6r h LYS 173 N 0.56 0.47 0.32 1.25 1.57 -0.66 0.16 116.57 120.24 3i6r h LYS 173 Ca 0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3i6r h LYS 173 Cb 0.88 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3i6r h LYS 173 CO 0.08 0.48 -0.15 0.35 -0.57 0.00 0.00 179.45 179.63 3i6r h PHE 174 N 0.46 -0.40 -0.93 -1.35 3.57 -0.97 -2.40 116.94 114.93 3i6r h PHE 174 Ca 0.11 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 3i6r h PHE 174 Cb 0.25 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3i6r h PHE 174 CO 0.01 -0.17 0.57 0.00 -2.23 0.00 0.00 178.31 176.49 3i6r h LEU 176 N 0.96 0.79 -0.09 0.00 5.85 -0.61 -0.38 115.31 121.84 3i6r h LEU 176 Ca 0.44 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 59.03 3i6r h LEU 176 Cb 0.34 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.23 3i6r h LEU 176 CO -0.23 0.48 -0.50 0.50 -0.34 0.00 0.00 178.44 178.36 3i6r h LYS 177 N 0.89 0.50 0.00 1.25 3.64 -0.62 -3.42 116.57 118.80 3i6r h LYS 177 Ca 0.39 -0.41 -0.37 0.00 -1.27 0.00 0.00 60.65 58.98 3i6r h LYS 177 Cb 0.34 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 3i6r h LYS 177 CO -0.16 1.05 -2.28 0.66 -2.27 0.00 0.00 179.45 176.45 3i6r n TYR 178 N -4.24 0.00 -3.29 1.91 4.01 -0.88 -5.04 117.16 109.63 3i6r n TYR 178 Ca -0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 3i6r n TYR 178 Cb 0.60 -0.83 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 3i6r n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3i6r s ILE 179 N -2.42 4.81 0.33 -0.72 -1.09 -0.17 -5.05 121.20 116.89 3i6r s ILE 179 Ca -0.32 0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 58.56 3i6r s ILE 179 Cb 0.11 -3.64 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 3i6r s ILE 179 CO 0.43 -0.07 1.17 -0.67 -1.23 0.00 0.00 174.94 174.56 3i6r n ASP 180 N -0.09 2.12 0.03 3.58 -0.08 -1.26 -4.73 116.55 116.12 3i6r n ASP 180 Ca 0.01 1.19 -0.11 0.00 -1.51 0.00 0.00 54.79 54.37 3i6r n ASP 180 Cb 0.53 -1.40 -0.05 0.00 2.34 0.00 0.00 41.12 42.54 3i6r n ASP 180 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3i6r h GLY 181 N 2.27 -0.06 1.61 0.27 0.00 -1.93 -1.29 103.07 103.95 3i6r h GLY 181 Ca -0.43 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3i6r h GLY 181 CO 0.61 -0.10 -0.05 -2.09 0.00 0.00 0.00 176.54 174.92 3i6r h GLU 182 N -0.13 0.48 -0.67 4.80 4.81 -1.92 -1.10 114.58 120.84 3i6r h GLU 182 Ca 0.05 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3i6r h GLU 182 Cb 0.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3i6r h GLU 182 CO -0.12 0.55 0.19 0.82 -0.73 0.00 0.00 179.01 179.71 3i6r h ILE 183 N 0.45 1.26 0.16 2.32 1.08 -1.86 -2.46 117.51 118.46 3i6r h ILE 183 Ca 0.09 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 3i6r h ILE 183 Cb 0.38 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 3i6r h ILE 183 CO 0.02 0.35 -0.08 0.00 -0.69 0.00 0.00 178.15 177.75 3i6r h HIS 185 N -0.28 -0.26 -0.48 0.00 -0.00 -1.19 -1.11 115.15 111.82 3i6r h HIS 185 Ca -0.02 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 3i6r h HIS 185 Cb 0.22 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 3i6r h HIS 185 CO -0.05 -0.21 0.00 -0.44 -0.00 0.00 0.00 177.93 177.23 3i6r h ASP 186 N -0.00 0.76 -0.42 3.26 3.32 -1.34 0.11 116.42 122.11 3i6r h ASP 186 Ca 0.23 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3i6r h ASP 186 Cb 0.36 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3i6r h ASP 186 CO -0.50 0.83 0.21 0.25 -1.72 0.00 0.00 179.24 178.31 3i6r h LEU 187 N 0.74 0.55 -0.54 1.55 5.85 -0.62 0.90 115.31 123.75 3i6r h LEU 187 Ca 0.15 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3i6r h LEU 187 Cb 0.45 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3i6r h LEU 187 CO 0.02 0.51 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.83 3i6r h PHE 188 N 0.55 0.68 -0.89 1.25 -1.00 -0.87 0.14 116.94 116.78 3i6r h PHE 188 Ca 0.15 -0.24 0.04 0.00 2.81 0.00 0.00 57.97 60.73 3i6r h PHE 188 Cb 0.10 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.48 3i6r h PHE 188 CO -0.01 0.96 0.58 -0.07 -1.61 0.00 0.00 178.31 178.16 3i6r h LEU 189 N 0.42 0.95 -0.37 1.54 3.38 -0.64 -1.74 115.31 118.84 3i6r h LEU 189 Ca 0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3i6r h LEU 189 Cb 1.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3i6r h LEU 189 CO 0.10 0.64 -0.58 0.25 0.09 0.00 0.00 178.44 178.94 3i6r h LEU 190 N 1.09 0.82 -0.81 1.67 5.85 -0.34 -1.31 115.31 122.28 3i6r h LEU 190 Ca 0.36 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3i6r h LEU 190 Cb 0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3i6r h LEU 190 CO -0.11 1.22 0.28 -0.07 -0.34 0.00 0.00 178.44 179.42 3i6r h LEU 191 N 0.55 1.08 -0.79 2.25 3.38 -0.80 -2.34 115.31 118.63 3i6r h LEU 191 Ca 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3i6r h LEU 191 Cb 1.17 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3i6r h LEU 191 CO 0.12 0.97 0.33 1.23 0.09 0.00 0.00 178.44 181.18 3i6r h GLY 192 N 1.14 1.27 1.13 0.83 0.00 -1.11 -1.49 103.07 104.84 3i6r h GLY 192 Ca 0.25 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3i6r h GLY 192 CO -0.02 0.64 0.34 1.70 0.00 0.00 0.00 176.54 179.21 3i6r h LYS 193 N 1.15 1.11 -0.01 4.80 3.64 -0.96 -0.56 116.57 125.74 3i6r h LYS 193 Ca 0.27 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i6r h LYS 193 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i6r h LYS 193 CO -0.02 0.88 -0.07 0.66 -2.27 0.00 0.00 179.45 178.62 3i6r n TYR 194 N -4.30 0.00 -2.79 1.91 4.02 -0.91 -4.93 117.16 110.16 3i6r n TYR 194 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.76 3i6r n TYR 194 Cb 0.16 -0.09 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 3i6r n TYR 194 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i6r n ASN 195 N -0.63 -5.71 -0.45 7.72 4.05 -0.22 -4.91 115.26 115.11 3i6r n ASN 195 Ca 0.17 -0.20 0.13 0.00 0.45 0.00 0.00 54.58 55.14 3i6r n ASN 195 Cb 0.27 -4.60 0.38 0.00 1.23 0.00 0.00 39.78 37.06 3i6r n ASN 195 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3i6r n ILE 196 N -4.31 0.00 -2.32 -1.44 -5.35 -0.80 -4.96 119.36 100.18 3i6r n ILE 196 Ca -0.14 -0.23 -0.35 0.00 -0.27 0.00 0.00 62.75 61.76 3i6r n ILE 196 Cb 0.63 0.63 -0.01 0.00 -1.74 0.00 0.00 39.64 39.15 3i6r n ILE 196 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6r s LEU 197 N -2.22 3.80 0.47 7.28 1.43 -1.26 -5.01 118.68 123.18 3i6r s LEU 197 Ca 0.30 2.14 -0.23 0.00 -1.03 0.00 0.00 54.13 55.32 3i6r s LEU 197 Cb 0.20 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 3i6r s LEU 197 CO 0.42 -1.09 1.22 -2.16 0.23 0.00 0.00 176.35 174.96 3i6r s PRO 198 N -3.19 3.69 -0.09 1.29 0.04 -1.26 -5.07 135.00 130.40 3i6r s PRO 198 Ca 0.71 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 3i6r s PRO 198 Cb -0.23 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 3i6r s PRO 198 CO 0.26 -0.65 0.02 0.71 0.04 0.00 0.00 177.00 177.39 3i6r s TYR 199 N -1.46 3.22 -0.58 0.56 4.12 -1.26 -4.38 117.35 117.57 3i6r s TYR 199 Ca 0.64 0.23 -0.19 0.00 0.02 0.00 0.00 57.07 57.77 3i6r s TYR 199 Cb -0.32 -1.81 0.09 0.00 -1.52 0.00 0.00 41.96 38.40 3i6r s TYR 199 CO 0.39 0.50 0.72 0.34 0.02 0.00 0.00 175.55 177.52 3i6r s ASP 200 N -0.88 6.19 -0.01 2.29 2.15 0.23 -4.92 116.67 121.73 3i6r s ASP 200 Ca 0.13 -1.25 0.19 0.00 0.43 0.00 0.00 52.55 52.05 3i6r s ASP 200 Cb -0.11 -2.32 0.55 0.00 -0.30 0.00 0.00 42.92 40.74 3i6r s ASP 200 CO 0.02 -1.11 1.46 0.35 -0.17 0.00 0.00 175.17 175.72 3i6r n THR 201 N 5.62 0.87 -2.38 1.71 -2.24 -1.26 -4.61 114.28 111.98 3i6r n THR 201 Ca -0.08 -0.84 -0.38 0.00 -2.27 0.00 0.00 64.05 60.48 3i6r n THR 201 Cb 0.43 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3i6r n THR 201 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i6r s SER 202 N -0.99 6.72 0.13 3.42 1.04 -1.26 -4.99 113.70 117.77 3i6r s SER 202 Ca 0.41 2.26 -0.31 0.00 0.48 0.00 0.00 55.95 58.79 3i6r s SER 202 Cb 0.22 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.64 3i6r s SER 202 CO 0.28 -0.53 1.46 0.20 0.98 0.00 0.00 173.24 175.62 3i6r s ASN 203 N -1.18 6.73 0.37 7.02 0.01 -1.26 -5.01 114.94 121.62 3i6r s ASN 203 Ca 0.55 2.44 -0.25 0.00 -0.71 0.00 0.00 52.86 54.89 3i6r s ASN 203 Cb -0.29 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.69 3i6r s ASN 203 CO 0.37 -0.72 1.02 -1.81 -1.51 0.00 0.00 177.10 174.44 3i6r s ASP 204 N 1.12 6.97 0.13 -1.22 1.01 -1.26 -4.98 116.67 118.44 3i6r s ASP 204 Ca 0.67 1.97 -0.31 0.00 0.71 0.00 0.00 52.55 55.59 3i6r s ASP 204 Cb -0.40 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 40.85 3i6r s ASP 204 CO 0.31 -0.34 1.79 -0.55 0.21 0.00 0.00 175.17 176.58 3i6r s SER 205 N -1.57 6.43 0.35 0.27 0.15 -1.26 -4.87 113.70 113.20 3i6r s SER 205 Ca 0.55 2.75 0.27 0.00 0.70 0.00 0.00 55.95 60.22 3i6r s SER 205 Cb -0.21 -2.57 1.16 0.00 -1.71 0.00 0.00 66.02 62.68 3i6r s SER 205 CO 0.26 -0.98 1.80 0.16 1.20 0.00 0.00 173.24 175.68 3i6r h ILE 206 N 4.53 0.00 -0.09 6.45 3.07 -1.93 -1.84 117.51 127.69 3i6r h ILE 206 Ca -0.45 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3i6r h ILE 206 Cb 1.21 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 3i6r h ILE 206 CO 0.95 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.83 3i6r n TYR 207 N -2.47 0.12 -0.60 0.16 4.02 -1.26 -3.56 117.16 113.56 3i6r n TYR 207 Ca 0.01 -0.06 0.04 0.00 -0.01 0.00 0.00 57.90 57.88 3i6r n TYR 207 Cb 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.59 3i6r n TYR 207 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i6r n ALA 208 N -0.10 2.01 -1.33 -0.72 0.00 -0.69 -0.39 120.51 119.29 3i6r n ALA 208 Ca 0.16 -1.56 -0.35 0.00 0.00 0.00 0.00 53.44 51.69 3i6r n ALA 208 Cb 0.24 -0.17 0.09 0.00 0.00 0.00 0.00 19.45 19.61 3i6r n ALA 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6r s THR 210 N -1.84 0.00 0.05 0.00 -1.32 -1.09 -4.38 115.64 107.05 3i6r s THR 210 Ca 0.73 -1.36 -0.20 0.00 -1.21 0.00 0.00 61.69 59.66 3i6r s THR 210 Cb -0.34 -2.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.50 3i6r s THR 210 CO 0.50 0.00 0.45 0.54 -2.21 0.00 0.00 174.62 173.91 3i6r s ASN 211 N -3.01 -0.34 -0.19 8.08 4.22 -1.26 -0.85 114.94 121.58 3i6r s ASN 211 Ca 0.21 0.06 -0.00 0.00 -2.14 0.00 0.00 52.86 50.99 3i6r s ASN 211 Cb -0.01 0.45 0.05 0.00 1.28 0.00 0.00 41.25 43.02 3i6r s ASN 211 CO 0.09 -0.69 -0.05 -0.63 -2.04 0.00 0.00 177.10 173.78 3i6r s ILE 212 N -2.49 1.23 0.00 0.54 1.01 -0.12 -4.95 121.20 116.42 3i6r s ILE 212 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3i6r s ILE 212 Cb -0.01 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3i6r s ILE 212 CO -0.02 0.04 0.00 0.29 0.00 0.00 0.00 174.94 175.25 3i6r n LYS 213 N 4.82 0.00 -0.77 2.79 5.02 -1.26 -1.16 118.16 127.59 3i6r n LYS 213 Ca -0.12 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.02 3i6r n LYS 213 Cb 0.47 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.56 3i6r n LYS 213 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i6r n HIS 214 N 14.00 1.75 -3.86 2.13 8.25 -1.26 -4.80 115.22 131.43 3i6r n HIS 214 Ca 0.00 -1.52 -0.36 0.00 -0.26 0.00 0.00 57.72 55.59 3i6r n HIS 214 Cb 0.00 -0.76 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 3i6r n HIS 214 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3i6r s LEU 215 N -1.93 3.18 -0.16 2.41 2.96 -0.31 -5.08 118.68 119.74 3i6r s LEU 215 Ca 0.33 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3i6r s LEU 215 Cb 0.27 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3i6r s LEU 215 CO 0.04 -0.02 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.15 3i6r s ASP 216 N 1.48 4.14 -0.23 3.68 -0.00 -1.26 -0.95 116.67 123.53 3i6r s ASP 216 Ca 0.06 -0.34 -0.06 0.00 -0.00 0.00 0.00 52.55 52.21 3i6r s ASP 216 Cb -0.15 -1.66 -0.02 0.00 -0.00 0.00 0.00 42.92 41.09 3i6r s ASP 216 CO 0.00 0.10 0.02 -0.36 -0.00 0.00 0.00 175.17 174.93 3i6r s PHE 217 N 0.76 3.03 0.51 4.23 0.08 -0.03 -4.91 117.98 121.66 3i6r s PHE 217 Ca -0.04 -0.58 0.34 0.00 0.12 0.00 0.00 56.93 56.77 3i6r s PHE 217 Cb -0.15 -2.15 1.84 0.00 -0.57 0.00 0.00 43.02 41.99 3i6r s PHE 217 CO 0.01 -0.37 2.21 -0.84 -0.10 0.00 0.00 175.22 176.13 3i6r h ILE 218 N 5.54 0.35 -3.43 0.64 3.07 -1.83 -2.88 117.51 118.95 3i6r h ILE 218 Ca -0.38 -0.22 -0.04 0.00 1.55 0.00 0.00 64.86 65.76 3i6r h ILE 218 Cb 1.17 1.16 -0.11 0.00 -0.27 0.00 0.00 36.82 38.77 3i6r h ILE 218 CO 0.60 0.04 -0.06 0.54 -1.05 0.00 0.00 178.15 178.21 3i6r s ASN 219 N -5.83 -0.20 -0.00 2.16 2.20 -1.26 -4.47 114.94 107.53 3i6r s ASN 219 Ca -0.04 -0.49 0.02 0.00 -0.94 0.00 0.00 52.86 51.41 3i6r s ASN 219 Cb 0.13 0.52 0.06 0.00 -2.00 0.00 0.00 41.25 39.96 3i6r s