#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3t s VAL 212 N 0.00 0.20 0.04 3.57 0.11 -1.26 -4.97 120.40 118.09 3i3t s VAL 212 Ca 0.00 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 3i3t s VAL 212 Cb 0.00 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3i3t s VAL 212 CO 0.00 -0.68 0.03 0.61 -3.33 0.00 0.00 175.10 171.73 3i3t n GLY 213 N 1.00 2.89 3.22 6.54 0.00 -1.26 -4.93 105.19 112.65 3i3t n GLY 213 Ca -0.20 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.40 3i3t n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3t s LEU 214 N 0.00 2.13 0.69 0.99 1.43 -0.45 0.27 118.68 123.73 3i3t s LEU 214 Ca 0.03 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3i3t s LEU 214 Cb -0.00 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.30 3i3t s LEU 214 CO 0.02 0.17 1.23 -0.13 0.23 0.00 0.00 176.35 177.87 3i3t s ARG 215 N -0.94 2.37 -0.08 1.70 1.81 0.32 -1.44 118.95 122.69 3i3t s ARG 215 Ca 0.07 1.86 -0.12 0.00 -1.72 0.00 0.00 55.73 55.81 3i3t s ARG 215 Cb -0.08 -1.85 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 3i3t s ARG 215 CO 0.01 -1.68 0.30 1.21 -0.68 0.00 0.00 175.30 174.46 3i3t s ASN 216 N -1.79 6.59 -0.15 0.23 3.04 -1.26 -4.81 114.94 116.80 3i3t s ASN 216 Ca 0.77 0.70 0.18 0.00 0.04 0.00 0.00 52.86 54.55 3i3t s ASN 216 Cb -0.32 -2.18 0.35 0.00 -1.54 0.00 0.00 41.25 37.56 3i3t s ASN 216 CO 0.42 0.29 1.21 0.18 -3.04 0.00 0.00 177.10 176.16 3i3t n LEU 217 N 2.34 2.68 0.00 3.21 4.77 -1.26 -4.97 117.00 123.76 3i3t n LEU 217 Ca -0.15 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 3i3t n LEU 217 Cb 0.53 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i3t n LEU 217 CO 0.36 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3i3t n GLY 218 N -1.26 0.34 2.53 -0.72 0.00 -1.26 -4.84 105.19 99.98 3i3t n GLY 218 Ca 0.18 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 3i3t n GLY 218 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3t n ASN 219 N 0.00 -5.31 -1.34 1.61 5.03 -1.26 -4.78 115.26 109.20 3i3t n ASN 219 Ca 0.00 0.46 -0.02 0.00 0.87 0.00 0.00 54.58 55.89 3i3t n ASN 219 Cb 0.00 -4.69 0.16 0.00 -1.02 0.00 0.00 39.78 34.23 3i3t n ASN 219 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3i3t n THR 220 N -2.44 1.63 0.28 3.41 -2.24 -1.26 -4.34 114.28 109.31 3i3t n THR 220 Ca -0.20 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 60.94 3i3t n THR 220 Cb 0.66 -0.52 0.81 0.00 -2.10 0.00 0.00 70.33 69.18 3i3t n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3t h PHE 222 N 0.00 0.00 0.03 0.00 -5.15 -1.87 0.28 116.94 110.23 3i3t h PHE 222 Ca -0.00 0.00 -0.35 0.00 -0.20 0.00 0.00 57.97 57.42 3i3t h PHE 222 Cb 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.38 3i3t h PHE 222 CO 0.00 0.00 -2.14 -0.11 -2.00 0.00 0.00 178.31 174.06 3i3t n LEU 223 N -2.91 1.67 0.16 2.10 0.00 -0.55 -3.12 117.00 114.35 3i3t n LEU 223 Ca 0.02 0.13 -0.14 0.00 0.00 0.00 0.00 56.01 56.02 3i3t n LEU 223 Cb 0.39 -0.37 -0.07 0.00 0.00 0.00 0.00 43.42 43.37 3i3t n LEU 223 CO 0.29 0.68 0.66 0.78 0.00 0.00 0.00 177.39 179.79 3i3t h ASN 224 N 0.02 -0.86 0.34 1.96 2.35 -0.86 -1.98 115.58 116.55 3i3t h ASN 224 Ca -0.46 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.26 3i3t h ASN 224 Cb 2.05 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 40.71 3i3t h ASN 224 CO 0.03 -0.42 -0.49 0.00 -1.65 0.00 0.00 177.43 174.90 3i3t h ALA 225 N 0.01 1.06 -0.23 -0.83 0.00 -0.59 -2.27 119.26 116.41 3i3t h ALA 225 Ca 0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3i3t h ALA 225 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i3t h ALA 225 CO -0.12 0.64 -0.29 0.28 0.00 0.00 0.00 179.25 179.76 3i3t h VAL 226 N 0.14 1.32 -0.68 0.00 2.07 -1.55 -3.10 116.25 114.45 3i3t h VAL 226 Ca 0.01 -1.48 0.13 0.00 0.82 0.00 0.00 66.70 66.17 3i3t h VAL 226 Cb 0.91 1.75 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 3i3t h VAL 226 CO 0.07 0.46 0.23 -0.07 0.02 0.00 0.00 177.57 178.28 3i3t h LEU 227 N 0.29 0.16 -0.14 2.57 4.07 -1.10 -0.05 115.31 121.11 3i3t h LEU 227 Ca 0.03 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3i3t h LEU 227 Cb 0.86 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 3i3t h LEU 227 CO 0.07 0.07 0.07 1.56 -1.08 0.00 0.00 178.44 179.13 3i3t h GLN 228 N 0.37 0.19 -0.78 1.13 1.08 -1.45 0.48 115.11 116.13 3i3t h GLN 228 Ca 0.36 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.55 3i3t h GLN 228 Cb 0.54 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.89 3i3t h GLN 228 CO -0.39 0.20 0.51 0.00 -0.95 0.00 0.00 178.83 178.20 3i3t h LEU 230 N 1.05 0.47 -2.38 0.00 3.38 -0.30 -2.81 115.31 114.73 3i3t h LEU 230 Ca 0.28 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3i3t h LEU 230 Cb -0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3i3t h LEU 230 CO -0.06 0.91 0.10 -1.28 0.09 0.00 0.00 178.44 178.20 3i3t h SER 231 N 0.05 0.00 0.09 -0.43 0.87 0.25 0.61 113.55 114.98 3i3t h SER 231 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3i3t h SER 231 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3i3t h SER 231 CO 0.05 0.00 -0.02 -1.20 -0.53 0.00 0.00 176.83 175.13 3i3t n SER 232 N -3.76 0.54 -4.36 6.23 7.64 0.15 -4.61 113.62 115.46 3i3t n SER 232 Ca -0.01 -1.04 -0.45 0.00 1.01 0.00 0.00 58.87 58.38 3i3t n SER 232 Cb 0.20 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 3i3t n SER 232 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i3t s THR 233 N -2.11 5.02 0.17 0.44 2.01 0.21 -4.95 115.64 116.43 3i3t s THR 233 Ca 0.41 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.90 3i3t s THR 233 Cb 0.21 -4.47 0.07 0.00 0.01 0.00 0.00 72.50 68.32 3i3t s THR 233 CO 0.38 -1.07 1.83 0.03 -0.69 0.00 0.00 174.62 175.10 3i3t h ARG 234 N 8.90 0.73 -0.16 4.92 3.08 -1.83 0.13 114.38 130.14 3i3t h ARG 234 Ca -0.21 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3i3t h ARG 234 Cb 1.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3i3t h ARG 234 CO 1.04 0.50 -0.08 -1.35 -1.07 0.00 0.00 179.97 179.01 3i3t h PRO 235 N 0.73 0.25 -0.08 0.04 0.11 -1.96 -1.94 132.00 129.16 3i3t h PRO 235 Ca 0.20 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 3i3t h PRO 235 Cb -0.05 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.03 3i3t h PRO 235 CO -0.04 0.34 -0.60 1.25 -0.21 0.00 0.00 178.00 178.74 3i3t h LEU 236 N 0.24 0.66 0.23 2.35 5.85 -1.60 -2.01 115.31 121.04 3i3t h LEU 236 Ca 0.05 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.11 3i3t h LEU 236 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3i3t h LEU 236 CO 0.01 1.24 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.89 3i3t h ARG 237 N 0.14 -0.65 -0.56 1.25 2.43 -0.64 -1.64 114.38 114.71 3i3t h ARG 237 Ca -0.05 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3i3t h ARG 237 Cb 1.26 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.90 3i3t h ARG 237 CO 0.12 -0.44 0.25 -0.44 -1.51 0.00 0.00 179.97 177.96 3i3t h ASP 238 N -0.68 0.31 -1.05 -3.80 3.32 -1.41 0.29 116.42 113.40 3i3t h ASP 238 Ca 0.00 0.05 0.28 0.00 0.02 0.00 0.00 57.03 57.38 3i3t h ASP 238 Cb 0.66 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.11 3i3t h ASP 238 CO -0.15 0.20 0.66 0.15 -1.72 0.00 0.00 179.24 178.38 3i3t h PHE 239 N 0.46 0.75 0.01 4.55 3.57 -1.10 -1.30 116.94 123.89 3i3t h PHE 239 Ca 0.27 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 3i3t h PHE 239 Cb 0.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3i3t h PHE 239 CO -0.13 0.02 -0.00 0.00 -2.23 0.00 0.00 178.31 175.97 3i3t h LEU 241 N -0.94 0.48 -0.00 0.00 3.38 -0.79 -1.62 115.31 115.81 3i3t h LEU 241 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i3t h LEU 241 Cb 0.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3i3t h LEU 241 CO 0.00 0.34 -0.10 0.54 0.09 0.00 0.00 178.44 179.32 3i3t n ARG 242 N -4.47 0.00 -3.96 1.13 1.74 -0.51 -4.94 116.66 105.64 3i3t n ARG 242 Ca 0.04 -0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 3i3t n ARG 242 Cb 0.08 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3i3t n ARG 242 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i3t n ARG 243 N -1.50 -4.92 0.22 5.56 1.74 -0.61 -4.87 116.66 112.28 3i3t n ARG 243 Ca 0.07 0.55 0.16 0.00 -0.77 0.00 0.00 57.85 57.85 3i3t n ARG 243 Cb 0.34 -5.35 0.68 0.00 -1.02 0.00 0.00 32.46 27.11 3i3t n ARG 243 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3t h ASP 244 N -1.95 0.00 -0.29 0.55 3.32 -1.70 -2.81 116.42 113.55 3i3t h ASP 244 Ca -0.59 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.35 3i3t h ASP 244 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3i3t h ASP 244 CO 0.69 0.00 -0.20 2.19 -1.72 0.00 0.00 179.24 180.19 3i3t h PHE 245 N 0.00 0.85 -0.98 4.55 -5.15 -1.90 -2.38 116.94 111.93 3i3t h PHE 245 Ca 0.00 -0.18 0.31 0.00 -0.20 0.00 0.00 57.97 57.89 3i3t h PHE 245 Cb 0.33 -0.21 -0.18 0.00 0.22 0.00 0.00 35.95 36.11 3i3t h PHE 245 CO 0.00 0.89 0.16 0.54 -2.00 0.00 0.00 178.31 177.90 3i3t n ARG 246 N -4.12 -0.07 0.00 6.09 3.00 -1.06 -2.01 116.66 118.49 3i3t n ARG 246 Ca 0.00 1.44 0.11 0.00 -0.01 0.00 0.00 57.85 59.40 3i3t n ARG 246 Cb 0.42 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.51 3i3t n ARG 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3i3t n GLN 247 N -5.41 1.03 0.29 5.56 1.13 -0.90 -3.88 117.38 115.21 3i3t n GLN 247 Ca 0.27 -0.84 0.16 0.00 -1.94 0.00 0.00 57.00 54.65 3i3t n GLN 247 Cb 0.89 -1.48 0.89 0.00 0.11 0.00 0.00 30.24 30.65 3i3t n GLN 247 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3i3t h GLU 248 N 2.06 0.00 -3.91 -1.09 4.39 -1.29 -3.53 114.58 111.20 3i3t h GLU 248 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i3t h GLU 248 Cb 0.71 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 3i3t h GLU 248 CO 0.00 0.05 -0.57 0.28 -1.16 0.00 0.00 179.01 177.61 3i3t n VAL 249 N -3.49 -6.90 0.00 3.13 0.31 -1.25 -4.53 118.33 105.60 3i3t n VAL 249 Ca -0.02 1.02 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 3i3t n VAL 249 Cb 0.17 -5.08 0.00 0.00 -0.91 0.00 0.00 33.84 28.02 3i3t n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i3t n GLN 256 N 0.52 0.00 0.08 5.55 6.02 -1.26 -4.61 117.38 123.68 3i3t n GLN 256 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 3i3t n GLN 256 Cb 0.14 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.33 3i3t n GLN 256 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i3t h GLU 257 N 0.00 -0.12 -0.31 -1.09 4.81 -1.98 -0.72 114.58 115.17 3i3t h GLU 257 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3i3t h GLU 257 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3i3t h GLU 257 CO 0.00 -0.00 -0.20 1.25 -0.73 0.00 0.00 179.01 179.33 3i3t h LEU 258 N -0.22 0.57 -0.56 1.64 5.85 -1.97 -1.24 115.31 119.39 3i3t h LEU 258 Ca -0.01 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 3i3t h LEU 258 Cb 0.18 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3i3t h LEU 258 CO 0.02 0.77 0.02 0.74 -0.34 0.00 0.00 178.44 179.66 3i3t h THR 259 N 0.51 1.26 0.00 1.05 2.02 -1.89 0.60 112.91 116.46 3i3t h THR 259 Ca 0.08 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3i3t h THR 259 Cb 0.63 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3i3t h THR 259 CO 0.04 0.39 -0.12 -0.33 0.37 0.00 0.00 175.52 175.88 3i3t h GLU 260 N 0.85 0.00 0.06 6.66 5.08 -0.80 0.63 114.58 127.06 3i3t h GLU 260 Ca 0.16 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.23 3i3t h GLU 260 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3i3t h GLU 260 CO 0.02 0.12 -1.54 0.00 -1.00 0.00 0.00 179.01 176.61 3i3t h ALA 261 N 1.88 0.48 0.57 3.43 0.00 -0.75 -3.32 119.26 121.55 3i3t h ALA 261 Ca -0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 54.91 53.65 3i3t h ALA 261 Cb 0.55 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3i3t h ALA 261 CO 0.02 1.34 -0.27 0.35 0.00 0.00 0.00 179.25 180.68 3i3t h PHE 262 N 0.03 -0.71 -0.80 0.00 3.57 -0.68 -2.95 116.94 115.42 3i3t h PHE 262 Ca -0.23 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.47 3i3t h PHE 262 Cb 1.97 0.23 -0.15 0.00 2.79 0.00 0.00 35.95 40.80 3i3t h PHE 262 CO 0.03 -0.44 0.01 0.00 -2.23 0.00 0.00 178.31 175.68 3i3t n ALA 263 N -2.55 0.40 1.01 2.41 0.00 0.20 0.23 120.51 122.22 3i3t n ALA 263 Ca -0.09 0.85 0.12 0.00 0.00 0.00 0.00 53.44 54.32 3i3t n ALA 263 Cb 0.30 -0.62 0.32 0.00 0.00 0.00 0.00 19.45 19.45 3i3t n ALA 263 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3t n ASP 264 N -5.13 2.25 -0.05 0.00 5.68 -1.20 -0.80 116.55 117.30 3i3t n ASP 264 Ca 0.19 -1.78 -0.11 0.00 -0.50 0.00 0.00 54.79 52.59 3i3t n ASP 264 Cb 0.61 -0.11 -0.10 0.00 -1.14 0.00 0.00 41.12 40.38 3i3t n ASP 264 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3i3t h VAL 265 N 3.11 1.30 -1.06 2.12 2.07 -0.04 -2.40 116.25 121.36 3i3t h VAL 265 Ca 0.00 -1.87 0.34 0.00 0.82 0.00 0.00 66.70 66.00 3i3t h VAL 265 Cb 0.68 2.41 -0.14 0.00 -1.52 0.00 0.00 31.29 32.72 3i3t h VAL 265 CO 0.00 0.42 0.63 0.40 0.02 0.00 0.00 177.57 179.04 3i3t h ILE 266 N -0.95 0.27 0.58 4.57 1.08 -1.42 -1.88 117.51 119.75 3i3t h ILE 266 Ca -0.00 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 3i3t h ILE 266 Cb 0.71 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3i3t h ILE 266 CO 0.00 0.05 -0.28 1.23 -0.69 0.00 0.00 178.15 178.46 3i3t h GLY 267 N 0.27 -0.81 -1.56 5.37 0.00 -0.93 -2.66 103.07 102.75 3i3t h GLY 267 Ca 0.75 0.30 0.48 0.00 0.00 0.00 0.00 47.33 48.86 3i3t h GLY 267 CO -0.56 -0.30 1.31 0.00 0.00 0.00 0.00 176.54 177.00 3i3t h ALA 268 N -0.70 3.58 -0.01 3.60 0.00 -0.83 -1.77 119.26 123.13 3i3t h ALA 268 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i3t h ALA 268 Cb 0.65 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i3t h ALA 268 CO 0.13 -2.17 -0.24 1.28 0.00 0.00 0.00 179.25 178.25 3i3t n LEU 269 N -3.80 1.21 0.00 0.00 4.77 -0.94 -4.73 117.00 113.51 3i3t n LEU 269 Ca 0.37 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3i3t n LEU 269 Cb 1.82 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.82 3i3t n LEU 269 CO 0.39 0.22 0.00 1.87 -1.33 0.00 0.00 177.39 178.54 3i3t n TRP 270 N -0.45 0.00 -3.70 -1.77 -0.00 -0.67 -4.51 117.44 106.35 3i3t n TRP 270 Ca 0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.31 3i3t n TRP 270 Cb 0.36 -0.34 -0.09 0.00 -0.00 0.00 0.00 31.31 31.25 3i3t n TRP 270 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 3i3t n HIS 271 N -2.15 3.69 -2.47 5.87 8.25 -1.26 -5.03 115.22 122.12 3i3t n HIS 271 Ca 0.00 -4.16 -0.40 0.00 -0.26 0.00 0.00 57.72 52.90 3i3t n HIS 271 Cb 0.00 -0.86 -0.04 0.00 1.12 0.00 0.00 29.99 30.21 3i3t n HIS 271 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3t s PRO 272 N -1.62 4.63 -0.12 -0.41 0.04 -1.26 -4.95 135.00 131.31 3i3t s PRO 272 Ca 0.28 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 3i3t s PRO 272 Cb -0.03 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 3i3t s PRO 272 CO -0.12 0.19 -0.02 0.38 0.04 0.00 0.00 177.00 177.46 3i3t h ASP 273 N 3.93 0.00 -3.90 6.66 2.03 -1.97 -3.48 116.42 119.69 3i3t h ASP 273 Ca -0.47 -0.07 -0.44 0.00 -0.73 0.00 0.00 57.03 55.32 3i3t h ASP 273 Cb 1.21 0.00 0.16 0.00 -0.83 0.00 0.00 39.33 39.88 3i3t h ASP 273 CO 0.67 0.67 0.28 -0.94 -1.03 0.00 0.00 179.24 178.90 3i3t s SER 274 N -5.72 2.43 0.00 4.15 1.04 -1.26 -5.02 113.70 109.33 3i3t s SER 274 Ca -0.08 0.61 0.24 0.00 0.48 0.00 0.00 55.95 57.19 3i3t s SER 274 Cb 0.01 -0.89 0.12 0.00 0.10 0.00 0.00 66.02 65.37 3i3t s SER 274 CO 0.15 -3.19 1.20 0.00 0.98 0.00 0.00 173.24 172.38 3i3t n GLU 276 N 0.87 0.49 -2.27 0.00 -0.58 -1.26 -4.80 120.64 113.09 3i3t n GLU 276 Ca 0.12 0.17 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 3i3t n GLU 276 Cb 0.55 -1.58 -0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3i3t n GLU 276 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i3t s ALA 277 N -0.23 2.71 0.37 0.62 0.00 -1.26 -4.71 121.76 119.26 3i3t s ALA 277 Ca 0.79 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 53.26 3i3t s ALA 277 Cb -1.03 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 18.66 3i3t s ALA 277 CO 0.54 -0.74 1.08 0.08 0.00 0.00 0.00 175.76 176.72 3i3t s VAL 278 N -1.85 3.58 -0.35 0.00 1.01 0.14 -4.73 120.40 118.21 3i3t s VAL 278 Ca 0.71 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.88 3i3t s VAL 278 Cb -0.22 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3i3t s VAL 278 CO 0.27 0.10 0.23 0.21 0.00 0.00 0.00 175.10 175.91 3i3t s ASN 279 N -1.35 5.92 -0.24 3.32 3.84 -1.26 -0.52 114.94 124.65 3i3t s ASN 279 Ca 0.55 -0.56 0.11 0.00 0.21 0.00 0.00 52.86 53.16 3i3t s ASN 279 Cb -0.26 -2.10 0.70 0.00 -0.55 0.00 0.00 41.25 39.04 3i3t s ASN 279 CO 0.32 -0.27 1.62 -0.81 -2.79 0.00 0.00 177.10 175.18 3i3t n PRO 280 N 5.08 4.07 -0.35 0.43 -0.04 -1.26 -4.68 135.00 138.25 3i3t n PRO 280 Ca -0.13 -2.73 -0.10 0.00 -0.04 0.00 0.00 63.50 60.50 3i3t n PRO 280 Cb 0.49 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.70 3i3t n PRO 280 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i3t h THR 281 N 3.10 0.00 0.45 0.52 2.02 -1.97 -2.06 112.91 114.97 3i3t h THR 281 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3i3t h THR 281 Cb 1.92 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3i3t h THR 281 CO 0.51 0.00 -0.21 -0.09 0.37 0.00 0.00 175.52 176.10 3i3t h ARG 282 N -0.05 -0.58 -0.73 6.66 9.65 -1.99 0.16 114.38 127.49 3i3t h ARG 282 Ca 0.13 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.22 3i3t h ARG 282 Cb 0.40 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 28.98 3i3t h ARG 282 CO -0.81 -0.34 0.04 0.35 2.80 0.00 0.00 179.97 182.01 3i3t h PHE 283 N -0.67 0.02 -0.32 2.20 3.57 -1.82 0.40 116.94 120.31 3i3t h PHE 283 Ca -0.06 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3i3t h PHE 283 Cb 0.50 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3i3t h PHE 283 CO -0.03 -0.20 -0.34 -0.09 -2.23 0.00 0.00 178.31 175.42 3i3t h ARG 284 N 0.13 0.70 -0.51 1.11 2.43 -0.40 0.34 114.38 118.19 3i3t h ARG 284 Ca 0.40 -0.33 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 3i3t h ARG 284 Cb 0.71 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 3i3t h ARG 284 CO -0.62 0.93 -0.05 0.00 -1.51 0.00 0.00 179.97 178.72 3i3t h ALA 285 N 1.04 0.42 -0.39 2.80 0.00 0.12 -1.24 119.26 122.00 3i3t h ALA 285 Ca 0.06 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3i3t h ALA 285 Cb 0.85 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3i3t h ALA 285 CO 0.07 -0.41 -0.21 0.28 0.00 0.00 0.00 179.25 178.98 3i3t h VAL 286 N 0.06 1.28 -0.47 0.00 2.07 -0.79 -2.44 116.25 115.97 3i3t h VAL 286 Ca 0.25 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3i3t h VAL 286 Cb 0.39 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3i3t h VAL 286 CO -0.47 0.45 0.26 0.15 0.02 0.00 0.00 177.57 177.99 3i3t h PHE 287 N 0.64 0.49 0.00 1.57 3.57 -0.61 -2.28 116.94 120.32 3i3t h PHE 287 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3i3t h PHE 287 Cb 0.77 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3i3t h PHE 287 CO 0.06 0.27 -0.06 -0.56 -2.23 0.00 0.00 178.31 175.79 3i3t h GLN 288 N 0.53 0.00 -0.61 1.11 3.07 -1.19 -2.08 115.11 115.94 3i3t h GLN 288 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.86 3i3t h GLN 288 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 3i3t h GLN 288 CO -0.10 0.00 0.11 -0.22 0.09 0.00 0.00 178.83 178.71 3i3t h LYS 289 N 0.00 0.97 -0.02 0.06 1.63 -0.91 -2.97 116.57 115.33 3i3t h LYS 289 Ca 0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3i3t h LYS 289 Cb 0.79 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 3i3t h LYS 289 CO 0.00 0.89 -0.11 0.66 -3.45 0.00 0.00 179.45 177.44 3i3t n TYR 290 N -4.23 0.00 -3.04 1.91 4.01 -1.04 -4.48 117.16 110.29 3i3t n TYR 290 Ca 0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.60 3i3t n TYR 290 Cb 0.27 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 3i3t n TYR 290 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3i3t n VAL 291 N 0.52 -0.38 0.16 -0.72 0.31 -0.81 -5.02 118.33 112.38 3i3t n VAL 291 Ca 0.15 -3.23 0.16 0.00 -0.01 0.00 0.00 64.34 61.41 3i3t n VAL 291 Cb 0.47 -0.53 0.75 0.00 -0.91 0.00 0.00 33.84 33.62 3i3t n VAL 291 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i3t h PRO 292 N 3.79 0.00 0.00 5.55 0.13 -1.74 0.31 132.00 140.03 3i3t h PRO 292 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i3t h PRO 292 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3i3t h PRO 292 CO 0.41 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.05 3i3t n SER 293 N -4.11 0.00 -1.35 1.44 3.41 -1.26 -1.91 113.62 109.84 3i3t n SER 293 Ca 0.03 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 3i3t n SER 293 Cb 0.36 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.19 3i3t n SER 293 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i3t n PHE 294 N -1.41 1.50 -1.82 7.33 3.01 0.10 -5.00 117.46 121.18 3i3t n PHE 294 Ca 0.00 -1.04 -0.31 0.00 1.01 0.00 0.00 57.45 57.11 3i3t n PHE 294 Cb 0.00 -0.46 0.03 0.00 -0.01 0.00 0.00 39.48 39.04 3i3t n PHE 294 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i3t s SER 295 N -1.64 5.80 0.00 4.37 1.04 -0.80 -4.87 113.70 117.60 3i3t s SER 295 Ca 0.48 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.27 