#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 0.19 0.00 3.57 0.11 -1.26 -4.98 120.40 118.03 3i3t s VAL 212 Ca 0.00 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 3i3t s VAL 212 Cb 0.00 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3i3t s VAL 212 CO 0.00 -0.68 0.00 0.61 -3.33 0.00 0.00 175.10 171.70 3i3t n GLY 213 N 1.01 3.28 2.96 6.54 0.00 -1.26 -4.93 105.19 112.79 3i3t n GLY 213 Ca -0.20 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.55 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 1.98 0.50 0.99 1.43 -0.10 -0.33 118.68 123.16 3i3t s LEU 214 Ca 0.00 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 3i3t s LEU 214 Cb 0.00 -0.29 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 3i3t s LEU 214 CO 0.00 0.06 1.38 -0.13 0.23 0.00 0.00 176.35 177.89 3i3t s ARG 215 N -0.09 3.38 0.05 1.70 1.81 -0.18 -1.86 118.95 123.76 3i3t s ARG 215 Ca 0.02 2.30 -0.19 0.00 -1.72 0.00 0.00 55.73 56.13 3i3t s ARG 215 Cb -0.03 -2.43 -0.06 0.00 -0.45 0.00 0.00 34.95 31.98 3i3t s ARG 215 CO -0.00 -1.02 0.57 1.21 -0.68 0.00 0.00 175.30 175.38 3i3t s ASN 216 N -0.78 7.03 -0.09 0.23 3.04 -1.26 -4.77 114.94 118.33 3i3t s ASN 216 Ca 0.67 1.22 0.13 0.00 0.04 0.00 0.00 52.86 54.92 3i3t s ASN 216 Cb -0.41 -2.35 0.20 0.00 -1.54 0.00 0.00 41.25 37.15 3i3t s ASN 216 CO 0.51 0.23 1.10 0.18 -3.04 0.00 0.00 177.10 176.08 3i3t n LEU 217 N 1.99 2.07 0.00 3.21 4.77 -1.26 -4.98 117.00 122.80 3i3t n LEU 217 Ca -0.10 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 3i3t n LEU 217 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3i3t n LEU 217 CO 0.42 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3i3t n GLY 218 N -1.12 0.32 2.41 -0.72 0.00 -1.26 -4.83 105.19 99.98 3i3t n GLY 218 Ca 0.11 -0.69 -0.14 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 -4.70 -1.38 1.61 5.03 -1.26 -4.72 115.26 109.84 3i3t n ASN 219 Ca 0.00 0.34 -0.02 0.00 0.87 0.00 0.00 54.58 55.77 3i3t n ASN 219 Cb 0.00 -3.47 0.17 0.00 -1.02 0.00 0.00 39.78 35.45 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 -2.63 1.69 0.27 3.41 -2.24 -1.26 -4.35 114.28 109.17 3i3t n THR 220 Ca -0.14 -0.82 0.15 0.00 -2.27 0.00 0.00 64.05 60.97 3i3t n THR 220 Cb 0.47 -0.52 0.74 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.00 0.00 -5.15 -1.87 0.27 116.94 110.19 3i3t h PHE 222 Ca -0.00 0.00 -0.39 0.00 -0.20 0.00 0.00 57.97 57.38 3i3t h PHE 222 Cb 0.42 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.52 3i3t h PHE 222 CO 0.00 0.00 -2.48 -0.11 -2.00 0.00 0.00 178.31 173.72 3i3t n LEU 223 N -2.42 2.83 0.06 2.10 0.00 -0.59 -3.70 117.00 115.28 3i3t n LEU 223 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 56.01 55.78 3i3t n LEU 223 Cb 0.34 -0.84 -0.06 0.00 0.00 0.00 0.00 43.42 42.86 3i3t n LEU 223 CO 0.26 0.92 0.61 0.78 0.00 0.00 0.00 177.39 179.96 3i3t h ASN 224 N 0.00 -1.14 0.24 1.96 4.21 -0.81 -2.34 115.58 117.70 3i3t h ASN 224 Ca -0.58 0.14 -0.08 0.00 1.21 0.00 0.00 56.30 56.99 3i3t h ASN 224 Cb 1.92 0.45 -0.01 0.00 -1.12 0.00 0.00 38.32 39.56 3i3t h ASN 224 CO -0.08 -0.43 -0.34 0.00 -1.29 0.00 0.00 177.43 175.29 3i3t h ALA 225 N 0.10 1.30 -0.18 -0.83 0.00 -0.65 -2.59 119.26 116.41 3i3t h ALA 225 Ca 0.06 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3i3t h ALA 225 Cb 0.62 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i3t h ALA 225 CO -0.30 0.49 -0.32 0.28 0.00 0.00 0.00 179.25 179.40 3i3t h VAL 226 N 0.13 1.34 -0.96 0.00 2.07 -1.62 -2.98 116.25 114.22 3i3t h VAL 226 Ca 0.02 -1.55 0.10 0.00 0.82 0.00 0.00 66.70 66.09 3i3t h VAL 226 Cb 0.66 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 3i3t h VAL 226 CO 0.05 0.47 0.60 -0.07 0.02 0.00 0.00 177.57 178.64 3i3t h LEU 227 N 0.20 0.90 -0.53 2.57 4.07 -1.28 -0.04 115.31 121.20 3i3t h LEU 227 Ca 0.01 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 3i3t h LEU 227 Cb 0.91 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 3i3t h LEU 227 CO 0.07 0.51 0.03 1.56 -1.08 0.00 0.00 178.44 179.53 3i3t h GLN 228 N 1.00 0.92 -0.77 1.13 1.08 -1.48 0.28 115.11 117.27 3i3t h GLN 228 Ca 0.46 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 3i3t h GLN 228 Cb 0.37 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3i3t h GLN 228 CO -0.24 0.92 0.29 0.00 -0.95 0.00 0.00 178.83 178.86 3i3t h LEU 230 N 1.12 0.22 -2.04 0.00 3.38 -0.50 -2.79 115.31 114.70 3i3t h LEU 230 Ca 0.25 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3i3t h LEU 230 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i3t h LEU 230 CO -0.02 0.54 0.03 -1.28 0.09 0.00 0.00 178.44 177.80 3i3t h SER 231 N -0.11 0.00 0.21 -0.43 0.87 -0.35 0.83 113.55 114.57 3i3t h SER 231 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3i3t h SER 231 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3i3t h SER 231 CO 0.01 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.11 3i3t n SER 232 N -4.47 0.00 -4.39 6.23 7.64 -0.20 -4.56 113.62 113.88 3i3t n SER 232 Ca -0.02 -0.45 -0.45 0.00 1.01 0.00 0.00 58.87 58.96 3i3t n SER 232 Cb 0.13 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.26 5.04 0.22 0.44 2.01 0.29 -4.95 115.64 116.42 3i3t s THR 233 Ca 0.31 -1.71 -0.09 0.00 0.31 0.00 0.00 61.69 60.51 3i3t s THR 233 Cb 0.17 -4.60 0.16 0.00 0.01 0.00 0.00 72.50 68.23 3i3t s THR 233 CO 0.33 -1.25 1.82 0.03 -0.69 0.00 0.00 174.62 174.86 3i3t h ARG 234 N 8.58 0.75 -0.02 4.92 3.08 -1.82 0.13 114.38 130.02 3i3t h ARG 234 Ca 0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3i3t h ARG 234 Cb 1.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3i3t h ARG 234 CO 0.99 0.50 -0.43 -1.00 -1.07 0.00 0.00 179.97 178.96 3i3t h PRO 235 N 0.77 0.04 -0.32 0.04 0.13 -1.95 -2.37 132.00 128.34 3i3t h PRO 235 Ca 0.31 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.26 3i3t h PRO 235 Cb 0.15 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 3i3t h PRO 235 CO -0.17 0.46 -0.44 1.25 -0.23 0.00 0.00 178.00 178.87 3i3t h LEU 236 N 0.03 0.95 0.21 1.56 5.85 -1.41 -2.39 115.31 120.12 3i3t h LEU 236 Ca -0.00 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3i3t h LEU 236 Cb 0.77 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3i3t h LEU 236 CO 0.06 1.26 -0.21 -0.09 -0.34 0.00 0.00 178.44 179.11 3i3t h ARG 237 N 0.66 -0.44 -0.29 1.25 2.43 -0.69 -1.65 114.38 115.64 3i3t h ARG 237 Ca 0.04 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3i3t h ARG 237 Cb 1.05 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3i3t h ARG 237 CO 0.10 -0.30 0.01 -0.44 -1.51 0.00 0.00 179.97 177.83 3i3t h ASP 238 N -0.46 -0.10 -0.86 -3.80 3.32 -1.48 0.67 116.42 113.71 3i3t h ASP 238 Ca -0.00 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.28 3i3t h ASP 238 Cb 0.43 0.11 -0.16 0.00 0.22 0.00 0.00 39.33 39.93 