ASN 219 CO 0.52 -0.96 0.96 -0.81 -2.94 0.00 0.00 177.10 173.88 3i6r n PRO 220 N -0.28 1.17 -5.22 3.55 -0.04 -1.25 -4.63 135.00 128.31 3i6r n PRO 220 Ca -0.12 -0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 62.80 3i6r n PRO 220 Cb 0.63 -1.14 -0.17 0.00 -0.04 0.00 0.00 33.50 32.78 3i6r n PRO 220 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i6r s PHE 221 N -1.78 2.55 0.19 0.54 0.08 -1.26 -0.04 117.98 118.26 3i6r s PHE 221 Ca 0.04 -1.02 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 3i6r s PHE 221 Cb 0.02 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3i6r s PHE 221 CO 0.03 -0.40 0.11 0.20 -0.10 0.00 0.00 175.22 175.06 3i6r s GLY 222 N 0.29 1.39 -0.16 4.36 0.00 -0.39 -0.36 107.32 112.46 3i6r s GLY 222 Ca -0.17 -1.68 -0.16 0.00 0.00 0.00 0.00 44.72 42.71 3i6r s GLY 222 CO 0.08 -1.42 0.38 0.14 0.00 0.00 0.00 173.10 172.29 3i6r s VAL 223 N -4.09 5.24 0.93 1.40 1.01 -0.37 -0.05 120.40 124.47 3i6r s VAL 223 Ca 0.36 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.94 3i6r s VAL 223 Cb 0.07 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.89 3i6r s VAL 223 CO 0.10 0.33 1.09 0.00 0.00 0.00 0.00 175.10 176.62 3i6r s ALA 224 N 0.77 1.30 0.70 5.51 0.00 -1.16 -1.41 121.76 127.46 3i6r s ALA 224 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 3i6r s ALA 224 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3i6r s ALA 224 CO 0.07 -2.56 1.22 0.00 0.00 0.00 0.00 175.76 174.49 3i6r s ALA 225 N -2.90 2.21 0.00 0.00 0.00 -1.19 -3.67 121.76 116.20 3i6r s ALA 225 Ca 0.64 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3i6r s ALA 225 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3i6r s ALA 225 CO 0.58 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3i6r n GLY 226 N 0.49 0.67 0.09 0.00 0.00 0.15 -4.88 105.19 101.71 3i6r n GLY 226 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3i6r n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i6r h PHE 227 N 0.00 0.00 -2.30 1.61 3.57 -1.74 -3.40 116.94 114.68 3i6r h PHE 227 Ca 0.00 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.87 3i6r h PHE 227 Cb 0.00 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 38.34 3i6r h PHE 227 CO 0.00 0.94 -0.37 -3.47 -2.23 0.00 0.00 178.31 173.17 3i6r n ASP 228 N -4.51 4.31 -0.26 0.41 -0.08 -1.26 -4.92 116.55 110.24 3i6r n ASP 228 Ca -0.22 -3.48 0.32 0.00 -1.51 0.00 0.00 54.79 49.90 3i6r n ASP 228 Cb 0.52 -0.75 0.74 0.00 2.34 0.00 0.00 41.12 43.97 3i6r n ASP 228 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3i6r h LYS 229 N 4.18 0.00 -0.09 -0.67 1.57 -1.78 -2.27 116.57 117.52 3i6r h LYS 229 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3i6r h LYS 229 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3i6r h LYS 229 CO 0.91 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.88 3i6r n ASN 230 N -4.16 1.97 -3.52 0.86 3.02 -1.26 -2.86 115.26 109.31 3i6r n ASN 230 Ca 0.22 -1.62 -0.23 0.00 -0.03 0.00 0.00 54.58 52.92 3i6r n ASN 230 Cb 1.14 -0.06 0.08 0.00 -0.61 0.00 0.00 39.78 40.33 3i6r n ASN 230 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6r n GLY 231 N 0.16 -0.51 0.06 7.41 0.00 -0.86 -4.65 105.19 106.80 3i6r n GLY 231 Ca 0.05 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.42 3i6r n GLY 231 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i6r n VAL 232 N -4.94 0.32 -2.39 1.61 0.24 -1.26 -4.44 118.33 107.47 3i6r n VAL 232 Ca 0.00 -0.21 0.01 0.00 -2.04 0.00 0.00 64.34 62.10 3i6r n VAL 232 Cb 0.56 -0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3i6r n VAL 232 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6r h ILE 234 N 6.51 1.25 -0.44 0.00 2.04 -1.95 -2.80 117.51 122.11 3i6r h ILE 234 Ca -0.31 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3i6r h ILE 234 Cb 1.78 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 3i6r h ILE 234 CO 0.01 0.32 0.26 0.44 0.00 0.00 0.00 178.15 179.18 3i6r h ASP 235 N 0.64 0.54 -0.24 1.72 3.45 -1.93 -2.27 116.42 118.34 3i6r h ASP 235 Ca 0.14 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 3i6r h ASP 235 Cb 0.40 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3i6r h ASP 235 CO 0.01 0.45 -0.17 0.28 -1.57 0.00 0.00 179.24 178.24 3i6r h SER 236 N 0.59 0.57 -0.61 6.45 0.02 -1.81 -1.82 113.55 116.94 3i6r h SER 236 Ca 0.16 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 3i6r h SER 236 Cb 0.02 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3i6r h SER 236 CO -0.03 0.89 0.33 0.40 -1.14 0.00 0.00 176.83 177.28 3i6r h ILE 237 N 0.26 1.20 -0.35 3.27 2.04 -1.44 -2.40 117.51 120.09 3i6r h ILE 237 Ca 0.05 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.42 3i6r h ILE 237 Cb 0.70 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3i6r h ILE 237 CO 0.05 0.21 0.22 -0.07 0.00 0.00 0.00 178.15 178.56 3i6r h LEU 238 N 0.82 0.37 0.00 1.44 3.38 -1.33 -2.42 115.31 117.56 3i6r h LEU 238 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i6r h LEU 238 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i6r h LEU 238 CO -0.03 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.05 3i6r n LYS 239 N -4.87 0.15 0.00 1.13 5.02 -0.69 -0.96 118.16 117.94 3i6r n LYS 239 Ca -0.00 0.19 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3i6r n LYS 239 Cb 0.04 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 33.90 3i6r n LYS 239 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i6r n LEU 240 N -1.29 0.00 0.00 -0.35 4.77 -0.91 -0.60 117.00 118.62 3i6r n LEU 240 Ca 0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3i6r n LEU 240 Cb 0.08 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3i6r n LEU 240 CO 0.08 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3i6r n GLY 241 N -0.03 1.57 3.85 -0.72 0.00 -0.13 -4.32 105.19 105.42 3i6r n GLY 241 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3i6r n GLY 241 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i6r s PHE 242 N -2.00 3.56 -0.04 1.61 0.40 -0.36 -4.80 117.98 116.35 3i6r s PHE 242 Ca 0.00 0.97 0.12 0.00 -0.60 0.00 0.00 56.93 57.42 3i6r s PHE 242 Cb 0.00 -2.31 -0.10 0.00 0.51 0.00 0.00 43.02 41.12 3i6r s PHE 242 CO 0.00 0.41 1.22 0.66 0.70 0.00 0.00 175.22 178.21 3i6r h SER 243 N 3.34 0.00 -5.12 1.36 4.64 -0.96 -3.44 113.55 113.38 3i6r h SER 243 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 3i6r h SER 243 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 3i6r h SER 243 CO 0.67 0.75 -0.12 0.72 -0.87 0.00 0.00 176.83 177.97 3i6r s PHE 244 N -2.83 -0.04 0.00 4.77 -0.12 -1.23 -1.21 117.98 117.32 3i6r s PHE 244 Ca 0.01 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 3i6r s PHE 244 Cb 0.09 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.67 3i6r s PHE 244 CO 0.79 -0.74 -0.05 -1.50 -0.05 0.00 0.00 175.22 173.67 3i6r s ILE 245 N -3.85 0.42 -0.56 -4.49 2.07 -0.66 -1.24 121.20 112.89 3i6r s ILE 245 Ca 0.07 -0.31 -0.07 0.00 -1.41 0.00 0.00 60.65 58.93 3i6r s ILE 245 Cb 0.02 -0.37 0.15 0.00 0.13 0.00 0.00 42.46 42.38 3i6r s ILE 245 CO -0.08 0.06 0.42 -0.70 -1.91 0.00 0.00 174.94 172.74 3i6r s GLU 246 N -0.27 2.61 0.94 3.50 2.12 -0.50 -1.05 118.70 126.03 3i6r s GLU 246 Ca 0.01 -2.12 -0.12 0.00 0.36 0.00 0.00 54.97 53.10 3i6r s GLU 246 Cb -0.03 -3.89 0.15 0.00 0.26 0.00 0.00 34.13 30.62 3i6r s GLU 246 CO -0.00 -1.19 1.10 0.96 -0.54 0.00 0.00 175.26 175.59 3i6r s ILE 247 N 0.70 2.39 0.00 -3.70 -4.36 -0.54 -3.18 121.20 112.50 3i6r s ILE 247 Ca 0.11 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 3i6r s ILE 247 Cb -0.21 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.85 3i6r s ILE 247 CO -0.03 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.59 3i6r n GLY 248 N -1.23 -1.82 3.75 6.27 0.00 -1.13 -0.36 105.19 110.67 3i6r n GLY 248 Ca 0.06 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3i6r n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6r s THR 249 N 0.00 3.12 0.24 2.61 2.01 -1.26 0.30 115.64 122.65 3i6r s THR 249 Ca 0.00 0.99 0.07 0.00 0.31 0.00 0.00 61.69 63.05 3i6r s THR 249 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3i6r s THR 249 CO 0.00 0.18 0.19 0.27 -0.69 0.00 0.00 174.62 174.57 3i6r s ILE 250 N -0.35 4.45 0.12 1.82 -4.36 -0.35 -4.80 121.20 117.73 3i6r s ILE 250 Ca 0.53 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.62 3i6r s ILE 250 Cb -0.37 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 39.92 3i6r s ILE 250 CO 0.42 -0.31 -0.10 0.42 0.24 0.00 0.00 174.94 175.62 3i6r s THR 251 N -2.06 1.01 0.24 8.37 -4.23 -1.26 -0.17 115.64 117.54 3i6r s THR 251 Ca 0.32 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 3i6r s THR 251 Cb -0.08 -1.58 0.20 0.00 1.34 0.00 0.00 72.50 72.38 3i6r s THR 251 CO 0.25 -0.65 1.84 -0.65 -0.54 0.00 0.00 174.62 174.87 3i6r h PRO 252 N 3.22 1.18 -5.85 3.99 0.11 -1.85 0.45 132.00 133.24 3i6r h PRO 252 Ca -0.37 -0.16 -0.68 0.00 0.11 0.00 0.00 66.00 64.90 3i6r h PRO 252 Cb 1.19 -0.22 -0.27 0.00 0.11 0.00 0.00 31.00 31.81 3i6r h PRO 252 CO 0.58 0.89 -0.80 1.03 -0.21 0.00 0.00 178.00 179.49 3i6r s ARG 253 N -5.70 2.85 0.42 1.05 0.52 -1.26 -3.01 118.95 113.82 3i6r s ARG 253 Ca -0.12 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.08 3i6r s ARG 253 Cb 0.17 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 3i6r s ARG 253 CO 0.83 0.40 1.35 0.20 0.02 0.00 0.00 175.30 178.10 3i6r s GLY 254 N -0.17 2.92 0.05 -3.53 0.00 -1.26 -4.58 107.32 100.75 3i6r s GLY 254 Ca -0.01 1.32 0.05 0.00 0.00 0.00 0.00 44.72 46.07 3i6r s GLY 254 CO 0.03 1.92 -0.13 1.20 0.00 0.00 0.00 173.10 176.12 3i6r s GLN 255 N -2.31 0.84 0.29 2.90 -0.21 -0.40 -4.89 119.66 115.88 3i6r s GLN 255 Ca 0.58 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 55.18 3i6r s GLN 255 Cb -0.40 -0.83 0.45 0.00 1.00 0.00 0.00 33.01 33.22 3i6r s GLN 255 CO 0.52 0.20 1.79 1.79 -2.12 0.00 0.00 175.29 177.46 3i6r h THR 256 N 4.46 1.23 0.00 -0.19 1.35 -1.88 -2.51 112.91 115.36 3i6r h THR 256 Ca -0.38 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3i6r h THR 256 Cb 1.19 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3i6r h THR 256 CO 0.43 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3i6r n GLY 257 N -0.65 -2.17 3.56 5.82 0.00 -1.26 -4.58 105.19 105.91 3i6r n GLY 257 Ca 0.01 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3i6r n GLY 257 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i6r s ASN 258 N -3.27 1.41 0.31 1.61 0.01 0.16 -4.97 114.94 110.20 3i6r s ASN 258 Ca 0.00 1.18 -0.29 0.00 -0.71 0.00 0.00 52.86 53.04 3i6r s ASN 258 Cb 0.00 -1.83 -0.10 0.00 0.41 0.00 0.00 41.25 39.73 3i6r s ASN 258 CO 0.00 -3.88 1.27 0.00 -1.51 0.00 0.00 177.10 172.98 3i6r s ALA 259 N -2.73 3.49 0.25 0.60 0.00 -1.26 -4.97 121.76 117.14 3i6r s ALA 259 Ca 0.67 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.61 3i6r s ALA 259 Cb -0.20 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 3i6r s ALA 259 CO 0.60 -0.55 0.77 0.15 0.00 0.00 0.00 175.76 176.74 3i6r s LYS 260 N -1.50 4.29 0.31 0.00 1.02 -1.26 -4.07 119.74 118.53 3i6r s LYS 260 Ca 0.49 0.94 -0.23 0.00 0.02 0.00 0.00 55.97 57.19 3i6r s LYS 260 Cb -0.38 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 3i6r s LYS 260 CO 0.49 0.34 0.88 -1.25 -0.92 0.00 0.00 175.35 174.89 3i6r s PRO 261 N -2.11 4.43 0.00 -1.68 0.04 -1.26 -5.15 135.00 129.27 3i6r s PRO 261 Ca 0.46 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3i6r s PRO 261 Cb -0.16 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3i6r s PRO 261 CO 0.21 0.26 0.49 2.89 0.04 0.00 0.00 177.00 180.89 3i6r n ARG 262 N 0.41 0.32 -4.29 4.56 1.85 -1.26 -5.00 116.66 113.25 3i6r n ARG 262 Ca 0.02 -0.54 -0.27 0.00 -1.00 0.00 0.00 57.85 56.05 3i6r n ARG 262 Cb 0.51 -0.57 -0.17 0.00 -1.05 0.00 0.00 32.46 31.18 3i6r n ARG 262 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3i6r s ILE 263 N -0.12 1.28 -0.05 8.89 1.01 -1.26 -1.17 121.20 129.79 3i6r s ILE 263 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3i6r s ILE 263 Cb 0.00 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.27 3i6r s ILE 263 CO 0.00 0.40 -0.10 -0.36 0.00 0.00 0.00 174.94 174.88 3i6r s PHE 264 N 1.16 1.20 0.18 3.97 0.40 -0.32 -4.54 117.98 120.03 3i6r s PHE 264 Ca -0.04 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3i6r s PHE 264 Cb -0.14 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 3i6r s PHE 264 CO -0.03 -0.19 0.21 1.03 0.70 0.00 0.00 175.22 176.94 3i6r s ARG 265 N 0.48 3.12 -0.29 0.44 0.52 -1.26 -0.92 118.95 121.03 3i6r s ARG 265 Ca -0.09 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 3i6r s ARG 265 Cb -0.13 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.68 3i6r