#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqs s ASP 198 N 0.00 6.78 0.23 6.12 -4.77 -1.26 -1.19 116.67 122.58 3iqs s ASP 198 Ca 0.00 2.30 -0.08 0.00 -3.30 0.00 0.00 52.55 51.47 3iqs s ASP 198 Cb 0.00 -2.61 0.39 0.00 -1.09 0.00 0.00 42.92 39.61 3iqs s ASP 198 CO 0.00 -0.49 1.66 -0.65 0.70 0.00 0.00 175.17 176.39 3iqs h PRO 199 N 2.98 0.16 -0.73 2.11 0.11 -1.96 -2.29 132.00 132.38 3iqs h PRO 199 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3iqs h PRO 199 Cb 1.22 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3iqs h PRO 199 CO 0.64 0.11 0.43 -1.35 -0.21 0.00 0.00 178.00 177.61 3iqs h PRO 200 N 0.17 0.76 -0.14 1.05 0.11 -1.99 -0.70 132.00 131.27 3iqs h PRO 200 Ca 0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 3iqs h PRO 200 Cb 0.64 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3iqs h PRO 200 CO -0.55 0.50 0.08 1.15 -0.21 0.00 0.00 178.00 178.96 3iqs h THR 201 N 0.78 1.08 0.58 -1.15 2.02 -1.82 0.15 112.91 114.56 3iqs h THR 201 Ca 0.33 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3iqs h THR 201 Cb 0.18 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3iqs h THR 201 CO -0.18 0.08 -0.50 0.15 0.37 0.00 0.00 175.52 175.43 3iqs h PHE 202 N 0.13 -1.39 -0.85 3.16 3.57 -1.19 0.11 116.94 120.48 3iqs h PHE 202 Ca 0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3iqs h PHE 202 Cb 0.06 0.53 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 3iqs h PHE 202 CO -0.05 -0.69 0.52 1.15 -2.23 0.00 0.00 178.31 177.01 3iqs h THR 203 N -1.06 1.00 -0.48 4.41 2.02 -1.09 0.30 112.91 118.01 3iqs h THR 203 Ca -0.07 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 3iqs h THR 203 Cb 0.90 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3iqs h THR 203 CO -0.02 0.17 -0.12 0.15 0.37 0.00 0.00 175.52 176.07 3iqs h PHE 204 N 0.92 1.04 0.08 3.16 3.57 -0.55 -2.91 116.94 122.25 3iqs h PHE 204 Ca 0.39 -0.23 -0.27 0.00 3.53 0.00 0.00 57.97 61.39 3iqs h PHE 204 Cb 0.24 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3iqs h PHE 204 CO -0.04 1.01 -1.35 -0.91 -2.23 0.00 0.00 178.31 174.79 3iqs h ASN 205 N 0.78 0.26 -0.03 0.41 4.21 0.01 -3.36 115.58 117.86 3iqs h ASN 205 Ca 0.12 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3iqs h ASN 205 Cb 0.68 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3iqs h ASN 205 CO 0.05 1.27 -0.01 0.49 -1.29 0.00 0.00 177.43 177.94 3iqs n PHE 206 N -3.40 0.00 -1.70 1.19 3.01 0.98 -4.77 117.46 112.77 3iqs n PHE 206 Ca -0.10 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.92 3iqs n PHE 206 Cb 1.01 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.45 3iqs n PHE 206 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3iqs n ASN 207 N 1.13 3.61 -1.89 4.37 2.85 -1.10 -4.89 115.26 119.35 3iqs n ASN 207 Ca 0.15 1.07 -0.05 0.00 -0.11 0.00 0.00 54.58 55.64 3iqs n ASN 207 Cb 0.56 -1.51 0.28 0.00 1.24 0.00 0.00 39.78 40.35 3iqs n ASN 207 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3iqs n ASN 208 N 3.72 4.60 -4.60 1.20 0.23 -1.26 -4.90 115.26 114.25 3iqs n ASN 208 Ca 0.16 -3.07 -0.43 0.00 -0.53 0.00 0.00 54.58 50.71 3iqs n ASN 208 Cb 0.32 -0.72 -0.02 0.00 -2.08 0.00 0.00 39.78 37.28 3iqs n ASN 208 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3iqs s GLU 209 N -2.72 3.67 0.18 -3.83 2.02 -1.26 -4.79 118.70 111.97 3iqs s GLU 209 Ca 0.49 0.86 0.05 0.00 0.02 0.00 0.00 54.97 56.39 3iqs s GLU 209 Cb 0.39 -3.97 0.52 0.00 0.10 0.00 0.00 34.13 31.18 3iqs s GLU 209 CO 0.12 -1.45 0.83 -2.30 0.02 0.00 0.00 175.26 172.49 3iqs n PRO 210 N 7.89 -0.04 -0.83 0.39 -0.02 -1.26 -4.70 135.00 136.44 3iqs n PRO 210 Ca 0.15 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 3iqs n PRO 210 Cb 0.48 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 3iqs n PRO 210 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3iqs n TRP 211 N -4.47 0.68 -2.68 6.00 5.03 -1.26 -4.86 117.44 115.88 3iqs n TRP 211 Ca 0.15 0.56 -0.43 0.00 3.03 0.00 0.00 57.50 60.82 3iqs n TRP 211 Cb 0.51 -1.09 0.01 0.00 -1.03 0.00 0.00 31.31 29.71 3iqs n TRP 211 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 3iqs n VAL 212 N 1.55 4.95 -3.71 -0.99 0.31 -1.26 -4.91 118.33 114.26 3iqs n VAL 212 Ca 0.14 -5.25 -0.29 0.00 -0.01 0.00 0.00 64.34 58.92 3iqs n VAL 212 Cb -0.00 -2.18 -0.13 0.00 -0.91 0.00 0.00 33.84 30.62 3iqs n VAL 212 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3iqs s ARG 213 N -1.46 1.30 0.00 5.55 3.00 -1.26 -4.80 118.95 121.28 3iqs s ARG 213 Ca 0.35 -2.02 0.00 0.00 -1.00 0.00 0.00 55.73 53.07 3iqs s ARG 213 Cb 0.08 -2.35 0.00 0.00 0.00 0.00 0.00 34.95 32.68 3iqs s ARG 213 CO 0.05 -1.16 0.00 0.41 0.00 0.00 0.00 175.30 174.60 3iqs n GLY 214 N 3.54 2.22 3.52 8.12 0.00 -1.26 -5.00 105.19 116.32 3iqs n GLY 214 Ca 0.09 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3iqs n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iqs n ARG 215 N 0.00 3.01 0.00 1.61 3.00 -1.26 -4.64 116.66 118.38 3iqs n ARG 215 Ca 0.00 -3.15 0.12 0.00 -0.01 0.00 0.00 57.85 54.81 3iqs n ARG 215 Cb 0.00 -3.50 0.18 0.00 0.00 0.00 0.00 32.46 29.13 3iqs n ARG 215 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3iqs n HIS 216 N 8.83 0.00 -3.39 -1.55 8.25 -1.26 -4.92 115.22 121.19 3iqs n HIS 216 Ca 0.49 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.75 3iqs n HIS 216 Cb 0.46 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 3iqs n HIS 216 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3iqs s GLU 217 N -2.59 2.61 -0.17 -0.41 2.02 -1.26 -5.08 118.70 113.81 3iqs s GLU 217 Ca 0.19 -1.46 -0.02 0.00 0.02 0.00 0.00 54.97 53.70 3iqs s GLU 217 Cb 0.18 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.97 3iqs s GLU 217 CO 0.59 -0.25 0.00 0.99 0.02 0.00 0.00 175.26 176.62 3iqs s THR 218 N -2.45 0.73 0.08 3.63 2.01 -1.26 -4.81 115.64 113.57 3iqs s THR 218 Ca 0.50 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 3iqs s THR 218 Cb -0.05 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 3iqs s THR 218 CO 0.30 -0.06 0.42 -0.31 -0.69 0.00 0.00 174.62 174.27 3iqs s TYR 219 N 1.78 3.60 -0.06 4.92 1.51 -1.26 -2.76 117.35 125.07 3iqs s TYR 219 Ca -0.00 0.84 -0.02 0.00 -1.01 0.00 0.00 57.07 