3i3t s SER 295 Cb 0.39 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 64.21 3i3t s SER 295 CO 0.10 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3i3t n GLY 296 N -2.68 -1.80 0.38 7.32 0.00 -1.26 -4.71 105.19 102.44 3i3t n GLY 296 Ca 0.07 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.28 3i3t n GLY 296 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i3t n TYR 297 N 0.00 0.00 -2.15 1.61 4.02 -1.26 -5.07 117.16 114.32 3i3t n TYR 297 Ca 0.00 -0.11 -0.38 0.00 -0.01 0.00 0.00 57.90 57.39 3i3t n TYR 297 Cb 0.00 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3i3t n TYR 297 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3t s SER 298 N -1.07 6.20 0.63 7.72 1.04 -1.26 -4.49 113.70 122.47 3i3t s SER 298 Ca 0.03 2.48 -0.18 0.00 0.48 0.00 0.00 55.95 58.76 3i3t s SER 298 Cb 0.03 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 3i3t s SER 298 CO 0.00 -0.91 1.30 -1.10 0.98 0.00 0.00 173.24 173.51 3i3t s GLN 299 N -2.48 2.63 0.17 4.02 -0.21 -1.26 -4.91 119.66 117.62 3i3t s GLN 299 Ca 0.61 2.07 -0.11 0.00 0.02 0.00 0.00 55.36 57.94 3i3t s GLN 299 Cb -0.33 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 31.79 3i3t s GLN 299 CO 0.42 -1.54 0.35 -0.65 -2.12 0.00 0.00 175.29 171.75 3i3t s GLN 300 N -3.33 1.20 -0.08 2.91 -0.21 -1.26 -5.12 119.66 113.77 3i3t s GLN 300 Ca 0.81 -1.06 -0.21 0.00 0.02 0.00 0.00 55.36 54.92 3i3t s GLN 300 Cb -0.37 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 3i3t s GLN 300 CO 0.40 -0.46 0.58 0.34 -2.12 0.00 0.00 175.29 174.03 3i3t s ASP 301 N -2.93 6.85 0.12 5.90 -1.08 -1.26 -4.83 116.67 119.44 3i3t s ASP 301 Ca 0.14 1.02 -0.16 0.00 -0.52 0.00 0.00 52.55 53.03 3i3t s ASP 301 Cb 0.02 -2.35 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3i3t s ASP 301 CO -0.02 -0.03 1.62 0.00 0.52 0.00 0.00 175.17 177.27 3i3t h ALA 302 N 6.54 0.50 0.00 3.66 0.00 -1.99 0.19 119.26 128.15 3i3t h ALA 302 Ca -0.42 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3i3t h ALA 302 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i3t h ALA 302 CO 0.74 0.17 -0.37 -0.56 0.00 0.00 0.00 179.25 179.23 3i3t h GLN 303 N 0.47 0.00 -0.08 0.00 -0.00 -1.94 0.58 115.11 114.13 3i3t h GLN 303 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.70 3i3t h GLN 303 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 3i3t h GLN 303 CO 0.00 0.37 -0.20 1.49 -0.00 0.00 0.00 178.83 180.49 3i3t h GLU 304 N 0.00 0.28 0.18 0.06 4.81 -1.87 -2.02 114.58 116.02 3i3t h GLU 304 Ca -0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3i3t h GLU 304 Cb 0.97 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 3i3t h GLU 304 CO 0.05 0.80 -0.39 0.35 -0.73 0.00 0.00 179.01 179.09 3i3t h PHE 305 N -0.19 -1.08 -0.14 0.92 3.57 0.01 -1.19 116.94 118.84 3i3t h PHE 305 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3i3t h PHE 305 Cb 0.81 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 3i3t h PHE 305 CO 0.12 -0.50 0.15 1.25 -2.23 0.00 0.00 178.31 177.10 3i3t h LEU 306 N -0.66 0.00 0.22 0.59 5.85 -0.96 -0.16 115.31 120.19 3i3t h LEU 306 Ca 0.01 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.40 3i3t h LEU 306 Cb 0.66 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.72 3i3t h LEU 306 CO -0.19 0.00 -1.50 0.50 -0.34 0.00 0.00 178.44 176.90 3i3t h LYS 307 N 0.00 0.46 0.00 1.25 3.64 -0.47 -2.27 116.57 119.17 3i3t h LYS 307 Ca 0.06 -0.79 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 3i3t h LYS 307 Cb 0.37 0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i3t h LYS 307 CO -0.00 1.37 -0.03 -0.07 -2.27 0.00 0.00 179.45 178.45 3i3t h LEU 308 N 0.13 0.00 -0.01 5.20 4.07 -1.04 -2.42 115.31 121.24 3i3t h LEU 308 Ca -0.25 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.65 3i3t h LEU 308 Cb 2.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.87 3i3t h LEU 308 CO 0.24 0.03 -0.22 0.25 -1.08 0.00 0.00 178.44 177.66 3i3t h LEU 309 N 0.00 0.21 -0.75 1.67 5.85 -1.03 -3.15 115.31 118.11 3i3t h LEU 309 Ca -0.00 -0.75 0.04 0.00 0.84 0.00 0.00 57.88 58.02 3i3t h LEU 309 Cb 0.96 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 3i3t h LEU 309 CO 0.00 0.93 0.46 0.24 -0.34 0.00 0.00 178.44 179.74 3i3t h MET 310 N -0.49 0.84 -0.45 1.25 2.86 -1.42 -2.05 114.93 115.48 3i3t h MET 310 Ca -0.02 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3i3t h MET 310 Cb 0.96 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.35 3i3t h MET 310 CO 0.04 0.56 -0.03 0.93 1.06 0.00 0.00 176.91 179.47 3i3t h GLU 311 N 0.87 0.08 0.40 1.72 5.08 -1.52 0.13 114.58 121.33 3i3t h GLU 311 Ca 0.31 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3i3t h GLU 311 Cb 0.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i3t h GLU 311 CO -0.14 0.05 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.64 3i3t h ARG 312 N 0.08 -0.51 -0.88 2.33 9.65 -1.49 -2.55 114.38 121.01 3i3t h ARG 312 Ca 0.22 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.30 3i3t h ARG 312 Cb 0.34 0.12 -0.16 0.00 -1.39 0.00 0.00 29.97 28.88 3i3t h ARG 312 CO -0.40 -0.22 -0.31 -0.07 2.80 0.00 0.00 179.97 181.77 3i3t h LEU 313 N -0.79 -1.15 -0.33 3.80 4.07 -1.30 -0.35 115.31 119.27 3i3t h LEU 313 Ca -0.05 0.28 0.03 0.00 0.08 0.00 0.00 57.88 58.22 3i3t h LEU 313 Cb 0.53 0.65 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 3i3t h LEU 313 CO 0.09 -0.30 0.14 -0.74 -1.08 0.00 0.00 178.44 176.55 3i3t h HIS 314 N -0.03 0.25 0.44 1.13 2.76 -0.70 -1.60 115.15 117.40 3i3t h HIS 314 Ca 0.36 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 3i3t h HIS 314 Cb 0.61 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 3i3t h HIS 314 CO -0.76 0.12 -0.41 1.25 -1.30 0.00 0.00 177.93 176.84 3i3t h LEU 315 N 0.30 -1.10 -2.20 0.26 5.85 -0.96 0.12 115.31 117.57 3i3t h LEU 315 Ca 0.14 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3i3t h LEU 315 Cb 0.09 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3i3t h LEU 315 CO -0.12 -0.55 0.27 -0.33 -0.34 0.00 0.00 178.44 177.37 3i3t h GLU 316 N -0.83 0.00 -0.01 1.25 5.08 -0.49 -2.62 114.58 116.96 3i3t h GLU 316 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i3t h GLU 316 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3i3t h GLU 316 CO -0.03 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.42 3i3t n ILE 317 N -3.42 0.82 -1.60 3.13 -5.35 -0.66 -4.82 119.36 107.46 3i3t n ILE 317 Ca 0.01 -0.91 -0.50 0.00 -0.27 0.00 0.00 62.75 61.08 3i3t n ILE 317 Cb 0.37 0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 38.81 3i3t n ILE 317 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i3t n ASN 318 N -0.36 1.85 0.04 7.28 2.85 0.39 -4.62 115.26 122.69 3i3t n ASN 318 Ca 0.01 1.12 -0.09 0.00 -0.11 0.00 0.00 54.58 55.50 3i3t n ASN 318 Cb 0.21 -1.24 -0.13 0.00 1.24 0.00 0.00 39.78 39.86 3i3t n ASN 318 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3i3t h ARG 319 N 4.50 0.05 0.00 1.20 3.08 -0.54 -3.44 114.38 119.24 3i3t h ARG 319 Ca -0.46 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3i3t h ARG 319 Cb 1.32 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3i3t h ARG 319 CO 0.78 0.91 0.00 0.54 -1.07 0.00 0.00 179.97 181.13 3i3t n ARG 320 N -3.30 0.56 0.00 0.04 1.74 -1.24 -4.97 116.66 109.48 3i3t n ARG 320 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i3t n ARG 320 Cb 0.99 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.43 3i3t n ARG 320 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i3t n LEU 349 N 0.00 0.00 -4.85 0.55 7.94 -1.26 -5.02 117.00 114.36 3i3t n LEU 349 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3i3t n LEU 349 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3i3t n LEU 349 CO 0.00 0.00 0.37 -0.55 -1.11 0.00 0.00 177.39 176.10 3i3t s SER 350 N 0.00 6.80 0.18 1.96 0.15 -1.26 -4.91 113.70 116.62 3i3t s SER 350 Ca 0.00 1.23 -0.23 0.00 0.70 0.00 0.00 55.95 57.65 3i3t s SER 350 Cb 0.00 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 62.04 3i3t s SER 350 CO 0.00 -0.13 1.57 0.44 1.20 0.00 0.00 173.24 176.33 3i3t h ASP 351 N 2.57 -1.37 0.59 5.45 5.19 -2.02 -0.48 116.42 126.36 3i3t h ASP 351 Ca -0.48 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 3i3t h ASP 351 Cb 1.18 0.65 -0.00 0.00 0.18 0.00 0.00 39.33 41.33 3i3t h ASP 351 CO 0.66 -0.32 -0.06 0.44 -3.12 0.00 0.00 179.24 176.84 3i3t h ASP 352 N -0.18 0.00 0.05 6.45 3.32 -1.99 -2.37 116.42 121.69 3i3t h ASP 352 Ca 0.21 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 3i3t h ASP 352 Cb 0.56 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.12 3i3t h ASP 352 CO -0.71 0.06 -0.66 0.44 -1.72 0.00 0.00 179.24 176.65 3i3t h ASP 353 N 0.00 0.51 -0.38 6.45 3.32 -1.53 -2.39 116.42 122.40 3i3t h ASP 353 Ca -0.00 -0.82 0.03 0.00 0.02 0.00 0.00 57.03 56.25 3i3t h ASP 353 Cb 0.38 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3i3t h ASP 353 CO 0.01 1.27 0.19 0.03 -1.72 0.00 0.00 179.24 179.02 3i3t h ARG 354 N -0.20 0.38 0.19 3.56 3.08 -1.12 -0.89 114.38 119.38 3i3t h ARG 354 Ca -0.10 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3i3t h ARG 354 Cb 1.41 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.34 3i3t h ARG 354 CO 0.13 0.25 -0.51 0.00 -1.07 0.00 0.00 179.97 178.77 3i3t h ALA 355 N 1.19 -1.02 -0.94 0.04 0.00 -1.42 0.30 119.26 117.42 3i3t h ALA 355 Ca 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i3t h ALA 355 Cb 0.06 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3i3t h ALA 355 CO -0.11 -1.13 0.62 -0.91 0.00 0.00 0.00 179.25 177.73 3i3t h ASN 356 N -0.78 1.05 0.10 0.00 2.35 -1.35 0.73 115.58 117.69 3i3t h ASN 356 Ca -0.02 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i3t h ASN 356 Cb 0.76 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3i3t h ASN 356 CO -0.24 0.75 -0.07 0.25 -1.65 0.00 0.00 177.43 176.47 3i3t h LEU 357 N 1.24 -0.17 -1.82 1.61 7.12 -0.56 0.06 115.31 122.79 3i3t h LEU 357 Ca 0.36 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.36 3i3t h LEU 357 Cb -0.08 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.10 3i3t h LEU 357 CO -0.09 -0.11 -0.10 0.24 -0.13 0.00 0.00 178.44 178.25 3i3t h MET 358 N -0.17 0.00 -0.25 1.25 2.86 0.20 -1.61 114.93 117.21 3i3t h MET 358 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3i3t h MET 358 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3i3t h MET 358 CO 0.01 0.10 -0.37 2.35 1.06 0.00 0.00 176.91 180.06 3i3t h TRP 359 N 0.00 0.84 -0.06 -0.22 2.91 -0.12 -1.67 115.95 117.63 3i3t h TRP 359 Ca -0.00 -0.28 -0.21 0.00 1.13 0.00 0.00 58.89 59.52 3i3t h TRP 359 Cb 0.19 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 3i3t h