3i3t h ASP 238 CO -0.05 -0.02 -0.23 0.15 -1.72 0.00 0.00 179.24 177.38 3i3t h PHE 239 N 0.09 -0.49 0.33 4.55 3.57 -1.38 -0.91 116.94 122.70 3i3t h PHE 239 Ca 0.14 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3i3t h PHE 239 Cb 0.18 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3i3t h PHE 239 CO -0.21 -0.37 -0.16 0.00 -2.23 0.00 0.00 178.31 175.34 3i3t h LEU 241 N -0.66 0.45 0.00 0.00 3.38 -0.74 -2.18 115.31 115.56 3i3t h LEU 241 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i3t h LEU 241 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i3t h LEU 241 CO 0.07 0.32 -0.18 0.54 0.09 0.00 0.00 178.44 179.29 3i3t n ARG 242 N -4.48 0.18 -3.03 1.13 1.74 -0.36 -4.92 116.66 106.92 3i3t n ARG 242 Ca 0.03 0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 57.00 3i3t n ARG 242 Cb 0.07 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.98 -4.76 0.32 5.56 1.74 -0.82 -4.87 116.66 111.86 3i3t n ARG 243 Ca 0.05 0.89 0.21 0.00 -0.77 0.00 0.00 57.85 58.24 3i3t n ARG 243 Cb 0.40 -5.74 1.10 0.00 -1.02 0.00 0.00 32.46 27.20 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 -1.34 0.00 0.51 0.55 3.32 -1.69 -2.62 116.42 115.16 3i3t h ASP 244 Ca -0.53 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3i3t h ASP 244 Cb 1.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3i3t h ASP 244 CO 0.57 0.00 -0.49 2.19 -1.72 0.00 0.00 179.24 179.79 3i3t h PHE 245 N 0.00 0.00 -0.90 4.55 -5.15 -1.90 -2.11 116.94 111.44 3i3t h PHE 245 Ca 0.00 0.00 0.21 0.00 -0.20 0.00 0.00 57.97 57.98 3i3t h PHE 245 Cb 0.08 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 36.13 3i3t h PHE 245 CO 0.00 0.49 0.42 0.00 -2.00 0.00 0.00 178.31 177.23 3i3t h ARG 246 N 0.00 0.46 -0.02 6.09 3.08 -1.83 -2.91 114.38 119.24 3i3t h ARG 246 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i3t h ARG 246 Cb 0.88 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3i3t h ARG 246 CO 0.06 0.30 -0.42 1.04 -1.07 0.00 0.00 179.97 179.89 3i3t n GLN 247 N -4.99 1.21 0.30 0.04 1.13 -0.80 -3.94 117.38 110.32 3i3t n GLN 247 Ca 0.21 -0.97 0.20 0.00 -1.94 0.00 0.00 57.00 54.50 3i3t n GLN 247 Cb 0.61 -1.48 0.94 0.00 0.11 0.00 0.00 30.24 30.43 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 2.36 0.00 -4.28 -1.09 4.39 -1.39 -3.53 114.58 111.04 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 0.73 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 3i3t h GLU 248 CO 0.00 0.00 -0.75 0.28 -1.16 0.00 0.00 179.01 177.38 3i3t n VAL 249 N -2.99 -8.54 0.00 3.13 0.31 -1.25 -4.42 118.33 104.55 3i3t n VAL 249 Ca -0.01 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.67 3i3t n VAL 249 Cb 0.17 -5.67 0.00 0.00 -0.91 0.00 0.00 33.84 27.43 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 0.66 0.00 -0.09 5.55 6.02 -1.26 -4.63 117.38 123.63 3i3t n GLN 256 Ca -0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.79 3i3t n GLN 256 Cb 0.15 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.37 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 0.44 -0.08 -1.09 4.81 -1.98 -2.16 114.58 114.52 3i3t h GLU 257 Ca 0.00 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 3i3t h GLU 257 Cb 0.00 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3i3t h GLU 257 CO 0.00 0.55 -0.77 1.25 -0.73 0.00 0.00 179.01 179.31 3i3t h LEU 258 N 0.27 0.55 -0.90 1.64 5.85 -1.96 -1.60 115.31 119.15 3i3t h LEU 258 Ca 0.08 -0.37 0.13 0.00 0.84 0.00 0.00 57.88 58.56 3i3t h LEU 258 Cb 0.31 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 3i3t h LEU 258 CO 0.00 1.12 0.52 0.74 -0.34 0.00 0.00 178.44 180.49 3i3t h THR 259 N 0.30 0.84 0.00 1.05 2.02 -1.89 0.80 112.91 116.03 3i3t h THR 259 Ca -0.04 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3i3t h THR 259 Cb 1.36 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3i3t h THR 259 CO 0.13 0.15 -0.14 -0.33 0.37 0.00 0.00 175.52 175.70 3i3t h GLU 260 N 0.80 0.00 0.05 6.66 4.39 -1.16 0.34 114.58 125.66 3i3t h GLU 260 Ca 0.46 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.83 3i3t h GLU 260 Cb 0.53 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 3i3t h GLU 260 CO -0.30 0.00 -1.96 0.00 -1.16 0.00 0.00 179.01 175.60 3i3t n ALA 261 N -1.85 1.26 0.24 3.43 0.00 -0.62 -3.87 120.51 119.10 3i3t n ALA 261 Ca 0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 3i3t n ALA 261 Cb 0.45 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 3i3t n ALA 261 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i3t h PHE 262 N 0.03 -0.71 -0.84 0.00 3.57 -0.69 -2.81 116.94 115.48 3i3t h PHE 262 Ca -0.39 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.33 3i3t h PHE 262 Cb 2.04 0.25 -0.16 0.00 2.79 0.00 0.00 35.95 40.87 3i3t h PHE 262 CO 0.03 -0.40 0.00 0.00 -2.23 0.00 0.00 178.31 175.72 3i3t n ALA 263 N -2.44 0.42 1.37 2.41 0.00 0.12 0.48 120.51 122.87 3i3t n ALA 263 Ca -0.08 0.90 0.13 0.00 0.00 0.00 0.00 53.44 54.40 3i3t n ALA 263 Cb 0.27 -0.65 0.42 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.22 1.71 0.06 0.00 5.68 -1.22 -1.01 116.55 116.56 3i3t n ASP 264 Ca 0.19 -1.52 -0.12 0.00 -0.50 0.00 0.00 54.79 52.85 3i3t n ASP 264 Cb 0.63 0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.56 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 2.63 0.96 -1.17 2.12 2.07 0.30 -2.34 116.25 120.82 3i3t h VAL 265 Ca 0.00 -1.05 0.33 0.00 0.82 0.00 0.00 66.70 66.80 3i3t h VAL 265 Cb 0.59 1.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 3i3t h VAL 265 CO 0.00 0.22 0.79 0.40 0.02 0.00 0.00 177.57 179.00 3i3t h ILE 266 N -0.76 0.39 0.32 4.57 1.08 -1.36 -1.62 117.51 120.14 3i3t h ILE 266 Ca -0.02 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3i3t h ILE 266 Cb 0.53 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 3i3t h ILE 266 CO 0.03 0.04 -0.16 1.23 -0.69 0.00 0.00 178.15 178.61 3i3t h GLY 267 N 0.20 -0.45 -0.82 5.37 0.00 -0.96 -2.74 103.07 103.67 3i3t h GLY 267 Ca 0.64 0.17 0.34 0.00 0.00 0.00 0.00 47.33 48.48 3i3t h GLY 267 CO -0.22 -0.16 0.42 0.00 0.00 0.00 0.00 176.54 176.58 3i3t n ALA 268 N -2.62 0.82 1.59 3.60 0.00 -0.68 -1.70 120.51 121.52 3i3t n ALA 268 Ca -0.08 0.84 0.15 0.00 0.00 0.00 0.00 53.44 54.35 3i3t n ALA 268 Cb 0.26 -0.83 0.80 0.00 0.00 0.00 0.00 19.45 19.68 3i3t n ALA 268 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i3t n LEU 269 N -4.88 0.00 0.00 0.00 4.77 -0.76 -4.68 117.00 111.44 3i3t n LEU 269 Ca 0.31 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3i3t n LEU 269 Cb 1.04 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3i3t n LEU 269 CO 0.00 -0.01 0.00 1.87 -1.33 0.00 0.00 177.39 177.93 3i3t n TRP 270 N -1.18 0.00 -3.64 -1.77 -0.00 -0.69 -4.56 117.44 105.60 3i3t n TRP 270 Ca 0.17 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.36 3i3t