56.87 3iqs s TYR 219 Cb -0.16 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3iqs s TYR 219 CO -0.07 0.52 0.05 -1.17 -1.11 0.00 0.00 175.55 173.77 3iqs s LEU 220 N -1.84 0.26 -0.09 -1.29 0.20 0.66 -0.96 118.68 115.62 3iqs s LEU 220 Ca 0.33 -0.05 -0.03 0.00 0.69 0.00 0.00 54.13 55.06 3iqs s LEU 220 Cb -0.14 -0.21 -0.04 0.00 -0.43 0.00 0.00 46.19 45.37 3iqs s LEU 220 CO 0.18 -0.25 0.05 0.00 -0.29 0.00 0.00 176.35 176.04 3iqs s TYR 222 N -0.96 0.89 -0.00 0.00 -0.85 0.27 -0.02 117.35 116.68 3iqs s TYR 222 Ca 0.15 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 3iqs s TYR 222 Cb -0.12 -0.52 -0.01 0.00 0.38 0.00 0.00 41.96 41.70 3iqs s TYR 222 CO 0.04 -0.02 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.75 3iqs s GLU 223 N -1.51 0.69 -0.10 -3.49 2.02 -0.61 -2.08 118.70 113.61 3iqs s GLU 223 Ca -0.06 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.64 3iqs s GLU 223 Cb -0.09 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.47 3iqs s GLU 223 CO 0.01 0.18 -0.24 0.08 0.02 0.00 0.00 175.26 175.31 3iqs s VAL 224 N -0.26 2.05 -0.06 2.63 1.01 -0.11 -1.60 120.40 124.06 3iqs s VAL 224 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3iqs s VAL 224 Cb -0.04 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3iqs s VAL 224 CO -0.00 0.56 -0.04 -1.61 0.00 0.00 0.00 175.10 174.00 3iqs s GLU 225 N 0.37 0.92 0.32 2.72 2.02 -0.07 -0.85 118.70 124.14 3iqs s GLU 225 Ca -0.18 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.44 3iqs s GLU 225 Cb -0.18 -1.00 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 3iqs s GLU 225 CO 0.08 -0.15 1.14 0.50 0.02 0.00 0.00 175.26 176.85 3iqs s ARG 226 N 1.25 4.46 0.22 1.61 3.52 -0.08 0.12 118.95 130.06 3iqs s ARG 226 Ca -0.05 1.85 -0.03 0.00 -0.13 0.00 0.00 55.73 57.37 3iqs s ARG 226 Cb -0.14 -3.03 0.22 0.00 -1.56 0.00 0.00 34.95 30.44 3iqs s ARG 226 CO -0.02 0.03 1.64 1.98 -0.81 0.00 0.00 175.30 178.12 3iqs h MET 227 N 3.44 0.71 -3.66 5.12 1.85 -0.48 -0.86 114.93 121.04 3iqs h MET 227 Ca -0.48 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.32 3iqs h MET 227 Cb 1.22 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.22 3iqs h MET 227 CO 0.66 0.89 -0.61 1.58 -0.40 0.00 0.00 176.91 179.02 3iqs n HIS 228 N -4.10 -3.01 0.18 1.39 -0.00 -1.26 -4.50 115.22 103.92 3iqs n HIS 228 Ca -0.00 1.79 0.05 0.00 0.46 0.00 0.00 57.72 60.02 3iqs n HIS 228 Cb 0.44 -3.15 0.31 0.00 -0.12 0.00 0.00 29.99 27.47 3iqs n HIS 228 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3iqs h ASN 229 N 2.65 0.00 0.00 0.26 -0.26 -1.95 -3.37 115.58 112.91 3iqs h ASN 229 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3iqs h ASN 229 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3iqs h ASN 229 CO 0.00 0.38 -0.13 0.44 -1.06 0.00 0.00 177.43 177.06 3iqs h ASP 230 N 0.00 0.00 -3.00 5.81 5.19 -1.97 -3.50 116.42 118.95 3iqs h ASP 230 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3iqs h ASP 230 Cb 0.94 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.46 3iqs h ASP 230 CO 0.05 0.23 0.01 0.35 -3.12 0.00 0.00 179.24 176.76 3iqs n THR 231 N -3.01 0.00 1.28 0.35 -2.24 -1.26 -5.01 114.28 104.39 3iqs n THR 231 Ca -0.02 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 3iqs n THR 231 Cb 0.07 -1.53 0.35 0.00 -2.10 0.00 0.00 70.33 67.12 3iqs n THR 231 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3iqs n TRP 232 N -1.63 0.00 -3.10 4.78 7.02 -1.26 -4.86 117.44 118.39 3iqs n TRP 232 Ca 0.01 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.19 3iqs n TRP 232 Cb 0.03 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.84 3iqs n TRP 232 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3iqs s VAL 233 N -2.23 4.90 -0.00 -0.99 -7.23 -1.26 -5.07 120.40 108.52 3iqs s VAL 233 Ca 0.29 0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.82 3iqs s VAL 233 Cb 0.20 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 3iqs s VAL 233 CO 0.42 -0.41 0.08 -0.76 -0.31 0.00 0.00 175.10 174.12 3iqs s LEU 234 N -3.68 3.87 -0.15 1.32 1.43 -1.26 -4.16 118.68 116.05 3iqs s LEU 234 Ca 0.48 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3iqs s LEU 234 Cb -0.10 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3iqs s LEU 234 CO 0.30 0.27 -0.08 -0.22 0.23 0.00 0.00 176.35 176.85 3iqs s LEU 235 N -1.75 2.97 0.10 1.79 2.96 -0.33 -4.91 118.68 119.50 3iqs s LEU 235 Ca 0.23 -0.24 -0.32 0.00 -0.22 0.00 0.00 54.13 53.57 3iqs s LEU 235 Cb -0.12 -1.70 -0.12 0.00 0.50 0.00 0.00 46.19 44.76 3iqs s LEU 235 CO 0.14 0.16 1.79 0.59 -1.32 0.00 0.00 176.35 177.70 3iqs n ASN 236 N 3.61 3.74 -0.02 3.68 5.03 -1.26 -0.90 115.26 129.13 3iqs n ASN 236 Ca -0.18 1.01 -0.06 0.00 0.87 0.00 0.00 54.58 56.22 3iqs n ASN 236 Cb 0.52 -1.49 -0.02 0.00 -1.02 0.00 0.00 39.78 37.77 3iqs n ASN 236 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iqs n GLN 237 N 5.30 0.22 -3.79 3.52 1.13 -0.03 -4.87 117.38 118.85 3iqs n GLN 237 Ca 0.19 0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 55.30 3iqs n GLN 237 Cb 0.34 -0.87 -0.00 0.00 0.11 0.00 0.00 30.24 29.82 3iqs n GLN 237 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3iqs s ARG 238 N -2.30 1.24 0.19 -1.09 1.70 -1.18 -5.00 118.95 112.50 3iqs s ARG 238 Ca -0.13 -0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 54.18 3iqs s ARG 238 Cb 0.03 0.39 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 3iqs s ARG 238 CO 0.18 -0.57 0.64 -0.98 -1.08 0.00 0.00 175.30 173.48 3iqs s ARG 239 N -2.83 1.41 0.00 3.89 1.70 -1.26 -0.94 118.95 120.92 3iqs s ARG 239 Ca 0.16 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 3iqs s ARG 239 Cb -0.02 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 3iqs s ARG 239 CO 0.03 -0.63 0.00 0.41 -1.08 0.00 0.00 175.30 174.04 3iqs n GLY 240 N -0.40 -0.89 3.42 3.88 0.00 -0.88 -5.01 105.19 105.31 3iqs n GLY 240 Ca -0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3iqs n GLY 240 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iqs s PHE 241 N -2.00 0.66 0.17 1.61 -0.12 -1.26 -0.57 117.98 116.47 3iqs s PHE 241 Ca 0.00 -0.97 -0.24 0.00 -0.05 0.00 0.00 56.93 55.67 3iqs s PHE 241 Cb 0.00 -0.11 0.06 0.00 -0.63 0.00 0.00 43.02 42.34 