TRP 359 CO 0.00 1.04 -0.84 0.87 -1.03 0.00 0.00 178.44 178.49 3i3t h LYS 360 N 0.40 0.51 -0.79 2.65 1.57 -0.69 -0.56 116.57 119.66 3i3t h LYS 360 Ca 0.02 -0.47 0.02 0.00 -1.87 0.00 0.00 60.65 58.35 3i3t h LYS 360 Cb 0.95 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 3i3t h LYS 360 CO 0.08 1.10 0.52 0.00 -0.57 0.00 0.00 179.45 180.59 3i3t h ARG 361 N 0.32 1.01 -0.29 3.15 3.08 -1.32 -1.83 114.38 118.51 3i3t h ARG 361 Ca -0.06 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3i3t h ARG 361 Cb 1.45 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3i3t h ARG 361 CO 0.15 0.67 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.66 3i3t h TYR 362 N 1.04 0.69 0.00 3.04 3.20 -0.93 -2.96 116.97 121.04 3i3t h TYR 362 Ca 0.30 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3i3t h TYR 362 Cb -0.08 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.03 3i3t h TYR 362 CO -0.00 0.83 0.00 1.28 -1.64 0.00 0.00 178.16 178.63 3i3t n LEU 363 N -4.42 0.00 0.06 2.82 4.77 -0.25 -1.38 117.00 118.60 3i3t n LEU 363 Ca -0.03 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 3i3t n LEU 363 Cb 0.37 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 3i3t n LEU 363 CO 0.41 -0.21 0.15 -0.33 -1.33 0.00 0.00 177.39 176.08 3i3t h GLU 364 N 0.00 0.00 0.00 3.23 5.08 -1.17 -3.38 114.58 118.34 3i3t h GLU 364 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3i3t h GLU 364 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3i3t h GLU 364 CO 0.00 0.95 -2.12 2.89 -1.00 0.00 0.00 179.01 179.74 3i3t n ARG 365 N -3.33 1.16 -3.98 2.33 1.85 -1.14 -4.85 116.66 108.69 3i3t n ARG 365 Ca -0.00 0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.53 3i3t n ARG 365 Cb 0.93 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.78 3i3t n ARG 365 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3i3t s GLU 366 N -2.39 2.62 -0.27 2.89 0.41 -0.48 -4.56 118.70 116.92 3i3t s GLU 366 Ca -0.13 -1.12 -0.10 0.00 -0.41 0.00 0.00 54.97 53.21 3i3t s GLU 366 Cb 0.05 -2.98 0.11 0.00 -1.78 0.00 0.00 34.13 29.54 3i3t s GLU 366 CO 0.61 -0.48 0.59 0.34 -0.49 0.00 0.00 175.26 175.84 3i3t s ASP 367 N 1.26 -0.89 0.20 -0.19 2.15 -1.26 -3.77 116.67 114.17 3i3t s ASP 367 Ca -0.03 1.40 -0.22 0.00 0.43 0.00 0.00 52.55 54.14 3i3t s ASP 367 Cb -0.18 1.88 0.07 0.00 -0.30 0.00 0.00 42.92 44.40 3i3t s ASP 367 CO -0.04 -0.22 1.02 -0.94 -0.17 0.00 0.00 175.17 174.81 3i3t s SER 368 N 2.57 0.01 0.42 -0.34 1.04 -1.26 0.14 113.70 116.28 3i3t s SER 368 Ca -0.06 -0.72 0.14 0.00 0.48 0.00 0.00 55.95 55.80 3i3t s SER 368 Cb -0.11 0.53 0.91 0.00 0.10 0.00 0.00 66.02 67.45 3i3t s SER 368 CO -0.17 -1.05 1.93 0.50 0.98 0.00 0.00 173.24 175.42 3i3t h LYS 369 N 2.00 0.00 -0.54 4.02 1.63 -1.96 -0.31 116.57 121.40 3i3t h LYS 369 Ca -0.28 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.41 3i3t h LYS 369 Cb 1.22 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 3i3t h LYS 369 CO 0.37 0.26 -0.10 0.82 -3.45 0.00 0.00 179.45 177.34 3i3t h ILE 370 N 0.00 1.27 0.19 2.00 2.04 -1.95 -1.70 117.51 119.34 3i3t h ILE 370 Ca -0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3i3t h ILE 370 Cb 0.46 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3i3t h ILE 370 CO 0.03 0.44 -0.09 0.58 0.00 0.00 0.00 178.15 179.12 3i3t h VAL 371 N 0.91 0.87 -0.56 1.67 2.07 -1.82 -1.61 116.25 117.78 3i3t h VAL 371 Ca 0.14 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3i3t h VAL 371 Cb 0.66 1.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.35 3i3t h VAL 371 CO 0.05 0.06 -0.26 0.44 0.02 0.00 0.00 177.57 177.87 3i3t h ASP 372 N -0.37 -0.92 0.37 0.57 3.32 -0.93 -3.00 116.42 115.45 3i3t h ASP 372 Ca -0.03 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3i3t h ASP 372 Cb 0.29 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3i3t h ASP 372 CO 0.04 -0.27 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.04 3i3t h LEU 373 N -0.12 -0.42 -1.31 1.55 -0.00 -1.32 -3.39 115.31 110.29 3i3t h LEU 373 Ca 0.25 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 3i3t h LEU 373 Cb 0.52 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 3i3t h LEU 373 CO -0.63 0.02 -0.16 0.49 -0.00 0.00 0.00 178.44 178.16 3i3t n PHE 374 N -5.12 0.00 -4.45 1.13 3.01 -0.61 -0.78 117.46 110.65 3i3t n PHE 374 Ca -0.08 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.04 3i3t n PHE 374 Cb 0.25 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.61 3i3t n PHE 374 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3i3t s VAL 375 N -1.65 3.99 0.00 -4.37 1.01 -1.14 -4.13 120.40 114.11 3i3t s VAL 375 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3i3t s VAL 375 Cb 0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3i3t s VAL 375 CO 0.30 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3i3t n GLY 376 N 2.76 5.71 3.04 4.51 0.00 -0.02 -4.30 105.19 116.89 3i3t n GLY 376 Ca -0.18 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3i3t n GLY 376 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3t s GLN 377 N 0.56 0.20 0.34 1.61 0.74 -0.84 -1.24 119.66 121.02 3i3t s GLN 377 Ca 0.00 0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.86 3i3t s GLN 377 Cb 0.00 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 3i3t s GLN 377 CO 0.00 -0.10 0.48 -0.51 -0.55 0.00 0.00 175.29 174.60 3i3t s LEU 378 N 0.71 3.97 -0.03 3.68 1.43 0.19 -1.17 118.68 127.46 3i3t s LEU 378 Ca -0.05 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3i3t s LEU 378 Cb -0.06 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3i3t s LEU 378 CO -0.04 -0.44 -0.17 -0.75 0.23 0.00 0.00 176.35 175.19 3i3t s LYS 379 N -4.18 1.60 -0.07 1.70 2.20 -0.02 -2.28 119.74 118.68 3i3t s LYS 379 Ca 0.45 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3i3t s LYS 379 Cb -0.10 -1.44 0.02 0.00 -1.51 0.00 0.00 37.83 34.81 3i3t s LYS 379 CO 0.31 0.28 -0.04 -1.54 -0.36 0.00 0.00 175.35 174.00 3i3t s SER 380 N -0.12 1.56 -0.20 1.43 1.04 -0.68 -1.03 113.70 115.70 3i3t s SER 380 Ca 0.00 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.10 3i3t s SER 380 Cb -0.10 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 3i3t s SER 380 CO 0.01 -0.11 0.38 0.00 0.98 0.00 0.00 173.24 174.50 3i3t s LEU 382 N 1.19 4.38 -0.05 0.00 2.96 0.20 -2.25 118.68 125.10 3i3t s LEU 382 Ca 0.18 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 3i3t s LEU 382 Cb -0.14 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 3i3t s LEU 382 CO 0.07 0.21 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.61 3i3t s LYS 383 N -0.36 1.81 -0.05 1.98 1.02 1.00 0.45 119.74 125.58 3i3t s LYS 383 Ca 0.22 -0.58 -0.20 0.00 0.02 0.00 0.00 55.97 55.43 3i3t s LYS 383 Cb -0.15 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 3i3t s LYS 383 CO 0.10 0.20 0.56 0.00 -0.92 0.00 0.00 175.35 175.29 3i3t n GLN 385 N 3.18 1.45 -0.08 0.00 1.13 -0.93 -1.80 117.38 120.33 3i3t n GLN 385 Ca -0.06 -0.69 -0.17 0.00 -1.94 0.00 0.00 57.00 54.14 3i3t n GLN 385 Cb 0.51 -1.19 -0.06 0.00 0.11 0.00 0.00 30.24 29.61 3i3t n GLN 385 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3t n ALA 386 N 0.03 1.89 0.97 -1.58 0.00 -1.26 -4.80 120.51 115.76 3i3t n ALA 386 Ca 0.08 -0.66 0.10 0.00 0.00 0.00 0.00 53.44 52.96 3i3t n ALA 386 Cb 0.18 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 3i3t n ALA 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3t n GLY 388 N 1.47 0.46 3.70 0.00 0.00 -0.74 -5.00 105.19 105.07 3i3t n GLY 388 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i3t n GLY 388 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i3t n TYR 389 N -2.74 2.59 -3.50 1.61 9.36 -1.25 -4.67 117.16 118.55 3i3t n TYR 389 Ca 0.00 0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.86 3i3t n TYR 389 Cb 0.08 -2.65 -0.09 0.00 -0.63 0.00 0.00 39.34 36.05 3i3t n TYR 389 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3i3t s ARG 390 N 1.51 2.76 -0.33 2.98 0.52 -1.26 -1.56 118.95 123.57 3i3t s ARG 390 Ca 0.78 -1.45 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 3i3t s ARG 390 Cb -0.55 -3.95 -0.01 0.00 0.52 0.00 0.00 34.95 30.95 3i3t s ARG 390 CO 0.35 -1.02 0.37 0.45 0.02 0.00 0.00 175.30 175.48 3i3t s SER 391 N 2.42 6.20 -0.18 0.23 0.15 0.17 -4.94 113.70 117.75 3i3t s SER 391 Ca 0.04 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 3i3t s SER 391 Cb -0.24 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 3i3t s SER 391 CO 0.04 -0.33 -0.09 -0.89 1.20 0.00 0.00 173.24 173.17 3i3t s THR 392 N 2.05 3.15 0.12 6.45 2.01 -1.26 0.59 115.64 128.75 3i3t s THR 392 Ca 0.13 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.62 3i3t s THR 392 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3i3t s THR 392 CO 0.12 0.48 -0.22 0.28 -0.69 0.00 0.00 174.62 174.58 3i3t s THR 393 N 0.93 1.90 0.01 -0.82 -1.32 -0.22 -4.99 115.64 111.13 3i3t s THR 393 Ca -0.02 -1.66 0.08 0.00 -1.21 0.00 0.00 61.69 58.88 3i3t s THR 393 Cb -0.15 -1.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.09 3i3t s THR 393 CO -0.00 -0.05 -0.24 -0.36 -2.21 0.00 0.00 174.62 171.76 3i3t s PHE 394 N -1.24 2.11 -0.03 9.09 0.08 -1.26 -1.69 117.98 125.04 3i3t s PHE 394 Ca 0.10 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 3i3t s PHE 394 Cb -0.09 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3i3t s PHE 394 CO 0.05 0.03 0.13 -1.21 -0.10 0.00 0.00 175.22 174.12 3i3t s GLU 395 N -0.84 0.31 0.38 0.44 2.02 -0.97 -5.00 118.70 115.04 3i3t s GLU 395 Ca 0.09 -0.10 -0.19 0.00 0.02 0.00 0.00 54.97 54.80 3i3t s GLU 395 Cb -0.09 0.13 -0.10 0.00 0.10 0.00 0.00 34.13 34.17 3i3t s GLU 395 CO 0.00 -0.06 0.85 0.54 0.02 0.00 0.00 175.26 176.62 3i3t s VAL 396 N -0.62 4.51 0.04 2.63 0.11 -1.26 0.56 120.40 126.37 3i3t s VAL 396 Ca -0.07 1.26 -0.00 0.00 -2.93 0.00 0.00 61.98 60.24 3i3t s VAL 396 Cb -0.04 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3i3t s VAL 396 CO 0.01 -0.23 -0.04 0.72 -3.33 0.00 0.00 175.10 172.23 3i3t s PHE 397 N -2.06 0.46 -0.25 1.54 -0.12 -0.38 -4.82 117.98 112.35 3i3t s PHE 397 Ca 0.58 -0.79 0.03 0.00 -0.05 0.00 0.00 56.93 56.70 3i3t s PHE 397 Cb -0.10 -0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 41.97 3i3t s PHE 397 CO 0.15 -0.26 0.36 0.00 -0.05 0.00 0.00 175.22 175.43 3i3t s ASP 399 N -0.74 -0.38 -0.19 0.00 -4.77 -1.26 -4.58 116.67 104.75 3i3t s ASP 399 Ca 0.02 -0.06 -0.01 0.00 -3.30 0.00 0.00 52.55 49.20 3i3t s ASP 399 Cb 0.02 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.36 3i3t s ASP 399 CO 0.07 -0.82 -0.13 -0.22 0.70 0.00 0.00 175.17 174.77 3i3t s LEU 400 N -2.45 2.51 -0.42 2.11 2.96 -0.21 -5.02 118.68 118.16 3i3t s LEU 400 