#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir2 s HIS 195 N 0.00 0.92 1.02 -0.14 4.02 -1.26 -5.15 115.29 114.70 3ir2 s HIS 195 Ca 0.00 -0.50 -0.15 0.00 1.02 0.00 0.00 55.06 55.43 3ir2 s HIS 195 Cb 0.00 -0.53 0.20 0.00 -1.02 0.00 0.00 32.58 31.23 3ir2 s HIS 195 CO 0.00 -0.02 1.17 -1.12 1.02 0.00 0.00 174.74 175.78 3ir2 s SER 196 N -1.73 2.55 0.21 1.40 0.01 -1.26 -5.00 113.70 109.89 3ir2 s SER 196 Ca -0.05 0.73 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 3ir2 s SER 196 Cb -0.09 -1.10 -0.08 0.00 0.21 0.00 0.00 66.02 64.96 3ir2 s SER 196 CO 0.01 -3.12 1.04 -0.32 0.41 0.00 0.00 173.24 171.26 3ir2 s MET 197 N -5.42 4.69 0.24 12.44 0.00 -0.09 -4.61 119.30 126.54 3ir2 s MET 197 Ca 0.68 1.65 -0.30 0.00 0.00 0.00 0.00 55.69 57.72 3ir2 s MET 197 Cb -0.11 -3.27 -0.10 0.00 0.00 0.00 0.00 34.83 31.35 3ir2 s MET 197 CO 0.54 0.24 1.51 0.34 0.00 0.00 0.00 175.02 177.66 3ir2 s ASP 198 N -0.58 6.57 0.20 1.11 3.68 -1.26 0.04 116.67 126.44 3ir2 s ASP 198 Ca 0.46 2.72 -0.11 0.00 2.13 0.00 0.00 52.55 57.75 3ir2 s ASP 198 Cb -0.28 -2.62 0.13 0.00 -1.45 0.00 0.00 42.92 38.70 3ir2 s ASP 198 CO 0.35 -0.78 1.87 -0.65 0.13 0.00 0.00 175.17 176.09 3ir2 h PRO 199 N 5.44 0.92 -0.37 4.34 0.11 -1.95 -1.01 132.00 139.48 3ir2 h PRO 199 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3ir2 h PRO 199 Cb 1.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3ir2 h PRO 199 CO 0.82 0.62 0.02 -1.35 -0.21 0.00 0.00 178.00 177.89 3ir2 h PRO 200 N 0.95 0.57 -0.20 1.05 0.11 -1.98 0.46 132.00 132.96 3ir2 h PRO 200 Ca 0.25 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ir2 h PRO 200 Cb -0.10 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3ir2 h PRO 200 CO -0.05 0.58 0.12 1.15 -0.21 0.00 0.00 178.00 179.59 3ir2 h THR 201 N 0.54 1.07 0.25 -1.15 2.02 -1.83 0.30 112.91 114.12 3ir2 h THR 201 Ca 0.12 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ir2 h THR 201 Cb 0.33 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3ir2 h THR 201 CO 0.01 0.07 -0.16 0.15 0.37 0.00 0.00 175.52 175.96 3ir2 h PHE 202 N 0.24 -0.41 -0.46 3.16 3.57 -0.71 -1.75 116.94 120.58 3ir2 h PHE 202 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3ir2 h PHE 202 Cb 0.01 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3ir2 h PHE 202 CO -0.05 -0.25 0.25 1.15 -2.23 0.00 0.00 178.31 177.18 3ir2 h THR 203 N -0.40 1.16 -0.43 4.41 2.02 -0.85 0.29 112.91 119.11 3ir2 h THR 203 Ca -0.02 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3ir2 h THR 203 Cb 0.34 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3ir2 h THR 203 CO 0.02 0.17 0.23 0.15 0.37 0.00 0.00 175.52 176.46 3ir2 h PHE 204 N 0.60 0.60 0.07 3.16 3.57 -0.90 -2.47 116.94 121.58 3ir2 h PHE 204 Ca 0.16 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.39 3ir2 h PHE 204 Cb 0.05 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3ir2 h PHE 204 CO -0.02 0.47 -1.18 -0.91 -2.23 0.00 0.00 178.31 174.44 3ir2 h ASN 205 N 0.56 0.25 0.30 0.41 2.35 -0.99 -3.35 115.58 115.11 3ir2 h ASN 205 Ca 0.15 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3ir2 h ASN 205 Cb 0.07 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3ir2 h ASN 205 CO -0.02 1.21 -1.00 0.49 -1.65 0.00 0.00 177.43 176.46 3ir2 n PHE 206 N -3.44 0.14 -1.62 1.19 3.01 0.06 -4.79 117.46 112.01 3ir2 n PHE 206 Ca -0.06 0.04 -0.63 0.00 1.01 0.00 0.00 57.45 57.81 3ir2 n PHE 206 Cb 0.99 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 3ir2 n PHE 206 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ir2 n ASN 207 N -1.79 0.95 -1.60 4.37 5.15 -0.93 -4.87 115.26 116.54 3ir2 n ASN 207 Ca 0.03 1.13 0.09 0.00 -0.60 0.00 0.00 54.58 55.23 3ir2 n ASN 207 Cb 0.40 -0.84 0.36 0.00 -0.53 0.00 0.00 39.78 39.17 3ir2 n ASN 207 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3ir2 n ASN 208 N 3.40 4.75 -4.68 1.20 0.23 -1.26 -4.94 115.26 113.96 3ir2 n ASN 208 Ca 0.28 -2.44 -0.42 0.00 -0.53 0.00 0.00 54.58 51.47 3ir2 n ASN 208 Cb -0.03 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.05 3ir2 n ASN 208 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3ir2 s GLU 209 N -1.84 4.18 0.18 -3.83 2.56 -1.26 -4.87 118.70 113.82 3ir2 s GLU 209 Ca 0.51 2.40 -0.06 0.00 0.00 0.00 0.00 54.97 57.82 3ir2 s GLU 209 Cb 0.33 -3.67 0.08 0.00 2.00 0.00 0.00 34.13 32.86 3ir2 s GLU 209 CO 0.25 -0.79 1.53 -1.00 -0.56 0.00 0.00 175.26 174.69 3ir2 h PRO 210 N 8.67 0.76 -1.17 4.30 0.13 -1.99 -3.35 132.00 139.34 3ir2 h PRO 210 Ca -0.44 -0.40 -0.27 0.00 -0.87 0.00 0.00 66.00 64.02 3ir2 h PRO 210 Cb 1.21 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3ir2 h PRO 210 CO 0.94 1.02 0.35 0.91 -0.23 0.00 0.00 178.00 180.99 3ir2 n TRP 211 N -4.04 1.49 -4.44 1.56 7.02 -1.26 -4.79 117.44 112.98 3ir2 n TRP 211 Ca -0.02 -1.41 -0.23 0.00 -1.02 0.00 0.00 57.50 54.82 3ir2 n TRP 211 Cb 0.54 -0.70 -0.10 0.00 -2.42 0.00 0.00 31.31 28.62 3ir2 n TRP 211 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3ir2 s VAL 212 N -1.80 2.30 0.37 -0.99 -7.23 -1.26 -5.16 120.40 106.63 3ir2 s VAL 212 Ca 0.28 -2.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3ir2 s VAL 212 Cb 0.23 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 3ir2 s VAL 212 CO 0.03 -0.42 0.07 -0.13 -0.31 0.00 0.00 175.10 174.34 3ir2 s ARG 213 N -3.45 1.80 0.00 4.82 1.81 -1.26 -4.89 118.95 117.78 3ir2 s ARG 213 Ca 0.27 -2.04 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 3ir2 s ARG 213 Cb -0.04 -0.94 0.00 0.00 -0.45 0.00 0.00 34.95 33.52 3ir2 s ARG 213 CO 0.13 -0.26 0.00 0.41 -0.68 0.00 0.00 175.30 174.90 3ir2 n GLY 214 N -0.82 0.67 2.84 -3.53 0.00 -1.26 -5.01 105.19 98.08 3ir2 n GLY 214 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3ir2 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir2 n ARG 215 N -1.87 3.56 0.21 1.61 3.00 -1.26 -4.74 116.66 117.17 3ir2 n ARG 215 Ca 0.00 -3.42 0.08 0.00 -0.01 0.00 0.00 57.85 54.50 3ir2 n ARG 215 Cb 0.00 -2.96 0.39 0.00 0.00 0.00 0.00 32.46 29.89 3ir2 n ARG 215 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 3ir2 h HIS 216 N 5.74 0.00 -4.11 -1.55 2.07 -2.00 -3.45 115.15 111.84 3ir2 h HIS 216 Ca 0.42 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.46 3ir2 h HIS 216 Cb 0.62 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.67 3ir2 h HIS 216 CO 1.28 0.28 0.31 -1.21 -3.07 0.00 0.00 177.93 175.52 3ir2 s GLU 217 N -3.59 2.72 -0.14 5.12 2.02 -1.26 -5.07 118.70 118.49 