3iqs s PHE 241 CO 0.00 -0.83 0.95 -0.48 -0.05 0.00 0.00 175.22 174.81 3iqs s LEU 242 N -3.06 -0.16 0.28 -1.99 0.05 0.22 -4.98 118.68 109.04 3iqs s LEU 242 Ca 0.28 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 54.02 3iqs s LEU 242 Cb 0.03 2.20 -0.04 0.00 -2.05 0.00 0.00 46.19 46.33 3iqs s LEU 242 CO 0.09 -0.96 0.16 0.00 -0.55 0.00 0.00 176.35 175.10 3iqs s ASN 244 N -3.32 2.68 -0.51 0.00 4.22 -1.11 -4.61 114.94 112.28 3iqs s ASN 244 Ca 0.37 1.95 -0.05 0.00 -2.14 0.00 0.00 52.86 52.99 3iqs s ASN 244 Cb 0.05 -2.47 0.13 0.00 1.28 0.00 0.00 41.25 40.24 3iqs s ASN 244 CO 0.17 -3.21 0.34 -1.10 -2.04 0.00 0.00 177.10 171.26 3iqs s GLN 245 N -4.66 2.36 0.37 3.55 -1.52 0.30 -4.89 119.66 115.18 3iqs s GLN 245 Ca 0.66 -2.07 -0.24 0.00 -1.95 0.00 0.00 55.36 51.77 3iqs s GLN 245 Cb -0.22 -3.75 -0.14 0.00 -0.22 0.00 0.00 33.01 28.68 3iqs s GLN 245 CO 0.59 -1.14 0.48 0.00 -0.25 0.00 0.00 175.29 174.97 3iqs n ALA 246 N 4.28 -1.94 -1.60 6.09 0.00 -1.26 -0.87 120.51 125.21 3iqs n ALA 246 Ca 0.00 0.22 -0.46 0.00 0.00 0.00 0.00 53.44 53.20 3iqs n ALA 246 Cb 0.40 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3iqs n ALA 246 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iqs n PRO 247 N 0.84 1.40 -3.68 0.00 -0.02 -1.26 -4.71 135.00 127.56 3iqs n PRO 247 Ca 0.12 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 3iqs n PRO 247 Cb 0.37 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 3iqs n PRO 247 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3iqs s HIS 248 N -0.60 -0.67 0.13 6.00 2.46 -0.83 -4.94 115.29 116.83 3iqs s HIS 248 Ca 0.65 1.53 0.26 0.00 0.47 0.00 0.00 55.06 57.97 3iqs s HIS 248 Cb -0.74 0.28 1.01 0.00 -0.13 0.00 0.00 32.58 33.00 3iqs s HIS 248 CO 0.56 -0.34 1.86 0.87 -2.47 0.00 0.00 174.74 175.22 3iqs h LYS 249 N 5.91 0.00 -0.39 2.88 1.57 -1.90 -2.50 116.57 122.15 3iqs h LYS 249 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3iqs h LYS 249 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3iqs h LYS 249 CO 0.19 0.18 0.00 0.72 -0.57 0.00 0.00 179.45 179.96 3iqs n HIS 250 N -3.34 0.50 -0.02 -1.35 8.25 -1.26 -4.92 115.22 113.08 3iqs n HIS 250 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3iqs n HIS 250 Cb 0.40 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3iqs n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iqs n GLY 251 N 1.49 5.68 3.58 -1.41 0.00 -0.95 -5.07 105.19 108.51 3iqs n GLY 251 Ca 0.19 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3iqs n GLY 251 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iqs s PHE 252 N 2.11 1.59 0.17 1.61 0.40 -1.25 -4.78 117.98 117.83 3iqs s PHE 252 Ca 0.00 0.81 -0.15 0.00 -0.60 0.00 0.00 56.93 56.99 3iqs s PHE 252 Cb 0.00 -4.02 0.10 0.00 0.51 0.00 0.00 43.02 39.62 3iqs s PHE 252 CO 0.00 -2.80 1.76 1.25 0.70 0.00 0.00 175.22 176.13 3iqs h LEU 253 N 15.54 0.21 -1.57 -0.37 5.85 -1.90 -1.67 115.31 131.40 3iqs h LEU 253 Ca -0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3iqs h LEU 253 Cb 1.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3iqs h LEU 253 CO 1.10 0.16 0.00 1.21 -0.34 0.00 0.00 178.44 180.57 3iqs n GLU 254 N -4.98 2.09 0.00 1.25 4.07 -1.26 -4.04 120.64 117.77 3iqs n GLU 254 Ca 0.03 -1.43 0.00 0.00 -0.06 0.00 0.00 57.16 55.70 3iqs n GLU 254 Cb 0.14 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.12 3iqs n GLU 254 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iqs n GLY 255 N 0.98 -2.60 2.74 8.31 0.00 -0.69 -4.86 105.19 109.07 3iqs n GLY 255 Ca 0.13 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 3iqs n GLY 255 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iqs s ARG 256 N -3.13 0.71 0.53 1.61 6.06 -0.04 -4.94 118.95 119.75 3iqs s ARG 256 Ca 0.00 -0.52 -0.20 0.00 -2.50 0.00 0.00 55.73 52.51 3iqs s ARG 256 Cb 0.00 -2.11 -0.07 0.00 0.06 0.00 0.00 34.95 32.83 3iqs s ARG 256 CO 0.00 -0.68 1.10 -1.01 -2.50 0.00 0.00 175.30 172.21 3iqs s HIS 257 N 1.81 2.79 0.37 5.12 3.76 -1.26 0.11 115.29 127.98 3iqs s HIS 257 Ca -0.00 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.56 3iqs s HIS 257 Cb -0.17 -3.20 0.85 0.00 1.11 0.00 0.00 32.58 31.16 3iqs s HIS 257 CO -0.10 -1.31 1.88 0.00 -0.85 0.00 0.00 174.74 174.37 3iqs h ALA 258 N 1.29 1.86 -0.47 -1.40 0.00 -1.84 0.24 119.26 118.94 3iqs h ALA 258 Ca -0.50 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3iqs h ALA 258 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3iqs h ALA 258 CO 0.58 -0.09 -0.15 0.93 0.00 0.00 0.00 179.25 180.51 3iqs h GLU 259 N 0.66 0.91 -0.31 0.00 3.07 -1.93 0.82 114.58 117.79 3iqs h GLU 259 Ca 0.43 -0.34 -0.17 0.00 -0.50 0.00 0.00 59.36 58.78 3iqs h GLU 259 Cb 0.71 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3iqs h GLU 259 CO -0.19 0.99 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.89 3iqs h LEU 260 N 0.80 0.90 -0.80 1.33 3.38 -1.39 -2.48 115.31 117.05 3iqs h LEU 260 Ca 0.12 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3iqs h LEU 260 Cb 0.69 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3iqs h LEU 260 CO 0.05 1.22 0.29 0.00 0.09 0.00 0.00 178.44 180.09 3iqs h PHE 262 N 1.15 -0.35 0.00 0.00 3.57 -0.75 -2.23 116.94 118.33 3iqs h PHE 262 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3iqs h PHE 262 Cb 0.24 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3iqs h PHE 262 CO 0.02 -0.20 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.80 3iqs h LEU 263 N -0.24 0.00 -1.50 0.59 3.38 -1.26 -1.92 115.31 114.35 3iqs h LEU 263 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3iqs h LEU 263 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iqs h LEU 263 CO -0.11 0.03 0.05 0.44 0.09 0.00 0.00 178.44 178.94 3iqs h ASP 264 N 0.00 0.33 0.74 -0.43 3.32 -0.64 -3.24 116.42 116.50 3iqs h ASP 264 Ca -0.00 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 3iqs h ASP 264 Cb 0.05 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3iqs h ASP 264 CO 0.00 0.36 -1.37 -0.37 -1.72 0.00 0.00 179.24 176.14 3iqs h VAL 265 N 0.37 0.55 -0.93 -1.35 -1.51 -1.01 -3.38 116.25 108.98 3iqs h VAL 265 Ca 0.09 -2.06 0.23 0.00 -1.23 0.00 0.00 66.70 63.73 3iqs h VAL 265 Cb 0.17 2.08 -0.13 0.00 -2.13 0.00 0.00 31.29 31.29 3iqs h VAL 265 CO -0.00 0.31 0.45 0.40 -1.23 0.00 0.00 177.57 177.51 3iqs h ILE 266 N 0.00 0.48 -0.85 7.19 2.04 -1.56 0.82 117.51 125.63 3iqs h ILE 266 Ca -0.16 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.67 3iqs h ILE 266 Cb 1.60 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3iqs h ILE 266 CO 0.05 0.08 0.55 -0.65 0.00 0.00 0.00 178.15 178.18 3iqs h PRO 267 N 0.44 0.70 0.00 2.37 0.11 -1.77 -0.08 132.00 133.78 3iqs h PRO 267 Ca 0.59 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3iqs h PRO 267 Cb 1.