Ca -0.01 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.26 3i3t s LEU 400 Cb 0.00 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.13 3i3t s LEU 400 CO -0.08 0.02 0.31 -0.94 -1.32 0.00 0.00 176.35 174.34 3i3t s SER 401 N 1.21 6.02 -0.19 3.68 1.04 -1.26 0.23 113.70 124.44 3i3t s SER 401 Ca 0.02 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.30 3i3t s SER 401 Cb -0.14 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 3i3t s SER 401 CO -0.06 -0.50 0.07 -0.76 0.98 0.00 0.00 173.24 172.98 3i3t s LEU 402 N 1.63 3.86 0.67 2.42 1.43 0.28 -4.86 118.68 124.12 3i3t s LEU 402 Ca 0.04 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 3i3t s LEU 402 Cb -0.21 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3i3t s LEU 402 CO 0.08 0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.79 3i3t s PRO 403 N 0.40 2.70 -0.23 1.29 0.04 -1.26 0.34 135.00 138.28 3i3t s PRO 403 Ca 0.04 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 3i3t s PRO 403 Cb -0.12 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.49 3i3t s PRO 403 CO 0.00 -1.34 -0.06 0.42 0.04 0.00 0.00 177.00 176.07 3i3t s ILE 404 N -2.32 3.12 0.54 0.56 -1.09 -1.26 -4.62 121.20 116.12 3i3t s ILE 404 Ca 0.67 -0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 58.19 3i3t s ILE 404 Cb -0.21 -2.47 -0.06 0.00 -1.58 0.00 0.00 42.46 38.14 3i3t s ILE 404 CO 0.42 0.35 1.11 -2.84 -1.23 0.00 0.00 174.94 172.75 3i3t s PRO 405 N 1.42 3.42 0.05 2.79 0.02 -1.26 -4.97 135.00 136.47 3i3t s PRO 405 Ca 0.04 1.55 -0.24 0.00 0.02 0.00 0.00 61.00 62.37 3i3t s PRO 405 Cb -0.15 -2.02 -0.17 0.00 0.02 0.00 0.00 34.50 32.18 3i3t s PRO 405 CO -0.04 -0.78 1.57 1.57 -0.33 0.00 0.00 177.00 178.99 3i3t h LYS 406 N 1.22 -0.00 -5.72 5.54 2.10 -2.02 -3.46 116.57 114.23 3i3t h LYS 406 Ca -0.50 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.54 3i3t h LYS 406 Cb 1.25 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.45 3i3t h LYS 406 CO 0.57 0.18 -0.63 0.15 -2.00 0.00 0.00 179.45 177.72 3i3t s LYS 407 N -5.49 1.88 0.01 0.07 1.02 -1.26 -4.97 119.74 111.00 3i3t s LYS 407 Ca -0.14 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 53.82 3i3t s LYS 407 Cb 0.04 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3i3t s LYS 407 CO 0.67 0.01 0.01 0.41 -0.92 0.00 0.00 175.35 175.52 3i3t n GLY 408 N -0.88 0.84 3.45 -3.33 0.00 -0.90 -4.87 105.19 99.50 3i3t n GLY 408 Ca -0.05 -1.97 -0.52 0.00 0.00 0.00 0.00 46.02 43.48 3i3t n GLY 408 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i3t n PHE 409 N -1.37 1.60 -3.88 1.61 -1.74 -1.26 -3.54 117.46 108.89 3i3t n PHE 409 Ca 0.00 0.36 -0.32 0.00 -0.56 0.00 0.00 57.45 56.93 3i3t n PHE 409 Cb 0.00 -2.50 0.01 0.00 1.52 0.00 0.00 39.48 38.52 3i3t n PHE 409 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i3t n ALA 410 N 9.04 -2.74 -0.55 1.98 0.00 -1.26 -4.60 120.51 122.38 3i3t n ALA 410 Ca 0.41 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.53 3i3t n ALA 410 Cb 0.19 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3i3t n ALA 410 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3t n GLY 411 N -1.81 -2.97 1.19 0.00 0.00 -1.23 -5.04 105.19 95.34 3i3t n GLY 411 Ca -0.24 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.66 3i3t n GLY 411 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3t n GLY 412 N -2.76 -1.91 3.35 -0.02 0.00 -1.26 -4.52 105.19 98.07 3i3t n GLY 412 Ca -0.03 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3i3t n GLY 412 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i3t n LYS 413 N -3.73 0.17 -2.80 1.61 5.02 -1.26 -2.11 118.16 115.06 3i3t n LYS 413 Ca 0.00 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3i3t n LYS 413 Cb 0.54 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 3i3t n LYS 413 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i3t s VAL 414 N -1.58 4.86 0.38 -0.18 1.01 -1.26 -4.05 120.40 119.58 3i3t s VAL 414 Ca 0.61 1.84 0.08 0.00 0.00 0.00 0.00 61.98 64.51 3i3t s VAL 414 Cb -0.64 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.49 3i3t s VAL 414 CO 0.61 0.07 0.36 -0.94 0.00 0.00 0.00 175.10 175.19 3i3t s SER 415 N 1.06 5.23 0.60 3.32 1.04 -1.26 -1.46 113.70 122.23 3i3t s SER 415 Ca 0.44 -0.59 0.33 0.00 0.48 0.00 0.00 55.95 56.61 3i3t s SER 415 Cb -0.18 -0.77 1.92 0.00 0.10 0.00 0.00 66.02 67.09 3i3t s SER 415 CO 0.18 -0.52 2.26 0.25 0.98 0.00 0.00 173.24 176.39 3i3t h LEU 416 N 1.09 0.00 -0.11 2.42 5.85 -1.64 -1.06 115.31 121.86 3i3t h LEU 416 Ca -0.43 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.09 3i3t h LEU 416 Cb 1.26 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3i3t h LEU 416 CO 0.57 0.02 -0.94 -0.09 -0.34 0.00 0.00 178.44 177.65 3i3t h ARG 417 N 0.00 0.00 -0.12 1.25 2.43 -1.94 -2.71 114.38 113.30 3i3t h ARG 417 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3i3t h ARG 417 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3i3t h ARG 417 CO 0.00 0.94 -0.44 -0.44 -1.51 0.00 0.00 179.97 178.52 3i3t h ASP 418 N 0.00 0.29 -0.35 -3.80 3.32 -1.58 -1.10 116.42 113.19 3i3t h ASP 418 Ca -0.01 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3i3t h ASP 418 Cb 1.67 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.12 3i3t h ASP 418 CO 0.12 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 178.35 3i3t h PHE 420 N 0.67 0.61 -0.51 0.00 0.04 -1.15 -2.41 116.94 114.20 3i3t h PHE 420 Ca 0.14 -0.26 0.05 0.00 2.80 0.00 0.00 57.97 60.69 3i3t h PHE 420 Cb 0.40 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 3i3t h PHE 420 CO 0.02 1.02 0.25 -0.91 -0.60 0.00 0.00 178.31 178.09 3i3t h ASN 421 N 0.32 0.35 0.35 2.17 2.35 -1.00 -2.32 115.58 117.79 3i3t h ASN 421 Ca -0.03 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3i3t h ASN 421 Cb 1.28 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3i3t h ASN 421 CO 0.13 0.24 -0.47 0.25 -1.65 0.00 0.00 177.43 175.92 3i3t h LEU 422 N 0.48 0.17 -1.68 1.61 5.85 -1.38 0.20 115.31 120.56 3i3t h LEU 422 Ca 0.23 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3i3t h LEU 422 Cb 0.15 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3i3t h LEU 422 CO -0.17 0.62 -0.16 0.15 -0.34 0.00 0.00 178.44 178.54 3i3t h PHE 423 N 0.13 0.00 0.00 1.25 3.57 -0.91 -3.27 116.94 117.70 3i3t h PHE 423 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i3t h PHE 423 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3i3t h PHE 423 CO 0.01 0.16 -0.40 2.41 -2.23 0.00 0.00 178.31 178.27 3i3t n THR 424 N -3.62 0.00 -1.71 4.41 -1.04 -0.71 -4.42 114.28 107.19 3i3t n THR 424 Ca -0.01 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 3i3t n THR 424 Cb 0.29 0.90 -0.01 0.00 -1.82 0.00 0.00 70.33 69.70 3i3t n THR 424 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i3t n LYS 425 N -1.21 2.21 -1.97 -2.82 4.81 -0.02 -4.39 118.16 114.77 3i3t n LYS 425 Ca 0.01 0.77 -0.43 0.00 -0.87 0.00 0.00 58.31 57.80 3i3t n LYS 425 Cb 0.09 -2.38 -0.03 0.00 0.02 0.00 0.00 35.03 32.73 3i3t n LYS 425 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i3t s GLU 426 N -1.86 3.83 0.05 1.64 8.01 -1.26 -4.51 118.70 124.60 3i3t s GLU 426 Ca 0.55 1.94 0.02 0.00 0.01 0.00 0.00 54.97 57.50 3i3t s GLU 426 Cb -0.56 -4.09 -0.04 0.00 -4.31 0.00 0.00 34.13 25.14 3i3t s GLU 426 CO 0.62 -1.27 0.05 -1.21 0.01 0.00 0.00 175.26 173.46 3i3t s GLU 427 N 4.74 2.83 -0.21 1.61 2.02 -0.57 -4.92 118.70 124.20 3i3t s GLU 427 Ca 0.78 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 3i3t s GLU 427 Cb -0.30 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3i3t s GLU 427 CO 0.32 0.59 1.07 -1.21 0.02 0.00 0.00 175.26 176.05 3i3t s GLU 428 N -2.04 4.27 -0.34 1.61 2.02 -1.26 -1.74 118.70 121.21 3i3t s GLU 428 Ca 0.25 1.41 -0.13 0.00 0.02 0.00 0.00 54.97 56.52 3i3t s GLU 428 Cb -0.12 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 3i3t s GLU 428 CO 0.17 -0.62 0.23 -0.51 0.02 0.00 0.00 175.26 174.55 3i3t s LEU 429 N 3.17 4.53 0.11 1.80 1.43 0.50 -4.98 118.68 125.25 3i3t s LEU 429 Ca 0.46 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3i3t s LEU 429 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3i3t s LEU 429 CO 0.08 -0.25 0.08 -1.83 0.23 0.00 0.00 176.35 174.65 3i3t s GLU 430 N 1.70 0.87 5.89 1.70 -1.05 -1.26 -1.68 118.70 124.87 3i3t s GLU 430 Ca 0.06 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.57 3i3t s GLU 430 Cb -0.18 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 3i3t s GLU 430 CO 0.10 -0.25 0.00 -1.13 0.95 0.00 0.00 175.26 174.93 3i3t n SER 431 N -0.06 0.00 0.11 0.83 3.41 -1.26 -2.28 113.62 114.37 3i3t n SER 431 Ca -0.09 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.61 3i3t n SER 431 Cb 0.63 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 65.01 3i3t n SER 431 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3i3t n GLU 432 N 14.00 0.11 0.00 4.33 -0.00 -1.26 -0.86 120.64 136.97 3i3t n GLU 432 Ca 0.00 0.54 0.12 0.00 -0.00 0.00 0.00 57.16 57.83 3i3t n GLU 432 Cb 0.00 -1.82 0.23 0.00 -0.00 0.00 0.00 31.44 29.85 3i3t n GLU 432 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i3t n ASN 433 N -2.05 2.04 -4.70 -1.84 3.02 -0.97 -4.93 115.26 105.84 3i3t n ASN 433 Ca -0.00 -1.56 -0.42 0.00 -0.03 0.00 0.00 54.58 52.56 3i3t n ASN 433 Cb 0.08 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3i3t n ASN 433 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i3t s ALA 434 N -2.20 3.69 0.54 5.41 0.00 -0.04 -4.28 121.76 124.88 3i3t s ALA 434 Ca 0.28 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 3i3t s ALA 434 Cb 0.20 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 3i3t s ALA 434 CO 0.41 -0.88 1.00 -1.25 0.00 0.00 0.00 175.76 175.04 3i3t s PRO 435 N 1.83 3.82 -0.29 0.00 0.04 -1.26 -4.90 135.00 134.24 3i3t s PRO 435 Ca 0.70 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3i3t s PRO 435 Cb -0.40 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3i3t s PRO 435 CO 0.31 -0.38 1.16 0.14 0.04 0.00 0.00 177.00 178.27 3i3t s VAL 436 N -2.73 4.40 0.51 -0.36 -7.23 -1.26 -4.45 120.40 109.27 3i3t s VAL 436 Ca 0.58 1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 62.16 3i3t s VAL 436 Cb -0.11 -4.28 -0.07 0.00 0.56 0.00 0.00 36.38 32.48 3i3t s VAL 436 CO 0.37 -0.40 1.17 0.00 -0.31 0.00 0.00 175.10 175.92 3i3t h ASP 438 N 1.33 0.00 0.00 0.00 3.32 -1.94 -1.95 116.42 117.18 3i3t h ASP 438 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3i3t h ASP 438 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3i3t h ASP 438 CO 0.56 0.83 0.00 0.54 -1.72 0.00 0.00 179.24 179.45 3i3t n ARG 439 N -3.31 0.00 0.14 3.56 1.74 -1.26 -4.46 116.66 113.07 3i3t n ARG 439 Ca 0.01 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.60 3i3t n ARG 439 Cb 0.87 -0.92 0.45 0.00 -1.02 0.00 0.00 32.46 31.84 3i3t n ARG 439 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3t n ARG 441 N -2.39 -4.12 -4.36 0.00 1.74 -0.73 -5.00 116.66 101.79 3i3t n ARG 441 Ca 0.03 0.80 -0.21 0.00 -0.77 0.00 0.00 57.85 57.71 3i3t n ARG 441 Cb 0.34 -5.60 -0.11 0.00 -1.02 0.00 0.00 32.46 26.08 3i3t n ARG 441 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i3t s GLN 442 N -5.68 1.37 -1.17 5.56 0.74 -1.26 -4.85 119.66 114.37 3i3t s GLN 442 Ca 0.28 -1.