3ir2 s GLU 217 Ca 0.01 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.18 3ir2 s GLU 217 Cb 0.10 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 32.23 3ir2 s GLU 217 CO 0.66 -0.99 -0.15 0.99 0.02 0.00 0.00 175.26 175.79 3ir2 s THR 218 N -3.23 1.59 -0.07 3.63 2.01 -1.26 -4.84 115.64 113.47 3ir2 s THR 218 Ca 0.57 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3ir2 s THR 218 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3ir2 s THR 218 CO 0.48 0.46 0.16 -0.31 -0.69 0.00 0.00 174.62 174.72 3ir2 s TYR 219 N 1.33 3.58 -0.16 4.92 1.51 -1.26 -2.41 117.35 124.86 3ir2 s TYR 219 Ca 0.02 0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 56.49 3ir2 s TYR 219 Cb -0.13 -1.89 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 3ir2 s TYR 219 CO -0.08 0.70 0.06 -1.17 -1.11 0.00 0.00 175.55 173.95 3ir2 s LEU 220 N -1.42 0.62 -0.17 -1.29 0.20 -0.08 -1.44 118.68 115.09 3ir2 s LEU 220 Ca 0.20 -0.56 -0.09 0.00 0.69 0.00 0.00 54.13 54.37 3ir2 s LEU 220 Cb -0.12 -0.36 -0.05 0.00 -0.43 0.00 0.00 46.19 45.23 3ir2 s LEU 220 CO 0.10 -0.31 0.14 0.00 -0.29 0.00 0.00 176.35 176.00 3ir2 s TYR 222 N -0.18 1.32 0.08 0.00 -0.85 -0.39 0.80 117.35 118.13 3ir2 s TYR 222 Ca 0.11 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 3ir2 s TYR 222 Cb -0.12 -0.78 -0.03 0.00 0.38 0.00 0.00 41.96 41.41 3ir2 s TYR 222 CO 0.01 0.05 -0.08 -1.21 -1.52 0.00 0.00 175.55 172.79 3ir2 s GLU 223 N -1.22 0.73 -0.02 -3.49 2.02 -0.20 -2.39 118.70 114.13 3ir2 s GLU 223 Ca 0.02 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.98 3ir2 s GLU 223 Cb -0.08 -0.36 -0.00 0.00 0.10 0.00 0.00 34.13 33.78 3ir2 s GLU 223 CO 0.01 0.04 -0.12 0.08 0.02 0.00 0.00 175.26 175.30 3ir2 s VAL 224 N -2.40 0.97 0.12 2.63 1.01 -1.26 -1.03 120.40 120.44 3ir2 s VAL 224 Ca 0.02 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.63 3ir2 s VAL 224 Cb -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3ir2 s VAL 224 CO -0.01 0.29 -0.27 -1.61 0.00 0.00 0.00 175.10 173.50 3ir2 s GLU 225 N 0.03 1.44 -0.06 2.72 2.02 0.30 -1.08 118.70 124.08 3ir2 s GLU 225 Ca -0.01 -1.32 0.05 0.00 0.02 0.00 0.00 54.97 53.71 3ir2 s GLU 225 Cb -0.08 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3ir2 s GLU 225 CO 0.01 0.46 -0.20 0.50 0.02 0.00 0.00 175.26 176.04 3ir2 s ARG 226 N -1.95 2.62 -0.21 1.61 3.52 -0.16 -0.92 118.95 123.47 3ir2 s ARG 226 Ca 0.14 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 3ir2 s ARG 226 Cb -0.10 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 3ir2 s ARG 226 CO 0.05 0.45 1.51 1.41 -0.81 0.00 0.00 175.30 177.91 3ir2 s MET 227 N -0.30 3.93 -0.16 5.12 -2.45 -0.35 -0.24 119.30 124.85 3ir2 s MET 227 Ca 0.01 1.65 -0.00 0.00 -1.25 0.00 0.00 55.69 56.10 3ir2 s MET 227 Cb -0.13 -3.96 0.04 0.00 1.25 0.00 0.00 34.83 32.03 3ir2 s MET 227 CO 0.03 -1.12 -0.07 -1.58 1.05 0.00 0.00 175.02 173.32 3ir2 s HIS 228 N 4.65 1.82 -1.36 4.11 2.46 0.48 -4.75 115.29 122.70 3ir2 s HIS 228 Ca 0.66 -1.11 -0.13 0.00 0.47 0.00 0.00 55.06 54.95 3ir2 s HIS 228 Cb -0.24 -1.38 0.01 0.00 -0.13 0.00 0.00 32.58 30.84 3ir2 s HIS 228 CO 0.26 -0.62 0.40 0.09 -2.47 0.00 0.00 174.74 172.40 3ir2 n ASN 229 N 4.85 -1.68 0.00 9.88 3.02 -1.26 -1.39 115.26 128.68 3ir2 n ASN 229 Ca -0.13 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3ir2 n ASN 229 Cb 0.48 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 3ir2 n ASN 229 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ir2 n ASP 230 N -2.66 -2.13 -4.25 6.41 8.00 -1.26 -4.98 116.55 115.68 3ir2 n ASP 230 Ca -0.23 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.96 3ir2 n ASP 230 Cb 0.64 -1.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 3ir2 n ASP 230 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ir2 s THR 231 N -2.27 1.97 0.01 -3.53 2.01 -0.49 -5.11 115.64 108.25 3ir2 s THR 231 Ca 0.00 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 3ir2 s THR 231 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3ir2 s THR 231 CO 0.00 0.55 1.14 0.26 -0.69 0.00 0.00 174.62 175.88 3ir2 s TRP 232 N -0.12 3.44 -0.14 4.92 0.52 -1.26 -0.39 118.94 125.90 3ir2 s TRP 232 Ca -0.04 1.38 0.01 0.00 0.02 0.00 0.00 56.10 57.48 3ir2 s TRP 232 Cb -0.14 -3.34 0.02 0.00 -1.15 0.00 0.00 33.47 28.86 3ir2 s TRP 232 CO 0.04 -0.95 -0.18 0.08 0.02 0.00 0.00 176.95 175.95 3ir2 s VAL 233 N 1.35 1.80 0.25 4.03 1.01 0.67 -4.92 120.40 124.58 3ir2 s VAL 233 Ca 0.56 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 3ir2 s VAL 233 Cb -0.26 -1.63 -0.13 0.00 0.00 0.00 0.00 36.38 34.36 3ir2 s VAL 233 CO 0.27 0.50 1.54 0.29 0.00 0.00 0.00 175.10 177.70 3ir2 n LYS 234 N 4.41 2.40 -3.57 2.72 5.02 -1.26 -0.99 118.16 126.90 3ir2 n LYS 234 Ca -0.19 0.86 -0.41 0.00 -2.02 0.00 0.00 58.31 56.55 3ir2 n LYS 234 Cb 0.51 -2.60 -0.07 0.00 -0.02 0.00 0.00 35.03 32.84 3ir2 n LYS 234 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ir2 s LEU 235 N 0.12 5.77 0.11 -0.35 1.43 -0.24 -4.89 118.68 120.65 3ir2 s LEU 235 Ca 0.69 -2.45 0.22 0.00 -1.03 0.00 0.00 54.13 51.55 3ir2 s LEU 235 Cb -0.58 -2.00 0.87 0.00 0.03 0.00 0.00 46.19 44.52 3ir2 s LEU 235 CO 0.45 -0.54 1.67 0.59 0.23 0.00 0.00 176.35 178.76 3ir2 n ASN 236 N 4.15 0.34 0.21 2.29 5.03 -1.26 -1.41 115.26 124.59 3ir2 n ASN 236 Ca 0.03 0.56 0.14 0.00 0.87 0.00 0.00 54.58 56.19 3ir2 n ASN 236 Cb 0.41 -0.64 0.47 0.00 -1.02 0.00 0.00 39.78 39.00 3ir2 n ASN 236 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3ir2 h GLN 237 N 0.00 0.00 -0.00 3.52 4.20 -1.96 -3.15 115.11 117.72 3ir2 h GLN 237 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ir2 h GLN 237 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3ir2 h GLN 237 CO 0.00 0.00 -0.17 0.54 -0.67 0.00 0.00 178.83 178.53 3ir2 n ARG 238 N -2.78 0.23 -2.11 1.46 3.00 -0.50 -4.91 116.66 111.04 3ir2 n ARG 238 Ca 0.03 -0.07 -0.37 0.00 -0.01 0.00 0.00 57.85 57.43 3ir2 n ARG 238 Cb 0.36 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.34 3ir2 n ARG 238 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3ir2 s ARG 239 N -2.82 3.39 -0.01 5.56 3.00 -1.19 -4.69 118.95 122.19 3ir2 s ARG 239 Ca 0.19 1.85 -0.29 0.00 0.00 0.00 0.00 55.73 57.48 3ir2 s ARG 239 Cb 0.19 -2.20 0.10 0.00 0.00 0.00 0.00 34.95 33.04 3ir2 s ARG 239 CO 0.55 -0.87 1.28 0.20 0.00 0.00 0.00 175.30 176.46 3ir2 s GLY 240 N -1.40 -0.19 0.09 -3.53 0.00 -1.01 -5.03 107.32 96.25 3ir2 s GLY 240 Ca 0.70 0.19 