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3iqs h PRO 267 CO -0.52 0.47 0.00 1.19 -0.21 0.00 0.00 178.00 178.92 3iqs n PHE 268 N -4.53 0.00 0.04 0.65 3.01 0.28 -2.34 117.46 114.56 3iqs n PHE 268 Ca 0.15 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.54 3iqs n PHE 268 Cb 0.39 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.51 3iqs n PHE 268 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 3iqs h TRP 269 N 0.00 0.00 -6.05 1.38 6.55 -1.02 -3.48 115.95 113.33 3iqs h TRP 269 Ca 0.00 0.00 -0.40 0.00 0.95 0.00 0.00 58.89 59.44 3iqs h TRP 269 Cb 0.12 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 28.49 3iqs h TRP 269 CO 0.00 1.00 -0.86 1.63 -1.05 0.00 0.00 178.44 179.16 3iqs n LYS 270 N -3.26 -3.88 -2.29 0.49 5.02 -0.99 -4.94 118.16 108.31 3iqs n LYS 270 Ca -0.05 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 3iqs n LYS 270 Cb 0.97 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 30.92 3iqs n LYS 270 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqs s LEU 271 N -6.49 4.17 0.02 -0.35 1.43 -1.26 -4.89 118.68 111.30 3iqs s LEU 271 Ca 0.14 2.34 -0.34 0.00 -1.03 0.00 0.00 54.13 55.25 3iqs s LEU 271 Cb -0.04 -4.05 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 3iqs s LEU 271 CO 0.81 -0.71 1.77 0.47 0.23 0.00 0.00 176.35 178.93 3iqs n ASP 272 N 0.01 3.35 0.08 2.29 8.00 -1.26 -4.80 116.55 124.23 3iqs n ASP 272 Ca 0.05 1.01 0.08 0.00 0.71 0.00 0.00 54.79 56.64 3iqs n ASP 272 Cb 0.47 -1.40 0.38 0.00 -0.02 0.00 0.00 41.12 40.55 3iqs n ASP 272 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3iqs n LEU 273 N 5.42 0.36 -1.76 0.64 4.77 -1.26 -1.77 117.00 123.39 3iqs n LEU 273 Ca 0.20 0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 56.62 3iqs n LEU 273 Cb 0.30 -0.61 0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3iqs n LEU 273 CO 0.69 -0.58 0.38 -0.90 -1.33 0.00 0.00 177.39 175.65 3iqs n ASP 274 N -1.94 4.51 -4.35 -1.43 3.85 -1.26 -5.00 116.55 110.93 3iqs n ASP 274 Ca 0.01 -3.78 -0.18 0.00 -0.71 0.00 0.00 54.79 50.12 3iqs n ASP 274 Cb 0.12 -0.46 -0.10 0.00 -1.35 0.00 0.00 41.12 39.33 3iqs n ASP 274 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 3iqs s GLN 275 N -3.54 1.36 -0.09 0.11 2.00 -0.73 -5.14 119.66 113.63 3iqs s GLN 275 Ca 0.50 -1.65 -0.14 0.00 -2.00 0.00 0.00 55.36 52.07 3iqs s GLN 275 Cb 0.41 -0.93 -0.05 0.00 0.80 0.00 0.00 33.01 33.25 3iqs s GLN 275 CO 0.01 0.05 0.34 -0.51 -0.50 0.00 0.00 175.29 174.69 3iqs s ASP 276 N -3.33 6.60 0.05 6.67 1.01 -1.26 -4.74 116.67 121.66 3iqs s ASP 276 Ca 0.25 0.71 0.04 0.00 0.71 0.00 0.00 52.55 54.27 3iqs s ASP 276 Cb 0.03 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3iqs s ASP 276 CO 0.08 0.20 -0.13 -0.31 0.21 0.00 0.00 175.17 175.22 3iqs s TYR 277 N -0.24 1.12 -0.26 4.23 1.51 -0.12 0.26 117.35 123.85 3iqs s TYR 277 Ca 0.20 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.77 3iqs s TYR 277 Cb -0.14 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3iqs s TYR 277 CO 0.08 0.03 0.16 0.50 -1.11 0.00 0.00 175.55 175.21 3iqs s ARG 278 N -1.32 3.93 -0.18 -0.62 3.52 0.31 0.01 118.95 124.61 3iqs s ARG 278 Ca -0.01 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3iqs s ARG 278 Cb -0.08 -3.57 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3iqs s ARG 278 CO 0.01 -0.12 -0.11 0.08 -0.81 0.00 0.00 175.30 174.35 3iqs s VAL 279 N 1.56 2.97 -0.09 7.11 1.01 0.16 -0.89 120.40 132.23 3iqs s VAL 279 Ca 0.07 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3iqs s VAL 279 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3iqs s VAL 279 CO 0.08 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.60 3iqs s THR 280 N 1.03 2.64 -0.06 3.92 2.01 -0.62 -0.38 115.64 124.17 3iqs s THR 280 Ca -0.01 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.21 3iqs s THR 280 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 3iqs s THR 280 CO -0.02 0.56 -0.23 0.00 -0.69 0.00 0.00 174.62 174.24 3iqs s PHE 282 N -0.04 3.11 0.07 0.00 0.40 0.98 0.49 117.98 122.99 3iqs s PHE 282 Ca -0.06 -1.34 0.09 0.00 -0.60 0.00 0.00 56.93 55.03 3iqs s PHE 282 Cb -0.14 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 3iqs s PHE 282 CO 0.04 -0.67 -0.23 0.95 0.70 0.00 0.00 175.22 176.00 3iqs s THR 283 N 1.39 2.42 0.18 0.64 -4.23 -0.02 -0.27 115.64 115.76 3iqs s THR 283 Ca 0.01 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 3iqs s THR 283 Cb -0.17 -2.02 -0.13 0.00 1.34 0.00 0.00 72.50 71.52 3iqs s THR 283 CO -0.01 0.26 1.41 0.77 -0.54 0.00 0.00 174.62 176.51 3iqs h SER 284 N 4.38 0.22 -4.05 3.99 4.64 -1.35 0.23 113.55 121.61 3iqs h SER 284 Ca -0.48 -0.17 -0.57 0.00 -0.47 0.00 0.00 61.79 60.10 3iqs h SER 284 Cb 1.16 -0.07 -0.21 0.00 -0.31 0.00 0.00 62.40 62.97 3iqs h SER 284 CO 0.44 0.96 -0.82 0.26 -0.87 0.00 0.00 176.83 176.79 3iqs s TRP 285 N -3.27 1.85 0.66 4.77 0.52 -1.26 -2.70 118.94 119.50 3iqs s TRP 285 Ca -0.03 -0.42 -0.13 0.00 0.02 0.00 0.00 56.10 55.54 3iqs s TRP 285 Cb 0.10 -1.00 -0.01 0.00 -1.15 0.00 0.00 33.47 31.42 3iqs s TRP 285 CO 0.82 0.24 1.06 -1.54 0.02 0.00 0.00 176.95 177.55 3iqs s SER 286 N -2.04 5.46 0.44 2.95 1.04 -1.17 -4.84 113.70 115.55 3iqs s SER 286 Ca 0.09 1.74 -0.25 0.00 0.48 0.00 0.00 55.95 58.00 3iqs s SER 286 Cb -0.09 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 3iqs s SER 286 CO 0.05 -1.38 1.41 -2.16 0.98 0.00 0.00 173.24 172.13 3iqs s PRO 287 N -4.56 3.73 0.96 4.02 0.04 -1.26 -4.10 135.00 133.82 3iqs s PRO 287 Ca 0.61 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.91 3iqs s PRO 287 Cb -0.15 -2.67 0.17 0.00 0.04 0.00 0.00 34.50 31.88 3iqs s PRO 287 CO 0.46 -0.77 1.09 0.00 0.04 0.00 0.00 177.00 177.82 3iqs h PHE 289 N -1.77 0.23 -0.29 0.00 -5.15 -1.85 0.17 116.94 108.28 3iqs h PHE 289 Ca -0.52 0.05 -0.12 0.00 -0.20 0.00 0.00 57.97 57.17 3iqs h PHE 289 Cb 1.31 0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.49 3iqs h PHE 289 CO 0.36 -0.12 -0.29 1.03 -2.00 0.00 0.00 178.31 177.28 3iqs h SER 290 N 0.23 0.75 0.74 -0.68 0.87 -1.93 -2.68 113.55 110.85 3iqs h SER 290 Ca 0.42 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 3iqs h SER 290 Cb 0.74 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3iqs h SER 290 CO -0.54 1.07 -0.54 0.00 -0.53 0.00 0.00 176.83 176.28 3iqs h ALA 292 N 1.46 0.68 -0.44 0.00 0.00 -0.57 -0.85 119.26 119.53 3iqs h ALA 292 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3iqs h ALA 292 Cb 1.