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.09 3i3t s GLN 442 Cb -0.13 -1.34 0.12 0.00 1.10 0.00 0.00 33.01 32.76 3i3t s GLN 442 CO 0.35 0.25 2.42 1.63 -0.55 0.00 0.00 175.29 179.39 3i3t n LYS 443 N -0.14 4.30 -2.63 1.67 5.02 -1.26 -2.46 118.16 122.66 3i3t n LYS 443 Ca -0.10 -3.34 -0.22 0.00 -2.02 0.00 0.00 58.31 52.64 3i3t n LYS 443 Cb 0.59 -2.55 0.10 0.00 -0.02 0.00 0.00 35.03 33.15 3i3t n LYS 443 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3i3t n THR 444 N 1.51 0.00 -1.53 -0.18 5.66 -1.26 -4.83 114.28 113.65 3i3t n THR 444 Ca 0.60 -1.63 -0.38 0.00 -3.05 0.00 0.00 64.05 59.59 3i3t n THR 444 Cb 0.29 -0.80 0.05 0.00 -1.55 0.00 0.00 70.33 68.32 3i3t n THR 444 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i3t n ARG 445 N -2.66 0.65 -4.01 1.09 1.74 -1.26 -4.63 116.66 107.58 3i3t n ARG 445 Ca 0.16 0.26 -0.09 0.00 -0.77 0.00 0.00 57.85 57.41 3i3t n ARG 445 Cb 0.58 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 3i3t n ARG 445 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3i3t s SER 446 N -1.24 0.21 -0.05 0.55 0.01 -0.68 -2.19 113.70 110.31 3i3t s SER 446 Ca 0.72 -0.94 0.04 0.00 1.31 0.00 0.00 55.95 57.09 3i3t s SER 446 Cb -0.43 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 3i3t s SER 446 CO 0.51 -0.76 -0.19 -0.89 0.41 0.00 0.00 173.24 172.31 3i3t s THR 447 N -3.96 1.62 -0.07 1.44 2.01 0.38 -0.37 115.64 116.69 3i3t s THR 447 Ca 0.15 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.37 3i3t s THR 447 Cb 0.06 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3i3t s THR 447 CO -0.04 0.46 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.46 3i3t s LYS 448 N 0.09 1.90 -0.06 4.92 2.20 -0.71 -0.00 119.74 128.08 3i3t s LYS 448 Ca -0.07 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 3i3t s LYS 448 Cb -0.13 -1.55 0.02 0.00 -1.51 0.00 0.00 37.83 34.66 3i3t s LYS 448 CO 0.03 0.09 0.15 0.21 -0.36 0.00 0.00 175.35 175.47 3i3t s LYS 449 N 0.51 0.15 -0.14 4.03 2.20 -0.96 -1.51 119.74 124.03 3i3t s LYS 449 Ca -0.13 0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.66 3i3t s LYS 449 Cb -0.15 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3i3t s LYS 449 CO 0.04 -0.06 0.10 -0.51 -0.36 0.00 0.00 175.35 174.56 3i3t s LEU 450 N 0.37 4.09 0.07 5.43 1.02 -1.25 -2.41 118.68 126.00 3i3t s LEU 450 Ca -0.02 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.42 3i3t s LEU 450 Cb -0.04 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 3i3t s LEU 450 CO -0.02 0.32 -0.05 0.42 0.02 0.00 0.00 176.35 177.04 3i3t s THR 451 N -0.47 0.46 -0.39 5.49 -4.23 -0.20 -4.51 115.64 111.79 3i3t s THR 451 Ca 0.11 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 3i3t s THR 451 Cb -0.12 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.38 3i3t s THR 451 CO 0.02 -0.82 0.81 -0.69 -0.54 0.00 0.00 174.62 173.40 3i3t s VAL 452 N -3.23 4.68 0.05 2.29 1.01 0.12 -0.84 120.40 124.49 3i3t s VAL 452 Ca 0.05 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 3i3t s VAL 452 Cb 0.03 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.90 3i3t s VAL 452 CO -0.05 -0.53 1.14 -0.61 0.00 0.00 0.00 175.10 175.04 3i3t h GLN 453 N 8.63 0.62 -3.60 2.72 5.75 -1.43 -2.48 115.11 125.31 3i3t h GLN 453 Ca -0.25 -0.71 -0.32 0.00 -0.15 0.00 0.00 58.65 57.22 3i3t h GLN 453 Cb 1.09 0.21 -0.34 0.00 1.07 0.00 0.00 27.48 29.51 3i3t h GLN 453 CO 0.94 1.30 -0.74 1.03 -2.65 0.00 0.00 178.83 178.71 3i3t s ARG 454 N -3.18 0.11 -0.15 1.69 0.52 -0.79 -4.73 118.95 112.42 3i3t s ARG 454 Ca -0.11 0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.15 3i3t s ARG 454 Cb 0.06 -0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.11 3i3t s ARG 454 CO 0.90 -0.16 0.18 -0.06 0.02 0.00 0.00 175.30 176.18 3i3t s PHE 455 N 1.11 3.51 0.89 -0.53 0.40 -1.26 -1.98 117.98 120.13 3i3t s PHE 455 Ca -0.09 0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 56.60 3i3t s PHE 455 Cb -0.13 -2.12 0.14 0.00 0.51 0.00 0.00 43.02 41.42 3i3t s PHE 455 CO -0.02 0.48 1.22 -1.25 0.70 0.00 0.00 175.22 176.34 3i3t s PRO 456 N -0.25 1.26 -0.06 0.24 0.04 -1.26 -4.89 135.00 130.08 3i3t s PRO 456 Ca 0.13 -0.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.86 3i3t s PRO 456 Cb -0.12 -1.88 -0.22 0.00 0.04 0.00 0.00 34.50 32.32 3i3t s PRO 456 CO 0.02 -2.06 1.11 0.00 0.04 0.00 0.00 177.00 176.12 3i3t h ARG 457 N -1.39 -0.00 -4.65 4.56 3.08 -1.50 -3.41 114.38 111.07 3i3t h ARG 457 Ca -0.46 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.89 3i3t h ARG 457 Cb 1.30 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.10 3i3t h ARG 457 CO 0.55 0.64 -0.54 0.42 -1.07 0.00 0.00 179.97 179.97 3i3t s ILE 458 N -3.63 4.47 -0.21 2.04 -1.09 0.04 -1.17 121.20 121.66 3i3t s ILE 458 Ca -0.17 -0.78 -0.23 0.00 -2.23 0.00 0.00 60.65 57.24 3i3t s ILE 458 Cb 0.00 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 3i3t s ILE 458 CO 0.68 -0.15 0.74 -0.22 -1.23 0.00 0.00 174.94 174.76 3i3t s LEU 459 N 1.55 4.12 -0.22 2.97 0.20 0.50 -4.29 118.68 123.51 3i3t s LEU 459 Ca 0.02 0.96 -0.05 0.00 0.69 0.00 0.00 54.13 55.76 3i3t s LEU 459 Cb -0.19 -3.06 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 3i3t s LEU 459 CO 0.06 -0.39 0.00 -0.69 -0.29 0.00 0.00 176.35 175.03 3i3t s VAL 460 N 2.35 3.79 -0.11 1.68 1.01 -1.26 -0.56 120.40 127.31 3i3t s VAL 460 Ca 0.33 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3i3t s VAL 460 Cb -0.16 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3i3t s VAL 460 CO 0.10 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 3i3t s LEU 461 N 1.38 2.26 -0.25 3.92 1.43 -0.54 -1.04 118.68 125.84 3i3t s LEU 461 Ca 0.05 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3i3t s LEU 461 Cb -0.15 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3i3t s LEU 461 CO 0.00 0.17 -0.07 -2.28 0.23 0.00 0.00 176.35 174.40 3i3t s HIS 462 N 0.32 3.06 -0.32 0.29 5.65 0.14 -0.41 115.29 124.03 3i3t s HIS 462 Ca -0.16 -1.61 -0.29 0.00 0.25 0.00 0.00 55.06 53.24 3i3t s HIS 462 Cb -0.17 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.20 3i3t s HIS 462 CO 0.08 -0.74 1.17 -0.51 -0.65 0.00 0.00 174.74 174.09 3i3t s LEU 463 N 1.31 3.90 -1.30 8.88 1.43 0.31 0.10 118.68 133.30 3i3t s LEU 463 Ca -0.00 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 3i3t s LEU 463 Cb -0.17 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.62 3i3t s LEU 463 CO -0.05 -0.98 1.77 -3.20 0.23 0.00 0.00 176.35 174.12 3i3t n ASN 464 N 7.22 4.84 -3.50 2.29 4.05 0.15 -4.82 115.26 125.49 3i3t n ASN 464 Ca 0.13 -2.95 -0.40 0.00 0.45 0.00 0.00 54.58 51.81 3i3t n ASN 464 Cb 0.47 -1.64 -0.01 0.00 1.23 0.00 0.00 39.78 39.83 3i3t n ASN 464 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3i3t n ARG 465 N 6.49 3.97 -4.06 1.20 1.74 -1.26 -4.51 116.66 120.23 3i3t n ARG 465 Ca 0.45 -2.95 -0.15 0.00 -0.77 0.00 0.00 57.85 54.43 3i3t n ARG 465 Cb 0.42 -2.80 -0.15 0.00 -1.02 0.00 0.00 32.46 28.92 3i3t n ARG 465 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i3t s PHE 466 N 0.66 0.33 -0.06 -1.55 0.08 -1.26 -2.30 117.98 113.88 3i3t s PHE 466 Ca 0.57 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.61 3i3t s PHE 466 Cb 0.17 -0.24 -0.01 0.00 -0.57 0.00 0.00 43.02 42.37 3i3t s PHE 466 CO -0.07 -0.02 -0.22 -1.54 -0.10 0.00 0.00 175.22 173.27 3i3t s SER 467 N 0.07 2.72 0.55 1.36 1.04 -0.25 -4.79 113.70 114.39 3i3t s SER 467 Ca -0.00 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.04 3i3t s SER 467 Cb -0.03 -0.84 0.05 0.00 0.10 0.00 0.00 66.02 65.30 3i3t s SER 467 CO -0.00 0.19 0.52 0.00 0.98 0.00 0.00 173.24 174.93 3i3t s ALA 468 N 0.01 4.50 -0.05 5.32 0.00 -1.26 -1.60 121.76 128.67 3i3t s ALA 468 Ca -0.06 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 3i3t s ALA 468 Cb -0.14 -0.95 0.11 0.00 0.00 0.00 0.00 23.12 22.14 3i3t s ALA 468 CO 0.04 -0.56 1.34 0.45 0.00 0.00 0.00 175.76 177.03 3i3t s SER 469 N -4.39 -0.00 0.00 0.00 0.15 -1.11 -4.95 113.70 103.39 3i3t s SER 469 Ca 0.43 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3i3t s SER 469 Cb -0.03 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3i3t s SER 469 CO 0.27 -0.16 0.64 0.54 1.20 0.00 0.00 173.24 175.72 3i3t n ARG 470 N -0.82 0.00 -0.40 5.44 3.00 -1.26 -4.14 116.66 118.48 3i3t n ARG 470 Ca 0.01 0.37 -0.11 0.00 -0.01 0.00 0.00 57.85 58.11 3i3t n ARG 470 Cb 0.60 -1.24 -0.10 0.00 0.00 0.00 0.00 32.46 31.72 3i3t n ARG 470 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3i3t h GLY 471 N 0.00 -0.90 -1.71 -0.13 0.00 -2.04 -3.47 103.07 94.82 3i3t h GLY 471 Ca 0.00 0.81 -0.11 0.00 0.00 0.00 0.00 47.33 48.03 3i3t h GLY 471 CO 0.00 0.02 -0.00 -1.35 0.00 0.00 0.00 176.54 175.21 3i3t s SER 472 N -5.42 0.26 -0.08 0.19 1.04 -1.26 -5.16 113.70 103.26 3i3t s SER 472 Ca -0.12 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.18 3i3t s SER 472 Cb 0.11 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 3i3t s SER 472 CO 0.60 -1.37 -0.14 -0.63 0.98 0.00 0.00 173.24 172.69 3i3t s ILE 473 N -3.20 3.04 0.13 -1.02 1.09 -1.26 -2.76 121.20 117.23 3i3t s ILE 473 Ca 0.22 -0.70 0.06 0.00 -1.10 0.00 0.00 60.65 59.13 3i3t s ILE 473 Cb -0.02 -2.23 -0.04 0.00 -1.06 0.00 0.00 42.46 39.11 3i3t s ILE 473 CO 0.13 0.56 -0.14 -0.54 -0.10 0.00 0.00 174.94 174.86 3i3t s LYS 474 N -0.25 1.06 0.16 2.79 -0.14 -0.63 -4.95 119.74 117.79 3i3t s LYS 474 Ca 0.01 -1.30 -0.31 0.00 -1.36 0.00 0.00 55.97 53.01 3i3t s LYS 474 Cb -0.13 -0.90 -0.09 0.00 -1.68 0.00 0.00 37.83 35.03 3i3t s LYS 474 CO 0.03 0.17 1.41 0.21 -0.76 0.00 0.00 175.35 176.40 3i3t s LYS 475 N -2.90 4.31 -0.05 1.68 2.20 -1.26 -1.09 119.74 122.63 3i3t s LYS 475 Ca 0.11 2.15 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 3i3t s LYS 475 Cb -0.04 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3i3t s LYS 475 CO 0.03 -0.42 1.21 -1.12 -0.36 0.00 0.00 175.35 174.69 3i3t s SER 476 N 0.84 7.04 0.00 1.43 0.01 -0.97 -4.82 113.70 117.23 3i3t s SER 476 Ca 0.63 1.84 0.23 0.00 1.31 0.00 0.00 55.95 59.96 3i3t s SER 476 Cb -0.39 -2.56 0.47 0.00 0.21 0.00 