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 3ir2 s GLY 240 CO 0.36 4.06 0.16 -0.11 0.00 0.00 0.00 173.10 177.57 3ir2 s PHE 241 N -2.12 0.21 0.30 1.90 -0.12 -1.26 -1.26 117.98 115.62 3ir2 s PHE 241 Ca 0.25 -0.65 -0.17 0.00 -0.05 0.00 0.00 56.93 56.31 3ir2 s PHE 241 Cb 0.01 -0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3ir2 s PHE 241 CO -0.01 -0.53 0.66 -0.48 -0.05 0.00 0.00 175.22 174.80 3ir2 s LEU 242 N -2.87 0.01 0.22 -1.99 0.05 -0.57 -5.00 118.68 108.53 3ir2 s LEU 242 Ca 0.06 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.40 3ir2 s LEU 242 Cb 0.05 2.44 -0.05 0.00 -2.05 0.00 0.00 46.19 46.58 3ir2 s LEU 242 CO -0.10 -1.36 0.10 0.00 -0.55 0.00 0.00 176.35 174.44 3ir2 s ALA 243 N -3.59 1.44 0.72 1.48 0.00 -1.26 -0.91 121.76 119.64 3ir2 s ALA 243 Ca 0.16 -1.76 -0.15 0.00 0.00 0.00 0.00 51.96 50.20 3ir2 s ALA 243 Cb -0.04 1.13 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3ir2 s ALA 243 CO 0.09 -0.50 1.22 0.54 0.00 0.00 0.00 175.76 177.11 3ir2 s ASN 244 N -3.23 4.23 0.22 0.00 4.22 -1.01 -4.51 114.94 114.86 3ir2 s ASN 244 Ca 0.36 2.40 -0.01 0.00 -2.14 0.00 0.00 52.86 53.48 3ir2 s ASN 244 Cb 0.07 -2.59 -0.04 0.00 1.28 0.00 0.00 41.25 39.97 3ir2 s ASN 244 CO 0.12 -2.24 0.42 -1.10 -2.04 0.00 0.00 177.10 172.25 3ir2 s GLN 245 N -3.83 3.53 0.54 3.55 -1.52 0.59 -4.90 119.66 117.62 3ir2 s GLN 245 Ca 0.76 -0.32 -0.17 0.00 -1.95 0.00 0.00 55.36 53.68 3ir2 s GLN 245 Cb -0.30 -2.81 -0.06 0.00 -0.22 0.00 0.00 33.01 29.61 3ir2 s GLN 245 CO 0.44 0.36 1.02 0.00 -0.25 0.00 0.00 175.29 176.87 3ir2 s ALA 246 N -1.93 2.90 0.59 6.09 0.00 -1.26 -3.93 121.76 124.21 3ir2 s ALA 246 Ca 0.39 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3ir2 s ALA 246 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3ir2 s ALA 246 CO 0.30 -0.47 1.12 -1.25 0.00 0.00 0.00 175.76 175.46 3ir2 s PRO 247 N -3.88 3.16 0.50 0.00 0.04 -1.26 -4.49 135.00 129.07 3ir2 s PRO 247 Ca 0.62 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 3ir2 s PRO 247 Cb -0.13 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3ir2 s PRO 247 CO 0.31 -0.98 1.12 -1.01 0.04 0.00 0.00 177.00 176.47 3ir2 s HIS 248 N -2.00 2.83 0.58 0.56 3.76 -1.26 -4.92 115.29 114.84 3ir2 s HIS 248 Ca 0.70 1.55 0.28 0.00 -0.15 0.00 0.00 55.06 57.44 3ir2 s HIS 248 Cb -0.22 -3.27 1.59 0.00 1.11 0.00 0.00 32.58 31.79 3ir2 s HIS 248 CO 0.32 -1.36 2.07 1.57 -0.85 0.00 0.00 174.74 176.50 3ir2 h LYS 249 N 1.62 0.00 0.00 1.40 -0.00 -1.97 -2.31 116.57 115.31 3ir2 h LYS 249 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.15 3ir2 h LYS 249 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3ir2 h LYS 249 CO 0.59 0.00 -0.03 1.12 -0.00 0.00 0.00 179.45 181.12 3ir2 h HIS 250 N 0.00 0.00 0.00 0.07 2.07 -1.98 -3.48 115.15 111.82 3ir2 h HIS 250 Ca 0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 3ir2 h HIS 250 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 3ir2 h HIS 250 CO 0.00 0.03 0.00 0.41 -3.07 0.00 0.00 177.93 175.30 3ir2 n GLY 251 N -1.18 -2.36 4.88 6.13 0.00 -0.87 -4.96 105.19 106.83 3ir2 n GLY 251 Ca -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3ir2 n GLY 251 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ir2 n PHE 252 N -0.21 0.00 -3.67 1.61 3.72 -1.26 -4.90 117.46 112.75 3ir2 n PHE 252 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 3ir2 n PHE 252 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3ir2 n PHE 252 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ir2 s LEU 253 N 0.00 4.35 0.67 4.37 1.02 -1.26 -5.08 118.68 122.75 3ir2 s LEU 253 Ca 0.00 0.58 -0.16 0.00 0.02 0.00 0.00 54.13 54.56 3ir2 s LEU 253 Cb 0.00 -2.29 0.01 0.00 0.02 0.00 0.00 46.19 43.93 3ir2 s LEU 253 CO 0.00 0.27 1.19 -1.61 0.02 0.00 0.00 176.35 176.23 3ir2 s GLU 254 N -0.46 2.55 0.32 1.70 2.02 -1.26 -4.43 118.70 119.14 3ir2 s GLU 254 Ca 0.17 1.72 -0.29 0.00 0.02 0.00 0.00 54.97 56.59 3ir2 s GLU 254 Cb -0.13 -1.89 -0.10 0.00 0.10 0.00 0.00 34.13 32.11 3ir2 s GLU 254 CO 0.06 -1.51 1.31 0.20 0.02 0.00 0.00 175.26 175.33 3ir2 s GLY 255 N -1.97 2.95 0.12 -1.39 0.00 -1.26 -4.81 107.32 100.96 3ir2 s GLY 255 Ca 0.74 1.25 -0.33 0.00 0.00 0.00 0.00 44.72 46.39 3ir2 s GLY 255 CO 0.40 1.93 1.75 -2.13 0.00 0.00 0.00 173.10 175.05 3ir2 n ARG 256 N 0.94 2.52 -2.36 2.90 0.63 -1.25 -4.66 116.66 115.37 3ir2 n ARG 256 Ca 0.00 0.91 -0.35 0.00 -0.92 0.00 0.00 57.85 57.50 3ir2 n ARG 256 Cb 0.42 -2.76 -0.01 0.00 0.45 0.00 0.00 32.46 30.56 3ir2 n ARG 256 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3ir2 s HIS 257 N 2.17 2.81 0.28 -0.14 3.76 -1.26 -0.30 115.29 122.61 3ir2 s HIS 257 Ca 0.82 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 57.30 3ir2 s HIS 257 Cb -0.57 -3.22 0.60 0.00 1.11 0.00 0.00 32.58 30.49 3ir2 s HIS 257 CO 0.39 -1.30 1.80 0.00 -0.85 0.00 0.00 174.74 174.78 3ir2 h ALA 258 N 1.43 1.50 -0.62 -1.40 0.00 -1.85 -1.73 119.26 116.60 3ir2 h ALA 258 Ca -0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3ir2 h ALA 258 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ir2 h ALA 258 CO 0.58 0.08 0.30 0.93 0.00 0.00 0.00 179.25 181.14 3ir2 h GLU 259 N 0.85 0.87 -0.29 0.00 3.07 -1.94 0.13 114.58 117.27 3ir2 h GLU 259 Ca 0.51 -0.11 -0.19 0.00 -0.50 0.00 0.00 59.36 59.08 3ir2 h GLU 259 Cb 0.64 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3ir2 h GLU 259 CO -0.32 0.67 -0.55 -0.07 -1.40 0.00 0.00 179.01 177.34 3ir2 h LEU 260 N 0.87 0.98 -0.98 1.33 3.38 -1.70 -1.30 115.31 117.88 3ir2 h LEU 260 Ca 0.22 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3ir2 h LEU 260 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3ir2 h LEU 260 CO -0.03 1.33 0.23 0.00 0.09 0.00 0.00 178.44 180.06 3ir2 h PHE 262 N 0.95 0.14 -0.45 0.00 3.57 -0.64 -1.98 116.94 118.53 3ir2 h PHE 262 Ca 0.22 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3ir2 h PHE 262 Cb 0.23 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ir2 h PHE 262 CO 0.02 0.13 0.26 -0.07 -2.23 0.00 0.00 178.31 176.42 3ir2 h LEU 263 N 0.10 0.53 -1.24 0.59 3.38 -0.83 -2.72 115.31 115.12 3ir2 h LEU 263 Ca 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ir2 h LEU 263 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3ir2 h LEU 263 CO -0.01 0.41 0.44 0.44 0.09 0.00 0.00 178.44 179.81 3ir2 h ASP 264 N 0.61 0.84 1.34 -0.43 3.32 0.28 -3.10 116.42 119.27 3ir2 h ASP 264 Ca 0.16 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3ir2 h ASP 264 Cb -0.