n TRP 270 Cb 0.19 -0.26 -0.08 0.00 -0.00 0.00 0.00 31.31 31.15 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 -1.74 3.62 -2.41 5.87 8.25 -1.26 -5.02 115.22 122.52 3i3t n HIS 271 Ca 0.00 -4.10 -0.41 0.00 -0.26 0.00 0.00 57.72 52.95 3i3t n HIS 271 Cb 0.00 -0.83 -0.04 0.00 1.12 0.00 0.00 29.99 30.25 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 -1.78 4.55 -0.12 -0.41 0.04 -1.26 -4.95 135.00 131.07 3i3t s PRO 272 Ca 0.30 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 3i3t s PRO 272 Cb 0.00 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 3i3t s PRO 272 CO -0.10 0.04 0.13 0.38 0.04 0.00 0.00 177.00 177.49 3i3t h ASP 273 N 4.58 0.00 -4.21 6.66 2.03 -1.97 -3.48 116.42 120.03 3i3t h ASP 273 Ca -0.46 -0.22 -0.45 0.00 -0.73 0.00 0.00 57.03 55.17 3i3t h ASP 273 Cb 1.21 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 39.85 3i3t h ASP 273 CO 0.71 0.70 0.38 -0.94 -1.03 0.00 0.00 179.24 179.06 3i3t s SER 274 N -5.79 3.45 0.00 4.15 1.04 -1.26 -5.00 113.70 110.28 3i3t s SER 274 Ca -0.08 0.55 0.25 0.00 0.48 0.00 0.00 55.95 57.15 3i3t s SER 274 Cb 0.00 -0.83 0.54 0.00 0.10 0.00 0.00 66.02 65.83 3i3t s SER 274 CO 0.21 -2.55 1.46 0.00 0.98 0.00 0.00 173.24 173.33 3i3t n GLU 276 N 0.92 0.57 -2.13 0.00 -0.58 -1.26 -4.82 120.64 113.33 3i3t n GLU 276 Ca 0.17 0.21 -0.39 0.00 -0.42 0.00 0.00 57.16 56.73 3i3t n GLU 276 Cb 0.50 -1.78 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 0.77 3.14 0.33 0.62 0.00 -1.26 -4.72 121.76 120.64 3i3t s ALA 277 Ca 0.90 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 53.70 3i3t s ALA 277 Cb -1.14 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 18.44 3i3t s ALA 277 CO 0.56 -0.76 1.17 0.08 0.00 0.00 0.00 175.76 176.81 3i3t s VAL 278 N -1.35 3.20 -0.38 0.00 1.01 0.55 -4.69 120.40 118.74 3i3t s VAL 278 Ca 0.59 1.15 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 3i3t s VAL 278 Cb -0.35 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3i3t s VAL 278 CO 0.43 0.23 0.26 0.21 0.00 0.00 0.00 175.10 176.23 3i3t s ASN 279 N -0.85 6.00 -0.23 3.32 3.84 -1.26 -1.01 114.94 124.75 3i3t s ASN 279 Ca 0.49 -0.74 0.05 0.00 0.21 0.00 0.00 52.86 52.86 3i3t s ASN 279 Cb -0.33 -2.12 0.45 0.00 -0.55 0.00 0.00 41.25 38.69 3i3t s ASN 279 CO 0.43 -0.36 1.46 -0.81 -2.79 0.00 0.00 177.10 175.03 3i3t n PRO 280 N 5.11 2.37 -0.03 0.43 -0.04 -1.26 -4.64 135.00 136.94 3i3t n PRO 280 Ca -0.12 -1.89 -0.13 0.00 -0.04 0.00 0.00 63.50 61.33 3i3t n PRO 280 Cb 0.48 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 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 1.29 0.10 0.00 0.52 2.02 -1.96 -2.41 112.91 112.47 3i3t h THR 281 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3i3t h THR 281 Cb 1.89 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3i3t h THR 281 CO 0.55 0.00 -0.01 -0.09 0.37 0.00 0.00 175.52 176.33 3i3t h ARG 282 N -0.49 -0.03 -0.65 6.66 9.65 -1.99 0.30 114.38 127.84 3i3t h ARG 282 Ca 0.08 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.09 3i3t h ARG 282 Cb 0.63 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.12 3i3t h ARG 282 CO -0.44 -0.02 0.11 0.35 2.80 0.00 0.00 179.97 182.77 3i3t h PHE 283 N -0.03 0.16 -0.31 2.20 3.57 -1.83 0.93 116.94 121.64 3i3t h PHE 283 Ca 0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3i3t h PHE 283 Cb 0.03 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3i3t h PHE 283 CO -0.09 -0.09 -0.41 -0.09 -2.23 0.00 0.00 178.31 175.41 3i3t h ARG 284 N 0.23 0.76 -0.06 1.11 2.43 -0.40 0.19 114.38 118.64 3i3t h ARG 284 Ca 0.35 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3i3t h ARG 284 Cb 0.57 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 3i3t h ARG 284 CO -0.47 1.03 -0.20 0.00 -1.51 0.00 0.00 179.97 178.81 3i3t h ALA 285 N 0.92 -0.20 -0.60 2.80 0.00 0.59 -1.08 119.26 121.69 3i3t h ALA 285 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i3t h ALA 285 Cb 0.96 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3i3t h ALA 285 CO 0.09 -0.68 0.35 0.28 0.00 0.00 0.00 179.25 179.29 3i3t h VAL 286 N -0.29 1.02 -0.63 0.00 2.07 -0.68 -2.61 116.25 115.14 3i3t h VAL 286 Ca 0.08 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3i3t h VAL 286 Cb 0.40 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3i3t h VAL 286 CO -0.23 0.12 0.39 0.15 0.02 0.00 0.00 177.57 178.03 3i3t h PHE 287 N 0.67 0.74 -0.00 1.57 3.57 -0.12 -1.32 116.94 122.05 3i3t h PHE 287 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3i3t h PHE 287 Cb 0.08 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3i3t h PHE 287 CO -0.07 0.43 -0.16 0.00 -2.23 0.00 0.00 178.31 176.28 3i3t n GLN 288 N -4.71 0.27 0.05 1.11 10.64 -0.45 -1.82 117.38 122.48 3i3t n GLN 288 Ca 0.06 -0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 55.01 3i3t n GLN 288 Cb 0.07 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 27.93 3i3t n GLN 288 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i3t h LYS 289 N 0.21 0.47 -0.01 2.61 3.64 -0.86 -2.91 116.57 119.72 3i3t h LYS 289 Ca 0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3i3t h LYS 289 Cb 0.44 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3i3t h LYS 289 CO 0.00 1.09 -0.28 0.66 -2.27 0.00 0.00 179.45 178.65 3i3t n TYR 290 N -3.80 0.00 -3.06 1.91 4.01 -0.93 -4.49 117.16 110.79 3i3t n TYR 290 Ca -0.06 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.51 3i3t n TYR 290 Cb 0.79 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.42 -0.26 -0.23 -0.72 0.31 -0.75 -5.02 118.33 111.23 3i3t n VAL 291 Ca 0.12 -3.58 0.31 0.00 -0.01 0.00 0.00 64.34 61.18 3i3t n VAL 291 Cb 0.38 -0.22 0.73 0.00 -0.91 0.00 0.00 33.84 33.82 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 3.36 0.00 0.00 5.55 0.13 -1.74 0.16 132.00 139.47 3i3t h PRO 292 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3i3t h PRO 292 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 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 -4.14 0.46 -2.20 1.44 3.41 -1.26 -2.11 113.62 109.21 3i3t n SER 293 Ca 0.21 0.68 -0.22 0.00 -0.26 0.00 0.00 58.87 59.29 3i3t n SER 293 Cb 1.10 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.08 2.99 -2.77 7.33 3.01 0.04 -4.96 117.46 121.02 3i3t n PHE 294 Ca -0.00 -1.78 -0.29 0.00 1.01 0.00 0.00 57.45 56.39 3i3t n PHE 294 Cb 0.08 -0.92 -0.02 0.00 -0.01 0.00 0.00 39.48 38.61 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 -1.28 6.39 0.00 4.37 1.04 -0.90 -4.86 113.70 118.45 3i3t s SER 295 Ca 0.57 1.01 0.00 0.00 0.48 0.00 0.00 55.95 58.01 3i3t s SER 295 Cb 0.48 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 64.32 3i3t s SER 295 CO 0.11 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3i3t n GLY 296 N -1.75 -1.21 0.19 7.32 0.00 -1.26 -4.64 105.19 103.83 3i3t n GLY 296 Ca 0.01 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.59 1.61 4.02 -1.26 -5.07 117.16 114.87 3i3t n TYR 297 Ca 0.00 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.90 57.17 3i3t n TYR 297 Cb 0.00 -0.07 0.07 0.00 -0.02 0.00 0.00 39.34 39.33 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 -1.35 4.54 0.93 7.72 1.04 -1.26 -4.50 113.70 120.82 3i3t s SER 298 Ca 0.09 2.