0.00 66.02 63.75 3i3t s SER 476 CO 0.34 -0.59 1.43 -1.20 0.41 0.00 0.00 173.24 173.63 3i3t n SER 477 N 5.15 3.58 -3.69 2.44 7.64 -1.26 -4.84 113.62 122.64 3i3t n SER 477 Ca 0.11 -2.00 -0.52 0.00 1.01 0.00 0.00 58.87 57.47 3i3t n SER 477 Cb 0.46 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 3i3t n SER 477 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i3t n VAL 478 N 1.53 0.00 -1.83 0.44 0.31 -1.26 -4.83 118.33 112.69 3i3t n VAL 478 Ca 0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.12 3i3t n VAL 478 Cb 0.61 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 33.10 3i3t n VAL 478 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i3t s GLY 479 N 5.18 2.71 -0.08 2.92 0.00 -1.26 -5.01 107.32 111.78 3i3t s GLY 479 Ca 1.04 1.54 0.01 0.00 0.00 0.00 0.00 44.72 47.32 3i3t s GLY 479 CO 0.57 2.31 -0.11 0.14 0.00 0.00 0.00 173.10 176.02 3i3t s VAL 480 N -0.80 1.07 -0.48 1.40 1.01 -1.26 -4.46 120.40 116.88 3i3t s VAL 480 Ca 0.55 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 3i3t s VAL 480 Cb -0.46 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 34.95 3i3t s VAL 480 CO 0.58 0.35 0.68 -0.62 0.00 0.00 0.00 175.10 176.09 3i3t s ASP 481 N 0.96 6.28 -0.05 3.32 3.68 -0.53 -4.87 116.67 125.46 3i3t s ASP 481 Ca -0.09 -0.60 0.07 0.00 2.13 0.00 0.00 52.55 54.06 3i3t s ASP 481 Cb -0.15 -2.32 -0.01 0.00 -1.45 0.00 0.00 42.92 38.99 3i3t s ASP 481 CO 0.00 -0.89 -0.25 0.72 0.13 0.00 0.00 175.17 174.88 3i3t s PHE 482 N 2.90 2.34 0.25 -5.34 -0.12 -1.26 -1.63 117.98 115.13 3i3t s PHE 482 Ca 0.20 -0.62 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 3i3t s PHE 482 Cb -0.16 -1.53 -0.10 0.00 -0.63 0.00 0.00 43.02 40.60 3i3t s PHE 482 CO 0.16 -0.16 1.39 -2.14 -0.05 0.00 0.00 175.22 174.41 3i3t s PRO 483 N -0.28 4.31 0.07 1.99 0.02 -1.26 -4.95 135.00 134.90 3i3t s PRO 483 Ca 0.00 2.23 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3i3t s PRO 483 Cb -0.12 -3.12 -0.29 0.00 0.02 0.00 0.00 34.50 30.99 3i3t s PRO 483 CO 0.02 -0.34 1.11 -0.07 -0.33 0.00 0.00 177.00 177.39 3i3t h LEU 484 N 4.78 0.46 0.00 -5.54 4.07 -1.96 -3.42 115.31 113.70 3i3t h LEU 484 Ca -0.46 -0.50 -0.09 0.00 0.08 0.00 0.00 57.88 56.90 3i3t h LEU 484 Cb 1.22 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3i3t h LEU 484 CO 0.75 1.40 -1.33 0.00 -1.08 0.00 0.00 178.44 178.18 3i3t n GLN 485 N -3.55 0.14 -3.92 1.13 1.13 -1.26 -1.22 117.38 109.83 3i3t n GLN 485 Ca -0.10 0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.71 3i3t n GLN 485 Cb 1.03 -0.94 -0.14 0.00 0.11 0.00 0.00 30.24 30.30 3i3t n GLN 485 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3i3t s ARG 486 N -2.11 1.96 -0.09 -1.09 3.52 -1.26 -4.16 118.95 115.72 3i3t s ARG 486 Ca -0.08 -2.65 -0.13 0.00 -0.13 0.00 0.00 55.73 52.75 3i3t s ARG 486 Cb 0.03 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 3i3t s ARG 486 CO 0.12 -1.13 0.30 -1.17 -0.81 0.00 0.00 175.30 172.61 3i3t s LEU 487 N -0.36 4.36 -0.21 -0.88 2.96 -0.17 -4.82 118.68 119.55 3i3t s LEU 487 Ca 0.18 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 3i3t s LEU 487 Cb -0.23 -2.38 0.07 0.00 0.50 0.00 0.00 46.19 44.15 3i3t s LEU 487 CO -0.02 0.25 0.10 -0.55 -1.32 0.00 0.00 176.35 174.81 3i3t s SER 488 N -0.43 2.76 -0.25 3.68 0.15 -1.26 0.12 113.70 118.47 3i3t s SER 488 Ca 0.19 -0.85 0.09 0.00 0.70 0.00 0.00 55.95 56.08 3i3t s SER 488 Cb -0.14 -0.29 0.44 0.00 -1.71 0.00 0.00 66.02 64.32 3i3t s SER 488 CO 0.07 -0.38 1.21 0.00 1.20 0.00 0.00 173.24 175.34 3i3t n LEU 489 N 5.26 3.75 -0.14 3.45 -0.00 -0.98 -4.71 117.00 123.64 3i3t n LEU 489 Ca -0.07 -4.30 0.05 0.00 -0.00 0.00 0.00 56.01 51.70 3i3t n LEU 489 Cb 0.47 -0.44 0.37 0.00 -0.00 0.00 0.00 43.42 43.81 3i3t n LEU 489 CO 0.08 1.73 1.21 1.23 -0.00 0.00 0.00 177.39 181.64 3i3t h GLY 490 N 1.54 0.85 2.00 1.47 0.00 -1.88 -1.81 103.07 105.25 3i3t h GLY 490 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3i3t h GLY 490 CO 0.36 0.24 0.00 1.22 0.00 0.00 0.00 176.54 178.35 3i3t n ASP 491 N -4.47 0.05 -0.36 0.19 9.92 -1.26 -1.81 116.55 118.80 3i3t n ASP 491 Ca 0.08 0.52 0.04 0.00 -0.53 0.00 0.00 54.79 54.90 3i3t n ASP 491 Cb 0.17 -0.53 0.07 0.00 -0.64 0.00 0.00 41.12 40.19 3i3t n ASP 491 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i3t n PHE 492 N -1.56 0.15 -2.94 1.24 3.72 -0.68 -5.03 117.46 112.35 3i3t n PHE 492 Ca -0.00 -0.24 -0.19 0.00 -0.05 0.00 0.00 57.45 56.96 3i3t n PHE 492 Cb 0.00 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.57 3i3t n PHE 492 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3t s ALA 493 N -0.81 4.46 -0.24 4.37 0.00 -0.75 -0.70 121.76 128.10 3i3t s ALA 493 Ca 0.12 -1.85 0.13 0.00 0.00 0.00 0.00 51.96 50.35 3i3t s ALA 493 Cb 0.07 -1.64 0.46 0.00 0.00 0.00 0.00 23.12 22.01 3i3t s ALA 493 CO 0.10 -0.71 1.18 -1.13 0.00 0.00 0.00 175.76 175.21 3i3t n SER 494 N -2.17 3.18 -3.74 0.00 3.41 -0.93 -4.76 113.62 108.60 3i3t n SER 494 Ca 0.12 -3.32 -0.30 0.00 -0.26 0.00 0.00 58.87 55.12 3i3t n SER 494 Cb 0.60 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 3i3t n SER 494 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i3t s SER 499 N -3.40 3.79 0.37 4.04 1.04 -1.26 -5.11 113.70 113.17 3i3t s SER 499 Ca 0.42 -2.44 -0.25 0.00 0.48 0.00 0.00 55.95 54.16 3i3t s SER 499 Cb 0.38 -1.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.36 3i3t s SER 499 CO -0.02 -0.30 1.06 -2.16 0.98 0.00 0.00 173.24 172.80 3i3t s PRO 500 N 0.59 4.30 -0.06 4.02 0.04 -1.26 -4.82 135.00 137.80 3i3t s PRO 500 Ca 0.16 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.84 3i3t s PRO 500 Cb -0.23 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3i3t s PRO 500 CO -0.04 -0.04 -0.23 0.08 0.04 0.00 0.00 177.00 176.81 3i3t s VAL 501 N -1.52 1.90 0.23 -0.36 1.01 -1.26 -2.32 120.40 118.07 3i3t s VAL 501 Ca 0.54 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.66 3i3t s VAL 501 Cb -0.25 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3i3t s VAL 501 CO 0.31 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.48 3i3t s TYR 502 N 0.03 2.45 -0.02 5.22 2.02 0.32 -0.27 117.35 127.09 3i3t s TYR 502 Ca -0.08 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3i3t s TYR 502 Cb -0.14 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 3i3t s TYR 502 CO 0.05 0.59 -0.04 -1.14 -1.57 0.00 0.00 175.55 173.44 3i3t s GLN 503 N -3.15 0.55 0.25 -0.62 0.74 -0.87 -1.00 119.66 115.57 3i3t s GLN 503 Ca 0.26 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.27 3i3t s GLN 503 Cb -0.07 -0.58 -0.09 0.00 1.10 0.00 0.00 33.01 33.37 3i3t s GLN 503 CO 0.15 -0.00 0.98 -1.17 -0.55 0.00 0.00 175.29 174.69 3i3t s LEU 504 N 0.48 4.62 0.00 3.68 2.96 -0.36 -1.40 118.68 128.66 3i3t s LEU 504 Ca -0.05 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 3i3t s LEU 504 Cb -0.09 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3i3t s LEU 504 CO -0.00 0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.11 3i3t n TYR 505 N 1.40 0.00 -3.60 5.38 4.11 -0.85 -4.88 117.16 118.72 3i3t n TYR 505 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.73 3i3t n TYR 505 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 3i3t n TYR 505 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3i3t s ALA 506 N -0.57 -1.74 0.13 -3.48 0.00 -1.19 -0.18 121.76 114.72 3i3t s ALA 506 Ca 0.00 1.76 0.06 0.00 0.00 0.00 0.00 51.96 53.78 3i3t s ALA 506 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3i3t s ALA 506 CO 0.00 -0.34 -0.15 -0.51 0.00 0.00 0.00 175.76 174.76 3i3t s LEU 507 N -0.14 2.41 -0.16 0.00 1.02 -0.45 -0.11 118.68 121.24 3i3t s LEU 507 Ca -0.04 -0.82 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 3i3t s LEU 507 Cb -0.03 -0.61 -0.03 0.00 0.02 0.00 0.00 46.19 45.54 3i3t s LEU 507 CO 0.04 -0.12 -0.02 0.00 0.02 0.00 0.00 176.35 176.27 3i3t s ASN 509 N 0.29 3.90 -0.02 0.00 3.84 0.47 -0.38 114.94 123.03 3i3t s ASN 509 Ca -0.02 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 52.71 3i3t s ASN 509 Cb -0.14 -0.67 -0.01 0.00 -0.55 0.00 0.00 41.25 39.89 3i3t s ASN 509 CO 0.02 0.26 -0.16 -2.28 -2.79 0.00 0.00 177.10 172.15 3i3t s HIS 510 N -0.93 1.48 -0.21 0.43 5.65 -1.26 -1.64 115.29 118.81 3i3t s HIS 510 Ca 0.15 -0.32 -0.00 0.00 0.25 0.00 0.00 55.06 55.14 3i3t s HIS 510 Cb -0.11 -0.97 0.05 0.00 -1.18 0.00 0.00 32.58 30.38 3i3t s HIS 510 CO 0.06 -0.06 -0.05 0.45 -0.65 0.00 0.00 174.74 174.49 3i3t s SER 511 N -0.26 3.41 0.00 9.88 0.15 -0.53 -4.87 113.70 121.48 3i3t s SER 511 Ca 0.04 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.72 3i3t s SER 511 Cb -0.08 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 3i3t s SER 511 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3i3t n GLY 512 N 4.78 -0.40 0.00 9.45 0.00 -1.26 -0.11 105.19 117.65 3i3t n GLY 512 Ca -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3i3t n GLY 512 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i3t n SER 513 N 0.00 0.69 -0.21 1.61 3.41 0.93 -4.97 113.62 115.09 3i3t n SER 513 Ca 0.00 -0.91 0.06 0.00 -0.26 0.00 0.00 58.87 57.76 3i3t n SER 513 Cb 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 3i3t n SER 513 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3i3t h VAL 514 N 0.91 1.04 0.00 -3.33 2.07 -1.93 -2.95 116.25 112.06 3i3t h VAL 514 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3i3t h VAL 514 Cb 0.00 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3i3t h VAL 514 CO 0.00 0.15 -1.35 1.41 0.02 0.00 0.00 177.57 177.80 3i3t n HIS 515 N -4.48 0.30 -3.70 1.57 8.25 -1.26 -4.96 115.22 110.94 3i3t n HIS 515 Ca 0.11 0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3i3t n HIS 515 Cb 0.21 -0.53 -0.06 0.00 1.12 0.00 0.00 29.99 30.73 3i3t n HIS 515 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3i3t s TYR 516 N -3.32 -0.17 -2.42 4.41 -0.85 -1.11 -4.99 117.35 108.89 3i3t s TYR 516 Ca -0.01 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 3i3t s TYR 516 Cb 0.13 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.64 3i3t s TYR 516 CO 0.84 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.72 3i3t n GLY 517 N 0.38 -0.56 2.91 5.49 0.00 -1.26 -0.05 105.19 112.11 3i3t n GLY 517 Ca -0.18 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 3i3t n GLY 517 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3t s HIS 518 N -3.25 0.51 -0.09 1.61 2.46 0.84 -4.95 115.29 112.43 3i3t s HIS 518 Ca 0.00 -0.10 -0.05 0.00 0.47 0.00 0.00 55.06 55.38 3i3t s HIS 518 Cb 0.00 -0.42 -0.04 0.00 -0.13 0.00 0.00 32.58 32.00 3i3t s HIS 518 CO 0.00 -0.08 0.14 0.71 -2.47 0.00 0.00 174.74 173.04 3i3t s TYR 519 N 0.37 3.54 0.18 3.88 2.02 -1.26 -1.46 117.35 124.62 3i3t s TYR 519 Ca -0.04 0.45 0.07 0.00 -0.37 0.00 0.00 57.07 57.17 3i3t s TYR 519 Cb -0.08 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 3i3t s TYR 519 CO -0.00 0.69 -0.13 0.95 -1.57 0.00 0.00 175.55 175.49 3i3t s THR 520 N -1.10 1.53 -0.02 -0.71 -4.23 -0.65 -4.78 115.64 105.68 3i3t s THR 520 Ca 0.18 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 3i3t s THR 520 Cb -0.12 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 3i3t s THR 520 CO 0.08 -0.64 -0.21 0.00 -0.54 0.00 0.00 174.62 173.31 3i3t s ALA 521 N -3.06 2.39 -0.25 3.99 0.00 -0.93 -0.40 121.76 123.51 3i3t s ALA 521 Ca 0.20 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3i3t s ALA 521 Cb 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.45 3i3t s ALA 521 CO 0.05 0.54 -0.10 -0.51 0.00 0.00 0.00 175.76 175.74 3i3t s LEU 522 N -0.77 3.23 -0.01 0.00 1.43 -0.73 0.00 118.68 121.83 3i3t s LEU 522 Ca 0.11 -1.