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3ir2 h ASP 264 CO -0.03 0.63 -0.67 -0.37 -1.72 0.00 0.00 179.24 177.09 3ir2 h VAL 265 N 0.97 0.03 -0.77 -1.35 -1.51 -1.09 -3.39 116.25 109.13 3ir2 h VAL 265 Ca 0.26 -1.05 0.08 0.00 -1.23 0.00 0.00 66.70 64.76 3ir2 h VAL 265 Cb -0.06 1.70 -0.07 0.00 -2.13 0.00 0.00 31.29 30.73 3ir2 h VAL 265 CO -0.05 0.02 0.43 0.40 -1.23 0.00 0.00 177.57 177.14 3ir2 h ILE 266 N 0.00 0.92 -0.07 7.19 2.04 -1.46 -1.53 117.51 124.61 3ir2 h ILE 266 Ca -0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3ir2 h ILE 266 Cb 1.02 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3ir2 h ILE 266 CO 0.00 0.14 0.05 -0.65 0.00 0.00 0.00 178.15 177.68 3ir2 h PRO 267 N 0.74 0.06 0.00 2.37 0.11 -1.77 -1.81 132.00 131.70 3ir2 h PRO 267 Ca 0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3ir2 h PRO 267 Cb 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3ir2 h PRO 267 CO -0.23 0.04 0.00 0.74 -0.21 0.00 0.00 178.00 178.33 3ir2 h PHE 268 N 0.06 0.00 0.00 0.65 0.04 -1.53 -2.14 116.94 114.01 3ir2 h PHE 268 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ir2 h PHE 268 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3ir2 h PHE 268 CO -0.00 0.00 0.00 -1.49 -0.60 0.00 0.00 178.31 176.22 3ir2 h TRP 269 N 0.00 0.00 -6.09 -0.55 6.55 -1.27 -3.47 115.95 111.12 3ir2 h TRP 269 Ca 0.00 0.00 -0.41 0.00 0.95 0.00 0.00 58.89 59.43 3ir2 h TRP 269 Cb 0.55 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 28.91 3ir2 h TRP 269 CO 0.00 0.00 -0.85 0.36 -1.05 0.00 0.00 178.44 176.90 3ir2 n LYS 270 N -2.90 -4.00 -2.30 0.49 2.85 -0.81 -4.92 118.16 106.57 3ir2 n LYS 270 Ca -0.00 0.60 -0.37 0.00 -1.05 0.00 0.00 58.31 57.49 3ir2 n LYS 270 Cb 0.23 -5.01 -0.01 0.00 -0.65 0.00 0.00 35.03 29.58 3ir2 n LYS 270 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ir2 s LEU 271 N -6.56 4.03 -0.39 -5.58 1.43 -1.26 -4.97 118.68 105.37 3ir2 s LEU 271 Ca 0.11 2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 3ir2 s LEU 271 Cb -0.03 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 41.97 3ir2 s LEU 271 CO 0.82 -0.86 1.19 -0.62 0.23 0.00 0.00 176.35 177.11 3ir2 s ASP 272 N -1.39 6.69 0.44 2.29 -1.08 -1.26 -4.91 116.67 117.45 3ir2 s ASP 272 Ca 0.63 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.78 3ir2 s ASP 272 Cb -0.28 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.13 3ir2 s ASP 272 CO 0.34 -1.13 1.91 -0.07 0.52 0.00 0.00 175.17 176.73 3ir2 h LEU 273 N 10.95 0.00 -0.23 -1.34 4.07 -1.98 0.08 115.31 126.85 3ir2 h LEU 273 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3ir2 h LEU 273 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 3ir2 h LEU 273 CO 1.08 0.00 -0.35 0.47 -1.08 0.00 0.00 178.44 178.56 3ir2 n ASP 274 N -2.61 0.71 -5.01 -0.43 8.00 -1.26 -4.69 116.55 111.26 3ir2 n ASP 274 Ca -0.01 -0.53 -0.20 0.00 0.71 0.00 0.00 54.79 54.77 3ir2 n ASP 274 Cb 0.14 0.15 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 3ir2 n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ir2 s GLN 275 N -2.74 2.40 -0.08 -1.24 -1.52 0.01 -5.12 119.66 111.37 3ir2 s GLN 275 Ca 0.18 -1.60 0.04 0.00 -1.95 0.00 0.00 55.36 52.03 3ir2 s GLN 275 Cb 0.18 -2.61 -0.00 0.00 -0.22 0.00 0.00 33.01 30.36 3ir2 s GLN 275 CO 0.60 -0.72 -0.22 -0.51 -0.25 0.00 0.00 175.29 174.19 3ir2 s ASP 276 N -4.56 2.85 0.04 5.90 1.01 -1.26 -4.63 116.67 116.01 3ir2 s ASP 276 Ca 0.58 -0.50 0.07 0.00 0.71 0.00 0.00 52.55 53.40 3ir2 s ASP 276 Cb -0.06 -1.18 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 3ir2 s ASP 276 CO 0.36 0.16 -0.19 -0.31 0.21 0.00 0.00 175.17 175.40 3ir2 s TYR 277 N 0.28 1.66 -0.23 4.23 1.51 0.06 -1.21 117.35 123.65 3ir2 s TYR 277 Ca -0.15 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 3ir2 s TYR 277 Cb -0.17 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3ir2 s TYR 277 CO 0.07 0.07 -0.03 0.50 -1.11 0.00 0.00 175.55 175.05 3ir2 s ARG 278 N -1.13 3.37 -0.25 -0.62 3.52 -0.09 -0.77 118.95 122.96 3ir2 s ARG 278 Ca 0.06 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.98 3ir2 s ARG 278 Cb -0.08 -3.05 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3ir2 s ARG 278 CO 0.02 -0.21 0.02 0.08 -0.81 0.00 0.00 175.30 174.39 3ir2 s VAL 279 N 1.49 3.66 -0.18 7.11 1.01 0.28 -0.54 120.40 133.23 3ir2 s VAL 279 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ir2 s VAL 279 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3ir2 s VAL 279 CO -0.03 0.26 -0.05 -0.89 0.00 0.00 0.00 175.10 174.40 3ir2 s THR 280 N 1.49 3.63 -0.13 3.92 2.01 -0.20 -1.01 115.64 125.35 3ir2 s THR 280 Ca 0.04 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 3ir2 s THR 280 Cb -0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3ir2 s THR 280 CO -0.00 0.47 -0.05 0.00 -0.69 0.00 0.00 174.62 174.34 3ir2 s PHE 282 N 0.01 3.13 0.01 0.00 0.40 0.24 -0.82 117.98 120.95 3ir2 s PHE 282 Ca 0.00 -0.71 0.08 0.00 -0.60 0.00 0.00 56.93 55.70 3ir2 s PHE 282 Cb -0.13 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 3ir2 s PHE 282 CO 0.03 -0.48 -0.25 0.95 0.70 0.00 0.00 175.22 176.17 3ir2 s THR 283 N 1.56 2.18 0.22 0.64 -4.23 -0.34 -0.46 115.64 115.21 3ir2 s THR 283 Ca 0.04 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3ir2 s THR 283 Cb -0.16 -1.81 -0.08 0.00 1.34 0.00 0.00 72.50 71.78 3ir2 s THR 283 CO 0.03 0.48 1.50 0.77 -0.54 0.00 0.00 174.62 176.86 3ir2 h SER 284 N 5.13 0.08 -4.18 3.99 4.64 -1.55 0.32 113.55 121.97 3ir2 h SER 284 Ca -0.45 -0.05 -0.44 0.00 -0.47 0.00 0.00 61.79 60.38 3ir2 h SER 284 Cb 1.13 -0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 63.00 3ir2 h SER 284 CO 0.46 0.78 -0.78 0.26 -0.87 0.00 0.00 176.83 176.68 3ir2 s TRP 285 N -3.39 1.42 0.60 4.77 0.52 -1.26 -2.64 118.94 118.95 3ir2 s TRP 285 Ca -0.01 -0.50 -0.15 0.00 0.02 0.00 0.00 56.10 55.46 3ir2 s TRP 285 Cb 0.12 -0.76 -0.04 0.00 -1.15 0.00 0.00 33.47 31.64 3ir2 s TRP 285 CO 0.79 0.13 1.04 -1.54 0.02 0.00 0.00 176.95 177.40 3ir2 s SER 286 N -2.17 5.88 0.35 2.95 1.04 -0.89 -4.88 113.70 115.98 3ir2 s SER 286 Ca 0.05 1.72 -0.28 0.00 0.48 0.00 0.00 55.95 57.92 3ir2 s SER 286 Cb -0.07 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 3ir2 s SER 286 CO 0.03 -1.10 1.33 -2.84 0.98 0.00 0.00 173.24 171.64 3ir2 s PRO 287 N -4.31 4.24 1.09 4.02 0.02 -1.26 -4.49 135.00 134.31 3ir2 s PRO 287 Ca 0.61 2.26 -0.12 0.00 0.02 0.00 0.00 61.00 63.77 3ir2 s PRO 287 Cb -0.14 -2.99 0.24 0.00 0.02 0.00 0.00 34.50 31.63 3ir2 s PRO 287 CO 0.40 -0.30 1.06 0.00 -0.33 0.00 0.00 177.00 177.83 3ir2 h PHE 289 N -2.41 0.56 0.00 0.00 3.57 -1.85 -0.19 116.94 116.63 3ir2 h PHE 289 Ca -0.56 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 60.82 3ir2 h PHE 289 Cb 1.31 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3ir2 h PHE 289 CO 0.34 0.35 -0.62 0.66 -2.23 0.00 0.00 178.31 176.81 3ir2 h SER 290 N 0.61 0.00 -0.42 0.41 4.64 -1.94 -0.23 113.55 116.62 3ir2 h SER 290 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3ir2 h SER 290 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3ir2 h SER 290 CO -0.04 0.62 -0.11 0.00 -0.87 0.00 0.00 176.83 176.43 3ir2 h ALA 292 N 0.85 1.02 -0.38 0.00 0.00 -0.58 -0.23 119.26 119.93 3ir2 h ALA 292 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ir2 h ALA 292 Cb 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ir2 h ALA 292 CO 0.04 0.40 0.23 0.37 0.00 0.00 0.00 179.25 180.30 3ir2 h GLN 293 N 1.06 0.51 -0.55 0.00 4.15 -1.00 0.01 115.11 119.29 3ir2 h GLN 293 Ca 0.30 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.58 3ir2 h GLN 293 Cb -0.10 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3ir2 h GLN 293 CO -0.07 0.37 -0.04 1.49 -1.93 0.00 0.00 178.83 178.65 3ir2 h GLU 294 N 0.50 0.98 -0.54 1.69 4.57 -0.91 -0.99 114.58 119.88 3ir2 h GLU 294 Ca 0.14 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 3ir2 h GLU 294 Cb -0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3ir2 h GLU 294 CO -0.03 0.99 -0.05 0.52 -1.18 0.00 0.00 179.01 179.26 3ir2 h MET 295 N 0.89 0.96 -0.45 1.92 2.86 -0.87 0.04 114.93 120.27 3ir2 h MET 295 Ca 0.16 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3ir2 h MET 295 Cb 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3ir2 h MET 295 CO 0.03 0.98 0.22 0.00 1.06 0.00 0.00 176.91 179.20 3ir2 h ALA 296 N 1.06 0.58 -0.71 6.32 0.00 -0.69 -1.53 119.26 124.30 3ir2 h ALA 296 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ir2 h ALA 296 Cb 0.58 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ir2 h ALA 296 CO 0.04 0.14 0.42 1.57 0.00 0.00 0.00 179.25 181.41 3ir2 h LYS 297 N 0.59 0.96 0.14 0.00 2.10 -0.96 -1.49 116.57 117.90 3ir2 h LYS 297 Ca 0.16 -0.09 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3ir2 h LYS 297 Cb 0.11 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 3ir2 h LYS 297 CO -0.02 0.69 -0.09 0.35 -2.00 0.00 0.00 179.45 178.38 3ir2 h PHE 298 N 0.96 -0.23 0.00 0.07 3.57 -0.51 -2.40 116.94 118.40 3ir2 h PHE 298 Ca 0.25 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3ir2 h PHE 298 Cb -0.02 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3ir2 h PHE 298 CO -0.01 -0.14 -0.21 -0.84 -2.23 0.00 0.00 178.31 174.88 3ir2 h ILE 299 N -0.22 0.64 -0.82 1.41 3.07 -1.23 -1.43 117.51 118.92 3ir2 h ILE 299 Ca -0.01 -0.93 -0.02 0.00 1.55 0.00 0.00 64.86 65.45 3ir2 h ILE 299 Cb 0.19 1.61 -0.04 0.00 -0.27 0.00 0.00 36.82 38.31 3ir2 h ILE 299 CO 0.01 0.20 0.45 0.28 -1.05 0.00 0.00 178.15 178.04 3ir2 h SER 300 N 0.00 1.01 0.01 2.16 0.02 -0.92 -3.17 113.55 112.66 3ir2 h SER 300 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3ir2 h SER 300 Cb 0.59 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ir2 h SER 300 CO 0.03 0.81 -0.36 0.29 -1.14 0.00 0.00 176.83 176.46 3ir2 n LYS 301 N -4.34 1.36 -3.55 3.45 4.01 -0.75 -4.62 118.16 113.71 3ir2 n LYS 301 Ca 0.08 -1.09 -0.27 0.00 -0.51 0.00 0.00 58.31 56.53 3ir2 n LYS 301 Cb 0.10 -1.48 -0.10 0.00 -0.51 0.00 0.00 35.03 33.04 3ir2 n LYS 301 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3ir2 n ASN 302 N 0.13 1.24 0.20 4.39 3.02 -0.62 -4.96 115.26 118.67 3ir2 n ASN 302 Ca 0.11 -2.81 0.14 0.00 -0.03 0.00 0.00 54.58 51.99 3ir2 n ASN 302 Cb 0.47 -0.65 0.58 0.00 -0.61 0.00 0.00 39.78 39.57 3ir2 n ASN 302 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3ir2 h LYS 303 N 5.20 0.00 0.00 3.52 1.79 -1.82 -1.38 116.57 123.87 3ir2 h LYS 303 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3ir2 h LYS 303 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3ir2 h LYS 303 CO 0.55 0.00 0.00 -2.39 -1.08 0.00 0.00 179.45 176.53 3ir2 n HIS 304 N -2.65 0.00 -4.57 -1.35 1.44 -1.26 -4.69 115.22 102.13 3ir2 n HIS 304 Ca 0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.39 3ir2 n HIS 304 Cb 0.28 -0.40 -0.14 0.00 0.12 0.00 0.00 29.99 29.85 3ir2 n HIS 304 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3ir2 s VAL 305 N -2.80 3.15 -0.29 0.61 1.01 -0.52 -0.76 120.40 120.80 3ir2 s VAL 305 Ca 0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3ir2 s VAL 305 Cb 0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3ir2 s VAL 305 CO 0.21 0.51 0.15 -0.44 0.00 0.00 0.00 175.10 175.52 3ir2 s SER 306 N 0.57 5.59 -0.20 3.32 0.01 0.05 -4.97 113.70 118.06 3ir2 s SER 306 Ca -0.07 -0.29 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 3ir2 s SER 306 Cb -0.15 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 3ir2 s SER 306 CO 0.03 -0.11 0.14 -0.22 0.41 0.00 0.00 173.24 173.49 3ir2 s LEU 307 N 1.66 4.20 -0.14 2.44 2.96 -1.26 -0.56 118.68 127.98 3ir2 s LEU 307 Ca 0.06 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3ir2 s LEU 307 Cb -0.16 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3ir2 s LEU 307 CO 0.07 0.16 -0.20 0.00 -1.32 0.00 0.00 176.35 175.07 3ir2 s ILE 309 N 0.77 3.01 -0.24 0.00 1.01 -0.25 -0.55 121.20 124.95 3ir2 s ILE 309 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3ir2 s ILE 309 Cb -0.16 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.03 3ir2 s ILE 309 CO -0.00 0.47 -0.12 -0.54 0.00 0.00 0.00 174.94 174.74 3ir2 s LYS 310 N 1.23 2.30 -0.06 2.79 1.02 -0.00 -0.78 119.74 126.25 3ir2 s LYS 310 Ca 0.03 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 54.86 3ir2 s LYS 310 Cb -0.14 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3ir2 s LYS 310 CO -0.04 -0.50 -0.14 -0.08 -0.92 0.00 0.00 175.35 173.67 3ir2 s THR 311 N 1.19 3.09 0.18 2.17 -1.32 -0.59 -1.20 115.64 119.16 3ir2 s THR 311 Ca -0.06 -0.71 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 3ir2 s THR 311 Cb -0.18 -2.22 0.06 0.00 -1.51 0.00 0.00 72.50 68.65 3ir2 s THR 311 CO -0.07 0.58 1.64 0.00 -2.21 0.00 0.00 174.62 174.57 3ir2 h ALA 312 N 5.48 0.83 -2.47 11.08 0.00 -0.48 -1.33 119.26 132.37 3ir2 h ALA 312 Ca -0.44 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 3ir2 h