s ARG 265 CO 0.02 0.48 0.09 0.34 0.02 0.00 0.00 175.30 176.25 3i6r s ASP 266 N -3.30 3.87 0.19 0.23 2.15 0.43 -4.99 116.67 115.26 3i6r s ASP 266 Ca 0.33 -1.51 -0.12 0.00 0.43 0.00 0.00 52.55 51.68 3i6r s ASP 266 Cb -0.10 -0.82 0.14 0.00 -0.30 0.00 0.00 42.92 41.84 3i6r s ASP 266 CO 0.26 -0.40 1.84 0.58 -0.17 0.00 0.00 175.17 177.28 3i6r h VAL 267 N 6.50 1.11 -0.70 1.11 2.07 -1.96 -1.04 116.25 123.33 3i6r h VAL 267 Ca -0.14 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.19 3i6r h VAL 267 Cb 1.03 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3i6r h VAL 267 CO 0.45 0.14 0.35 -0.08 0.02 0.00 0.00 177.57 178.46 3i6r h GLU 268 N 0.79 0.59 -0.39 1.57 4.57 -1.96 -1.11 114.58 118.64 3i6r h GLU 268 Ca 0.24 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3i6r h GLU 268 Cb -0.02 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3i6r h GLU 268 CO -0.08 0.39 0.00 -1.13 -1.18 0.00 0.00 179.01 177.01 3i6r n SER 269 N -4.85 3.16 -3.88 1.04 3.41 -1.15 -4.98 113.62 106.36 3i6r n SER 269 Ca 0.10 -1.95 -0.37 0.00 -0.26 0.00 0.00 58.87 56.39 3i6r n SER 269 Cb 0.25 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3i6r n SER 269 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i6r n ARG 270 N 1.28 -0.76 -3.99 4.33 1.74 -0.42 -4.24 116.66 114.61 3i6r n ARG 270 Ca 0.19 0.34 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 3i6r n ARG 270 Cb 0.55 -3.06 -0.11 0.00 -1.02 0.00 0.00 32.46 28.83 3i6r n ARG 270 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3i6r s SER 271 N -3.41 0.26 0.04 0.55 0.01 -0.80 -1.86 113.70 108.50 3i6r s SER 271 Ca 0.40 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.15 3i6r s SER 271 Cb -0.19 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 3i6r s SER 271 CO 0.92 -0.38 -0.18 -0.63 0.41 0.00 0.00 173.24 173.39 3i6r s ILE 272 N -2.00 1.41 0.04 1.44 1.01 -0.28 -0.43 121.20 122.38 3i6r s ILE 272 Ca -0.11 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.53 3i6r s ILE 272 Cb -0.06 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3i6r s ILE 272 CO -0.03 0.12 -0.23 -0.51 0.00 0.00 0.00 174.94 174.29 3i6r s ILE 273 N -0.81 1.89 0.04 2.92 2.07 -0.10 0.13 121.20 127.34 3i6r s ILE 273 Ca 0.05 -1.25 -0.08 0.00 -1.41 0.00 0.00 60.65 57.95 3i6r s ILE 273 Cb -0.08 -1.62 -0.00 0.00 0.13 0.00 0.00 42.46 40.89 3i6r s ILE 273 CO 0.01 0.31 0.16 0.54 -1.91 0.00 0.00 174.94 174.06 3i6r s ASN 274 N -1.13 0.08 -0.39 4.50 2.20 -0.79 -1.17 114.94 118.24 3i6r s ASN 274 Ca 0.09 -0.43 0.10 0.00 -0.94 0.00 0.00 52.86 51.69 3i6r s ASN 274 Cb -0.09 0.27 0.32 0.00 -2.00 0.00 0.00 41.25 39.75 3i6r s ASN 274 CO 0.02 -0.54 0.77 -1.54 -2.94 0.00 0.00 177.10 172.86 3i6r n SER 275 N 0.71 -0.01 -0.10 3.54 3.41 -0.32 -1.72 113.62 119.13 3i6r n SER 275 Ca -0.19 -3.08 -0.10 0.00 -0.26 0.00 0.00 58.87 55.23 3i6r n SER 275 Cb 0.59 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3i6r n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6r n GLY 277 N -0.49 0.18 3.85 0.00 0.00 -1.26 -0.66 105.19 106.80 3i6r n GLY 277 Ca -0.02 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3i6r n GLY 277 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i6r n PHE 278 N -2.15 -2.29 -1.88 1.61 0.99 -1.26 -4.27 117.46 108.22 3i6r n PHE 278 Ca -0.10 0.91 -0.42 0.00 -0.00 0.00 0.00 57.45 57.84 3i6r n PHE 278 Cb 0.56 -4.16 -0.02 0.00 -1.00 0.00 0.00 39.48 34.85 3i6r n PHE 278 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3i6r s ASN 279 N -3.51 6.51 -0.19 4.37 4.22 -1.26 -4.55 114.94 120.53 3i6r s ASN 279 Ca 0.53 2.76 -0.31 0.00 -2.14 0.00 0.00 52.86 53.70 3i6r s ASN 279 Cb -0.26 -2.61 0.15 0.00 1.28 0.00 0.00 41.25 39.80 3i6r s ASN 279 CO 0.82 -0.84 1.15 0.54 -2.04 0.00 0.00 177.10 176.73 3i6r s ASN 280 N 0.78 -0.20 0.03 3.54 2.20 -0.95 -4.93 114.94 115.41 3i6r s ASN 280 Ca 0.66 0.13 0.16 0.00 -0.94 0.00 0.00 52.86 52.87 3i6r s ASN 280 Cb -0.45 0.19 0.66 0.00 -2.00 0.00 0.00 41.25 39.65 3i6r s ASN 280 CO 0.39 -0.25 1.49 0.23 -2.94 0.00 0.00 177.10 176.02 3i6r n MET 281 N 0.29 0.02 0.00 3.55 2.81 -1.26 -1.28 117.12 121.25 3i6r n MET 281 Ca -0.04 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3i6r n MET 281 Cb 0.59 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3i6r n MET 281 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i6r n GLY 282 N 0.01 1.35 0.17 3.03 0.00 -1.26 -4.01 105.19 104.48 3i6r n GLY 282 Ca 0.03 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 3i6r n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6r h ASP 284 N -0.08 -0.13 -0.21 0.00 5.19 -1.87 0.20 116.42 119.52 3i6r h ASP 284 Ca 0.14 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3i6r h ASP 284 Cb 0.29 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3i6r h ASP 284 CO -0.31 -0.09 0.09 0.50 -3.12 0.00 0.00 179.24 176.31 3i6r h LYS 285 N -0.14 0.30 -0.89 3.56 1.63 -1.79 -1.33 116.57 117.91 3i6r h LYS 285 Ca -0.01 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3i6r h LYS 285 Cb 0.12 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3i6r h LYS 285 CO 0.01 0.35 0.47 0.28 -3.45 0.00 0.00 179.45 177.12 3i6r h VAL 286 N 0.19 1.26 -0.74 2.00 2.07 -1.27 -1.25 116.25 118.51 3i6r h VAL 286 Ca 0.07 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3i6r h VAL 286 Cb 0.16 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 3i6r h VAL 286 CO -0.01 0.30 0.47 0.74 0.02 0.00 0.00 177.57 179.10 3i6r h THR 287 N 1.25 1.12 -0.76 2.57 2.02 -0.40 0.53 112.91 119.24 3i6r h THR 287 Ca 0.31 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3i6r h THR 287 Cb 0.05 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.52 3i6r h THR 287 CO -0.05 0.17 0.48 -0.08 0.37 0.00 0.00 175.52 176.41 3i6r h GLU 288 N 0.93 0.90 -0.46 6.66 4.57 -0.59 -0.09 114.58 126.51 3i6r h GLU 288 Ca 0.29 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3i6r h GLU 288 Cb -0.01 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 3i6r h GLU 288 CO -0.10 0.60 0.22 -0.91 -1.18 0.00 0.00 179.01 177.64 3i6r h ASN 289 N 0.93 0.59 -0.51 1.04 2.35 -0.35 -2.14 115.58 117.49 3i6r h ASN 289 Ca 0.31 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 3i6r h ASN 289 Cb 0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3i6r h ASN 289 CO -0.12 0.55 -0.16 0.25 -1.65 0.00 0.00 177.43 176.30 3i6r h LEU 290 N 0.59 1.03 -0.32 1.61 5.85 -0.65 -0.97 115.31 122.45 3i6r h LEU 290 Ca 0.16 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3i6r h LEU 290 Cb 0.11 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3i6r h LEU 290 CO -0.02 1.17 -0.08 0.40 -0.34 0.00 0.00 178.44 179.57 3i6r h ILE 291 N 0.89 0.67 -0.78 4.05 2.04 -0.91 0.91 117.51 124.39 3i6r h ILE 291 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 3i6r h ILE 291 Cb 0.74 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3i6r h ILE 291 CO 0.06 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.43 3i6r h LEU 292 N -0.00 1.09 -0.29 1.44 3.38 -1.11 -1.68 115.31 118.13 3i6r h LEU 292 Ca 0.16 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3i6r h LEU 292 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3i6r h LEU 292 CO -0.34 0.98 0.08 0.15 0.09 0.00 0.00 178.44 179.40 3i6r h PHE 293 N 1.14 0.14 -0.92 1.13 3.57 -0.64 -1.13 116.94 120.23 3i6r h PHE 293 Ca 0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3i6r h PHE 293 Cb 0.24 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3i6r h PHE 293 CO 0.02 0.05 0.61 0.00 -2.23 0.00 0.00 178.31 176.76 3i6r h ARG 294 N 0.20 1.19 -0.40 1.11 2.47 -0.21 0.35 114.38 119.09 3i6r h ARG 294 Ca 0.13 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 3i6r h ARG 294 Cb 0.12 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 3i6r h ARG 294 CO -0.15 0.78 0.04 0.87 0.56 0.00 0.00 179.97 182.07 3i6r h LYS 295 N 1.22 0.67 -0.92 0.04 1.57 -1.17 -2.56 116.57 115.43 3i6r h LYS 295 Ca 0.35 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3i6r h LYS 295 Cb -0.10 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 3i6r h LYS 295 CO -0.08 0.74 0.60 0.00 -0.57 0.00 0.00 179.45 180.14 3i6r h ARG 296 N 0.51 1.04 -0.42 3.15 3.08 -0.37 -2.90 114.38 118.48 3i6r h ARG 296 Ca 0.12 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3i6r h ARG 296 Cb 0.41 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3i6r h ARG 296 CO 0.01 0.69 0.13 0.37 -1.07 0.00 0.00 179.97 180.10 3i6r h GLN 297 N 1.08 0.60 0.00 0.04 4.15 0.08 -2.29 115.11 118.76 3i6r h GLN 297 Ca 0.38 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3i6r h GLN 297 Cb 0.14 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3i6r h GLN 297 CO -0.14 0.53 0.00 0.39 -1.93 0.00 0.00 178.83 177.68 3i6r n GLU 298 N -4.35 0.19 0.00 1.69 1.02 -1.08 -2.56 120.64 115.55 3i6r n GLU 298 Ca 0.03 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3i6r n GLU 298 Cb 0.17 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 3i6r n GLU 298 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3i6r n GLU 299 N -2.29 1.05 -3.79 3.49 0.28 -0.97 -4.96 120.64 113.45 3i6r n GLU 299 Ca 0.01 -0.89 -0.37 0.00 -0.16 0.00 0.00 57.16 55.75 3i6r n GLU 299 Cb 0.17 -0.86 -0.12 0.00 1.43 0.00 0.00 31.44 32.06 3i6r n GLU 299 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3i6r s ASP 300 N -0.44 5.20 0.45 -1.84 3.68 -0.90 -4.98 116.67 117.83 3i6r s ASP 300 Ca 0.00 -1.53 0.15 0.00 2.13 0.00 0.00 52.55 53.30 3i6r s ASP 300 Cb 0.00 -1.82 1.08 0.00 -1.45 0.00 0.00 42.92 40.73 3i6r s ASP 300 CO 0.00 -0.40 1.99 0.50 0.13 0.00 0.00 175.17 177.38 3i6r h LYS 301 N 8.12 0.34 0.00 4.34 3.64 -1.91 -1.49 116.57 129.61 3i6r h LYS 301 Ca -0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3i6r h LYS 301 Cb 1.06 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3i6r h LYS 301 CO 0.63 0.23 0.00 1.28 -2.27 0.00 0.00 179.45 179.32 3i6r n LEU 302 N -4.46 0.27 0.00 5.20 4.77 -1.26 -3.40 117.00 118.12 3i6r n LEU 302 Ca 0.09 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.72 3i6r n LEU 302 Cb 0.38 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3i6r n LEU 302 CO 0.34 -0.17 -0.11 0.18 -1.33 0.00 0.00 177.39 176.30 3i6r n LEU 303 N -1.77 0.78 -4.77 2.23 4.77 -0.56 -4.88 117.00 112.80 3i6r n LEU 303 Ca 0.05 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.29 3i6r n LEU 303 Cb 0.31 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3i6r n LEU 303 CO 0.24 0.19 1.04 -0.94 -1.33 0.00 0.00 177.39 176.58 3i6r s SER 304 N -3.31 6.15 0.00 -1.43 1.04 -1.22 -1.78 113.70 113.15 3i6r s SER 304 Ca 0.05 2.83 0.00 0.00 0.48 0.00 0.00 55.95 59.32 3i6r s SER 304 Cb 0.16 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3i6r s SER 304 CO 0.86 -0.98 0.00 0.29 0.98 0.00 0.00 173.24 174.39 3i6r n LYS 305 N 0.08 -0.22 -2.69 4.02 5.02 -1.26 -4.97 118.16 118.14 3i6r n LYS 305 Ca 0.04 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3i6r n LYS 305 Cb 0.42 -3.95 -0.06 0.00 -0.02 0.00 0.00 35.03 31.43 3i6r n LYS 305 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i6r s HIS 306 N -1.85 3.81 -0.17 2.13 3.76 -0.73 -4.68 115.29 117.57 3i6r s HIS 306 Ca 0.00 1.84 -0.07 0.00 -0.15 0.00 0.00 55.06 56.68 3i6r s HIS 306 Cb 0.00 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 3i6r s HIS 306 CO 0.00 0.15 0.05 0.42 -0.85 0.00 0.00 174.74 174.51 3i6r s ILE 307 N -1.28 4.71 -0.27 0.60 -1.09 -0.35 -4.78 121.20 118.74 3i6r s ILE 307 Ca 0.44 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 3i6r s ILE 307 Cb -0.26 -3.10 0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3i6r s ILE 307 CO 0.32 0.48 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.78 3i6r s VAL 308 N 0.18 2.86 0.36 2.92 1.01 -1.26 -1.65 120.40 124.82 3i6r s VAL 308 Ca 0.04 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 3i6r s VAL 308 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3i6r s VAL 308 CO 0.01 0.07 0.57 -0.83 0.00 0.00 0.00 175.10 174.92 3i6r s GLY 309 N 1.28 1.38 -0.08 4.51 0.00 -0.22 -1.50 107.32 112.69 3i6r s GLY 309 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3i6r s GLY 309 CO -0.03 -0.78 -0.14 0.14 0.00 0.00 0.00 173.10 172.29 3i6r s VAL 310 N -2.35 1.31 -0.18 1.40 1.01 0.05 -1.47 120.40 120.17 3i6r s VAL 310 Ca 0.41 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3i6r s VAL 310 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3i6r s VAL 310 CO 0.37 0.40 0.26 -0.55 0.00 0.00 0.00 175.10 175.57 3i6r s SER 311 N 0.80 6.37 -0.08 3.32 0.15 0.51 0.22 113.70 125.00 3i6r s SER 311 Ca -0.11 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.01 3i6r s SER 311 Cb -0.16 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3i6r