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 3i3t s LEU 522 Cb -0.10 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3i3t s LEU 522 CO 0.00 -0.16 -0.22 0.00 0.23 0.00 0.00 176.35 176.21 3i3t s ARG 524 N -0.54 4.49 0.00 0.00 6.06 0.75 -1.56 118.95 128.15 3i3t s ARG 524 Ca 0.08 1.10 0.00 0.00 -2.50 0.00 0.00 55.73 54.42 3i3t s ARG 524 Cb -0.08 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.48 3i3t s ARG 524 CO -0.01 0.05 0.00 0.00 -2.50 0.00 0.00 175.30 172.84 3i3t h GLN 526 N 0.00 0.59 -0.94 0.00 4.20 -2.03 -3.06 115.11 113.87 3i3t h GLN 526 Ca 0.00 -0.16 -0.62 0.00 0.06 0.00 0.00 58.65 57.93 3i3t h GLN 526 Cb 0.00 -0.07 -0.30 0.00 0.30 0.00 0.00 27.48 27.41 3i3t h GLN 526 CO 0.00 0.67 0.60 0.25 -0.67 0.00 0.00 178.83 179.68 3i3t n THR 527 N -4.21 3.40 -0.50 -0.54 -2.24 -1.26 -5.04 114.28 103.89 3i3t n THR 527 Ca 0.01 -2.94 0.00 0.00 -2.27 0.00 0.00 64.05 58.85 3i3t n THR 527 Cb 0.31 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3i3t n THR 527 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3t n GLY 528 N -0.94 -1.61 3.80 3.38 0.00 -1.16 -5.01 105.19 103.66 3i3t n GLY 528 Ca 0.59 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 3i3t n GLY 528 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i3t s TRP 529 N 0.00 3.25 0.11 1.61 0.52 -1.26 -0.37 118.94 122.80 3i3t s TRP 529 Ca 0.00 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.28 3i3t s TRP 529 Cb 0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3i3t s TRP 529 CO 0.00 0.54 -0.10 -1.01 0.02 0.00 0.00 176.95 176.40 3i3t s HIS 530 N -1.37 1.10 -0.04 -1.98 3.76 -0.60 -2.81 115.29 113.34 3i3t s HIS 530 Ca 0.29 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 3i3t s HIS 530 Cb -0.12 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3i3t s HIS 530 CO 0.22 0.01 0.13 0.08 -0.85 0.00 0.00 174.74 174.32 3i3t s VAL 531 N -2.69 5.16 -0.20 -0.90 1.01 0.12 -1.50 120.40 121.40 3i3t s VAL 531 Ca 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3i3t s VAL 531 Cb -0.01 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.06 3i3t s VAL 531 CO -0.00 0.43 -0.14 -0.31 0.00 0.00 0.00 175.10 175.07 3i3t s TYR 532 N -1.18 2.68 -0.47 5.22 1.51 0.10 -2.08 117.35 123.13 3i3t s TYR 532 Ca 0.22 -1.70 0.03 0.00 -1.01 0.00 0.00 57.07 54.60 3i3t s TYR 532 Cb -0.12 -1.79 0.14 0.00 -0.11 0.00 0.00 41.96 40.08 3i3t s TYR 532 CO 0.12 -0.78 0.27 1.21 -1.11 0.00 0.00 175.55 175.26 3i3t s ASN 533 N 1.31 3.67 0.62 2.29 2.47 -0.06 -2.19 114.94 123.06 3i3t s ASN 533 Ca 0.00 -2.78 0.00 0.00 0.42 0.00 0.00 52.86 50.50 3i3t s ASN 533 Cb -0.15 -1.10 0.00 0.00 -1.45 0.00 0.00 41.25 38.54 3i3t s ASN 533 CO -0.10 -0.24 0.00 0.47 -3.72 0.00 0.00 177.10 173.51 3i3t n ASP 534 N 3.34 0.00 -0.00 -4.21 8.00 -1.26 -0.94 116.55 121.48 3i3t n ASP 534 Ca 0.10 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.76 3i3t n ASP 534 Cb 0.35 0.00 0.94 0.00 -0.02 0.00 0.00 41.12 42.39 3i3t n ASP 534 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i3t n SER 535 N 6.05 0.00 -4.62 -2.24 3.41 -0.52 -1.35 113.62 114.35 3i3t n SER 535 Ca 0.00 -0.94 -0.34 0.00 -0.26 0.00 0.00 58.87 57.32 3i3t n SER 535 Cb 0.00 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 3i3t n SER 535 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i3t s ARG 536 N -2.04 3.16 -0.03 4.33 3.52 -0.11 -4.40 118.95 123.38 3i3t s ARG 536 Ca 0.47 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.64 3i3t s ARG 536 Cb 0.22 -2.81 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3i3t s ARG 536 CO 0.38 0.57 -0.07 0.08 -0.81 0.00 0.00 175.30 175.44 3i3t s VAL 537 N -0.51 0.67 0.04 7.11 1.01 -1.26 -0.88 120.40 126.57 3i3t s VAL 537 Ca 0.09 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 3i3t s VAL 537 Cb -0.12 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.69 3i3t s VAL 537 CO 0.02 0.22 0.45 -0.94 0.00 0.00 0.00 175.10 174.85 3i3t s SER 538 N 0.30 -0.34 0.68 3.32 1.04 -0.88 -5.00 113.70 112.82 3i3t s SER 538 Ca -0.04 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 3i3t s SER 538 Cb -0.09 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3i3t s SER 538 CO 0.00 -0.66 1.11 -2.84 0.98 0.00 0.00 173.24 171.83 3i3t s PRO 539 N -2.32 2.66 -0.25 4.02 0.02 -1.26 -0.70 135.00 137.17 3i3t s PRO 539 Ca -0.06 1.37 -0.22 0.00 0.02 0.00 0.00 61.00 62.11 3i3t s PRO 539 Cb -0.01 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.64 3i3t s PRO 539 CO -0.01 -1.36 0.66 0.54 -0.33 0.00 0.00 177.00 176.51 3i3t s VAL 540 N -2.42 -0.00 0.77 3.83 0.11 -1.12 -4.76 120.40 116.81 3i3t s VAL 540 Ca 0.66 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.60 3i3t s VAL 540 Cb -0.20 -0.93 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3i3t s VAL 540 CO 0.44 0.00 1.15 -0.94 -3.33 0.00 0.00 175.10 172.42 3i3t s SER 541 N 0.53 4.82 0.00 3.54 1.04 -1.26 -4.17 113.70 118.19 3i3t s SER 541 Ca -0.01 0.88 0.13 0.00 0.48 0.00 0.00 55.95 57.42 3i3t s SER 541 Cb -0.05 -1.48 0.74 0.00 0.10 0.00 0.00 66.02 65.34 3i3t s SER 541 CO -0.02 -1.71 1.21 1.21 0.98 0.00 0.00 173.24 174.91 3i3t n GLU 542 N -3.20 0.37 -0.13 4.02 0.00 -1.26 -2.20 120.64 118.24 3i3t n GLU 542 Ca 0.08 0.03 -0.21 0.00 0.00 0.00 0.00 57.16 57.06 3i3t n GLU 542 Cb 0.60 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.43 3i3t n GLU 542 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3i3t n ASN 543 N -1.04 2.01 0.06 4.31 2.85 -1.26 -2.82 115.26 119.37 3i3t n ASN 543 Ca 0.09 0.01 0.01 0.00 -0.11 0.00 0.00 54.58 54.58 3i3t n ASN 543 Cb 0.05 -0.51 0.35 0.00 1.24 0.00 0.00 39.78 40.91 3i3t n ASN 543 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3i3t h GLN 544 N -0.30 0.38 0.03 1.20 4.20 -1.86 -2.09 115.11 116.67 3i3t h GLN 544 Ca -0.59 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.04 3i3t h GLN 544 Cb 1.77 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.49 3i3t h GLN 544 CO -0.19 0.45 -0.01 -0.24 -0.67 0.00 0.00 178.83 178.17 3i3t h VAL 545 N 0.37 1.33 -0.04 -0.54 3.04 -1.61 -3.03 116.25 115.78 3i3t h VAL 545 Ca 0.08 -1.18 0.01 0.00 -1.01 0.00 0.00 66.70 64.60 3i3t h VAL 545 Cb 0.33 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3i3t h VAL 545 CO 0.01 0.30 0.11 0.00 -1.01 0.00 0.00 177.57 176.98 3i3t h ALA 546 N 0.39 1.32 -0.18 3.17 0.00 -1.35 -1.85 119.26 120.76 3i3t h ALA 546 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3t h ALA 546 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i3t h ALA 546 CO 0.01 -0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 3i3t n SER 547 N -3.31 2.52 -4.74 0.00 3.41 -0.80 -4.69 113.62 106.00 3i3t n SER 547 Ca -0.02 -1.74 -0.36 0.00 -0.26 0.00 0.00 58.87 56.49 3i3t n SER 547 Cb 0.19 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3i3t n SER 547 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i3t s SER 548 N -1.06 4.81 0.06 4.04 0.01 -0.70 -4.96 113.70 115.89 3i3t s SER 548 Ca 0.21 2.50 -0.22 0.00 1.31 0.00 0.00 55.95 59.75 3i3t s SER 548 Cb 0.12 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.61 3i3t s SER 548 CO 0.18 -1.86 1.50 -0.08 0.41 0.00 0.00 173.24 173.39 3i3t h GLU 549 N 0.61 0.20 -1.15 12.44 4.81 -1.92 -3.47 114.58 126.11 3i3t h GLU 549 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3i3t h GLU 549 Cb 1.32 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3i3t h GLU 549 CO 0.54 0.42 -0.27 0.41 -0.73 0.00 0.00 179.01 179.38 3i3t n GLY 550 N -0.36 -3.74 1.23 1.92 0.00 -1.26 -4.68 105.19 98.29 3i3t n GLY 550 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3i3t n GLY 550 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i3t n TYR 551 N -0.37 0.00 -4.45 1.61 9.36 0.49 -4.86 117.16 118.94 3i3t n TYR 551 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 3i3t n TYR 551 Cb 0.00 0.15 -0.16 0.00 -0.63 0.00 0.00 39.34 38.71 3i3t n TYR 551 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i3t s VAL 552 N -1.97 2.31 -0.22 2.97 1.01 -1.07 -0.53 120.40 122.89 3i3t s VAL 552 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3i3t s VAL 552 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3i3t s VAL 552 CO 0.00 0.53 -0.02 -0.76 0.00 0.00 0.00 175.10 174.85 3i3t s LEU 553 N 0.97 3.01 -0.45 3.92 1.43 0.46 -0.59 118.68 127.43 3i3t s LEU 553 Ca -0.03 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3i3t s LEU 553 Cb -0.15 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.34 3i3t s LEU 553 CO -0.04 -0.01 0.42 -0.36 0.23 0.00 0.00 176.35 176.59 3i3t s PHE 554 N 1.41 3.19 -0.03 0.29 0.40 0.84 -1.47 117.98 122.62 3i3t s PHE 554 Ca 0.05 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 3i3t s PHE 554 Cb -0.14 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 3i3t s PHE 554 CO -0.01 -0.75 -0.01 0.71 0.70 0.00 0.00 175.22 175.85 3i3t s TYR 555 N 1.93 3.07 -0.12 0.36 2.02 0.28 -2.01 117.35 122.88 3i3t s TYR 555 Ca 0.08 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 3i3t s TYR 555 Cb -0.20 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3i3t s TYR 555 CO 0.10 0.45 -0.23 1.14 -1.57 0.00 0.00 175.55 175.44 3i3t s GLN 556 N -1.32 3.01 0.12 -0.62 -2.07 -0.49 -0.37 119.66 117.93 3i3t s GLN 556 Ca 0.17 -0.86 -0.34 0.00 -1.82 0.00 0.00 55.36 52.51 3i3t s GLN 556 Cb -0.11 -2.36 -0.14 0.00 -1.09 0.00 0.00 33.01 29.31 3i3t s GLN 556 CO 0.07 0.07 1.59 1.28 -1.32 0.00 0.00 175.29 176.98 3i3t n LEU 557 N 3.84 2.99 -0.60 2.60 4.77 -0.31 -2.04 117.00 128.23 3i3t n LEU 557 Ca -0.20 1.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.99 3i3t n LEU 557 Cb 0.52 -1.39 0.41 0.00 -2.33 0.00 0.00 43.42 40.63 3i3t n LEU 557 CO 0.27 -0.34 0.81 0.23 -1.33 0.00 0.00 177.39 177.03