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 3i3t s SER 298 Cb 0.08 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.77 3i3t s SER 298 CO 0.01 -2.03 1.09 -1.10 0.98 0.00 0.00 173.24 172.19 3i3t s GLN 299 N -3.85 0.95 0.25 4.02 -0.21 -1.26 -4.86 119.66 114.69 3i3t s GLN 299 Ca 0.73 0.98 -0.18 0.00 0.02 0.00 0.00 55.36 56.91 3i3t s GLN 299 Cb -0.28 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 31.99 3i3t s GLN 299 CO 0.42 -2.50 0.60 -1.14 -2.12 0.00 0.00 175.29 170.55 3i3t s GLN 300 N -4.81 1.61 -0.04 2.91 2.00 -1.26 -5.14 119.66 114.94 3i3t s GLN 300 Ca 0.65 -1.02 -0.18 0.00 -2.00 0.00 0.00 55.36 52.81 3i3t s GLN 300 Cb -0.20 0.55 -0.05 0.00 0.80 0.00 0.00 33.01 34.11 3i3t s GLN 300 CO 0.58 -0.71 0.49 0.34 -0.50 0.00 0.00 175.29 175.49 3i3t s ASP 301 N -2.93 6.82 0.03 6.67 -1.08 -1.26 -4.88 116.67 120.04 3i3t s ASP 301 Ca 0.14 0.98 -0.17 0.00 -0.52 0.00 0.00 52.55 52.98 3i3t s ASP 301 Cb -0.03 -2.30 -0.27 0.00 -1.46 0.00 0.00 42.92 38.87 3i3t s ASP 301 CO 0.05 0.16 1.09 0.00 0.52 0.00 0.00 175.17 176.99 3i3t h ALA 302 N 5.59 0.03 0.00 3.66 0.00 -1.99 -0.75 119.26 125.80 3i3t h ALA 302 Ca -0.46 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 53.73 3i3t h ALA 302 Cb 1.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i3t h ALA 302 CO 0.68 0.55 -0.12 -0.56 0.00 0.00 0.00 179.25 179.80 3i3t h GLN 303 N 0.11 0.00 0.01 0.00 -0.00 -1.94 0.01 115.11 113.30 3i3t h GLN 303 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.47 3i3t h GLN 303 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.15 3i3t h GLN 303 CO 0.19 0.12 -0.19 1.49 -0.00 0.00 0.00 178.83 180.44 3i3t h GLU 304 N 0.00 0.11 0.16 0.06 4.81 -1.93 -1.79 114.58 116.00 3i3t h GLU 304 Ca -0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3i3t h GLU 304 Cb 0.46 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3i3t h GLU 304 CO 0.02 0.92 -0.51 0.35 -0.73 0.00 0.00 179.01 179.06 3i3t h PHE 305 N -0.64 -1.46 -0.22 0.92 3.57 -0.84 -1.42 116.94 116.85 3i3t h PHE 305 Ca -0.03 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3i3t h PHE 305 Cb 0.99 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 3i3t h PHE 305 CO 0.20 -0.58 0.23 1.25 -2.23 0.00 0.00 178.31 177.17 3i3t h LEU 306 N -0.76 0.00 -0.02 0.59 5.85 -1.06 -0.52 115.31 119.40 3i3t h LEU 306 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3i3t h LEU 306 Cb 0.74 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.78 3i3t h LEU 306 CO -0.25 0.00 -0.50 0.50 -0.34 0.00 0.00 178.44 177.84 3i3t h LYS 307 N 0.00 0.37 0.00 1.25 3.64 -0.50 -2.17 116.57 119.16 3i3t h LYS 307 Ca 0.10 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i3t h LYS 307 Cb 0.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i3t h LYS 307 CO -0.00 1.05 0.00 -0.07 -2.27 0.00 0.00 179.45 178.16 3i3t h LEU 308 N -0.16 0.00 0.18 5.20 4.07 -1.01 -2.22 115.31 121.38 3i3t h LEU 308 Ca -0.06 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.60 3i3t h LEU 308 Cb 1.21 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.97 3i3t h LEU 308 CO 0.10 0.00 -1.45 0.25 -1.08 0.00 0.00 178.44 176.26 3i3t h LEU 309 N 0.00 0.61 -0.92 1.67 5.85 -1.07 -3.16 115.31 118.29 3i3t h LEU 309 Ca 0.00 -0.92 -0.05 0.00 0.84 0.00 0.00 57.88 57.75 3i3t h LEU 309 Cb 0.59 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3i3t h LEU 309 CO 0.00 1.67 0.20 0.24 -0.34 0.00 0.00 178.44 180.21 3i3t h MET 310 N -0.05 1.00 -0.33 1.25 2.86 -1.32 -2.24 114.93 116.10 3i3t h MET 310 Ca -0.28 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.22 3i3t h MET 310 Cb 1.97 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 33.42 3i3t h MET 310 CO 0.17 0.86 -0.02 0.93 1.06 0.00 0.00 176.91 179.91 3i3t h GLU 311 N 0.96 0.06 0.28 1.72 5.08 -1.50 0.77 114.58 121.95 3i3t h GLU 311 Ca 0.21 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3i3t h GLU 311 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i3t h GLU 311 CO -0.01 0.04 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.82 3i3t h ARG 312 N 0.07 -0.36 -0.76 2.33 9.65 -1.50 -2.40 114.38 121.41 3i3t h ARG 312 Ca 0.16 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.15 3i3t h ARG 312 Cb 0.23 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 28.78 3i3t h ARG 312 CO -0.29 -0.02 -0.54 -0.07 2.80 0.00 0.00 179.97 181.85 3i3t h LEU 313 N -0.77 -1.93 -0.56 3.80 4.07 -1.42 -0.60 115.31 117.90 3i3t h LEU 313 Ca -0.04 0.29 0.11 0.00 0.08 0.00 0.00 57.88 58.33 3i3t h LEU 313 Cb 0.50 0.85 -0.11 0.00 1.08 0.00 0.00 40.66 42.98 3i3t h LEU 313 CO 0.06 -0.30 -0.15 -0.74 -1.08 0.00 0.00 178.44 176.23 3i3t h HIS 314 N -0.15 -0.32 0.16 1.13 -0.00 -0.75 -1.26 115.15 113.96 3i3t h HIS 314 Ca 0.15 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3i3t h HIS 314 Cb 0.50 0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 28.10 3i3t h HIS 314 CO -0.88 -0.25 -0.36 1.25 -0.00 0.00 0.00 177.93 177.69 3i3t h LEU 315 N -0.01 -1.03 -2.15 0.26 5.85 -1.05 0.27 115.31 117.46 3i3t h LEU 315 Ca 0.27 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3i3t h LEU 315 Cb 0.42 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3i3t h LEU 315 CO -0.59 -0.45 -0.07 -0.33 -0.34 0.00 0.00 178.44 176.67 3i3t h GLU 316 N -0.62 0.00 -0.16 1.25 5.08 -0.14 -3.05 114.58 116.94 3i3t h GLU 316 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i3t h GLU 316 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3i3t h GLU 316 CO -0.18 0.07 0.00 0.44 -1.00 0.00 0.00 179.01 178.33 3i3t n ILE 317 N -3.52 0.63 -1.64 3.13 -5.35 -0.57 -4.82 119.36 107.22 3i3t n ILE 317 Ca -0.02 -0.82 -0.52 0.00 -0.27 0.00 0.00 62.75 61.12 3i3t n ILE 317 Cb 0.19 0.74 -0.06 0.00 -1.74 0.00 0.00 39.64 38.78 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 0.30 2.16 0.04 7.28 2.85 0.92 -4.67 115.26 124.14 3i3t n ASN 318 Ca 0.07 1.09 -0.10 0.00 -0.11 0.00 0.00 54.58 55.53 3i3t n ASN 318 Cb 0.31 -1.22 0.04 0.00 1.24 0.00 0.00 39.78 40.14 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 5.75 0.45 0.00 1.20 3.08 -0.65 -3.44 114.38 120.76 3i3t h ARG 319 Ca -0.47 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.24 3i3t h ARG 319 Cb 1.32 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3i3t h ARG 319 CO 0.85 0.96 0.00 0.54 -1.07 0.00 0.00 179.97 181.25 3i3t n ARG 320 N -3.88 0.00 0.00 0.04 1.74 -1.25 -4.95 