s SER 311 CO 0.02 0.10 -0.24 0.27 1.20 0.00 0.00 173.24 174.59 3i6r s ILE 312 N 0.55 2.10 0.08 6.45 -4.36 0.39 -1.21 121.20 125.20 3i6r s ILE 312 Ca 0.14 -1.03 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 3i6r s ILE 312 Cb -0.13 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 3i6r s ILE 312 CO 0.03 0.57 -0.08 -0.83 0.24 0.00 0.00 174.94 174.86 3i6r s GLY 313 N 0.04 0.72 0.41 6.27 0.00 0.76 -3.02 107.32 112.50 3i6r s GLY 313 Ca -0.10 -1.13 -0.26 0.00 0.00 0.00 0.00 44.72 43.24 3i6r s GLY 313 CO 0.06 -1.21 1.27 -1.59 0.00 0.00 0.00 173.10 171.63 3i6r s LYS 314 N -2.84 3.97 0.51 2.90 -2.85 -1.26 -4.31 119.74 115.86 3i6r s LYS 314 Ca 0.03 2.09 -0.21 0.00 -1.00 0.00 0.00 55.97 56.88 3i6r s LYS 314 Cb -0.02 -2.73 -0.06 0.00 -2.06 0.00 0.00 37.83 32.96 3i6r s LYS 314 CO -0.02 -0.47 1.20 -0.80 0.10 0.00 0.00 175.35 175.36 3i6r s ASN 315 N -0.82 5.79 0.22 0.03 0.02 -1.26 -4.92 114.94 114.00 3i6r s ASN 315 Ca 0.57 2.37 -0.08 0.00 -1.02 0.00 0.00 52.86 54.70 3i6r s ASN 315 Cb -0.37 -2.60 0.17 0.00 0.02 0.00 0.00 41.25 38.47 3i6r s ASN 315 CO 0.47 -1.18 1.81 0.50 0.02 0.00 0.00 177.10 178.72 3i6r h LYS 316 N 1.62 1.19 -0.80 -0.60 3.64 -1.95 -2.30 116.57 117.38 3i6r h LYS 316 Ca -0.50 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 58.66 3i6r h LYS 316 Cb 1.27 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 3i6r h LYS 316 CO 0.58 0.92 0.34 -0.44 -2.27 0.00 0.00 179.45 178.59 3i6r h ASP 317 N 1.17 1.08 -3.46 4.20 3.32 -2.01 -3.46 116.42 117.25 3i6r h ASP 317 Ca 0.28 -0.16 -0.53 0.00 0.02 0.00 0.00 57.03 56.65 3i6r h ASP 317 Cb 0.12 -0.28 0.07 0.00 0.22 0.00 0.00 39.33 39.46 3i6r h ASP 317 CO -0.03 0.94 0.78 -0.89 -1.72 0.00 0.00 179.24 178.31 3i6r s THR 318 N -5.61 2.49 0.16 0.35 2.01 -0.87 -4.96 115.64 109.21 3i6r s THR 318 Ca -0.12 0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 3i6r s THR 318 Cb 0.16 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.44 3i6r s THR 318 CO 0.83 0.07 1.67 1.62 -0.69 0.00 0.00 174.62 178.12 3i6r h VAL 319 N 3.42 1.25 -3.26 3.82 3.04 -1.89 -3.46 116.25 119.16 3i6r h VAL 319 Ca -0.47 -0.88 -0.68 0.00 -1.01 0.00 0.00 66.70 63.66 3i6r h VAL 319 Cb 1.22 0.77 -0.33 0.00 -2.01 0.00 0.00 31.29 30.94 3i6r h VAL 319 CO 0.76 0.32 -0.86 0.21 -1.01 0.00 0.00 177.57 176.99 3i6r s ASN 320 N -6.22 3.18 0.10 3.17 2.47 -1.26 -5.02 114.94 111.37 3i6r s ASN 320 Ca -0.13 -0.57 -0.14 0.00 0.42 0.00 0.00 52.86 52.45 3i6r s ASN 320 Cb 0.12 -1.45 -0.12 0.00 -1.45 0.00 0.00 41.25 38.36 3i6r s ASN 320 CO 0.81 0.11 1.36 -0.29 -3.72 0.00 0.00 177.10 175.37 3i6r h ILE 321 N 5.75 1.30 -0.99 -5.21 2.10 -1.98 -3.30 117.51 115.17 3i6r h ILE 321 Ca -0.27 -1.71 0.05 0.00 1.08 0.00 0.00 64.86 64.00 3i6r h ILE 321 Cb 1.21 1.77 -0.06 0.00 -1.09 0.00 0.00 36.82 38.65 3i6r h ILE 321 CO 0.52 0.55 0.65 0.58 -1.08 0.00 0.00 178.15 179.37 3i6r h VAL 322 N 0.50 1.14 -0.80 2.19 2.07 -1.98 -0.43 116.25 118.94 3i6r h VAL 322 Ca 0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3i6r h VAL 322 Cb 1.12 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3i6r h VAL 322 CO 0.11 0.22 0.36 0.44 0.02 0.00 0.00 177.57 178.73 3i6r h ASP 323 N 1.22 1.06 -0.74 0.57 3.32 -2.00 -0.30 116.42 119.56 3i6r h ASP 323 Ca 0.41 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3i6r h ASP 323 Cb 0.07 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3i6r h ASP 323 CO -0.14 0.92 0.31 0.44 -1.72 0.00 0.00 179.24 179.05 3i6r h ASP 324 N 1.14 1.00 -0.43 6.45 5.19 -1.19 -1.88 116.42 126.70 3i6r h ASP 324 Ca 0.27 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 3i6r h ASP 324 Cb 0.15 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3i6r h ASP 324 CO -0.03 0.89 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.85 3i6r h LEU 325 N 1.05 0.80 -0.89 1.55 3.38 -0.90 -2.07 115.31 118.22 3i6r h LEU 325 Ca 0.25 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3i6r h LEU 325 Cb 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3i6r h LEU 325 CO -0.02 0.95 0.58 0.11 0.09 0.00 0.00 178.44 180.15 3i6r h LYS 326 N 0.63 1.19 -0.69 1.13 1.57 -0.78 0.18 116.57 119.80 3i6r h LYS 326 Ca 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3i6r h LYS 326 Cb 0.58 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3i6r h LYS 326 CO 0.03 0.80 0.27 -0.92 -0.57 0.00 0.00 179.45 179.06 3i6r h TYR 327 N 1.22 1.05 -0.69 -1.35 3.20 -1.13 -1.54 116.97 117.73 3i6r h TYR 327 Ca 0.33 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3i6r h TYR 327 Cb -0.12 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.80 3i6r h TYR 327 CO -0.01 0.82 0.27 0.00 -1.64 0.00 0.00 178.16 177.60 3i6r h ILE 329 N 0.99 1.25 -0.20 0.00 2.04 -0.81 -0.01 117.51 120.77 3i6r h ILE 329 Ca 0.23 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 3i6r h ILE 329 Cb 0.22 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i6r h ILE 329 CO -0.02 0.32 -0.14 0.78 0.00 0.00 0.00 178.15 179.10 3i6r h ASN 330 N 1.10 0.31 0.10 1.72 -0.26 -0.89 -1.66 115.58 115.99 3i6r h ASN 330 Ca 0.26 -0.07 -0.22 0.00 -0.56 0.00 0.00 56.30 55.70 3i6r h ASN 330 Cb 0.20 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3i6r h ASN 330 CO -0.02 0.48 -1.10 0.11 -1.06 0.00 0.00 177.43 175.84 3i6r h LYS 331 N 0.31 0.21 0.00 0.81 1.79 -0.79 -3.43 116.57 115.46 3i6r h LYS 331 Ca 0.06 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 3i6r h LYS 331 Cb 0.43 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3i6r h LYS 331 CO 0.03 1.17 -0.77 1.51 -1.08 0.00 0.00 179.45 180.31 3i6r n ILE 332 N -4.09 0.00 -0.20 1.86 3.06 -0.08 -4.67 119.36 115.24 3i6r n ILE 332 Ca -0.21 -0.26 0.15 0.00 -2.50 0.00 0.00 62.75 59.93 3i6r n ILE 332 Cb 0.82 0.76 0.47 0.00 0.54 0.00 0.00 39.64 42.23 3i6r n ILE 332 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3i6r h GLY 333 N 1.97 0.85 2.00 4.50 0.00 -1.42 -1.54 103.07 109.43 3i6r h GLY 333 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3i6r h GLY 333 CO 0.00 0.06 -0.01 3.21 0.00 0.00 0.00 176.54 179.80 3i6r h ARG 334 N 0.49 0.00 -0.11 4.80 3.08 -1.83 -2.75 114.38 118.06 3i6r h ARG 334 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3i6r h ARG 334 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3i6r h ARG 334 CO -0.15 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 179.42 3i6r n TYR 335 N -3.18 0.14 -4.54 3.04 4.02 -0.58 -1.02 117.16 115.03 3i6r n TYR 335 Ca -0.02 -0.22 -0.34 0.00 -0.01 0.00 0.00 57.90 57.31 3i6r n TYR 335 Cb 0.12 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.32 3i6r n TYR 335 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i6r s ALA 336 N -0.80 3.05 0.03 -0.72 0.00 -1.04 -4.66 121.76 117.63 3i6r s ALA 336 Ca 0.12 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.26 3i6r s ALA 336 Cb 0.07 -1.26 -0.23 0.00 0.00 0.00 0.00 23.12 21.71 3i6r s ALA 336 CO 0.10 0.59 0.94 -0.44 0.00 0.00 0.00 175.76 176.94 3i6r h ASP 337 N 5.06 0.06 -5.10 0.00 3.32 -1.58 -3.34 116.42 114.84 3i6r h ASP 337 Ca -0.49 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 3i6r h ASP 337 Cb 1.17 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 3i6r h ASP 337 CO 0.53 1.08 -0.16 -0.72 -1.72 0.00 0.00 179.24 178.25 3i6r s TYR 338 N -2.65 -0.10 -0.08 4.55 -0.85 -1.25 -2.29 117.35 114.69 3i6r s TYR 338 Ca -0.03 -0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 3i6r s TYR 338 Cb 0.09 0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.58 3i6r s TYR 338 CO 0.83 -0.65 -0.20 0.42 -1.52 0.00 0.00 175.55 174.42 3i6r s ILE 339 N -3.82 2.48 -0.24 -3.49 -1.09 0.02 -0.77 121.20 114.29 3i6r s ILE 339 Ca 0.04 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.51 3i6r s ILE 339 Cb 0.03 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3i6r s ILE 339 CO -0.12 0.56 -0.02 0.00 -1.23 0.00 0.00 174.94 174.13 3i6r s ALA 340 N -0.12 2.84 -0.32 9.38 0.00 0.13 -0.20 121.76 133.47 3i6r s ALA 340 Ca -0.04 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 3i6r s ALA 340 Cb -0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 3i6r s ALA 340 CO 0.04 -0.59 0.61 0.42 0.00 0.00 0.00 175.76 176.24 3i6r s ILE 341 N 1.45 4.94 -0.12 0.00 1.01 0.04 -0.46 121.20 128.06 3i6r s ILE 341 Ca 0.04 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.43 3i6r s ILE 341 Cb -0.15 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3i6r s ILE 341 CO -0.02 -0.18 -0.17 0.21 0.00 0.00 0.00 174.94 174.77 3i6r s ASN 342 N 1.69 3.68 -0.14 3.58 2.47 -1.17 -1.35 114.94 123.70 3i6r s ASN 342 Ca 0.24 -0.41 0.18 0.00 0.42 0.00 0.00 52.86 53.28 3i6r s ASN 342 Cb -0.15 -1.54 0.37 0.00 -1.45 0.00 0.00 41.25 38.48 3i6r s ASN 342 CO 0.13 0.16 1.25 1.33 -3.72 0.00 0.00 177.10 176.24 3i6r n VAL 343 N 3.55 2.00 0.62 -5.21 0.24 -1.25 -4.73 118.33 113.54 3i6r n VAL 343 Ca -0.18 -2.08 0.09 0.00 -2.04 0.00 0.00 64.34 60.13 3i6r n VAL 343 Cb 0.53 -0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 3i6r n VAL 343 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i6r n SER 344 N -1.05 0.79 -4.77 -1.34 3.41 -1.24 -3.59 113.62 105.84 3i6r n SER 344 Ca 0.17 -0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 57.71 3i6r n SER 344 Cb 0.72 1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.92 3i6r n SER 344 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i6r s SER 345 N -3.20 6.60 0.52 4.04 0.15 -1.26 -4.52 113.70 116.03 3i6r s SER 345 Ca 0.03 2.80 -0.21 0.00 0.70 0.00 0.00 55.95 59.27 3i6r s SER 345 Cb 0.14 -2.65 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 3i6r s SER 345 CO 0.78 -0.69 1.14 -2.16 1.20 0.00 0.00 173.24 173.51 3i6r s PRO 346 N -1.51 3.49 0.00 5.44 0.04 -1.26 -4.09 135.00 137.11 3i6r s PRO 346 Ca 0.53 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3i6r s PRO 346 Cb -0.43 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3i6r s PRO 346 CO 0.54 -0.74 0.00 0.09 0.04 0.00 0.00 177.00 176.92 3i6r n ASN 347 N -1.04 -0.09 -3.99 6.66 3.02 -1.25 -4.79 115.26 113.79 3i6r n ASN 347 Ca 0.10 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 3i6r n ASN 347 Cb 0.50 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.50 3i6r n ASN 347 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i6r s THR 348 N -2.81 0.82 0.42 3.41 -4.23 -1.24 -4.43 115.64 107.57 3i6r s THR 348 Ca 0.00 -0.34 -0.26 0.00 -1.18 0.00 0.00 61.69 59.90 3i6r s THR 348 Cb 0.00 -0.76 -0.09 0.00 1.34 0.00 0.00 72.50 73.00 3i6r s THR 348 CO 0.00 0.27 1.37 -2.16 -0.54 0.00 0.00 174.62 173.55 3i6r s PRO 349 N 0.44 3.89 -0.05 3.99 0.04 -1.26 -3.77 135.00 138.29 3i6r s PRO 349 Ca -0.07 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.28 3i6r s PRO 349 Cb -0.11 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.68 3i6r s PRO 349 CO 0.01 -0.60 -0.12 0.20 0.04 0.00 0.00 177.00 176.53 3i6r s GLY 350 N -0.59 0.72 0.31 0.56 0.00 -1.26 -4.53 107.32 102.54 3i6r s GLY 350 Ca 0.58 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.89 3i6r s GLY 350 CO 0.53 -0.02 1.88 0.17 0.00 0.00 0.00 173.10 175.66 3i6r h LEU 351 N 6.65 0.67 -8.54 0.66 8.10 -1.92 -3.42 115.31 117.50 3i6r h LEU 351 Ca -0.32 -0.10 -0.65 0.00 0.11 0.00 0.00 57.88 56.91 3i6r h LEU 351 Cb 1.18 -0.17 -0.26 0.00 -0.44 0.00 0.00 40.66 40.97 3i6r h LEU 351 CO 0.48 0.64 -0.71 -0.13 -4.11 0.00 0.00 178.44 174.61 3i6r s ARG 352 N -5.23 3.46 0.41 0.17 3.00 -1.25 -3.69 118.95 115.83 3i6r s ARG 352 Ca -0.09 -0.60 -0.26 0.00 0.00 0.00 0.00 55.73 54.78 3i6r s ARG 352 Cb 0.16 -2.96 -0.09 0.00 0.00 0.00 0.00 34.95 32.05 3i6r s ARG 352 CO 0.78 -0.05 1.42 -0.51 0.00 0.00 0.00 175.30 176.94 3i6r s ASP 353 N 1.09 6.14 0.36 0.23 1.01 -1.24 -4.71 116.67 119.56 3i6r s ASP 353 Ca 0.01 2.90 -0.28 0.00 0.71 0.00 0.00 52.55 55.90 3i6r s ASP 353 Cb -0.15 -2.66 -0.10 0.00 1.01 0.00 0.00 42.92 41.03 3i6r s ASP 353 CO -0.00 -0.99 1.34 0.20 0.21 0.00 0.00 175.17 175.93 3i6r s ASN 354 N -0.44 6.55 -0.52 0.27 -0.87 -1.26 -4.59 114.94 114.08 3i6r s ASN 354 Ca 0.57 2.75 0.07 0.00 -1.57 0.00 0.00 52.86 54.68 3i6r s ASN 354 Cb -0.43 -2.65 0.26 0.00 -0.02 0.00 0.00 41.25 38.40 3i6r s ASN 354 CO 0.57 -0.70 0.66 0.00 -2.57 0.00 0.00 177.10 175.06 3i6r n GLN 355 N 0.53 1.74 -3.83 -0.60 10.64 -1.26 -4.69 117.38 119.91 3i6r n GLN 355 Ca 0.01 -4.02 -0.35 0.00 -1.83 0.00 0.00 57.00 50.81 3i6r n GLN 355 Cb 0.42 -1.79 -0.09 0.00 -0.86 0.00 0.00 30.24 27.92 3i6r n GLN 355 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3i6r s GLU 356 N -1.97 4.08 0.25 2.61 -6.30 -1.26 -4.81 118.70 111.31 3i6r s GLU 356 Ca 0.38 -0.28 -0.03 0.00 -2.50 0.00 0.00 54.97 52.54 3i6r s GLU 356 Cb 0.17 -3.35 0.41 0.00 0.00 0.00 0.00 34.13 31.35 3i6r s GLU 356 CO -0.06 0.25 1.84 0.00 0.02 0.00 0.00 175.26 177.31 3i6r h ALA 357 N 6.81 1.28 -0.63 6.30 0.00 -1.96 5.20 119.26 136.27 3i6r h ALA 357 Ca -0.39 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3i6r h ALA 357 Cb 1.