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3iqs h ALA 292 CO 0.07 0.40 -0.13 -0.56 0.00 0.00 0.00 179.25 179.03 3iqs h GLN 293 N 0.72 0.82 -0.42 0.00 3.07 -1.43 -0.25 115.11 117.62 3iqs h GLN 293 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 3iqs h GLN 293 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 3iqs h GLN 293 CO 0.01 0.91 0.19 1.49 0.09 0.00 0.00 178.83 181.52 3iqs h GLU 294 N 0.74 0.62 -0.43 0.06 4.57 -1.33 0.66 114.58 119.46 3iqs h GLU 294 Ca 0.12 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3iqs h GLU 294 Cb 0.64 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3iqs h GLU 294 CO 0.04 0.55 -0.24 0.52 -1.18 0.00 0.00 179.01 178.70 3iqs h MET 295 N 0.54 0.90 -0.71 1.92 2.86 -0.99 -2.20 114.93 117.25 3iqs h MET 295 Ca 0.14 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3iqs h MET 295 Cb 0.15 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3iqs h MET 295 CO -0.02 1.04 0.29 0.00 1.06 0.00 0.00 176.91 179.29 3iqs h ALA 296 N 0.94 1.18 0.21 6.32 0.00 -0.85 -1.87 119.26 125.19 3iqs h ALA 296 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3iqs h ALA 296 Cb 0.80 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3iqs h ALA 296 CO 0.07 0.60 -0.23 -0.22 0.00 0.00 0.00 179.25 179.47 3iqs h LYS 297 N 1.02 -0.46 -0.15 0.00 3.64 -0.74 -1.95 116.57 117.93 3iqs h LYS 297 Ca 0.24 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 3iqs h LYS 297 Cb 0.18 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3iqs h LYS 297 CO -0.02 -0.30 -0.30 0.35 -2.27 0.00 0.00 179.45 176.90 3iqs h PHE 298 N -0.47 -0.84 -0.05 1.91 3.57 -0.88 -1.16 116.94 119.01 3iqs h PHE 298 Ca 0.00 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3iqs h PHE 298 Cb 0.45 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3iqs h PHE 298 CO -0.17 -0.38 -0.37 -0.84 -2.23 0.00 0.00 178.31 174.32 3iqs h ILE 299 N -0.37 1.28 -0.35 1.41 3.07 -1.37 -2.28 117.51 118.90 3iqs h ILE 299 Ca 0.10 -1.35 -0.10 0.00 1.55 0.00 0.00 64.86 65.07 3iqs h ILE 299 Cb 0.53 1.65 -0.02 0.00 -0.27 0.00 0.00 36.82 38.72 3iqs h ILE 299 CO -0.35 0.39 -0.20 0.28 -1.05 0.00 0.00 178.15 177.22 3iqs h SER 300 N 0.09 0.66 0.15 2.16 0.02 -0.91 -2.68 113.55 113.05 3iqs h SER 300 Ca 0.01 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3iqs h SER 300 Cb 0.70 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3iqs h SER 300 CO 0.05 0.86 -0.24 0.29 -1.14 0.00 0.00 176.83 176.65 3iqs n LYS 301 N -4.13 1.08 -0.07 3.45 5.02 -0.48 -4.47 118.16 118.56 3iqs n LYS 301 Ca 0.00 -0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 55.47 3iqs n LYS 301 Cb 0.40 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3iqs n LYS 301 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iqs n ASN 302 N -0.36 2.16 0.00 4.39 4.13 -0.89 -4.98 115.26 119.71 3iqs n ASN 302 Ca 0.13 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.42 3iqs n ASN 302 Cb 0.38 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3iqs n ASN 302 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3iqs n LYS 303 N -3.23 0.00 -0.28 3.52 4.81 -1.01 -4.49 118.16 117.48 3iqs n LYS 303 Ca -0.27 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.19 3iqs n LYS 303 Cb 0.75 -0.80 0.14 0.00 0.02 0.00 0.00 35.03 35.14 3iqs n LYS 303 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3iqs n HIS 304 N 0.00 0.67 -3.80 5.64 8.25 -1.26 -4.73 115.22 119.99 3iqs n HIS 304 Ca 0.00 -0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 56.96 3iqs n HIS 304 Cb 0.00 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 30.74 3iqs n HIS 304 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iqs s VAL 305 N -1.63 0.62 -0.44 1.59 1.01 -1.26 -0.94 120.40 119.34 3iqs s VAL 305 Ca 0.19 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 3iqs s VAL 305 Cb 0.14 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3iqs s VAL 305 CO 0.07 0.11 0.68 -0.44 0.00 0.00 0.00 175.10 175.52 3iqs s SER 306 N 1.85 6.35 -0.24 3.32 0.01 0.10 -4.92 113.70 120.17 3iqs s SER 306 Ca 0.03 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 3iqs s SER 306 Cb -0.14 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 3iqs s SER 306 CO -0.07 -0.82 0.25 -0.22 0.41 0.00 0.00 173.24 172.79 3iqs s LEU 307 N 2.95 4.10 -0.19 2.44 2.96 -1.26 0.35 118.68 130.04 3iqs s LEU 307 Ca 0.24 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3iqs s LEU 307 Cb -0.14 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.33 3iqs s LEU 307 CO 0.20 -0.02 -0.19 0.00 -1.32 0.00 0.00 176.35 175.02 3iqs s ILE 309 N 1.27 3.68 -0.20 0.00 -1.09 0.23 -0.07 121.20 125.02 3iqs s ILE 309 Ca 0.04 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 3iqs s ILE 309 Cb -0.14 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 3iqs s ILE 309 CO -0.12 0.30 0.00 -0.36 -1.23 0.00 0.00 174.94 173.53 3iqs s PHE 310 N 1.50 3.05 0.10 3.97 0.40 0.18 -0.85 117.98 126.33 3iqs s PHE 310 Ca 0.05 -0.42 0.10 0.00 -0.60 0.00 0.00 56.93 56.06 3iqs s PHE 310 Cb -0.15 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3iqs s PHE 310 CO -0.00 -0.21 -0.26 -0.08 0.70 0.00 0.00 175.22 175.37 3iqs s THR 311 N 0.95 2.30 0.05 0.64 -1.32 -0.45 -0.84 115.64 116.97 3iqs s THR 311 Ca 0.01 -1.61 -0.03 0.00 -1.21 0.00 0.00 61.69 58.86 3iqs s THR 311 Cb -0.14 -1.98 -0.28 0.00 -1.51 0.00 0.00 72.50 