116.66 108.37 3i3t n ARG 320 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i3t n ARG 320 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 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 -4.86 0.55 7.94 -1.26 -5.03 117.00 114.34 3i3t n LEU 349 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 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 0.14 -0.55 -1.11 0.00 0.00 177.39 175.87 3i3t s SER 350 N 0.00 6.70 0.20 1.96 0.15 -1.26 -4.93 113.70 116.53 3i3t s SER 350 Ca 0.00 0.89 -0.20 0.00 0.70 0.00 0.00 55.95 57.34 3i3t s SER 350 Cb 0.00 -2.22 0.16 0.00 -1.71 0.00 0.00 66.02 62.26 3i3t s SER 350 CO 0.00 0.13 1.57 0.44 1.20 0.00 0.00 173.24 176.58 3i3t h ASP 351 N 3.57 -1.36 0.43 5.45 5.19 -2.02 0.14 116.42 127.83 3i3t h ASP 351 Ca -0.49 0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3i3t h ASP 351 Cb 1.19 0.69 -0.00 0.00 0.18 0.00 0.00 39.33 41.39 3i3t h ASP 351 CO 0.66 -0.30 -0.05 0.44 -3.12 0.00 0.00 179.24 176.87 3i3t h ASP 352 N -0.09 0.00 0.20 6.45 3.32 -1.99 -2.43 116.42 121.88 3i3t h ASP 352 Ca 0.28 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.06 3i3t h ASP 352 Cb 0.57 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.15 3i3t h ASP 352 CO -0.84 0.05 -1.22 0.44 -1.72 0.00 0.00 179.24 175.96 3i3t h ASP 353 N 0.00 0.67 -0.53 6.45 3.32 -1.16 -2.55 116.42 122.61 3i3t h ASP 353 Ca -0.00 -0.93 0.02 0.00 0.02 0.00 0.00 57.03 56.14 3i3t h ASP 353 Cb 0.28 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3i3t h ASP 353 CO 0.01 1.58 0.32 0.03 -1.72 0.00 0.00 179.24 179.46 3i3t h ARG 354 N -0.09 0.63 0.09 3.56 3.08 -1.18 -1.42 114.38 119.05 3i3t h ARG 354 Ca -0.22 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.82 3i3t h ARG 354 Cb 1.93 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.80 3i3t h ARG 354 CO 0.21 0.41 -0.40 0.00 -1.07 0.00 0.00 179.97 179.13 3i3t h ALA 355 N 1.23 -0.69 -0.58 0.04 0.00 -1.45 0.21 119.26 118.02 3i3t h ALA 355 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3i3t h ALA 355 Cb 0.01 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3i3t h ALA 355 CO -0.09 -0.96 0.10 -0.91 0.00 0.00 0.00 179.25 177.40 3i3t h ASN 356 N -0.61 0.87 0.40 0.00 2.35 -1.39 0.19 115.58 117.38 3i3t h ASN 356 Ca 0.03 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3i3t h ASN 356 Cb 0.66 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3i3t h ASN 356 CO -0.25 0.87 -0.22 0.25 -1.65 0.00 0.00 177.43 176.43 3i3t h LEU 357 N 0.87 -0.53 -1.55 1.61 7.12 -0.92 0.71 115.31 122.63 3i3t h LEU 357 Ca 0.18 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.24 3i3t h LEU 357 Cb 0.37 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 3i3t h LEU 357 CO 0.01 -0.36 0.33 0.24 -0.13 0.00 0.00 178.44 178.53 3i3t h MET 358 N -0.57 0.58 -0.29 1.25 2.86 -0.23 -1.48 114.93 117.04 3i3t h MET 358 Ca -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3i3t h MET 358 Cb 0.46 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3i3t h MET 358 CO 0.07 0.38 0.02 2.35 1.06 0.00 0.00 176.91 180.79 3i3t h TRP 359 N 0.59 0.54 -0.17 -0.22 2.91 -0.19 -1.68 115.95 117.73 3i3t h TRP 359 Ca 0.19 -0.09 -0.17 0.00 1.13 0.00 0.00 58.89 59.96 3i3t h TRP 359 Cb 0.04 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.54 3i3t h TRP 359 CO -0.00 0.62 -0.60 0.87 -1.03 0.00 0.00 178.44 178.30 3i3t h LYS 360 N 0.29 0.55 -0.78 2.65 1.57 -0.52 -1.08 116.57 119.26 3i3t h LYS 360 Ca 0.08 -0.37 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3i3t h LYS 360 Cb 0.40 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 3i3t h LYS 360 CO 0.01 0.99 0.51 0.00 -0.57 0.00 0.00 179.45 180.39 3i3t h ARG 361 N 0.41 0.86 -0.21 3.15 3.08 -1.27 -2.18 114.38 118.22 3i3t h ARG 361 Ca -0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 3i3t h ARG 361 Cb 1.16 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3i3t h ARG 361 CO 0.11 0.57 -0.59 -0.92 -1.07 0.00 0.00 179.97 178.07 3i3t h TYR 362 N 0.88 1.00 0.00 3.04 3.20 -0.91 -2.81 116.97 121.38 3i3t h TYR 362 Ca 0.33 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3i3t h TYR 362 Cb 0.17 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3i3t h TYR 362 CO -0.00 1.21 0.00 1.28 -1.64 0.00 0.00 178.16 179.01 3i3t n LEU 363 N -4.05 0.00 0.05 2.82 4.77 -0.44 -1.15 117.00 118.99 3i3t n LEU 363 Ca -0.06 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 3i3t n LEU 363 Cb 0.65 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 3i3t n LEU 363 CO 0.50 -0.12 -0.07 -0.33 -1.33 0.00 0.00 177.39 176.04 3i3t h GLU 364 N 0.00 0.00 0.00 3.23 5.08 -1.12 -3.38 114.58 118.38 3i3t h GLU 364 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3i3t h GLU 364 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3i3t h GLU 364 CO 0.00 0.61 -1.93 2.89 -1.00 0.00 0.00 179.01 179.58 3i3t n ARG 365 N -3.14 1.42 -3.95 2.33 1.85 -1.19 -4.86 116.66 109.12 3i3t n ARG 365 Ca -0.06 0.02 -0.35 0.00 -1.00 0.00 0.00 57.85 56.46 3i3t n ARG 365 Cb 0.91 -1.34 -0.14 0.00 -1.05 0.00 0.00 32.46 30.83 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 -2.33 2.99 -0.30 2.89 0.41 -0.30 -4.57 118.70 117.49 3i3t s GLU 366 Ca -0.11 -0.88 -0.08 0.00 -0.41 0.00 0.00 54.97 53.49 3i3t s GLU 366 Cb 0.05 -2.98 0.15 0.00 -1.78 0.00 0.00 34.13 29.56 3i3t s GLU 366 CO 0.50 -0.34 0.67 0.34 -0.49 0.00 0.00 175.26 175.94 3i3t s ASP 367 N 1.37 -1.16 0.31 -0.19 2.15 -1.26 -3.72 116.67 114.17 3i3t s ASP 367 Ca 0.02 1.33 -0.18 0.00 0.43 0.00 0.00 52.55 54.14 3i3t s ASP 367 Cb -0.16 2.21 0.05 0.00 -0.30 0.00 0.00 42.92 44.73 3i3t s ASP 367 CO -0.04 -0.22 0.84 -0.94 -0.17 0.00 0.00 175.17 174.63 3i3t s SER 368 N 2.86 -0.05 0.49 -0.34 1.04 -1.26 -0.02 113.70 116.43 3i3t s SER 368 Ca 0.01 -0.92 0.15 0.00 0.48 0.00 0.00 55.95 55.67 3i3t s SER 368 Cb -0.12 0.74 1.18 0.00 0.10 0.00 0.00 66.02 67.92 3i3t s SER 368 CO -0.19 -1.45 2.10 0.50 0.98 0.00 0.00 173.24 175.18 3i3t h LYS 369 N 2.00 0.14 -0.47 4.02 1.63 -1.97 -0.60 116.57 121.33 3i3t h LYS 369 Ca -0.29 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 3i3t h LYS 369 Cb 1.24 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 3i3t h LYS 369 CO 0.36 0.09 -0.03 0.82 -3.45 0.00 0.00 179.45 177.24 3i3t h ILE 370 N 0.14 1.25 -0.22 2.00 2.04 -1.95 -2.40 117.51 118.37 3i3t h ILE 370 Ca 0.08 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3i3t h ILE 370 Cb 0.13 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3i3t h ILE 370 CO -0.01 0.37 0.01 0.58 0.00 0.00 0.00 178.15 179.10 3i3t h VAL 371 N 0.73 1.24 0.01 1.67 2.07 -1.70 -1.83 116.25 118.44 3i3t h VAL 371 Ca 0.14 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3i3t h VAL 371 Cb 0.49 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3i3t h VAL 371 CO 0.02 0.26 -0.53 0.44 0.02 0.00 0.00 177.57 177.79 3i3t h ASP 372 N 0.15 -1.62 0.45 0.57 3.32 -1.03 -3.09 116.42 115.17 3i3t h ASP 372 Ca 0.06 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3i3t h ASP 372 Cb 0.37 0.62 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3i3t h ASP 372 CO 0.01 -0.52 -0.22 -0.07 -1.72 0.00 0.00 179.24 176.72 3i3t h LEU 373 N -0.67 -0.51 -0.09 1.55 -0.00 -1.51 -3.39 115.31 110.68 3i3t h LEU 373 Ca 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3i3t h LEU 373 Cb 0.72 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 3i3t h LEU 373 CO -0.35 -0.24 -0.79 0.49 -0.00 0.00 0.00 178.44 177.55 3i3t n PHE 374 N -5.28 0.00 -4.38 1.13 3.72 -0.69 -0.56 117.46 111.40 3i3t n PHE 374 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.95 3i3t n PHE 374 Cb 0.29 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 3i3t n PHE 374 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3i3t s VAL 375 N -2.62 4.25 0.00 -4.37 1.01 -1.17 -4.31 120.40 113.20 3i3t s VAL 375 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3i3t s VAL 375 Cb 0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3i3t s VAL 375 CO 0.70 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.98 3i3t n GLY 376 N 2.02 5.14 3.27 4.51 0.00 -0.36 -4.28 105.19 115.48 3i3t n GLY 376 Ca -0.18 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 1.22 0.40 0.31 1.61 0.74 -0.63 -1.31 119.66 122.01 3i3t s GLN 377 Ca 0.00 0.71 0.07 0.00 0.05 0.00 0.00 55.36 56.19 3i3t s GLN 377 Cb 0.00 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.13 3i3t s GLN 377 CO 0.00 -0.13 0.35 -0.51 -0.55 0.00 0.00 175.29 174.45 3i3t s LEU 378 N 1.05 3.83 -0.05 3.68 1.43 0.18 -1.24 118.68 127.56 3i3t s LEU 378 Ca -0.07 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3i3t s LEU 378 Cb -0.07 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.67 3i3t s LEU 378 CO -0.09 -0.31 -0.16 -0.75 0.23 0.00 0.00 176.35 175.27 3i3t s LYS 379 N -4.04 1.81 -0.09 1.70 2.20 -0.37 -2.10 119.74 118.85 3i3t s LYS 379 Ca 0.41 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 3i3t s LYS 379 Cb -0.08 -1.53 0.02 0.00 -1.51 0.00 0.00 37.83 34.73 3i3t s LYS 379 CO 0.28 0.17 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.81 3i3t s SER 380 N 0.23 1.98 -0.19 1.43 1.04 -0.67 -0.84 113.70 116.69 3i3t s SER 380 Ca -0.08 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 3i3t s SER 380 Cb -0.13 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 65.11 3i3t s SER 380 CO 0.03 -0.05 0.21 0.00 0.98 0.00 0.00 173.24 174.41 3i3t s LEU 382 N 0.51 4.08 -0.03 0.00 2.96 0.14 -2.03 118.68 124.32 3i3t s LEU 382 Ca 0.12 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3i3t s LEU 382 Cb -0.12 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3i3t s LEU 382 CO 0.01 0.34 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.68 3i3t s LYS 383 N -0.60 1.57 -0.07 1.98 1.02 0.69 -0.46 119.74 123.88 3i3t s LYS 383 Ca 0.12 -0.58 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 3i3t s LYS 383 Cb -0.12 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 3i3t s LYS 383 CO 0.02 0.27 0.53 0.00 -0.92 0.00 0.00 175.35 175.26 3i3t n GLN 385 N 3.27 1.35 -0.07 0.00 1.13 -0.78 -1.77 117.38 120.50 3i3t n GLN 385 Ca -0.07 -0.54 -0.13 0.00 -1.94 0.00 0.00 57.00 54.33 3i3t n GLN 385 Cb 0.51 -1.21 -0.04 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.14 1.73 0.87 -1.58 0.00 -1.26 -4.79 120.51 115.34 3i3t n ALA 386 Ca 0.09 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 53.00 3i3t n ALA 386 Cb 0.15 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 0.69 3.67 0.00 0.00 -0.73 -5.01 105.19 105.28 3i3t n GLY 388 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.59 2.31 -3.54 1.61 9.36 -1.25 -4.66 117.16 118.40 3i3t n TYR 389 Ca 0.00 0.25 -0.41 0.00 3.32 0.00 0.00 57.90 61.05 3i3t n TYR 389 Cb 0.00 -2.55 -0.09 0.00 -0.63 0.00 0.00 39.34 36.07 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 1.01 2.60 -0.33 2.98 0.52 -1.26 -1.40 118.95 123.07 3i3t s ARG 390 Ca 0.79 -1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 54.18 3i3t s ARG 390 Cb -0.67 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 30.87 3i3t s ARG 390 CO 0.38 -1.11 0.55 0.45 0.02 0.00 0.00 175.30 175.58 3i3t s SER 391 N 2.56 6.37 -0.19 0.23 0.15 0.40 -4.95 113.70 118.26 3i3t s SER 391 Ca 0.04 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 3i3t s SER 391 Cb -0.25 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3i3t s SER 391 CO 0.01 -0.47 -0.08 -0.89 1.20 0.00 0.00 173.24 173.02 3i3t s THR 392 N 2.46 3.20 0.18 6.45 2.01 -1.26 0.26 115.64 128.94 3i3t s THR 392 Ca 0.21 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.74 3i3t s THR 392 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3i3t s THR 392 CO 0.13 0.46 -0.20 0.28 -0.69 0.00 0.00 174.62 174.60 3i3t s THR 393 N 1.15 2.02 0.04 -0.82 -1.32 0.21 -4.98 115.64 111.94 3i3t s THR 393 Ca 0.01 -1.98 0.07 0.00 -1.21 0.00 0.00 61.69 58.58 3i3t s THR 393 Cb -0.14 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 3i3t s THR 393 CO -0.02 -0.26 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.58 3i3t s PHE 394 N -1.95 1.70 -0.05 9.09 0.08 -1.26 -1.67 117.98 123.92 3i3t s PHE 394 Ca 0.18 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 3i3t s PHE 394 Cb -0.06 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3i3t s PHE 394 CO 0.08 0.08 0.24 -1.21 -0.10 0.00 0.00 175.22 174.31 3i3t s GLU 395 N -1.16 0.42 0.51 0.44 2.02 -0.89 -5.00 118.70 115.04 3i3t s GLU 395 Ca 0.06 0.05 -0.17 0.00 0.02 0.00 0.00 54.97 54.93 3i3t s GLU 395 Cb -0.09 0.19 -0.08 0.00 0.10 0.00 0.00 34.13 34.26 3i3t s GLU 395 CO 0.02 -0.09 0.99 0.54 0.02 0.00 0.00 175.26 176.74 3i3t s VAL 396 N -0.55 4.40 0.00 2.63 0.11 -1.26 0.48 120.40 126.22 3i3t s VAL 396 Ca -0.06 1.21 -0.09 0.00 -2.93 0.00 0.00 61.98 60.10 3i3t s VAL 396 Cb -0.04 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 3i3t s VAL 396 CO 0.01 -0.60 0.17 0.72 -3.33 0.00 0.00 175.10 172.08 3i3t s PHE 397 N -2.52 0.00 -0.61 1.54 -0.12 -0.43 -4.82 117.98 111.03 3i3t s PHE 397 Ca 0.60 -0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.48 3i3t s PHE 397 Cb -0.11 -0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3i3t s PHE 397 CO 0.29 -0.32 0.52 0.00 -0.05 0.00 0.00 175.22 175.67 3i3t s ASP 399 N -0.96 -0.29 -0.20 0.00 -4.77 -1.26 -4.55 116.67 104.63 3i3t s ASP 399 Ca 0.06 -0.09 -0.00 0.00 -3.30 0.00 0.00 52.55 49.21 3i3t s ASP 399 Cb 0.05 0.45 0.01 0.00 -1.09 0.00 0.00 42.92 42.35 3i3t s ASP 399 CO 0.15 -0.74 -0.14 -0.22 0.70 0.00 0.00 175.17 174.91 3i3t s LEU 400 N -2.30 2.49 -0.46 2.11 2.96 0.01 -5.02 118.68 118.47 3i3t s LEU 400 Ca -0.02 -0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 