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3i6r h ALA 357 CO 0.72 0.25 0.24 0.78 0.00 0.00 0.00 179.25 181.24 3i6r h GLY 358 N 0.97 1.03 0.99 0.00 0.00 -1.96 0.37 103.07 104.48 3i6r h GLY 358 Ca 0.42 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3i6r h GLY 358 CO -0.21 0.54 0.16 0.50 0.00 0.00 0.00 176.54 177.54 3i6r h LYS 359 N 0.90 0.87 -0.15 4.80 1.79 0.89 -2.14 116.57 123.53 3i6r h LYS 359 Ca 0.21 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 3i6r h LYS 359 Cb 0.23 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3i6r h LYS 359 CO -0.01 0.80 -0.07 1.25 -1.08 0.00 0.00 179.45 180.34 3i6r h LEU 360 N 0.78 0.32 -0.64 2.94 5.85 0.41 -0.45 115.31 124.50 3i6r h LEU 360 Ca 0.18 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.62 3i6r h LEU 360 Cb 0.30 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 3i6r h LEU 360 CO -0.00 0.65 0.14 0.50 -0.34 0.00 0.00 178.44 179.39 3i6r h LYS 361 N -0.02 0.25 -0.68 1.25 3.64 -0.21 0.30 116.57 121.09 3i6r h LYS 361 Ca 0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3i6r h LYS 361 Cb 0.53 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3i6r h LYS 361 CO 0.02 0.17 0.29 -0.97 -2.27 0.00 0.00 179.45 176.69 3i6r h ASN 362 N 0.26 0.90 0.08 4.20 -1.24 -1.12 -2.70 115.58 115.96 3i6r h ASN 362 Ca 0.34 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 3i6r h ASN 362 Cb 0.54 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3i6r h ASN 362 CO -0.44 0.79 -0.04 0.40 -1.29 0.00 0.00 177.43 176.86 3i6r h ILE 363 N 0.98 1.13 -0.71 2.57 2.04 0.11 -2.83 117.51 120.80 3i6r h ILE 363 Ca 0.23 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3i6r h ILE 363 Cb 0.16 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3i6r h ILE 363 CO -0.02 0.18 0.43 0.40 0.00 0.00 0.00 178.15 179.14 3i6r h ILE 364 N -0.44 1.05 -0.60 -0.67 2.04 -0.60 -2.32 117.51 115.97 3i6r h ILE 364 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3i6r h ILE 364 Cb 0.38 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3i6r h ILE 364 CO 0.02 0.15 0.05 -0.07 0.00 0.00 0.00 178.15 178.29 3i6r h LEU 365 N 0.82 0.97 -0.90 1.44 3.38 -1.52 -2.18 115.31 117.31 3i6r h LEU 365 Ca 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3i6r h LEU 365 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3i6r h LEU 365 CO -0.14 1.00 0.25 0.28 0.09 0.00 0.00 178.44 179.91 3i6r h SER 366 N 0.93 0.97 -0.05 -0.43 0.02 -1.21 -1.19 113.55 112.60 3i6r h SER 366 Ca 0.18 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3i6r h SER 366 Cb 0.48 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3i6r h SER 366 CO 0.02 0.89 0.01 0.58 -1.14 0.00 0.00 176.83 177.18 3i6r h VAL 367 N 1.02 1.22 -0.78 2.27 2.07 -1.11 -0.77 116.25 120.17 3i6r h VAL 367 Ca 0.23 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3i6r h VAL 367 Cb 0.24 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3i6r h VAL 367 CO -0.01 0.19 0.39 0.11 0.02 0.00 0.00 177.57 178.26 3i6r h LYS 368 N -0.18 1.11 -0.71 1.57 1.57 -1.33 -2.18 116.57 116.42 3i6r h LYS 368 Ca 0.01 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3i6r h LYS 368 Cb 0.29 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3i6r h LYS 368 CO 0.00 0.85 0.31 0.93 -0.57 0.00 0.00 179.45 180.96 3i6r h GLU 369 N 1.11 1.04 -0.76 3.15 5.08 -0.86 -1.29 114.58 122.05 3i6r h GLU 369 Ca 0.27 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3i6r h GLU 369 Cb 0.09 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3i6r h GLU 369 CO -0.04 0.84 0.28 0.93 -1.00 0.00 0.00 179.01 180.02 3i6r h GLU 370 N 1.00 1.15 -0.75 2.33 4.39 -0.55 -1.74 114.58 120.40 3i6r h GLU 370 Ca 0.24 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3i6r h GLU 370 Cb 0.17 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3i6r h GLU 370 CO -0.02 0.95 0.32 0.82 -1.16 0.00 0.00 179.01 179.91 3i6r h ILE 371 N 1.10 1.25 -0.81 3.13 2.04 -1.02 -2.39 117.51 120.81 3i6r h ILE 371 Ca 0.25 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3i6r h ILE 371 Cb 0.25 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3i6r h ILE 371 CO -0.02 0.31 0.36 0.44 0.00 0.00 0.00 178.15 179.24 3i6r h ASP 372 N 1.07 1.10 -0.82 1.72 3.32 -0.77 -2.46 116.42 119.59 3i6r h ASP 372 Ca 0.25 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3i6r h ASP 372 Cb 0.19 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3i6r h ASP 372 CO -0.02 0.95 0.37 0.78 -1.72 0.00 0.00 179.24 179.60 3i6r h ASN 373 N 1.17 1.09 -0.78 6.45 2.35 -0.91 -0.33 115.58 124.61 3i6r h ASN 373 Ca 0.27 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3i6r h ASN 373 Cb 0.17 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3i6r h ASN 373 CO -0.03 0.93 0.38 -0.07 -1.65 0.00 0.00 177.43 176.99 3i6r h LEU 374 N 1.17 1.03 -0.65 1.61 3.38 -0.97 0.29 115.31 121.17 3i6r h LEU 374 Ca 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3i6r h LEU 374 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3i6r h LEU 374 CO -0.03 0.87 0.27 -0.08 0.09 0.00 0.00 178.44 179.56 3i6r h GLU 375 N 1.11 0.96 -0.56 1.13 4.57 -0.87 -2.92 114.58 118.01 3i6r h GLU 375 Ca 0.27 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3i6r h GLU 375 Cb 0.12 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3i6r h GLU 375 CO -0.03 0.80 0.18 0.87 -1.18 0.00 0.00 179.01 179.65 3i6r h LYS 376 N 0.91 0.87 -0.77 1.92 1.57 -0.20 -3.30 116.57 117.57 3i6r h LYS 376 Ca 0.22 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3i6r h LYS 376 Cb 0.19 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3i6r h LYS 376 CO -0.02 0.78 0.27 -0.91 -0.57 0.00 0.00 179.45 179.00 3i6r h ASN 377 N 0.78 1.10 -3.65 0.86 -0.26 -0.34 -3.43 115.58 110.64 3i6r h ASN 377 Ca 0.18 -0.20 -0.51 0.00 -0.56 0.00 0.00 56.30 55.22 3i6r h ASN 377 Cb 0.27 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3i6r h ASN 377 CO -0.01 1.00 0.41 0.21 -1.06 0.00 0.00 177.43 177.98 3i6r s ASN 378 N -6.39 7.45 0.05 5.81 3.84 -1.11 -4.96 114.94 119.62 3i6r s ASN 378 Ca -0.12 1.99 0.28 0.00 0.21 0.00 0.00 52.86 55.22 3i6r s ASN 378 Cb 0.15 -2.60 1.06 0.00 -0.55 0.00 0.00 41.25 39.31 3i6r s ASN 378 CO 0.84 -0.05 1.84 2.30 -2.79 0.00 0.00 177.10 179.24 3i6r n ILE 379 N 2.05 0.14 -2.62 -5.21 -5.35 -1.26 -4.92 119.36 102.19 3i6r n ILE 379 Ca 0.01 -0.07 -0.32 0.00 -0.27 0.00 0.00 62.75 62.10 3i6r n ILE 379 Cb 0.47 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.88 3i6r n ILE 379 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3i6r s MET 380 N -3.03 3.97 0.69 6.28 -1.94 -1.26 -5.06 119.30 118.95 3i6r s MET 380 Ca 0.13 0.86 -0.15 0.00 -1.71 0.00 0.00 55.69 54.82 3i6r s MET 380 Cb 0.17 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.81 3i6r s MET 380 CO 0.56 -0.15 1.14 -0.80 -0.01 0.00 0.00 175.02 175.77 3i6r s ASN 381 N -2.88 4.75 0.46 3.03 0.01 -1.26 -4.81 114.94 114.25 3i6r s ASN 381 Ca 0.57 2.13 0.18 0.00 -0.71 0.00 0.00 52.86 55.04 3i6r s ASN 381 Cb -0.10 -2.57 1.14 0.00 0.41 0.00 0.00 41.25 40.14 3i6r s ASN 381 CO 0.27 -1.87 1.95 0.44 -1.51 0.00 0.00 177.10 176.37 3i6r h ASP 382 N -0.10 0.28 0.16 -1.22 3.32 -1.97 0.18 116.42 117.07 3i6r h ASP 382 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3i6r h ASP 382 Cb 1.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i6r h ASP 382 CO 0.52 0.15 0.00 -0.08 -1.72 0.00 0.00 179.24 178.11 3i6r h GLU 383 N 0.30 0.00 0.00 3.56 4.57 -1.90 -2.29 114.58 118.83 3i6r h GLU 383 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 3i6r h GLU 383 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3i6r h GLU 383 CO -0.08 0.00 -0.07 1.19 -1.18 0.00 0.00 179.01 178.87 3i6r n PHE 414 N -2.87 0.00 -0.02 0.92 3.01 0.61 -4.66 117.46 114.44 3i6r n PHE 414 Ca -0.02 -0.82 -0.04 0.00 1.01 0.00 0.00 57.45 57.58 3i6r n PHE 414 Cb 0.10 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 3i6r n PHE 414 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3i6r n LEU 415 N -1.16 1.76 -4.48 4.37 7.94 -0.89 -4.82 117.00 119.72 3i6r n LEU 415 Ca 0.13 0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.61 3i6r n LEU 415 Cb 0.62 -0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 3i6r n LEU 415 CO 0.01 0.35 1.21 0.26 -1.11 0.00 0.00 177.39 178.11 3i6r s TRP 416 N -2.09 3.05 -1.48 1.96 0.52 -1.01 -4.81 118.94 115.08 3i6r s TRP 416 Ca -0.06 -1.43 -0.09 0.00 0.02 0.00 0.00 56.10 54.55 3i6r s TRP 416 Cb 0.02 -4.40 -0.04 0.00 -1.15 0.00 0.00 33.47 27.91 3i6r s TRP 416 CO 0.09 -1.58 2.83 0.34 0.02 0.00 0.00 176.95 178.65 3i6r n PHE 417 N 6.96 2.38 -2.44 -1.98 7.35 -0.19 -4.47 117.46 125.07 3i6r n PHE 417 Ca 0.29 -2.96 0.00 0.00 -0.76 0.00 0.00 57.45 54.02 3i6r n PHE 417 Cb 0.48 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 38.03 3i6r n PHE 417 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3i6r n ASN 418 N 3.01 0.37 -0.09 -2.13 0.23 -1.25 -4.46 115.26 110.93 3i6r n ASN 418 Ca 0.73 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 54.55 3i6r n ASN 418 Cb 0.26 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.84 3i6r n ASN 418 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3i6r n THR 419 N 0.00 1.57 0.32 5.53 -1.04 -1.26 -4.40 114.28 114.99 3i6r n THR 419 Ca 0.00 -0.19 0.15 0.00 -2.04 0.00 0.00 64.05 61.97 3i6r n THR 419 Cb 0.00 -1.96 0.50 0.00 -1.82 0.00 0.00 70.33 67.05 3i6r n THR 419 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3i6r h THR 420 N -0.82 0.00 0.00 12.58 1.35 -1.93 -3.47 112.91 120.63 3i6r h THR 420 Ca -0.42 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3i6r h THR 420 Cb 1.48 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3i6r h THR 420 CO -0.20 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.36 3i6r n LYS 421 N -2.86 -1.74 -3.66 4.72 4.76 -1.26 -4.96 118.16 113.16 3i6r n LYS 421 Ca 0.02 0.43 -0.23 0.00 -2.87 0.00 0.00 58.31 55.67 3i6r n LYS 421 Cb 0.36 -4.84 -0.02 0.00 -1.84 0.00 0.00 35.03 28.69 3i6r n LYS 421 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i6r n LYS 422 N 0.55 0.95 -2.40 1.97 5.02 -1.26 -4.57 118.16 118.42 3i6r n LYS 422 Ca 0.00 -2.75 -0.37 0.00 -2.02 0.00 0.00 58.31 53.16 3i6r n LYS 422 Cb 0.43 0.51 -0.03 0.00 -0.02 0.00 0.00 35.03 35.93 3i6r n LYS 422 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3i6r s LYS 423 N -3.59 4.07 0.19 1.97 -2.85 -1.26 -4.87 119.74 113.41 3i6r s LYS 423 Ca 0.13 1.69 -0.32 0.00 -1.00 0.00 0.00 55.97 56.46 3i6r s LYS 423 Cb -0.01 -2.59 -0.12 0.00 -2.06 0.00 0.00 37.83 33.04 3i6r s LYS 423 CO 0.08 -0.26 1.70 -0.35 0.10 0.00 0.00 175.35 176.62 3i6r n PRO 424 N -0.04 2.65 -0.82 1.78 -0.04 -1.26 -4.92 135.00 132.35 3i6r n PRO 424 Ca 0.05 0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 64.17 3i6r n PRO 424 Cb 0.48 -2.79 0.20 0.00 -0.04 0.00 0.00 33.50 31.35 3i6r n PRO 424 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i6r s LEU 425 N 1.19 1.66 -0.19 1.53 1.43 -0.97 -4.75 118.68 118.57 3i6r s LEU 425 Ca 0.76 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 3i6r s LEU 425 Cb -0.54 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 41.96 3i6r s LEU 425 CO 0.34 -3.47 -0.15 -0.69 0.23 0.00 0.00 176.35 172.60 3i6r s VAL 426 N -2.68 1.91 0.26 -1.59 1.01 -1.26 -0.80 120.40 117.25 3i6r s VAL 426 Ca 0.66 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3i6r s VAL 426 Cb -0.22 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3i6r s VAL 426 CO 0.61 0.34 -0.01 -0.36 0.00 0.00 0.00 175.10 175.67 3i6r s PHE 427 N 1.31 2.69 -0.04 5.22 0.08 0.72 -2.07 117.98 125.88 3i6r s PHE 427 Ca 0.01 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 56.87 3i6r s PHE 427 Cb -0.15 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 3i6r s PHE 427 CO -0.10 0.62 -0.13 0.54 -0.10 0.00 0.00 175.22 176.04 3i6r s VAL 428 N -2.28 1.13 -0.21 -0.44 0.11 -1.05 -0.78 120.40 116.86 3i6r s VAL 428 Ca 0.31 -0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 58.72 3i6r s VAL 428 Cb -0.07 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 3i6r s VAL 428 CO 0.20 0.34 0.17 -0.75 -3.33 0.00 0.00 175.10 171.73 3i6r s LYS 429 N 0.27 4.14 -0.01 1.54 2.20 -0.46 -0.72 119.74 126.71 3i6r s LYS 429 Ca -0.07 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 3i6r s LYS 429 Cb -0.12 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3i6r s LYS 429 CO 0.02 0.17 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.65 3i6r s