68.59 3iqs s THR 311 CO 0.02 0.18 1.02 0.00 -2.21 0.00 0.00 174.62 173.63 3iqs h ALA 312 N 4.16 0.20 -2.66 11.08 0.00 -1.02 0.19 119.26 131.21 3iqs h ALA 312 Ca -0.49 -0.99 -0.14 0.00 0.00 0.00 0.00 54.91 53.28 3iqs h ALA 312 Cb 1.16 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 3iqs h ALA 312 CO 0.41 1.07 -0.39 1.03 0.00 0.00 0.00 179.25 181.37 3iqs s ARG 313 N -2.64 1.25 -0.06 0.00 0.52 -1.10 -4.73 118.95 112.20 3iqs s ARG 313 Ca -0.06 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 53.85 3iqs s ARG 313 Cb 0.07 0.36 -0.01 0.00 0.52 0.00 0.00 34.95 35.88 3iqs s ARG 313 CO 0.87 -0.46 -0.22 0.42 0.02 0.00 0.00 175.30 175.93 3iqs s ILE 314 N -4.05 2.30 -0.27 1.52 1.01 -1.26 -3.03 121.20 117.42 3iqs s ILE 314 Ca 0.26 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 3iqs s ILE 314 Cb 0.04 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3iqs s ILE 314 CO 0.06 0.57 0.45 -0.47 0.00 0.00 0.00 174.94 175.55 3iqs s TYR 315 N -0.24 3.25 -0.14 3.97 6.04 -1.26 -4.77 117.35 124.21 3iqs s TYR 315 Ca -0.01 0.52 -0.03 0.00 0.04 0.00 0.00 57.07 57.59 3iqs s TYR 315 Cb -0.13 -2.65 0.05 0.00 -1.04 0.00 0.00 41.96 38.18 3iqs s TYR 315 CO 0.03 -0.26 0.05 0.34 -1.54 0.00 0.00 175.55 174.16 3iqs s ASP 316 N 1.60 2.17 0.00 4.32 3.68 -1.26 -4.70 116.67 122.48 3iqs s ASP 316 Ca 0.18 -0.45 0.03 0.00 2.13 0.00 0.00 52.55 54.44 3iqs s ASP 316 Cb -0.16 -0.39 0.18 0.00 -1.45 0.00 0.00 42.92 41.11 3iqs s ASP 316 CO 0.10 -0.28 1.12 -0.90 0.13 0.00 0.00 175.17 175.33 3iqs n ASP 317 N 5.18 0.02 0.00 -0.34 5.75 -1.26 -4.86 116.55 121.04 3iqs n ASP 317 Ca -0.07 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3iqs n ASP 317 Cb 0.49 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3iqs n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iqs n GLN 318 N -0.53 0.00 0.00 0.11 6.02 -1.26 -4.83 117.38 116.89 3iqs n GLN 318 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3iqs n GLN 318 Cb 0.01 -3.21 0.00 0.00 1.02 0.00 0.00 30.24 28.07 3iqs n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqs n GLY 319 N -2.00 -0.03 0.39 1.08 0.00 -1.26 -4.93 105.19 98.44 3iqs n GLY 319 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3iqs n GLY 319 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iqs n ARG 320 N 0.00 1.00 -0.13 1.61 0.63 -1.26 -4.43 116.66 114.08 3iqs n ARG 320 Ca 0.00 -0.78 -0.07 0.00 -0.92 0.00 0.00 57.85 56.08 3iqs n ARG 320 Cb 0.00 -1.48 0.02 0.00 0.45 0.00 0.00 32.46 31.44 3iqs n ARG 320 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3iqs h GLN 322 N 0.46 0.66 -0.65 0.00 4.20 -1.90 -0.69 115.11 117.18 3iqs h GLN 322 Ca 0.17 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3iqs h GLN 322 Cb 0.04 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3iqs h GLN 322 CO -0.10 0.44 0.14 1.49 -0.67 0.00 0.00 178.83 180.13 3iqs h GLU 323 N 0.68 1.04 -0.44 1.46 4.81 -1.72 -2.34 114.58 118.06 3iqs h GLU 323 Ca 0.31 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3iqs h GLU 323 Cb 0.23 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3iqs h GLU 323 CO -0.20 0.93 0.29 0.78 -0.73 0.00 0.00 179.01 180.08 3iqs h GLY 324 N 1.05 0.62 1.01 1.92 0.00 0.03 -0.42 103.07 107.29 3iqs h GLY 324 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3iqs h GLY 324 CO 0.00 0.22 0.39 1.41 0.00 0.00 0.00 176.54 178.57 3iqs h LEU 325 N 0.59 0.93 -1.31 3.11 3.38 -1.05 -0.83 115.31 120.13 3iqs h LEU 325 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iqs h LEU 325 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3iqs h LEU 325 CO -0.04 0.77 0.21 0.03 0.09 0.00 0.00 178.44 179.49 3iqs h ARG 326 N 1.02 0.68 -0.45 1.13 3.08 -1.12 -2.00 114.38 116.71 3iqs h ARG 326 Ca 0.26 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 3iqs h ARG 326 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3iqs h ARG 326 CO -0.04 0.55 -0.11 1.15 -1.07 0.00 0.00 179.97 180.45 3iqs h THR 327 N 0.68 1.27 -0.49 2.04 2.02 -0.60 -0.32 112.91 117.50 3iqs h THR 327 Ca 0.17 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 3iqs h THR 327 Cb 0.11 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3iqs h THR 327 CO -0.02 0.42 0.11 0.25 0.37 0.00 0.00 175.52 176.66 3iqs h LEU 328 N 0.72 0.75 -0.73 2.58 6.46 -0.99 -0.58 115.31 123.51 3iqs h LEU 328 Ca 0.11 -0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.54 3iqs h LEU 328 Cb 0.66 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3iqs h LEU 328 CO 0.05 0.79 -0.05 0.00 -0.62 0.00 0.00 178.44 178.61 3iqs h ALA 329 N 0.99 0.93 -0.63 1.25 0.00 -1.33 -2.10 119.26 118.36 3iqs h ALA 329 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iqs h ALA 329 Cb 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3iqs h ALA 329 CO 0.00 0.63 0.37 1.49 0.00 0.00 0.00 179.25 181.74 3iqs h GLU 330 N 0.84 0.85 0.00 0.00 4.81 -0.79 -0.24 114.58 120.04 3iqs h GLU 330 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3iqs h GLU 330 Cb 0.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3iqs h GLU 330 CO 0.03 0.60 0.00 0.00 -0.73 0.00 0.00 179.01 178.92 3iqs n ALA 331 N -2.44 1.87 0.00 2.92 0.00 -0.25 -4.88 120.51 117.73 3iqs n ALA 331 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3iqs n ALA 331 Cb 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3iqs n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iqs n GLY 332 N 0.29 0.38 3.77 0.00 0.00 -0.10 -4.64 105.19 104.89 3iqs n GLY 332 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iqs n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqs s ALA 333 N -2.00 3.52 -0.29 4.61 0.00 -0.84 -4.81 121.76 121.95 3iqs s ALA 333 Ca 0.00 1.32 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 3iqs s ALA 333 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3iqs s ALA 333 CO 0.00 -0.72 0.82 0.21 0.00 0.00 0.00 175.76 176.07 3iqs s LYS 334 N -1.69 4.03 -0.20 0.00 2.20 -0.14 -4.24 119.74 119.69 3iqs s LYS 334 Ca 0.51 0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 56.80 3iqs s LYS 334 Cb -0.41 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.19 3iqs s LYS 334 CO 0.54 -0.66 -0.05 0.42 -0.36 0.00 0.00 175.35 175.24 3iqs s ILE 335 N 