ALA 312 Cb 1.16 -0.22 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 3ir2 h ALA 312 CO 0.51 0.67 -0.61 1.03 0.00 0.00 0.00 179.25 180.85 3ir2 s ARG 313 N -4.99 0.59 -0.22 0.00 0.52 -1.08 -4.75 118.95 109.01 3ir2 s ARG 313 Ca -0.12 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 53.99 3ir2 s ARG 313 Cb 0.14 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.78 3ir2 s ARG 313 CO 0.86 -0.13 0.25 0.42 0.02 0.00 0.00 175.30 176.71 3ir2 s ILE 314 N -3.22 5.30 -0.42 1.52 1.01 -1.26 -2.10 121.20 122.04 3ir2 s ILE 314 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 3ir2 s ILE 314 Cb 0.03 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.93 3ir2 s ILE 314 CO -0.07 0.32 0.60 -0.47 0.00 0.00 0.00 174.94 175.32 3ir2 s TYR 315 N 1.09 3.10 -0.29 3.97 5.04 -1.26 -4.88 117.35 124.12 3ir2 s TYR 315 Ca 0.12 -0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 3ir2 s TYR 315 Cb -0.14 -3.23 0.08 0.00 0.35 0.00 0.00 41.96 39.03 3ir2 s TYR 315 CO 0.05 -0.79 -0.01 0.34 -1.34 0.00 0.00 175.55 173.80 3ir2 s ASP 316 N 1.93 4.42 0.00 4.32 -1.08 -1.26 -4.86 116.67 120.15 3ir2 s ASP 316 Ca 0.21 -1.70 0.13 0.00 -0.52 0.00 0.00 52.55 50.67 3ir2 s ASP 316 Cb -0.15 -1.44 0.67 0.00 -1.46 0.00 0.00 42.92 40.54 3ir2 s ASP 316 CO 0.17 -0.30 1.44 -0.90 0.52 0.00 0.00 175.17 176.11 3ir2 n ASP 317 N 4.44 0.30 -1.18 -0.34 5.68 -1.26 -4.87 116.55 119.32 3ir2 n ASP 317 Ca -0.05 -1.67 -0.15 0.00 -0.50 0.00 0.00 54.79 52.42 3ir2 n ASP 317 Cb 0.42 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 3ir2 n ASP 317 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ir2 n GLN 318 N -0.50 -1.23 0.00 0.11 6.02 -1.26 -4.85 117.38 115.67 3ir2 n GLN 318 Ca 0.10 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 3ir2 n GLN 318 Cb 0.09 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.09 3ir2 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir2 n GLY 319 N -0.77 1.37 0.93 1.08 0.00 -1.26 -4.99 105.19 101.55 3ir2 n GLY 319 Ca -0.15 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3ir2 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir2 n ARG 320 N 0.00 2.13 -0.19 1.61 1.74 -1.26 -4.59 116.66 116.10 3ir2 n ARG 320 Ca 0.00 -1.92 -0.04 0.00 -0.77 0.00 0.00 57.85 55.12 3ir2 n ARG 320 Cb 0.00 -1.43 0.06 0.00 -1.02 0.00 0.00 32.46 30.07 3ir2 n ARG 320 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ir2 h ALA 321 N 4.19 0.74 -0.58 7.54 0.00 -1.93 -1.06 119.26 128.16 3ir2 h ALA 321 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ir2 h ALA 321 Cb 0.91 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ir2 h ALA 321 CO 0.00 -0.02 0.09 1.96 0.00 0.00 0.00 179.25 181.27 3ir2 h GLN 322 N 0.59 0.97 -0.60 0.00 4.20 -1.89 -1.92 115.11 116.45 3ir2 h GLN 322 Ca 0.25 -0.26 0.09 0.00 0.06 0.00 0.00 58.65 58.79 3ir2 h GLN 322 Cb 0.13 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 3ir2 h GLN 322 CO -0.16 0.92 0.22 1.49 -0.67 0.00 0.00 178.83 180.64 3ir2 h GLU 323 N 0.87 0.38 -0.41 1.46 4.81 -1.72 -1.37 114.58 118.60 3ir2 h GLU 323 Ca 0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3ir2 h GLU 323 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3ir2 h GLU 323 CO 0.01 0.25 0.27 0.78 -0.73 0.00 0.00 179.01 179.60 3ir2 h GLY 324 N 0.40 0.57 1.00 1.92 0.00 -0.58 0.67 103.07 107.05 3ir2 h GLY 324 Ca 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3ir2 h GLY 324 CO -0.31 0.21 0.39 1.41 0.00 0.00 0.00 176.54 178.24 3ir2 h LEU 325 N 0.55 0.84 -0.59 3.11 3.38 -1.11 0.21 115.31 121.70 3ir2 h LEU 325 Ca 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3ir2 h LEU 325 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3ir2 h LEU 325 CO -0.03 0.68 0.13 0.03 0.09 0.00 0.00 178.44 179.33 3ir2 h ARG 326 N 0.94 0.97 -0.61 1.13 3.08 -0.91 -1.28 114.38 117.69 3ir2 h ARG 326 Ca 0.24 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3ir2 h ARG 326 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3ir2 h ARG 326 CO -0.04 0.90 0.08 1.15 -1.07 0.00 0.00 179.97 180.98 3ir2 h THR 327 N 0.87 1.26 -0.47 2.04 2.02 -0.64 -1.26 112.91 116.73 3ir2 h THR 327 Ca 0.18 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 3ir2 h THR 327 Cb 0.38 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3ir2 h THR 327 CO 0.01 0.38 0.11 0.25 0.37 0.00 0.00 175.52 176.64 3ir2 h LEU 328 N 0.93 0.72 -0.64 2.58 5.85 -0.82 -2.47 115.31 121.46 3ir2 h LEU 328 Ca 0.18 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3ir2 h LEU 328 Cb 0.46 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3ir2 h LEU 328 CO 0.02 0.77 0.36 0.00 -0.34 0.00 0.00 178.44 179.24 3ir2 h ALA 329 N 0.98 0.82 -0.41 1.25 0.00 -1.09 -2.51 119.26 118.30 3ir2 h ALA 329 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ir2 h ALA 329 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ir2 h ALA 329 CO 0.00 0.33 0.27 1.05 0.00 0.00 0.00 179.25 180.90 3ir2 h GLU 330 N 0.87 0.52 0.00 0.00 -0.00 -1.14 -0.01 114.58 114.82 3ir2 h GLU 330 Ca 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.56 3ir2 h GLU 330 Cb 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 3ir2 h GLU 330 CO -0.04 0.34 0.00 0.00 -0.00 0.00 0.00 179.01 179.31 3ir2 n ALA 331 N -2.48 2.47 0.00 1.06 0.00 -0.94 -4.89 120.51 115.74 3ir2 n ALA 331 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ir2 n ALA 331 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3ir2 n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir2 n GLY 332 N 0.74 0.62 3.77 0.00 0.00 -0.02 -4.69 105.19 105.60 3ir2 n GLY 332 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3ir2 n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir2 s ALA 333 N -2.00 3.41 -0.48 4.61 0.00 -1.00 -4.67 121.76 121.63 3ir2 s ALA 333 Ca 0.00 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.88 3ir2 s ALA 333 Cb 0.00 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.77 3ir2 s ALA 333 CO 0.00 -0.46 0.48 0.15 0.00 0.00 0.00 175.76 175.93 3ir2 s LYS 334 N -1.76 3.04 -0.19 0.00 1.02 -0.32 -4.34 119.74 117.20 3ir2 s LYS 334 Ca 0.49 -1.11 -0.09 0.00 0.02 0.00 0.00 55.97 55.28 3ir2 s LYS 334 Cb -0.36 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 32.81 3ir2 s LYS 334 CO 0.47 -1.07 0.12 0.42 -0.92 0.00 0.00 175.35 174.37 3ir2 s ILE 335 N 2.05 5.31 0.20 2.17 1.01 -1.26 -1.09 121.20 129.59 3ir2 s ILE 335 Ca 0.09 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 