LEU 430 N 0.72 3.42 0.38 5.43 1.43 -0.89 -3.70 118.68 125.49 3i6r s LEU 430 Ca 0.09 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.93 3i6r s LEU 430 Cb -0.12 -1.94 -0.11 0.00 0.03 0.00 0.00 46.19 44.05 3i6r s LEU 430 CO 0.02 0.29 0.95 0.00 0.23 0.00 0.00 176.35 177.84 3i6r s ALA 431 N -1.04 3.11 -1.97 4.21 0.00 -1.26 -0.77 121.76 124.04 3i6r s ALA 431 Ca 0.18 0.45 0.30 0.00 0.00 0.00 0.00 51.96 52.89 3i6r s ALA 431 Cb -0.11 -3.17 1.41 0.00 0.00 0.00 0.00 23.12 21.25 3i6r s ALA 431 CO 0.09 0.15 1.96 -0.35 0.00 0.00 0.00 175.76 177.60 3i6r n PRO 432 N -0.12 1.03 -2.08 0.00 -0.04 -1.26 -4.49 135.00 128.04 3i6r n PRO 432 Ca 0.05 -0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 62.76 3i6r n PRO 432 Cb 0.52 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3i6r n PRO 432 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i6r n ASP 433 N -0.69 6.44 -3.94 3.54 8.00 -1.26 -4.89 116.55 123.75 3i6r n ASP 433 Ca 0.19 -3.06 -0.12 0.00 0.71 0.00 0.00 54.79 52.50 3i6r n ASP 433 Cb 0.24 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 39.76 3i6r n ASP 433 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i6r s LEU 434 N -0.74 2.09 0.71 0.64 1.43 -1.26 -5.14 118.68 116.42 3i6r s LEU 434 Ca 0.48 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3i6r s LEU 434 Cb 0.14 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.33 3i6r s LEU 434 CO -0.04 -0.09 1.09 0.21 0.23 0.00 0.00 176.35 177.75 3i6r s ASN 435 N -0.57 5.35 0.57 2.29 2.47 -1.26 -4.86 114.94 118.92 3i6r s ASN 435 Ca -0.05 1.22 0.27 0.00 0.42 0.00 0.00 52.86 54.72 3i6r s ASN 435 Cb -0.04 -2.04 1.54 0.00 -1.45 0.00 0.00 41.25 39.26 3i6r s ASN 435 CO -0.00 -1.41 2.06 1.56 -3.72 0.00 0.00 177.10 175.58 3i6r h GLN 436 N -0.70 0.00 0.04 0.43 1.08 -2.00 -1.94 115.11 112.01 3i6r h GLN 436 Ca -0.45 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3i6r h GLN 436 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 3i6r h GLN 436 CO 0.62 0.00 -0.02 1.49 -0.95 0.00 0.00 178.83 179.98 3i6r h GLU 437 N 0.00 -0.05 -0.99 1.46 4.57 -2.00 -2.56 114.58 115.01 3i6r h GLU 437 Ca 0.13 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.53 3i6r h GLU 437 Cb 0.64 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.14 3i6r h GLU 437 CO -0.00 0.60 0.62 1.96 -1.18 0.00 0.00 179.01 181.01 3i6r h GLN 438 N -0.79 0.54 -0.31 1.92 4.20 -1.75 -1.24 115.11 117.69 3i6r h GLN 438 Ca -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3i6r h GLN 438 Cb 0.67 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3i6r h GLN 438 CO 0.01 0.36 0.02 0.87 -0.67 0.00 0.00 178.83 179.42 3i6r h LYS 439 N 0.56 0.53 -0.69 1.46 1.57 -1.41 -2.35 116.57 116.23 3i6r h LYS 439 Ca 0.56 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3i6r h LYS 439 Cb 1.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3i6r h LYS 439 CO -0.31 0.65 0.23 0.87 -0.57 0.00 0.00 179.45 180.32 3i6r h LYS 440 N 0.34 1.07 -0.71 3.15 1.57 -0.85 -2.45 116.57 118.70 3i6r h LYS 440 Ca 0.09 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3i6r h LYS 440 Cb 0.40 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3i6r h LYS 440 CO 0.01 0.92 0.29 0.93 -0.57 0.00 0.00 179.45 181.03 3i6r h GLU 441 N 1.01 1.04 -0.32 3.15 5.08 -1.22 -2.87 114.58 120.45 3i6r h GLU 441 Ca 0.23 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3i6r h GLU 441 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3i6r h GLU 441 CO -0.01 0.83 -0.06 0.82 -1.00 0.00 0.00 179.01 179.59 3i6r h ILE 442 N 1.02 1.28 -0.58 3.13 2.04 -1.25 -3.08 117.51 120.07 3i6r h ILE 442 Ca 0.24 -1.09 0.12 0.00 1.00 0.00 0.00 64.86 65.13 3i6r h ILE 442 Cb 0.18 1.33 -0.10 0.00 -0.74 0.00 0.00 36.82 37.48 3i6r h ILE 442 CO -0.02 0.35 -0.05 0.00 0.00 0.00 0.00 178.15 178.43 3i6r h ALA 443 N 0.81 0.50 -0.20 1.87 0.00 -1.23 -1.41 119.26 119.60 3i6r h ALA 443 Ca 0.08 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3i6r h ALA 443 Cb 0.54 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3i6r h ALA 443 CO 0.03 -0.41 -0.24 -0.44 0.00 0.00 0.00 179.25 178.19 3i6r h ASP 444 N 0.07 -0.77 -0.65 0.00 5.19 -1.50 -1.79 116.42 116.96 3i6r h ASP 444 Ca 0.29 0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.93 3i6r h ASP 444 Cb 0.47 0.35 -0.07 0.00 0.18 0.00 0.00 39.33 40.26 3i6r h ASP 444 CO -0.53 -0.28 0.29 0.58 -3.12 0.00 0.00 179.24 176.17 3i6r h VAL 445 N -0.27 0.82 -0.70 -1.35 2.07 -1.20 0.54 116.25 116.15 3i6r h VAL 445 Ca 0.12 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3i6r h VAL 445 Cb 0.46 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3i6r h VAL 445 CO -0.35 0.09 0.19 -0.07 0.02 0.00 0.00 177.57 177.45 3i6r h LEU 446 N 0.51 1.02 -0.26 2.57 3.38 -0.98 0.22 115.31 121.77 3i6r h LEU 446 Ca 0.32 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3i6r h LEU 446 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i6r h LEU 446 CO -0.28 0.97 -0.13 -0.07 0.09 0.00 0.00 178.44 179.02 3i6r h LEU 447 N 1.04 0.57 -0.87 1.67 3.38 -0.43 -0.93 115.31 119.75 3i6r h LEU 447 Ca 0.22 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3i6r h LEU 447 Cb 0.33 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3i6r h LEU 447 CO -0.00 0.85 0.55 -0.33 0.09 0.00 0.00 178.44 179.60 3i6r h GLU 448 N 0.29 1.00 -0.01 1.13 5.08 0.38 -2.84 114.58 119.61 3i6r h GLU 448 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i6r h GLU 448 Cb 0.64 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i6r h GLU 448 CO 0.04 0.66 -0.49 0.25 -1.00 0.00 0.00 179.01 178.47 3i6r n THR 449 N -4.58 0.00 -3.63 1.13 -2.24 0.04 -4.98 114.28 100.02 3i6r n THR 449 Ca 0.12 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 3i6r n THR 449 Cb 0.14 0.63 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 3i6r n THR 449 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i6r n ASN 450 N -0.89 -1.70 -4.77 3.42 2.85 -0.40 -4.93 115.26 108.83 3i6r n ASN 450 Ca 0.08 -0.75 -0.41 0.00 -0.11 0.00 0.00 54.58 53.40 3i6r n ASN 450 Cb 0.37 -4.38 -0.01 0.00 1.24 0.00 0.00 39.78 36.99 3i6r n ASN 450 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3i6r s ILE 451 N -3.56 2.50 0.36 -1.44 2.07 -0.90 -4.92 121.20 115.31 3i6r s ILE 451 Ca 0.05 0.50 0.06 0.00 -1.41 0.00 0.00 60.65 59.85 3i6r s ILE 451 Cb -0.02 -3.31 0.16 0.00 0.13 0.00 0.00 42.46 39.41 3i6r s ILE 451 CO 0.79 0.11 1.89 0.44 -1.91 0.00 0.00 174.94 176.26 3i6r h ASP 452 N 3.13 0.38 -5.42 4.50 3.32 -1.78 -3.46 116.42 117.09 3i6r h ASP 452 Ca -0.50 -0.07 0.27 0.00 0.02 0.00 0.00 57.03 56.75 3i6r h ASP 452 Cb 1.23 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3i6r h ASP 452 CO 0.64 0.49 0.72 -0.83 -1.72 0.00 0.00 179.24 178.54 3i6r s GLY 453 N -3.93 -0.36 -0.04 2.75 0.00 -1.11 -4.29 107.32 100.35 3i6r s GLY 453 Ca -0.07 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.35 3i6r s GLY 453 CO 0.75 0.15 -0.16 -3.16 0.00 0.00 0.00 173.10 170.68 3i6r s MET 454 N -2.69 1.65 -0.37 2.90 0.23 -0.13 -2.54 119.30 118.35 3i6r s MET 454 Ca 0.13 -0.56 -0.16 0.00 -1.03 0.00 0.00 55.69 54.07 3i6r s MET 454 Cb 0.02 -1.44 -0.00 0.00 -1.53 0.00 0.00 34.83 31.88 3i6r s MET 454 CO -0.03 0.22 0.42 0.42 -2.03 0.00 0.00 175.02 174.02 3i6r s ILE 455 N 0.07 5.11 -0.22 3.16 1.01 0.10 -0.39 121.20 130.04 3i6r s ILE 455 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3i6r s ILE 455 Cb -0.11 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.49 3i6r s ILE 455 CO 0.02 -0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 173.99 3i6r s ILE 456 N 2.15 1.95 0.33 2.92 1.01 0.42 -2.09 121.20 127.90 3i6r s ILE 456 Ca 0.14 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.57 3i6r s ILE 456 Cb -0.16 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3i6r s ILE 456 CO 0.13 0.16 0.35 -1.54 0.00 0.00 0.00 174.94 174.04 3i6r n SER 457 N 4.56 -0.91 -2.16 3.58 3.41 0.84 -0.14 113.62 122.80 3i6r n SER 457 Ca -0.16 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 3i6r n SER 457 Cb 0.45 1.93 0.00 0.00 -0.26 0.00 0.00 64.21 66.34 3i6r n SER 457 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i6r n ASN 458 N -1.68 0.00 -4.82 4.04 2.85 0.05 -4.24 115.26 111.46 3i6r n ASN 458 Ca 0.05 -0.80 -0.32 0.00 -0.11 0.00 0.00 54.58 53.40 3i6r n ASN 458 Cb 0.59 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.63 3i6r n ASN 458 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3i6r s THR 459 N -0.69 4.01 0.15 -0.44 -4.23 -1.26 -4.55 115.64 108.63 3i6r s THR 459 Ca 0.00 0.83 0.08 0.00 -1.18 0.00 0.00 61.69 61.42 3i6r s THR 459 Cb 0.00 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3i6r s THR 459 CO 0.00 -0.67 -0.09 0.28 -0.54 0.00 0.00 174.62 173.60 3i6r s THR 460 N -2.70 3.31 -0.84 3.99 -1.32 -1.15 -4.51 115.64 112.42 3i6r s THR 460 Ca 0.61 -1.47 0.12 0.00 -1.21 0.00 0.00 61.69 59.74 3i6r s THR 460 Cb -0.14 -2.60 0.34 0.00 -1.51 0.00 0.00 72.50 68.59 3i6r s THR 460 CO 0.43 -0.01 1.28 0.35 -2.21 0.00 0.00 174.62 174.46 3i6r n THR 461 N 0.32 1.18 -0.80 5.08 -2.24 -1.26 -0.03 114.28 116.52 3i6r n THR 461 Ca -0.12 -1.12 0.08 0.00 -2.27 0.00 0.00 64.05 60.63 3i6r n THR 461 Cb 0.54 0.40 0.36 0.00 -2.10 0.00 0.00 70.33 69.53 3i6r n THR 461 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i6r n GLN 462 N 0.40 4.15 -4.71 -0.78 1.13 -1.26 -4.91 117.38 111.39 3i6r n GLN 462 Ca 0.13 -2.99 -0.33 0.00 -1.94 0.00 0.00 57.00 51.87 3i6r n GLN 462 Cb 0.49 -2.04 -0.15 0.00 0.11 0.00 0.00 30.24 28.64 3i6r n GLN 462 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i6r s ILE 463 N -2.41 2.63 0.00 5.09 1.01 -1.26 -4.99 121.20 121.27 3i6r s ILE 463 Ca 0.51 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3i6r s ILE 463 Cb 0.37 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3i6r s ILE 463 CO 0.18 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.23 3i6r n ASN 464 N 3.84 2.04 0.31 3.58 5.03 -1.26 -4.77 115.26 124.03 3i6r n ASN 464 Ca -0.19 -0.29 0.19 0.00 0.87 0.00 0.00 54.58 55.17 3i6r n ASN 464 Cb 0.52 0.99 1.04 0.00 -1.02 0.00 0.00 39.78 41.31 3i6r n ASN 464 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3i6r h ASP 465 N 0.00 0.00 -3.71 6.41 3.32 -2.01 -3.41 116.42 117.02 3i6r h ASP 465 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3i6r h ASP 465 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3i6r h ASP 465 CO 0.00 0.00 0.86 -0.63 -1.72 0.00 0.00 179.24 177.75 3i6r s ILE 466 N -4.04 4.26 0.19 0.35 1.09 -1.26 -4.91 121.20 116.87 3i6r s ILE 466 Ca -0.04 1.12 -0.11 0.00 -1.10 0.00 0.00 60.65 60.52 3i6r s ILE 466 Cb 0.11 -4.57 0.10 0.00 -1.06 0.00 0.00 42.46 37.04 3i6r s ILE 466 CO 0.35 -0.98 1.78 0.11 -0.10 0.00 0.00 174.94 176.09 3i6r h LYS 467 N 9.20 0.94 0.00 2.79 1.57 -2.02 -2.09 116.57 126.97 3i6r h LYS 467 Ca -0.23 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 3i6r h LYS 467 Cb 1.06 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3i6r h LYS 467 CO 1.11 0.75 -0.05 0.77 -0.57 0.00 0.00 179.45 181.46 3i6r h SER 468 N 0.90 0.00 -0.02 0.86 0.02 -1.96 -2.70 113.55 110.66 3i6r h SER 468 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i6r h SER 468 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3i6r h SER 468 CO -0.03 0.05 -0.00 0.49 -1.14 0.00 0.00 176.83 176.20 3i6r n PHE 469 N -3.88 0.00 -0.31 3.45 0.99 -0.79 -4.50 117.46 112.42 3i6r n PHE 469 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.44 3i6r n PHE 469 Cb 0.14 -0.00 0.21 0.00 -1.00 0.00 0.00 39.48 38.82 3i6r n PHE 469 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3i6r h GLU 470 N 3.08 1.08 -0.22 -1.08 4.11 -1.39 -0.32 114.58 119.83 3i6r h GLU 470 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3i6r h GLU 470 Cb 0.65 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i6r h GLU 470 CO 0.00 0.72 0.00 0.27 0.07 0.00 0.00 179.01 180.07 3i6r n ASN 471 N -4.46 1.61 -4.95 3.06 6.94 -1.26 -4.97 115.26 111.23 3i6r n ASN 471 Ca 0.13 -1.81 -0.25 0.00 -0.02 0.00 0.00 54.58 52.63 3i6r n ASN 471 Cb 0.13 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 3i6r n ASN 471 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i6r s LYS 472 N -1.71 3.45 -0.05 -3.83 -0.14 -0.13 -5.11 119.74 112.21 3i6r s LYS 472 Ca 0.28 -0.60 0.06 0.00 -1.36 0.00 0.00 55.97 54.34 3i6r s LYS 472 Cb 0.15 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.36 3i6r s LYS 472 CO 0.22 0.48 -0.23 0.21 -0.76 0.00 0.00 175.35 175.27 3i6r s LYS 473 N -3.46 2.23 0.00 1.68 2.20 -1.26 -5.07 119.74 116.06 3i6r s LYS 473 Ca 0.35 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 3i6r s LYS 473 Cb -0.10 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 3i6r