2.99 3.39 0.14 5.43 1.01 -1.26 0.74 121.20 133.63 3iqs s ILE 335 Ca 0.34 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 3iqs s ILE 335 Cb -0.14 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3iqs s ILE 335 CO 0.11 0.44 0.12 -0.55 0.00 0.00 0.00 174.94 175.06 3iqs s SER 336 N 1.20 0.24 -0.06 3.58 0.15 -0.03 -4.99 113.70 113.78 3iqs s SER 336 Ca 0.02 -1.11 -0.13 0.00 0.70 0.00 0.00 55.95 55.44 3iqs s SER 336 Cb -0.14 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 3iqs s SER 336 CO -0.01 -0.77 0.32 -0.63 1.20 0.00 0.00 173.24 173.35 3iqs s ILE 337 N -4.02 5.20 0.22 6.45 -1.09 -1.26 -1.34 121.20 125.36 3iqs s ILE 337 Ca 0.22 0.64 -0.30 0.00 -2.23 0.00 0.00 60.65 58.97 3iqs s ILE 337 Cb 0.06 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 37.22 3iqs s ILE 337 CO 0.01 0.54 1.43 -0.04 -1.23 0.00 0.00 174.94 175.65 3iqs s MET 338 N -0.70 4.29 0.16 2.79 -1.94 0.06 -4.81 119.30 119.14 3iqs s MET 338 Ca 0.20 2.24 0.00 0.00 -1.71 0.00 0.00 55.69 56.43 3iqs s MET 338 Cb -0.15 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.56 3iqs s MET 338 CO 0.09 -0.41 0.03 0.25 -0.01 0.00 0.00 175.02 174.97 3iqs n THR 339 N 2.70 0.00 -0.30 2.05 -2.24 -1.26 -4.79 114.28 110.45 3iqs n THR 339 Ca 0.08 -0.71 0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3iqs n THR 339 Cb 0.41 0.01 0.31 0.00 -2.10 0.00 0.00 70.33 68.95 3iqs n THR 339 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3iqs h TYR 340 N 0.94 0.51 -0.37 4.78 3.20 -1.96 -1.41 116.97 122.66 3iqs h TYR 340 Ca -0.12 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3iqs h TYR 340 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3iqs h TYR 340 CO 0.00 -0.14 0.19 0.77 -1.64 0.00 0.00 178.16 177.34 3iqs h SER 341 N 0.29 0.47 -0.38 -2.11 0.02 -1.99 -1.19 113.55 108.67 3iqs h SER 341 Ca 0.56 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 61.25 3iqs h SER 341 Cb 1.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3iqs h SER 341 CO -0.60 0.44 -0.38 -0.33 -1.14 0.00 0.00 176.83 174.82 3iqs h GLU 342 N 0.46 0.92 -0.30 3.45 3.07 -1.77 -1.49 114.58 118.93 3iqs h GLU 342 Ca 0.13 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3iqs h GLU 342 Cb 0.09 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3iqs h GLU 342 CO -0.02 1.14 0.18 0.74 -1.40 0.00 0.00 179.01 179.66 3iqs h PHE 343 N 0.74 0.41 -0.32 4.33 0.05 -1.20 -1.44 116.94 119.50 3iqs h PHE 343 Ca 0.06 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 3iqs h PHE 343 Cb 0.98 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.78 3iqs h PHE 343 CO 0.06 0.31 0.12 -0.22 -0.18 0.00 0.00 178.31 178.40 3iqs h LYS 344 N 0.39 0.49 -0.20 1.51 3.64 -1.22 -0.82 116.57 120.36 3iqs h LYS 344 Ca 0.11 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3iqs h LYS 344 Cb 0.02 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3iqs h LYS 344 CO -0.02 0.52 -0.26 1.25 -2.27 0.00 0.00 179.45 178.66 3iqs h HIS 345 N 0.37 -0.71 -0.77 1.91 2.76 -1.15 -0.46 115.15 117.11 3iqs h HIS 345 Ca 0.11 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3iqs h HIS 345 Cb 0.22 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 3iqs h HIS 345 CO 0.00 -0.34 0.51 0.00 -1.30 0.00 0.00 177.93 176.80 3iqs h TRP 347 N 1.03 0.05 0.00 0.00 2.91 -0.77 0.31 115.95 119.48 3iqs h TRP 347 Ca 0.29 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.28 3iqs h TRP 347 Cb -0.09 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 3iqs h TRP 347 CO -0.02 -0.00 -0.24 -0.44 -1.03 0.00 0.00 178.44 176.71 3iqs h ASP 348 N 0.13 0.00 0.00 2.65 3.32 -0.59 -2.91 116.42 119.02 3iqs h ASP 348 Ca 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.85 3iqs h ASP 348 Cb 0.15 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3iqs h ASP 348 CO -0.19 0.24 -2.25 0.41 -1.72 0.00 0.00 179.24 175.72 3iqs n THR 349 N -3.36 1.26 0.21 0.35 -1.04 -0.03 -4.73 114.28 106.94 3iqs n THR 349 Ca 0.00 -0.54 0.03 0.00 -2.04 0.00 0.00 64.05 61.50 3iqs n THR 349 Cb 0.46 -1.12 0.02 0.00 -1.82 0.00 0.00 70.33 67.87 3iqs n THR 349 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iqs n PHE 350 N -3.04 0.00 -4.75 -1.42 3.01 0.11 -5.02 117.46 106.35 3iqs n PHE 350 Ca -0.37 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.76 3iqs n PHE 350 Cb 0.95 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.30 3iqs n PHE 350 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3iqs s VAL 351 N -0.50 3.33 -1.41 -4.37 1.01 -1.10 -2.08 120.40 115.29 3iqs s VAL 351 Ca 0.06 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 3iqs s VAL 351 Cb 0.04 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3iqs s VAL 351 CO 0.07 0.57 2.35 -0.67 0.00 0.00 0.00 175.10 177.42 3iqs n ASP 352 N 2.17 4.79 0.13 3.32 4.64 -0.34 -4.69 116.55 126.58 3iqs n ASP 352 Ca -0.17 -2.75 0.12 0.00 -1.38 0.00 0.00 54.79 50.61 3iqs n ASP 352 Cb 0.52 -1.56 0.50 0.00 -1.04 0.00 0.00 41.12 39.54 3iqs n ASP 352 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3iqs n HIS 353 N 5.65 0.84 -2.38 -0.67 1.44 -1.26 -4.59 115.22 114.25 3iqs n HIS 353 Ca 0.57 0.33 -0.16 0.00 -2.01 0.00 0.00 57.72 56.45 3iqs n HIS 353 Cb 0.35 -1.03 -0.01 0.00 0.12 0.00 0.00 29.99 29.42 3iqs n HIS 353 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3iqs n GLN 354 N -2.27 -1.94 0.00 -1.40 6.02 -1.26 -1.25 117.38 115.29 3iqs n GLN 354 Ca 0.02 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 3iqs n GLN 354 Cb 0.24 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.07 3iqs n GLN 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqs n GLY 355 N -0.88 0.53 3.67 1.08 0.00 -1.26 -5.05 105.19 103.27 3iqs n GLY 355 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3iqs n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqs s PRO 357 N 3.34 0.78 0.13 0.00 0.02 -1.26 -4.85 135.00 133.16 3iqs s PRO 357 Ca 0.59 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 3iqs s PRO 357 Cb -0.25 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 3iqs s PRO 357 CO 0.19 -2.72 1.22 0.12 -0.33 0.00 0.00 177.00 175.47 3iqs s PHE 358 N -2.66 3.42 -0.30 6.54 5.36 -1.26 -5.01 117.98 124.07 3iqs s PHE 358 Ca 0.66 1.33 0.03 