3ir2 s ILE 335 Cb -0.21 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3ir2 s ILE 335 CO 0.09 0.46 0.30 -0.94 0.00 0.00 0.00 174.94 174.86 3ir2 s SER 336 N 0.20 0.04 -0.13 3.58 1.04 0.04 -4.98 113.70 113.49 3ir2 s SER 336 Ca 0.08 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.38 3ir2 s SER 336 Cb -0.11 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3ir2 s SER 336 CO -0.01 -0.95 0.26 -0.63 0.98 0.00 0.00 173.24 172.89 3ir2 s ILE 337 N -4.03 5.31 0.21 -1.02 -1.09 -1.26 -1.53 121.20 117.79 3ir2 s ILE 337 Ca 0.24 0.48 -0.31 0.00 -2.23 0.00 0.00 60.65 58.83 3ir2 s ILE 337 Cb 0.03 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 3ir2 s ILE 337 CO 0.05 0.48 1.56 -0.04 -1.23 0.00 0.00 174.94 175.76 3ir2 s MET 338 N -0.15 4.20 0.52 2.79 -1.94 -0.50 -4.81 119.30 119.40 3ir2 s MET 338 Ca 0.16 2.40 0.05 0.00 -1.71 0.00 0.00 55.69 56.60 3ir2 s MET 338 Cb -0.13 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.61 3ir2 s MET 338 CO 0.05 -0.58 0.32 0.95 -0.01 0.00 0.00 175.02 175.75 3ir2 s THR 339 N 0.68 1.71 0.20 2.05 -4.23 -1.26 -4.79 115.64 110.00 3ir2 s THR 339 Ca 0.67 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.54 3ir2 s THR 339 Cb -0.44 -2.29 0.33 0.00 1.34 0.00 0.00 72.50 71.44 3ir2 s THR 339 CO 0.37 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.58 3ir2 n TYR 340 N -1.62 0.27 -0.31 3.99 9.36 -1.26 -0.80 117.16 126.79 3ir2 n TYR 340 Ca -0.04 0.89 -0.02 0.00 3.32 0.00 0.00 57.90 62.04 3ir2 n TYR 340 Cb 0.65 -0.93 0.10 0.00 -0.63 0.00 0.00 39.34 38.52 3ir2 n TYR 340 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 3ir2 h SER 341 N 0.00 0.93 0.05 2.98 0.02 -1.99 -0.35 113.55 115.19 3ir2 h SER 341 Ca 0.35 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.03 3ir2 h SER 341 Cb 0.55 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.89 3ir2 h SER 341 CO -0.75 0.66 -1.03 -0.33 -1.14 0.00 0.00 176.83 174.24 3ir2 h GLU 342 N 1.10 0.67 -0.19 3.45 3.07 -1.34 -2.35 114.58 118.98 3ir2 h GLU 342 Ca 0.33 -0.71 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 3ir2 h GLU 342 Cb -0.05 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3ir2 h GLU 342 CO -0.10 1.30 0.10 0.74 -1.40 0.00 0.00 179.01 179.65 3ir2 h PHE 343 N 0.38 0.26 -0.74 4.33 -1.00 -0.97 -0.94 116.94 118.26 3ir2 h PHE 343 Ca -0.12 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.66 3ir2 h PHE 343 Cb 1.68 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 41.12 3ir2 h PHE 343 CO 0.10 0.25 0.48 -0.22 -1.61 0.00 0.00 178.31 177.31 3ir2 h LYS 344 N 0.20 0.97 -0.28 1.51 3.64 -1.12 -0.49 116.57 121.01 3ir2 h LYS 344 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ir2 h LYS 344 Cb 0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3ir2 h LYS 344 CO -0.01 0.65 0.18 1.25 -2.27 0.00 0.00 179.45 179.25 3ir2 h HIS 345 N 1.00 0.35 -0.87 1.91 2.76 -1.24 0.84 115.15 119.91 3ir2 h HIS 345 Ca 0.27 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 3ir2 h HIS 345 Cb -0.10 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 3ir2 h HIS 345 CO -0.02 0.24 0.58 0.00 -1.30 0.00 0.00 177.93 177.42 3ir2 h TRP 347 N 1.17 0.07 -0.27 0.00 2.91 -0.58 0.21 115.95 119.46 3ir2 h TRP 347 Ca 0.32 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.29 3ir2 h TRP 347 Cb -0.13 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 3ir2 h TRP 347 CO -0.01 0.10 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.00 3ir2 h ASP 348 N 0.02 0.40 0.01 2.65 3.32 -0.51 -2.84 116.42 119.47 3ir2 h ASP 348 Ca 0.02 -0.08 -0.38 0.00 0.02 0.00 0.00 57.03 56.60 3ir2 h ASP 348 Cb 0.05 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3ir2 h ASP 348 CO -0.00 0.52 -2.44 0.41 -1.72 0.00 0.00 179.24 176.01 3ir2 n THR 349 N -4.26 1.48 0.30 0.35 -1.04 -0.20 -4.64 114.28 106.26 3ir2 n THR 349 Ca 0.01 -0.64 0.05 0.00 -2.04 0.00 0.00 64.05 61.42 3ir2 n THR 349 Cb 0.27 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.52 3ir2 n THR 349 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3ir2 n PHE 350 N -3.14 0.00 -4.04 -1.42 3.01 0.71 -5.02 117.46 107.55 3ir2 n PHE 350 Ca -0.42 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.69 3ir2 n PHE 350 Cb 1.03 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 40.37 3ir2 n PHE 350 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3ir2 s VAL 351 N -2.14 5.05 -1.28 -4.37 1.01 -1.07 -0.92 120.40 116.69 3ir2 s VAL 351 Ca 0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3ir2 s VAL 351 Cb 0.07 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.24 3ir2 s VAL 351 CO 0.39 0.50 1.83 -0.67 0.00 0.00 0.00 175.10 177.15 3ir2 n ASP 352 N 1.63 4.43 0.02 3.32 4.64 0.11 -4.75 116.55 125.94 3ir2 n ASP 352 Ca -0.16 -2.86 0.12 0.00 -1.38 0.00 0.00 54.79 50.50 3ir2 n ASP 352 Cb 0.54 -1.72 0.18 0.00 -1.04 0.00 0.00 41.12 39.08 3ir2 n ASP 352 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ir2 n HIS 353 N 9.32 0.19 -4.00 -0.67 1.44 -1.26 -4.56 115.22 115.68 3ir2 n HIS 353 Ca 0.48 0.06 -0.29 0.00 -2.01 0.00 0.00 57.72 55.96 3ir2 n HIS 353 Cb 0.45 -0.38 -0.01 0.00 0.12 0.00 0.00 29.99 30.17 3ir2 n HIS 353 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3ir2 n GLN 354 N -1.74 -3.75 -0.18 -1.40 6.02 -1.26 -1.10 117.38 113.98 3ir2 n GLN 354 Ca 0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3ir2 n GLN 354 Cb 0.38 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.74 3ir2 n GLN 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir2 n GLY 355 N -1.74 2.14 3.75 1.08 0.00 -1.26 -5.00 105.19 104.16 3ir2 n GLY 355 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3ir2 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir2 s ALA 356 N -2.80 3.49 0.70 4.61 0.00 -0.25 -5.01 121.76 122.50 3ir2 s ALA 356 Ca 0.00 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 3ir2 s ALA 356 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3ir2 s ALA 356 CO 0.00 -0.48 1.08 -1.25 0.00 0.00 0.00 175.76 175.10 3ir2 s PRO 357 N -0.89 2.75 0.13 0.00 0.04 -1.26 -4.89 135.00 130.88 3ir2 s PRO 357 Ca 0.52 1.