s LYS 473 CO 0.29 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 3i6r n GLY 474 N 2.93 0.71 3.75 5.54 0.00 -1.26 -4.04 105.19 112.82 3i6r n GLY 474 Ca -0.17 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 3i6r n GLY 474 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i6r s GLY 475 N 0.00 1.98 -0.12 -0.02 0.00 -0.70 -4.60 107.32 103.86 3i6r s GLY 475 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 3i6r s GLY 475 CO 0.00 -0.85 0.11 0.14 0.00 0.00 0.00 173.10 172.50 3i6r s VAL 476 N -1.23 5.21 0.37 1.40 1.01 0.96 -1.89 120.40 126.23 3i6r s VAL 476 Ca 0.24 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.40 3i6r s VAL 476 Cb -0.12 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 3i6r s VAL 476 CO 0.16 0.59 -0.04 -0.44 0.00 0.00 0.00 175.10 175.36 3i6r s SER 477 N -0.78 3.75 0.00 3.32 0.01 0.36 -2.93 113.70 117.42 3i6r s SER 477 Ca 0.13 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.11 3i6r s SER 477 Cb -0.12 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.75 3i6r s SER 477 CO 0.03 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.96 3i6r n GLY 478 N -0.86 -1.62 0.39 3.44 0.00 -1.26 -1.13 105.19 104.15 3i6r n GLY 478 Ca -0.05 -2.05 0.18 0.00 0.00 0.00 0.00 46.02 44.11 3i6r n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6r h ALA 479 N 0.00 2.28 0.00 4.61 0.00 -1.54 0.24 119.26 124.84 3i6r h ALA 479 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6r h ALA 479 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i6r h ALA 479 CO 0.00 -0.50 -0.00 0.87 0.00 0.00 0.00 179.25 179.62 3i6r h LYS 480 N 0.30 0.00 0.00 0.00 1.79 -1.82 -2.36 116.57 114.48 3i6r h LYS 480 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 3i6r h LYS 480 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3i6r h LYS 480 CO -0.10 0.00 -0.63 1.25 -1.08 0.00 0.00 179.45 178.89 3i6r h LEU 481 N 0.00 0.00 -0.06 2.94 5.85 -1.22 -3.42 115.31 119.40 3i6r h LEU 481 Ca -0.00 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3i6r h LEU 481 Cb 0.46 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3i6r h LEU 481 CO 0.00 0.03 -0.22 0.50 -0.34 0.00 0.00 178.44 178.41 3i6r h LYS 482 N 0.00 -0.31 -0.33 1.25 3.64 -1.37 -0.01 116.57 119.43 3i6r h LYS 482 Ca 0.00 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 3i6r h LYS 482 Cb 0.91 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3i6r h LYS 482 CO 0.00 -0.21 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.09 3i6r h ASP 483 N -0.32 0.93 0.15 4.20 3.32 -1.80 -1.95 116.42 120.94 3i6r h ASP 483 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3i6r h ASP 483 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3i6r h ASP 483 CO -0.25 1.23 -0.12 0.40 -1.72 0.00 0.00 179.24 178.78 3i6r h ILE 484 N 0.69 0.73 -0.26 0.35 2.04 -1.75 -2.20 117.51 117.11 3i6r h ILE 484 Ca 0.04 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 3i6r h ILE 484 Cb 1.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3i6r h ILE 484 CO 0.10 0.00 -0.28 0.77 0.00 0.00 0.00 178.15 178.74 3i6r h SER 485 N -0.28 0.52 0.09 1.72 4.64 -0.97 -1.72 113.55 117.54 3i6r h SER 485 Ca -0.00 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3i6r h SER 485 Cb 0.26 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3i6r h SER 485 CO -0.02 0.78 -0.04 0.74 -0.87 0.00 0.00 176.83 177.43 3i6r h THR 486 N 0.44 0.97 -0.94 2.95 2.02 -1.31 -0.99 112.91 116.05 3i6r h THR 486 Ca 0.06 -0.18 0.14 0.00 0.77 0.00 0.00 66.41 67.20 3i6r h THR 486 Cb 0.72 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 3i6r h THR 486 CO 0.06 0.04 0.56 0.50 0.37 0.00 0.00 175.52 177.05 3i6r h LYS 487 N -0.19 0.81 -0.37 6.66 3.64 -1.19 -0.83 116.57 125.09 3i6r h LYS 487 Ca -0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3i6r h LYS 487 Cb 0.16 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3i6r h LYS 487 CO 0.02 0.53 -0.12 0.35 -2.27 0.00 0.00 179.45 177.96 3i6r h PHE 488 N 0.83 0.71 -0.29 1.91 -0.00 -1.01 -2.53 116.94 116.56 3i6r h PHE 488 Ca 0.49 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.97 58.33 3i6r h PHE 488 Cb 0.59 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.34 3i6r h PHE 488 CO -0.03 0.74 0.14 0.82 -0.00 0.00 0.00 178.31 179.98 3i6r h ILE 489 N 0.60 1.15 -0.01 1.41 2.04 0.21 -2.67 117.51 120.23 3i6r h ILE 489 Ca 0.10 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3i6r h ILE 489 Cb 0.55 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3i6r h ILE 489 CO 0.03 0.15 -0.15 0.00 0.00 0.00 0.00 178.15 178.18 3i6r h GLU 491 N -0.25 -0.66 0.00 0.00 5.08 -1.43 -1.47 114.58 115.85 3i6r h GLU 491 Ca 0.05 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3i6r h GLU 491 Cb 0.32 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3i6r h GLU 491 CO -0.15 -0.44 -0.19 0.52 -1.00 0.00 0.00 179.01 177.75 3i6r h MET 492 N -0.68 0.00 -0.56 2.33 2.86 -1.45 0.18 114.93 117.61 3i6r h MET 492 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3i6r h MET 492 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3i6r h MET 492 CO -0.12 0.19 0.05 -0.92 1.06 0.00 0.00 176.91 177.17 3i6r h TYR 493 N 0.00 1.03 0.04 -0.22 3.20 -0.86 -1.89 116.97 118.28 3i6r h TYR 493 Ca -0.00 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 3i6r h TYR 493 Cb 0.35 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3i6r h TYR 493 CO 0.00 0.92 -0.02 -0.91 -1.64 0.00 0.00 178.16 176.51 3i6r h ASN 494 N 0.85 -0.05 0.13 -2.11 4.21 -0.25 -1.88 115.58 116.48 3i6r h ASN 494 Ca 0.16 -0.42 -0.02 0.00 1.21 0.00 0.00 56.30 57.23 3i6r h ASN 494 Cb 0.48 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 3i6r h ASN 494 CO 0.02 0.41 -0.08 1.88 -1.29 0.00 0.00 177.43 178.37 3i6r h TYR 495 N -0.52 0.00 -0.35 1.19 0.99 -0.71 -1.74 116.97 115.83 3i6r h TYR 495 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3i6r h TYR 495 Cb 0.47 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.20 3i6r h TYR 495 CO 0.08 0.08 0.00 0.25 -0.00 0.00 0.00 178.16 178.57 3i6r n THR 496 N -4.11 0.46 -1.33 -2.88 -2.24 -0.71 -4.73 114.28 98.74 3i6r n THR 496 Ca -0.03 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 61.00 3i6r n THR 496 Cb 0.17 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3i6r n THR 496 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i6r n ASN 497 N 1.16 -4.95 0.00 3.42 3.02 -0.65 -0.86 115.26 116.39 3i6r n ASN 497 Ca 0.18 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 3i6r n ASN 497 Cb 0.52 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 3i6r n ASN 497 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i6r n LYS 498 N -1.89 0.00 -0.23 3.52 5.02 -0.72 -4.87 118.16 118.99 3i6r n LYS 498 Ca -0.11 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.12 3i6r n LYS 498 Cb 0.47 -2.62 0.10 0.00 -0.02 0.00 0.00 35.03 32.96 3i6r n LYS 498 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3i6r h GLN 499 N 2.24 1.08 -5.25 1.97 1.08 -1.28 -3.44 115.11 111.51 3i6r h GLN 499 Ca 0.00 -0.22 -0.63 0.00 -1.45 0.00 0.00 58.65 56.34 3i6r h GLN 499 Cb 0.00 -0.16 -0.20 0.00 -0.05 0.00 0.00 27.48 27.07 3i6r h GLN 499 CO 0.00 0.92 -0.64 0.42 -0.95 0.00 0.00 178.83 178.58 3i6r s ILE 500 N -5.37 4.16 0.44 2.54 -1.09 -1.26 -5.08 121.20 115.54 3i6r s ILE 500 Ca -0.11 -0.25 -0.25 0.00 -2.23 0.00 0.00 60.65 57.80 3i6r s ILE 500 Cb 0.15 -2.85 -0.08 0.00 -1.58 0.00 0.00 42.46 38.10 3i6r s ILE 500 CO 0.83 0.47 1.27 -2.84 -1.23 0.00 0.00 174.94 173.44 3i6r s PRO 501 N 0.52 3.82 -0.08 2.79 0.02 -1.26 -4.85 135.00 135.95 3i6r s PRO 501 Ca -0.01 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.11 3i6r s PRO 501 Cb -0.14 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 3i6r s PRO 501 CO 0.02 -0.59 -0.21 0.42 -0.33 0.00 0.00 177.00 176.31 3i6r s ILE 502 N -1.34 2.35 -0.20 2.83 1.01 -1.26 -0.96 121.20 123.62 3i6r s ILE 502 Ca 0.60 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3i6r s ILE 502 Cb -0.36 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3i6r s ILE 502 CO 0.45 0.56 0.04 -0.63 0.00 0.00 0.00 174.94 175.36 3i6r s ILE 503 N 0.03 4.37 0.00 2.92 1.09 0.47 -0.83 121.20 129.26 3i6r s ILE 503 Ca -0.08 -0.17 -0.18 0.00 -1.10 0.00 0.00 60.65 59.11 3i6r s ILE 503 Cb -0.15 -2.99 -0.06 0.00 -1.06 0.00 0.00 42.46 38.21 3i6r s ILE 503 CO 0.05 0.42 0.53 0.00 -0.10 0.00 0.00 174.94 175.84 3i6r s ALA 504 N 0.87 3.57 -0.27 9.38 0.00 -0.19 -0.44 121.76 134.68 3i6r s ALA 504 Ca 0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 3i6r s ALA 504 Cb -0.14 -2.61 0.09 0.00 0.00 0.00 0.00 23.12 20.46 3i6r s ALA 504 CO 0.02 0.29 0.81 0.45 0.00 0.00 0.00 175.76 177.34 3i6r s SER 505 N -0.57 -0.66 0.05 0.00 0.15 0.80 -0.97 113.70 112.49 3i6r s SER 505 Ca 0.28 1.27 -0.00 0.00 0.70 0.00 0.00 55.95 58.20 3i6r s SER 505 Cb -0.18 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3i6r s SER 505 CO 0.16 -0.22 0.06 0.61 1.20 0.00 0.00 173.24 175.05 3i6r n GLY 506 N 2.60 3.17 0.15 9.45 0.00 -1.26 0.29 105.19 119.59 3i6r n GLY 506 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i6r n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6r n GLY 507 N -0.08 0.96 3.57 -0.02 0.00 -1.25 -3.90 105.19 104.47 3i6r n GLY 507 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3i6r n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6r s ILE 508 N -2.00 4.92 0.00 -0.61 1.01 -1.26 -4.61 121.20 118.65 3i6r s ILE 508 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3i6r s ILE 508 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3i6r s ILE 508 CO 0.00 0.34 0.00 0.49 0.00 0.00 0.00 174.94 175.77 3i6r n PHE 509 N 4.50 0.00 -4.60 3.97 3.01 -1.26 -4.52 117.46 118.55 3i6r n PHE 509 Ca -0.15 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.03 3i6r n PHE 509 Cb 0.52 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.88 3i6r n PHE 509 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i6r s SER 510 N -2.26 3.90 0.32 4.37 1.04 -1.26 -4.86 113.70 114.95 3i6r s SER 510 Ca 0.00 -1.36 0.01 0.00 0.48 0.00 0.00 55.95 55.08 3i6r s SER 510 Cb 0.00 -0.39 0.56 0.00 0.10 0.00 0.00 66.02 66.28 3i6r s SER 510 CO 0.00 -0.46 1.96 1.23 0.98 0.00 0.00 173.24 176.96 3i6r h GLY 511 N 1.75 1.10 0.97 7.32 0.00 -1.84 -1.42 103.07 110.95 3i6r h GLY 511 Ca -0.44 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 3i6r h GLY 511 CO 0.81 0.34 -0.08 -2.00 0.00 0.00 0.00 176.54 175.60 3i6r h LEU 512 N 0.98 -0.20 -0.87 3.11 5.85 -1.94 -0.48 115.31 121.76 3i6r h LEU 512 Ca 0.31 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.14 3i6r h LEU 512 Cb 0.02 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3i6r h LEU 512 CO -0.09 -0.14 0.51 0.44 -0.34 0.00 0.00 178.44 178.82 3i6r h ASP 513 N -0.22 0.72 -0.15 1.25 3.32 -1.86 -0.83 116.42 118.66 3i6r h ASP 513 Ca -0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3i6r h ASP 513 Cb 0.18 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3i6r h ASP 513 CO 0.02 0.40 0.07 0.00 -1.72 0.00 0.00 179.24 178.01 3i6r h ALA 514 N 1.48 0.20 -0.80 3.45 0.00 -0.96 -2.52 119.26 120.11 3i6r h ALA 514 Ca 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i6r h ALA 514 Cb 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3i6r h ALA 514 CO -0.26 -0.22 0.43 1.25 0.00 0.00 0.00 179.25 180.45 3i6r h LEU 515 N 0.10 1.00 -1.08 0.00 5.85 -0.47 -0.48 115.31 120.23 3i6r h LEU 515 Ca 0.05 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3i6r h LEU 515 Cb 0.15 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3i6r h LEU 515 CO -0.01 0.82 0.62 -0.33 -0.34 0.00 0.00 178.44 179.20 3i6r h GLU 516 N 1.12 1.17 -0.39 1.25 5.08 -1.05 0.21 114.58 121.98 3i6r h GLU 516 Ca 0.28 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 3i6r h GLU 516 Cb 0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3i6r h GLU 516 CO -0.04 0.78 -0.38 0.87 -1.00 0.00 0.00 179.01 179.23 3i6r h LYS 517 N 1.21 0.95 -0.20 2.33 1.79 -0.90 -2.78 116.57 118.97 3i6r h LYS 517 Ca 0.37 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3i6r h LYS 517 Cb -0.01 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3i6r h LYS 517 CO -0.11 1.15 -0.04 0.82 -1.08 0.00 0.00 179.45 180.20 3i6r h ILE 518 N 0.77 1.28 0.00 1.86 2.04 -0.22 -2.05 117.51 121.19 3i6r h ILE 518 Ca 0.06 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3i6r h ILE 518 Cb 0.97 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3i6r h ILE 518 CO 0.09 0.30 -0.07 -0.33 0.00 0.00 0.00 178.15 178.14 3i6r h GLU 519 N 0.11 0.00 0.00 2.37 5.08 -0.70 -0.97 114.58 120.46 3i6r h GLU 519 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3i6r h GLU 519 