0.00 -0.96 0.00 0.00 56.93 57.99 3iqs s PHE 358 Cb -0.22 -3.45 0.08 0.00 -0.34 0.00 0.00 43.02 39.09 3iqs s PHE 358 CO 0.59 -1.34 -0.02 -0.65 -1.46 0.00 0.00 175.22 172.34 3iqs s GLN 359 N 0.39 1.72 0.22 10.12 -0.21 -1.26 -5.10 119.66 125.54 3iqs s GLN 359 Ca 0.56 -1.54 -0.31 0.00 0.02 0.00 0.00 55.36 54.10 3iqs s GLN 359 Cb -0.32 -2.95 -0.10 0.00 1.00 0.00 0.00 33.01 30.64 3iqs s GLN 359 CO 0.33 -0.77 1.52 -2.14 -2.12 0.00 0.00 175.29 172.11 3iqs s PRO 360 N 1.08 4.22 0.57 2.91 0.02 -1.26 -5.00 135.00 137.54 3iqs s PRO 360 Ca 0.02 2.37 -0.18 0.00 0.02 0.00 0.00 61.00 63.23 3iqs s PRO 360 Cb -0.19 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 3iqs s PRO 360 CO -0.08 -0.53 1.12 1.67 -0.33 0.00 0.00 177.00 178.84 3iqs s TRP 361 N 0.48 2.69 0.38 6.54 -2.14 -1.26 -4.98 118.94 120.65 3iqs s TRP 361 Ca 0.65 1.55 -0.28 0.00 2.66 0.00 0.00 56.10 60.67 3iqs s TRP 361 Cb -0.44 -3.24 -0.10 0.00 -3.10 0.00 0.00 33.47 26.59 3iqs s TRP 361 CO 0.39 -1.54 1.43 -0.51 -2.66 0.00 0.00 176.95 174.06 3iqs s ASP 362 N -2.02 6.37 0.00 -2.66 1.11 -1.26 -2.31 116.67 115.90 3iqs s ASP 362 Ca 0.71 2.95 0.00 0.00 0.18 0.00 0.00 52.55 56.38 3iqs s ASP 362 Cb -0.22 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.11 3iqs s ASP 362 CO 0.30 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.42 3iqs n GLY 363 N 0.55 1.43 0.23 0.21 0.00 -1.26 -4.92 105.19 101.43 3iqs n GLY 363 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3iqs n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iqs h LEU 364 N 0.00 -0.56 -0.89 0.99 6.46 -1.84 0.56 115.31 120.03 3iqs h LEU 364 Ca 0.00 0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 3iqs h LEU 364 Cb 0.00 0.37 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 3iqs h LEU 364 CO 0.00 -0.20 0.18 0.44 -0.62 0.00 0.00 178.44 178.25 3iqs h ASP 365 N -0.01 0.94 0.11 1.25 5.19 -1.91 -0.52 116.42 121.47 3iqs h ASP 365 Ca 0.28 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3iqs h ASP 365 Cb 0.43 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3iqs h ASP 365 CO -0.60 0.89 -0.05 -0.08 -3.12 0.00 0.00 179.24 176.28 3iqs h GLU 366 N 0.96 -0.14 -0.54 3.56 4.81 -1.37 0.12 114.58 121.98 3iqs h GLU 366 Ca 0.21 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3iqs h GLU 366 Cb 0.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3iqs h GLU 366 CO -0.00 0.10 0.08 0.45 -0.73 0.00 0.00 179.01 178.91 3iqs h HIS 367 N -0.38 0.96 -0.77 0.92 3.86 -1.06 -1.56 115.15 117.11 3iqs h HIS 367 Ca -0.02 -0.13 0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3iqs h HIS 367 Cb 0.31 -0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.45 3iqs h HIS 367 CO 0.00 0.85 0.43 1.03 0.86 0.00 0.00 177.93 181.10 3iqs h SER 368 N 0.79 0.61 -0.22 2.45 0.87 -0.95 0.23 113.55 117.32 3iqs h SER 368 Ca 0.16 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3iqs h SER 368 Cb 0.41 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3iqs h SER 368 CO 0.01 0.36 0.03 -0.61 -0.53 0.00 0.00 176.83 176.09 3iqs h GLN 369 N 0.74 0.36 -0.09 2.24 4.15 -0.58 -2.14 115.11 119.79 3iqs h GLN 369 Ca 0.37 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3iqs h GLN 369 Cb 0.32 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 3iqs h GLN 369 CO -0.23 0.51 0.05 0.22 -1.93 0.00 0.00 178.83 177.45 3iqs h ASP 370 N 0.16 0.12 -0.82 -0.69 3.58 -1.03 -2.28 116.42 115.45 3iqs h ASP 370 Ca 0.07 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.49 3iqs h ASP 370 Cb 0.33 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 3iqs h ASP 370 CO 0.01 0.15 0.54 -0.07 -2.88 0.00 0.00 179.24 176.99 3iqs h LEU 371 N 0.07 0.86 -0.92 2.28 3.38 -0.96 -1.43 115.31 118.59 3iqs h LEU 371 Ca 0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iqs h LEU 371 Cb 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3iqs h LEU 371 CO -0.01 0.58 0.61 0.28 0.09 0.00 0.00 178.44 180.00 3iqs h SER 372 N 1.00 1.04 -0.49 -0.43 0.02 -1.16 -1.05 113.55 112.49 3iqs h SER 372 Ca 0.33 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 3iqs h SER 372 Cb 0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3iqs h SER 372 CO -0.10 0.75 0.02 1.23 -1.14 0.00 0.00 176.83 177.58 3iqs h GLY 373 N 1.23 0.98 1.12 -3.77 0.00 -0.70 -2.01 103.07 99.91 3iqs h GLY 373 Ca 0.34 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3iqs h GLY 373 CO -0.08 0.62 -0.41 3.21 0.00 0.00 0.00 176.54 179.88 3iqs h ARG 374 N 0.84 0.92 -0.28 4.80 3.08 -1.01 -2.62 114.38 120.12 3iqs h ARG 374 Ca 0.16 -0.50 -0.07 0.00 0.07 0.00 0.00 59.98 59.64 3iqs h ARG 374 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3iqs h ARG 374 CO 0.02 1.15 -0.10 1.25 -1.07 0.00 0.00 179.97 181.23 3iqs h LEU 375 N 0.74 0.57 -1.50 3.04 5.85 -1.13 -0.55 115.31 122.33 3iqs h LEU 375 Ca 0.05 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3iqs h LEU 375 Cb 1.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3iqs h LEU 375 CO 0.10 0.83 0.35 -0.09 -0.34 0.00 0.00 178.44 179.28 3iqs h ARG 376 N 0.30 0.66 -0.06 1.25 2.43 -1.39 -0.45 114.38 117.12 3iqs h ARG 376 Ca 0.07 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 3iqs h ARG 376 Cb 0.60 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3iqs h ARG 376 CO 0.03 0.44 -0.82 0.00 -1.51 0.00 0.00 179.97 178.11 3iqs h ALA 377 N 1.68 0.45 -0.25 2.80 0.00 -1.27 -1.44 119.26 121.22 3iqs h ALA 377 Ca 0.20 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3iqs h ALA 377 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iqs h ALA 377 CO -0.05 0.76 0.09 0.82 0.00 0.00 0.00 179.25 180.88 3iqs h ILE 378 N 0.31 1.18 -0.16 0.00 2.04 -0.32 -3.19 117.51 117.38 3iqs h ILE 378 Ca -0.06 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3iqs h ILE 378 Cb 1.43 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3iqs h ILE 378 CO 0.15 0.19 -0.07 -0.07 0.00 0.00 0.00 178.15 178.35 3iqs h LEU 379 N 0.25 0.33 0.00 1.44 4.07 -1.16 -3.46 115.31 116.79 3iqs h LEU 379 Ca 0.08 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3iqs h LEU 379 Cb 0.20 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3iqs h LEU 379 CO -0.01 0.66 0.00 0.00 -1.08 0.00 0.00 178.44 178.02