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 3ir2 s PRO 357 Cb -0.36 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3ir2 s PRO 357 CO 0.43 -1.25 1.51 0.12 0.04 0.00 0.00 177.00 177.85 3ir2 s PHE 358 N -2.83 3.02 -0.33 0.56 5.36 -1.26 -5.00 117.98 117.49 3ir2 s PHE 358 Ca 0.61 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 57.25 3ir2 s PHE 358 Cb -0.16 -3.84 0.06 0.00 -0.34 0.00 0.00 43.02 38.75 3ir2 s PHE 358 CO 0.51 -3.09 0.07 1.14 -1.46 0.00 0.00 175.22 172.39 3ir2 s GLN 359 N 1.41 2.33 0.26 10.12 -2.07 -1.26 -5.09 119.66 125.36 3ir2 s GLN 359 Ca 0.68 -1.40 -0.31 0.00 -1.82 0.00 0.00 55.36 52.51 3ir2 s GLN 359 Cb -0.40 -3.32 -0.12 0.00 -1.09 0.00 0.00 33.01 28.08 3ir2 s GLN 359 CO 0.31 -0.75 1.65 -2.30 -1.32 0.00 0.00 175.29 172.89 3ir2 n PRO 360 N 4.64 2.74 -1.23 9.60 -0.02 -1.26 -4.99 135.00 144.48 3ir2 n PRO 360 Ca -0.10 0.98 -0.30 0.00 -2.02 0.00 0.00 63.50 62.06 3ir2 n PRO 360 Cb 0.43 -2.79 0.13 0.00 -0.02 0.00 0.00 33.50 31.25 3ir2 n PRO 360 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3ir2 s TRP 361 N 0.50 2.35 0.26 6.00 -2.14 -1.26 -4.96 118.94 119.69 3ir2 s TRP 361 Ca 0.69 1.25 -0.31 0.00 2.66 0.00 0.00 56.10 60.39 3ir2 s TRP 361 Cb -0.50 -3.16 -0.13 0.00 -3.10 0.00 0.00 33.47 26.59 3ir2 s TRP 361 CO 0.42 -2.35 1.49 -0.25 -2.66 0.00 0.00 176.95 173.60 3ir2 n ASP 362 N -3.85 3.22 0.00 -2.66 8.00 -1.26 -2.77 116.55 117.23 3ir2 n ASP 362 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3ir2 n ASP 362 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3ir2 n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir2 n GLY 363 N 2.22 0.47 0.20 0.44 0.00 -1.26 -4.89 105.19 102.37 3ir2 n GLY 363 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3ir2 n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ir2 h LEU 364 N 0.00 -0.40 -0.38 0.99 6.46 -1.90 -0.95 115.31 119.13 3ir2 h LEU 364 Ca 0.00 0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 3ir2 h LEU 364 Cb 0.19 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 3ir2 h LEU 364 CO 0.00 -0.14 -0.06 0.44 -0.62 0.00 0.00 178.44 178.06 3ir2 h ASP 365 N 0.03 0.71 -0.05 1.25 3.32 -1.91 -2.07 116.42 117.69 3ir2 h ASP 365 Ca 0.24 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.99 3ir2 h ASP 365 Cb 0.37 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3ir2 h ASP 365 CO -0.49 0.88 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.30 3ir2 h GLU 366 N 0.52 -0.39 -0.70 3.56 5.08 -1.79 -1.23 114.58 119.64 3ir2 h GLU 366 Ca 0.10 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3ir2 h GLU 366 Cb 0.56 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3ir2 h GLU 366 CO 0.03 -0.26 0.22 0.45 -1.00 0.00 0.00 179.01 178.45 3ir2 h HIS 367 N -0.40 1.13 -0.75 4.33 3.86 -1.17 -0.88 115.15 121.27 3ir2 h HIS 367 Ca 0.08 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3ir2 h HIS 367 Cb 0.51 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3ir2 h HIS 367 CO -0.34 0.90 0.32 1.03 0.86 0.00 0.00 177.93 180.70 3ir2 h SER 368 N 1.03 1.02 -0.29 2.45 0.87 -1.19 0.42 113.55 117.86 3ir2 h SER 368 Ca 0.23 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3ir2 h SER 368 Cb 0.30 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3ir2 h SER 368 CO -0.01 0.90 -0.02 1.56 -0.53 0.00 0.00 176.83 178.73 3ir2 h GLN 369 N 1.07 0.53 -0.54 2.24 4.20 -0.83 -1.19 115.11 120.60 3ir2 h GLN 369 Ca 0.25 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3ir2 h GLN 369 Cb 0.18 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3ir2 h GLN 369 CO -0.02 0.70 0.34 0.22 -0.67 0.00 0.00 178.83 179.39 3ir2 h ASP 370 N 0.31 0.56 -0.61 1.46 3.58 -0.85 -2.27 116.42 118.61 3ir2 h ASP 370 Ca 0.08 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 3ir2 h ASP 370 Cb 0.47 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3ir2 h ASP 370 CO 0.02 0.40 0.11 -0.07 -2.88 0.00 0.00 179.24 176.82 3ir2 h LEU 371 N 0.68 0.98 -0.53 2.28 3.38 -0.84 -1.04 115.31 120.23 3ir2 h LEU 371 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ir2 h LEU 371 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3ir2 h LEU 371 CO -0.07 0.98 0.33 0.28 0.09 0.00 0.00 178.44 180.04 3ir2 h SER 372 N 0.97 0.63 -0.48 -0.43 0.02 -1.00 0.15 113.55 113.40 3ir2 h SER 372 Ca 0.20 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3ir2 h SER 372 Cb 0.41 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3ir2 h SER 372 CO 0.01 0.49 0.30 1.23 -1.14 0.00 0.00 176.83 177.72 3ir2 h GLY 373 N 0.71 0.68 1.04 -3.77 0.00 -1.19 -1.11 103.07 99.43 3ir2 h GLY 373 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3ir2 h GLY 373 CO -0.04 0.21 0.38 0.07 0.00 0.00 0.00 176.54 177.17 3ir2 h ARG 374 N 0.61 1.19 -0.55 4.80 0.11 -0.50 -2.05 114.38 118.00 3ir2 h ARG 374 Ca 0.19 -0.18 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 3ir2 h ARG 374 Cb -0.03 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 30.83 3ir2 h ARG 374 CO -0.06 0.93 -0.11 1.25 0.10 0.00 0.00 179.97 182.07 3ir2 h LEU 375 N 1.17 1.05 -0.65 0.08 5.85 -0.52 -0.88 115.31 121.42 3ir2 h LEU 375 Ca 0.28 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ir2 h LEU 375 Cb 0.14 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3ir2 h LEU 375 CO -0.03 1.16 0.40 0.03 -0.34 0.00 0.00 178.44 179.66 3ir2 h ARG 376 N 0.92 0.76 -0.69 1.25 3.08 -0.85 -0.04 114.38 118.82 3ir2 h ARG 376 Ca 0.14 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3ir2 h ARG 376 Cb 0.69 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3ir2 h ARG 376 CO 0.05 0.50 0.13 0.00 -1.07 0.00 0.00 179.97 179.59 3ir2 h ALA 377 N 1.28 0.93 -0.35 0.04 0.00 -1.00 -0.94 119.26 119.22 3ir2 h ALA 377 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ir2 h ALA 377 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ir2 h ALA 377 CO -0.11 0.67 0.17 0.82 0.00 0.00 0.00 179.25 180.80 3ir2 h ILE 378 N 1.05 1.16 0.00 0.00 2.04 -0.60 -2.45 117.51 118.71 3ir2 h ILE 378 Ca 0.21 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ir2 h ILE 378 Cb 0.42 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3ir2 h ILE 378 CO 0.01 0.17 -0.06 -0.07 0.00 0.00 0.00 178.15 178.20 3ir2 h LEU 379 N 0.43 0.00 -1.93 1.44 4.07 -0.84 -2.66 115.31 115.81 3ir2 h LEU 379 Ca 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3ir2 h LEU 379 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3ir2 h LEU 379 CO -0.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.35 3ir2 n GLN 380 N -2.65 2.30 0.00 1.13 3.00 -0.37 -5.02 117.38 115.76 3ir2 n GLN 380 Ca 0.05 -1.92 0.11 0.00 -0.01 0.00 0.00 57.00 55.23 3ir2 n GLN 380 Cb 0.48 -1.48 0.10 0.00 0.00 0.00 0.00 30.24 29.34 3ir2 n GLN 380 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33