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3i6r h GLU 519 CO 0.02 0.07 -0.20 0.00 -1.00 0.00 0.00 179.01 177.90 3i6r h ALA 520 N 1.93 0.93 0.00 3.43 0.00 -1.19 -2.52 119.26 121.84 3i6r h ALA 520 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i6r h ALA 520 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i6r h ALA 520 CO 0.01 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.92 3i6r n GLY 521 N 0.62 0.30 3.80 0.00 0.00 -0.74 -4.06 105.19 105.12 3i6r n GLY 521 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3i6r n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6r s ALA 522 N -0.77 3.62 -0.14 4.61 0.00 -0.80 -4.24 121.76 124.04 3i6r s ALA 522 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 3i6r s ALA 522 Cb 0.00 -2.51 -0.25 0.00 0.00 0.00 0.00 23.12 20.36 3i6r s ALA 522 CO 0.00 0.35 0.46 0.77 0.00 0.00 0.00 175.76 177.34 3i6r h SER 523 N 5.10 0.26 -3.24 0.00 0.02 -1.31 -3.39 113.55 111.00 3i6r h SER 523 Ca -0.49 -0.79 -0.45 0.00 -0.84 0.00 0.00 61.79 59.23 3i6r h SER 523 Cb 1.21 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 3i6r h SER 523 CO 0.65 1.57 -0.72 -0.69 -1.14 0.00 0.00 176.83 176.51 3i6r s VAL 524 N -2.44 1.63 0.09 2.27 1.01 -1.22 -4.84 120.40 116.90 3i6r s VAL 524 Ca -0.22 -2.17 0.10 0.00 0.00 0.00 0.00 61.98 59.68 3i6r s VAL 524 Cb 0.05 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3i6r s VAL 524 CO 0.72 -0.53 -0.25 0.00 0.00 0.00 0.00 175.10 175.03 3i6r s GLN 526 N -1.66 2.17 -0.13 0.00 -0.21 -0.15 -1.26 119.66 118.42 3i6r s GLN 526 Ca 0.12 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3i6r s GLN 526 Cb -0.10 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 3i6r s GLN 526 CO 0.04 0.41 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.94 3i6r s LEU 527 N -0.29 2.45 -0.05 2.90 1.43 0.93 -4.61 118.68 121.44 3i6r s LEU 527 Ca 0.02 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 3i6r s LEU 527 Cb -0.12 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3i6r s LEU 527 CO 0.02 0.14 -0.15 0.00 0.23 0.00 0.00 176.35 176.59 3i6r n TYR 528 N 3.69 0.00 0.07 0.29 -0.00 -1.26 -3.00 117.16 116.95 3i6r n TYR 528 Ca -0.19 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.73 3i6r n TYR 528 Cb 0.52 -0.28 0.37 0.00 -0.00 0.00 0.00 39.34 39.96 3i6r n TYR 528 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 3i6r h SER 529 N -0.41 0.34 -0.91 2.98 0.02 -1.94 -2.53 113.55 111.09 3i6r h SER 529 Ca -0.10 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3i6r h SER 529 Cb 0.71 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 3i6r h SER 529 CO -0.06 0.43 0.52 0.00 -1.14 0.00 0.00 176.83 176.58 3i6r h LEU 531 N 1.27 0.93 -0.21 0.00 3.38 -1.75 0.31 115.31 119.25 3i6r h LEU 531 Ca 0.32 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3i6r h LEU 531 Cb -0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3i6r h LEU 531 CO -0.06 0.85 -0.32 0.58 0.09 0.00 0.00 178.44 179.58 3i6r h VAL 532 N 0.98 1.33 -0.65 1.22 2.07 -1.17 -2.50 116.25 117.54 3i6r h VAL 532 Ca 0.22 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 3i6r h VAL 532 Cb 0.23 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3i6r h VAL 532 CO -0.01 0.47 0.11 -0.26 0.02 0.00 0.00 177.57 177.90 3i6r h PHE 533 N 0.27 1.13 0.00 1.57 -1.00 -1.15 -3.39 116.94 114.37 3i6r h PHE 533 Ca 0.02 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.64 3i6r h PHE 533 Cb 0.90 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.15 3i6r h PHE 533 CO 0.09 0.96 -0.65 0.09 -1.61 0.00 0.00 178.31 177.18 3i6r n ASN 534 N -4.25 1.17 -0.02 2.17 4.13 0.11 -5.04 115.26 113.52 3i6r n ASN 534 Ca 0.04 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.81 3i6r n ASN 534 Cb 0.28 1.10 0.00 0.00 -1.54 0.00 0.00 39.78 39.63 3i6r n ASN 534 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i6r n GLY 535 N 1.43 -1.27 0.46 7.41 0.00 -0.94 -4.26 105.19 108.02 3i6r n GLY 535 Ca 0.01 -1.26 0.22 0.00 0.00 0.00 0.00 46.02 44.99 3i6r n GLY 535 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3i6r h MET 536 N 0.00 0.00 -0.01 1.61 2.86 -1.89 -2.17 114.93 115.33 3i6r h MET 536 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i6r h MET 536 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3i6r h MET 536 CO 0.00 0.00 -0.47 0.36 1.06 0.00 0.00 176.91 177.86 3i6r n LYS 537 N -3.23 0.62 -0.17 1.72 2.85 -1.26 -4.57 118.16 114.12 3i6r n LYS 537 Ca 0.15 -0.43 -0.02 0.00 -1.05 0.00 0.00 58.31 56.96 3i6r n LYS 537 Cb 1.19 -1.49 0.06 0.00 -0.65 0.00 0.00 35.03 34.14 3i6r n LYS 537 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 3i6r h SER 538 N 1.06 -0.23 -0.12 -5.58 0.02 -1.62 0.15 113.55 107.22 3i6r h SER 538 Ca 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3i6r h SER 538 Cb 0.56 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3i6r h SER 538 CO 0.00 -0.08 0.05 0.00 -1.14 0.00 0.00 176.83 175.66 3i6r h ALA 539 N 1.47 0.16 0.01 3.77 0.00 -1.81 0.80 119.26 123.65 3i6r h ALA 539 Ca 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3i6r h ALA 539 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i6r h ALA 539 CO -0.44 -0.25 -0.09 0.28 0.00 0.00 0.00 179.25 178.75 3i6r h VAL 540 N 0.04 0.78 0.01 0.00 2.07 -1.59 -1.94 116.25 115.62 3i6r h VAL 540 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3i6r h VAL 540 Cb 0.17 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3i6r h VAL 540 CO -0.00 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 176.97 3i6r h GLN 541 N -0.16 -0.02 -0.42 1.57 4.15 -0.92 -2.62 115.11 116.70 3i6r h GLN 541 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3i6r h GLN 541 Cb 0.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3i6r h GLN 541 CO -0.08 0.16 0.12 0.97 -1.93 0.00 0.00 178.83 178.06 3i6r h ILE 542 N -0.19 1.18 -0.28 2.39 2.10 -0.79 0.23 117.51 122.15 3i6r h ILE 542 Ca -0.00 -0.62 -0.06 0.00 1.08 0.00 0.00 64.86 65.26 3i6r h ILE 542 Cb 0.18 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 36.64 3i6r h ILE 542 CO 0.00 0.23 -0.05 0.11 -1.08 0.00 0.00 178.15 177.36 3i6r h LYS 543 N 0.60 0.53 0.49 2.19 1.57 -1.28 0.18 116.57 120.85 3i6r h LYS 543 Ca 0.14 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3i6r h LYS 543 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3i6r h LYS 543 CO -0.01 0.73 -0.24 0.00 -0.57 0.00 0.00 179.45 179.36 3i6r h ARG 544 N 0.30 -0.64 -0.78 3.15 3.08 -1.14 -0.54 114.38 117.81 3i6r h ARG 544 Ca 0.07 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.33 3i6r h ARG 544 Cb 0.52 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.61 3i6r h ARG 544 CO 0.02 -0.43 0.27 0.93 -1.07 0.00 0.00 179.97 179.70 3i6r h GLU 545 N -0.67 0.36 -0.41 0.04 5.08 -0.90 -0.78 114.58 117.30 3i6r h GLU 545 Ca -0.07 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3i6r h GLU 545 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3i6r h GLU 545 CO 0.11 0.24 -0.32 1.25 -1.00 0.00 0.00 179.01 179.29 3i6r h LEU 546 N 0.37 0.99 -0.22 1.33 5.85 -0.83 -2.12 115.31 120.68 3i6r h LEU 546 Ca 0.44 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3i6r h LEU 546 Cb 0.74 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3i6r h LEU 546 CO -0.47 1.22 0.12 0.78 -0.34 0.00 0.00 178.44 179.75 3i6r h ASN 547 N 0.77 0.18 -0.40 1.25 2.35 -0.04 0.57 115.58 120.26 3i6r h ASN 547 Ca 0.08 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3i6r h ASN 547 Cb 0.90 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3i6r h ASN 547 CO 0.08 0.14 0.26 0.45 -1.65 0.00 0.00 177.43 176.71 3i6r h HIS 548 N 0.25 0.51 -0.48 1.19 3.86 -1.21 -2.64 115.15 116.62 3i6r h HIS 548 Ca 0.09 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3i6r h HIS 548 Cb 0.01 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3i6r h HIS 548 CO -0.09 0.34 0.06 1.25 0.86 0.00 0.00 177.93 180.35 3i6r h LEU 549 N 0.53 0.72 -0.88 2.43 5.85 -1.11 -1.75 115.31 121.10 3i6r h LEU 549 Ca 0.14 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3i6r h LEU 549 Cb -0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3i6r h LEU 549 CO -0.03 0.75 0.04 -0.07 -0.34 0.00 0.00 178.44 178.78 3i6r h LEU 550 N 0.72 0.83 -0.16 2.25 3.38 -0.69 -2.51 115.31 119.13 3i6r h LEU 550 Ca 0.15 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3i6r h LEU 550 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i6r h LEU 550 CO 0.01 0.87 -0.17 0.22 0.09 0.00 0.00 178.44 179.46 3i6r h TYR 551 N 0.81 0.47 0.00 1.13 3.20 -1.18 -2.39 116.97 119.02 3i6r h TYR 551 Ca 0.16 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3i6r h TYR 551 Cb 0.43 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3i6r h TYR 551 CO 0.02 0.79 0.00 1.04 -1.64 0.00 0.00 178.16 178.37 3i6r n GLN 552 N -4.52 0.04 -0.09 1.82 6.02 -0.68 -1.63 117.38 118.34 3i6r n GLN 552 Ca -0.06 0.18 0.09 0.00 -0.01 0.00 0.00 57.00 57.21 3i6r n GLN 552 Cb 0.38 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.28 3i6r n GLN 552 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i6r n ARG 553 N -1.47 1.94 -0.98 -1.09 5.12 -0.95 -4.99 116.66 114.24 3i6r n ARG 553 Ca 0.05 -1.85 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 3i6r n ARG 553 Cb 0.20 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 3i6r n ARG 553 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i6r n GLY 554 N 1.07 0.55 3.74 -0.13 0.00 -0.64 -5.02 105.19 104.77 3i6r n GLY 554 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3i6r n GLY 554 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i6r s TYR 555 N -2.37 3.35 -0.08 1.61 1.51 -0.91 -4.98 117.35 115.49 3i6r s TYR 555 Ca 0.00 1.40 -0.27 0.00 -1.01 0.00 0.00 57.07 57.19 3i6r s TYR 555 Cb 0.00 -3.49 -0.23 0.00 -0.11 0.00 0.00 41.96 38.13 3i6r s TYR 555 CO 0.00 -1.39 1.00 -0.92 -1.11 0.00 0.00 175.55 173.13 3i6r h TYR 556 N 4.88 0.07 -4.15 2.71 5.03 -1.95 -3.40 116.97 120.15 3i6r h TYR 556 Ca -0.45 -0.04 -0.41 0.00 2.58 0.00 0.00 58.73 60.41 3i6r h TYR 556 Cb 1.21 -0.01 -0.14 0.00 1.55 0.00 0.00 36.73 39.35 3i6r h TYR 556 CO 0.61 0.82 -0.55 0.54 -1.32 0.00 0.00 178.16 178.25 3i6r s ASN 557 N -6.07 1.43 0.20 -2.11 2.20 -1.26 -4.89 114.94 104.44 3i6r s ASN 557 Ca -0.17 -1.57 -0.09 0.00 -0.94 0.00 0.00 52.86 50.08 3i6r s ASN 557 Cb -0.00 0.42 0.13 0.00 -2.00 0.00 0.00 41.25 39.79 3i6r s ASN 557 CO 0.70 -0.91 1.75 0.25 -2.94 0.00 0.00 177.10 175.95 3i6r h LEU 558 N 2.24 1.03 -2.49 3.54 6.46 -0.97 -2.96 115.31 122.16 3i6r h LEU 558 Ca -0.32 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 3i6r h LEU 558 Cb 1.25 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 3i6r h LEU 558 CO 0.50 0.94 0.00 0.11 -0.62 0.00 0.00 178.44 179.37 3i6r h LYS 559 N 1.06 0.00 0.00 1.25 1.57 -1.84 -0.92 116.57 117.68 3i6r h LYS 559 Ca 0.24 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3i6r h LYS 559 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3i6r h LYS 559 CO -0.01 0.00 -0.21 1.49 -0.57 0.00 0.00 179.45 180.15 3i6r h GLU 560 N 0.00 0.00 0.00 3.15 4.81 -1.93 -3.31 114.58 117.31 3i6r h GLU 560 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i6r h GLU 560 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3i6r h GLU 560 CO 0.00 0.21 -0.82 0.00 -0.73 0.00 0.00 179.01 177.67 3i6r n ALA 561 N -2.17 3.67 -1.75 2.92 0.00 -0.35 -4.80 120.51 118.02 3i6r n ALA 561 Ca 0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 3i6r n ALA 561 Cb 0.53 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3i6r n ALA 561 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i6r s ILE 562 N -3.09 3.17 -0.36 0.00 1.01 -1.23 -1.93 121.20 118.77 3i6r s ILE 562 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3i6r s ILE 562 Cb 0.16 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3i6r s ILE 562 CO 0.77 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.23 3i6r n GLY 563 N 5.24 0.54 2.62 6.18 0.00 -0.45 -4.89 105.19 114.44 3i6r n GLY 563 Ca 0.25 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3i6r n GLY 563 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i6r n ARG 564 N -2.48 4.33 -0.33 1.61 3.00 -0.81 -3.67 116.66 118.31 3i6r n ARG 564 Ca -0.04 -3.57 0.00 0.00 -0.00 0.00 0.00 57.85 54.24 3i6r n ARG 564 Cb 0.23 -2.71 0.01 0.00 0.00 0.00 0.00 32.46 29.99 3i6r n ARG 564 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i6r n LYS 565 N 2.29 0.11 0.00 -0.14 3.00 -1.10 -4.85 118.16 117.46 3i6r n LYS 565 Ca 0.53 -0.94 0.00 0.00 -0.00 0.00 0.00 58.31 57.91 3i6r n LYS 565 Cb 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 34.76 3i6r n LYS 565 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12