3i3t s LEU 400 Cb 0.00 -1.57 0.07 0.00 0.50 0.00 0.00 46.19 45.19 3i3t s LEU 400 CO -0.06 -0.02 0.38 -0.94 -1.32 0.00 0.00 176.35 174.38 3i3t s SER 401 N 1.34 6.11 -0.18 3.68 1.04 -1.26 0.36 113.70 124.79 3i3t s SER 401 Ca 0.04 -1.30 -0.10 0.00 0.48 0.00 0.00 55.95 55.07 3i3t s SER 401 Cb -0.14 -2.17 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 3i3t s SER 401 CO -0.09 -0.62 0.16 -0.76 0.98 0.00 0.00 173.24 172.90 3i3t s LEU 402 N 1.63 4.26 0.70 2.42 1.43 0.27 -4.84 118.68 124.54 3i3t s LEU 402 Ca 0.04 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3i3t s LEU 402 Cb -0.24 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3i3t s LEU 402 CO 0.07 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 175.77 3i3t s PRO 403 N 0.07 2.88 -0.24 1.29 0.04 -1.26 0.43 135.00 138.20 3i3t s PRO 403 Ca 0.11 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 3i3t s PRO 403 Cb -0.12 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.47 3i3t s PRO 403 CO 0.00 -1.15 -0.07 0.42 0.04 0.00 0.00 177.00 176.25 3i3t s ILE 404 N -2.99 2.85 0.53 0.56 -1.09 -1.26 -4.67 121.20 115.13 3i3t s ILE 404 Ca 0.59 -1.00 -0.21 0.00 -2.23 0.00 0.00 60.65 57.79 3i3t s ILE 404 Cb -0.15 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 3i3t s ILE 404 CO 0.54 0.22 1.26 -2.84 -1.23 0.00 0.00 174.94 172.89 3i3t s PRO 405 N 1.33 3.28 0.34 2.79 0.02 -1.26 -4.92 135.00 136.57 3i3t s PRO 405 Ca 0.01 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.02 3i3t s PRO 405 Cb -0.16 -2.21 0.59 0.00 0.02 0.00 0.00 34.50 32.73 3i3t s PRO 405 CO -0.05 -1.00 1.99 1.57 -0.33 0.00 0.00 177.00 179.18 3i3t h LYS 406 N 1.48 0.87 -3.66 5.54 2.10 -1.99 -3.45 116.57 117.46 3i3t h LYS 406 Ca -0.50 -0.06 -0.07 0.00 -2.00 0.00 0.00 60.65 58.01 3i3t h LYS 406 Cb 1.28 -0.19 -0.12 0.00 -0.90 0.00 0.00 32.23 32.30 3i3t h LYS 406 CO 0.57 0.59 -0.19 0.15 -2.00 0.00 0.00 179.45 178.58 3i3t s LYS 407 N -5.72 1.22 1.22 0.07 1.02 -1.26 -4.99 119.74 111.30 3i3t s LYS 407 Ca -0.10 -1.04 -0.18 0.00 0.02 0.00 0.00 55.97 54.66 3i3t s LYS 407 Cb 0.17 0.43 0.29 0.00 -0.52 0.00 0.00 37.83 38.20 3i3t s LYS 407 CO 0.77 -0.47 1.06 0.20 -0.92 0.00 0.00 175.35 175.99 3i3t s GLY 408 N -2.92 1.54 -0.18 -3.33 0.00 -1.00 -4.73 107.32 96.69 3i3t s GLY 408 Ca 0.13 -0.76 0.16 0.00 0.00 0.00 0.00 44.72 44.25 3i3t s GLY 408 CO -0.02 0.09 1.51 0.69 0.00 0.00 0.00 173.10 175.37 3i3t n PHE 409 N -4.88 1.24 -1.59 1.90 3.72 -1.26 -2.68 117.46 113.90 3i3t n PHE 409 Ca 0.11 -0.80 -0.36 0.00 -0.05 0.00 0.00 57.45 56.35 3i3t n PHE 409 Cb 0.59 -0.34 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 3i3t n PHE 409 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3t n ALA 410 N -0.07 6.28 -3.77 4.37 0.00 -1.26 -4.87 120.51 121.19 3i3t n ALA 410 Ca 0.23 -3.72 -0.28 0.00 0.00 0.00 0.00 53.44 49.66 3i3t n ALA 410 Cb 0.94 -1.71 0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.78 -0.51 0.00 0.00 0.00 -1.24 -4.19 105.19 98.47 3i3t n GLY 411 Ca 0.58 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.72 2.05 3.58 -0.02 0.00 -1.09 -4.83 105.19 103.16 3i3t n GLY 412 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3i3t n GLY 412 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3t s LYS 413 N -0.04 3.62 -0.12 1.61 -0.14 -1.26 -2.39 119.74 121.02 3i3t s LYS 413 Ca 0.00 0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.62 3i3t s LYS 413 Cb 0.00 -3.90 -0.01 0.00 -1.68 0.00 0.00 37.83 32.24 3i3t s LYS 413 CO 0.00 -1.19 0.98 0.08 -0.76 0.00 0.00 175.35 174.47 3i3t s VAL 414 N 3.79 4.79 0.37 3.17 1.01 -1.26 -4.37 120.40 127.90 3i3t s VAL 414 Ca 0.39 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.43 3i3t s VAL 414 Cb -0.10 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3i3t s VAL 414 CO 0.25 0.00 0.26 -0.94 0.00 0.00 0.00 175.10 174.68 3i3t s SER 415 N 1.10 4.94 0.41 3.32 1.04 -1.26 -1.63 113.70 121.63 3i3t s SER 415 Ca 0.47 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 56.26 3i3t s SER 415 Cb -0.18 -0.73 0.88 0.00 0.10 0.00 0.00 66.02 66.10 3i3t s SER 415 CO 0.17 -0.45 2.04 0.25 0.98 0.00 0.00 173.24 176.23 3i3t h LEU 416 N 1.29 0.46 -1.37 2.42 5.85 -1.22 -1.11 115.31 121.64 3i3t h LEU 416 Ca -0.43 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 3i3t h LEU 416 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3i3t h LEU 416 CO 0.61 0.32 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.64 3i3t h ARG 417 N 0.54 0.00 0.00 1.25 2.43 -1.95 -2.32 114.38 114.33 3i3t h ARG 417 Ca 0.18 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3i3t h ARG 417 Cb 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3i3t h ARG 417 CO -0.04 0.30 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.77 3i3t h ASP 418 N 0.00 0.00 0.58 -3.80 3.32 -1.59 -1.51 116.42 113.43 3i3t h ASP 418 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3i3t h ASP 418 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3i3t h ASP 418 CO 0.04 0.50 -0.78 0.00 -1.72 0.00 0.00 179.24 177.28 3i3t h PHE 420 N 0.09 1.01 -0.62 0.00 0.04 -1.40 -1.71 116.94 114.36 3i3t h PHE 420 Ca -0.03 -0.46 0.12 0.00 2.80 0.00 0.00 57.97 60.40 3i3t h PHE 420 Cb 1.37 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 39.28 3i3t h PHE 420 CO 0.02 1.29 0.14 -0.91 -0.60 0.00 0.00 178.31 178.25 3i3t h ASN 421 N 0.44 0.02 0.10 2.17 2.35 -1.08 -1.18 115.58 118.41 3i3t h ASN 421 Ca -0.06 0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 3i3t h ASN 421 Cb 1.40 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 3i3t h ASN 421 CO 0.16 0.02 -0.57 0.25 -1.65 0.00 0.00 177.43 175.63 3i3t h LEU 422 N 0.28 0.55 -1.94 1.61 5.85 -1.39 -0.69 115.31 119.58 3i3t h LEU 422 Ca 0.33 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3i3t h LEU 422 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3i3t h LEU 422 CO -0.41 1.00 0.09 0.15 -0.34 0.00 0.00 178.44 178.93 3i3t h PHE 423 N 0.37 0.08 0.00 1.25 3.57 -0.43 -3.24 116.94 118.53 3i3t h PHE 423 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i3t h PHE 423 Cb 1.11 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3i3t h PHE 423 CO 0.04 0.05 -0.94 2.41 -2.23 0.00 0.00 178.31 177.63 3i3t n THR 424 N -4.51 0.00 -1.62 4.41 -1.04 -0.53 -4.45 114.28 106.53 3i3t n THR 424 Ca -0.00 -0.25 -0.43 0.00 -2.04 0.00 0.00 64.05 61.33 3i3t n THR 424 Cb 0.15 0.66 -0.00 0.00 -1.82 0.00 0.00 70.33 69.33 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 -1.53 1.50 -2.02 -2.82 4.81 -0.30 -4.38 118.16 113.42 3i3t n LYS 425 Ca 0.00 0.53 -0.43 0.00 -0.87 0.00 0.00 58.31 57.55 3i3t n LYS 425 Cb 0.22 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 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 -1.83 3.75 0.06 1.64 8.01 -1.26 -4.49 118.70 124.58 3i3t s GLU 426 Ca 0.60 1.77 0.03 0.00 0.01 0.00 0.00 54.97 57.38 3i3t s GLU 426 Cb -0.61 -4.08 -0.04 0.00 -4.31 0.00 0.00 34.13 25.09 3i3t s GLU 426 CO 0.59 -1.36 0.04 -1.21 0.01 0.00 0.00 175.26 173.33 3i3t s GLU 427 N 4.85 2.76 -0.13 1.61 2.02 -0.60 -4.92 118.70 124.29 3i3t s GLU 427 Ca 0.76 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 3i3t s GLU 427 Cb -0.27 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 3i3t s GLU 427 CO 0.31 0.58 1.06 -1.21 0.02 0.00 0.00 175.26 176.02 3i3t s GLU 428 N -2.15 4.36 -0.30 1.61 2.02 -1.26 -1.45 118.70 121.53 3i3t s GLU 428 Ca 0.26 1.45 -0.09 0.00 0.02 0.00 0.00 54.97 56.60 3i3t s GLU 428 Cb -0.12 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 3i3t s GLU 428 CO 0.18 -0.45 0.13 -0.51 0.02 0.00 0.00 175.26 174.63 3i3t s LEU 429 N 2.46 3.97 0.12 1.80 1.43 0.84 -4.99 118.68 124.31 3i3t s LEU 429 Ca 0.49 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3i3t s LEU 429 Cb -0.19 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3i3t s LEU 429 CO 0.15 -0.17 0.10 -1.83 0.23 0.00 0.00 176.35 174.83 3i3t s GLU 430 N 1.60 0.90 6.31 1.70 -1.05 -1.26 -1.42 118.70 125.47 3i3t s GLU 430 Ca 0.05 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 53.56 3i3t s GLU 430 Cb -0.17 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 3i3t s GLU 430 CO 0.05 -0.26 0.00 -1.13 0.95 0.00 0.00 175.26 174.87 3i3t n SER 431 N -0.08 0.00 0.19 0.83 3.41 -1.26 -1.89 113.62 114.83 3i3t n SER 431 Ca -0.08 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.66 3i3t n SER 431 Cb 0.63 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.25 3i3t n SER 431 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3i3t h GLU 432 N 0.00 0.00 -0.01 4.33 -0.00 -1.98 -0.87 114.58 116.06 3i3t h GLU 432 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3i3t h GLU 432 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3i3t h GLU 432 CO 0.00 0.00 -0.19 0.09 -0.00 0.00 0.00 179.01 178.91 3i3t n ASN 433 N -2.41 1.31 -4.70 3.06 3.02 -0.79 -4.91 115.26 109.83 3i3t n ASN 433 Ca -0.01 -1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 3i3t n ASN 433 Cb 0.09 0.12 -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 -2.34 3.67 0.49 5.41 0.00 -0.33 -4.25 121.76 124.40 3i3t s ALA 434 Ca 0.28 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 3i3t s ALA 434 Cb 0.20 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 3i3t s ALA 434 CO 0.46 -0.88 0.96 -1.25 0.00 0.00 0.00 175.76 175.06 3i3t s PRO 435 N 1.90 3.98 -0.13 0.00 0.04 -1.26 -4.91 135.00 134.61 3i3t s PRO 435 Ca 0.69 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3i3t s PRO 435 Cb -0.39 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3i3t s PRO 435 CO 0.30 -0.21 1.16 0.14 0.04 0.00 0.00 177.00 178.44 3i3t s VAL 436 N -2.53 4.42 0.58 -0.36 -7.23 -1.26 -4.51 120.40 109.51 3i3t s VAL 436 Ca 0.59 1.72 -0.20 0.00 -1.81 0.00 0.00 61.98 62.28 3i3t s VAL 436 Cb -0.10 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 3i3t s VAL 436 CO 0.28 -0.08 1.25 0.00 -0.31 0.00 0.00 175.10 176.24 3i3t h ASP 438 N 1.08 0.08 0.02 0.00 3.32 -1.94 -2.26 116.42 116.72 3i3t h ASP 438 Ca -0.50 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.45 3i3t h ASP 438 Cb 1.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3i3t h ASP 438 CO 0.56 1.07 -0.01 0.03 -1.72 0.00 0.00 179.24 179.17 3i3t h ARG 439 N 0.01 -0.02 0.00 3.56 3.08 -2.00 -3.39 114.38 115.62 3i3t h ARG 439 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i3t h ARG 439 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.88 3i3t h ARG 439 CO 0.14 -0.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3i3t n ARG 441 N -2.73 -3.94 -4.36 0.00 1.74 -0.85 -4.99 116.66 101.53 3i3t n ARG 441 Ca 0.03 0.92 -0.19 0.00 -0.77 0.00 0.00 57.85 57.84 3i3t n ARG 441 Cb 0.40 -5.68 -0.10 0.00 -1.02 0.00 0.00 32.46 26.05 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 -5.49 1.36 -1.23 5.56 0.74 -1.26 -4.82 119.66 114.52 3i3t s GLN 442 Ca 0.22 -1.59 -0.04 0.00 0.05 0.00 0.00 55.36 53.99 3i3t s GLN 442 Cb -0.10 -1.20 0.19 0.00 1.10 0.00 0.00 33.01 33.00 3i3t s GLN 442 CO 0.27 0.21 2.17 1.63 -0.55 0.00 0.00 175.29 179.01 3i3t n LYS 443 N -0.35 4.80 -2.72 1.67 5.02 -1.26 -2.37 118.16 122.94 3i3t n LYS 443 Ca -0.08 -3.85 -0.22 0.00 -2.02 0.00 0.00 58.31 52.14 3i3t n LYS 443 Cb 0.60 -2.60 0.10 0.00 -0.02 0.00 0.00 35.03 33.12 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 1.27 0.00 -1.57 -0.18 5.66 -1.26 -4.82 114.28 113.38 3i3t n THR 444 Ca 0.56 -1.71 -0.40 0.00 -3.05 0.00 0.00 64.05 59.45 3i3t n THR 444 Cb 0.26 -0.76 0.02 0.00 -1.55 0.00 0.00 70.33 68.30 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 -2.64 1.05 -4.12 1.09 1.74 -1.26 -4.65 116.66 107.86 3i3t n ARG 445 Ca 0.17 0.38 -0.09 0.00 -0.77 0.00 0.00 57.85 57.54 3i3t n ARG 445 Cb 0.60 -1.94 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.91 0.33 -0.06 0.55 0.01 -0.51 -1.87 113.70 111.23 3i3t s SER 446 Ca 0.66 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.81 3i3t s SER 446 Cb -0.53 0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.99 3i3t s SER 446 CO 0.55 -0.71 -0.15 -0.89 0.41 0.00 0.00 173.24 172.45 3i3t s THR 447 N -4.01 1.35 -0.07 1.44 2.01 0.02 -0.11 115.64 116.27 3i3t s THR 447 Ca 0.20 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.62 3i3t s THR 447 Cb 0.07 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 3i3t s THR 447 CO -0.01 0.40 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.34 3i3t s LYS 448 N 0.41 2.49 -0.08 4.92 2.20 -0.53 -0.22 119.74 128.93 3i3t s LYS 448 Ca -0.12 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 3i3t s LYS 448 Cb -0.15 -2.04 0.04 0.00 -1.51 0.00 0.00 37.83 34.17 3i3t s LYS 448 CO 0.04 0.28 0.19 0.21 -0.36 0.00 0.00 175.35 175.70 3i3t s LYS 449 N 0.07 0.16 -0.11 4.03 2.20 -0.86 -1.55 119.74 123.67 3i3t s LYS 449 Ca -0.09 0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.80 3i3t s LYS 449 Cb -0.15 -0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.04 3i3t s LYS 449 CO 0.05 -0.13 0.27 -0.51 -0.36 0.00 0.00 175.35 174.67 3i3t s LEU 450 N 0.92 4.34 0.13 5.43 1.02 -1.25 -2.49 118.68 126.78 3i3t s LEU 450 Ca -0.07 0.59 0.01 0.00 0.02 0.00 0.00 54.13 54.69 3i3t s LEU 450 Cb -0.08 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 3i3t s LEU 450 CO -0.05 0.24 -0.02 0.42 0.02 0.00 0.00 176.35 176.96 3i3t s THR 451 N -0.31 0.59 -0.39 5.49 -4.23 -0.02 -4.51 115.64 112.27 3i3t s THR 451 Ca 0.17 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 3i3t s THR 451 Cb -0.14 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.81 3i3t s THR 451 CO 0.06 -0.66 0.52 -0.69 -0.54 0.00 0.00 174.62 173.31 3i3t s VAL 452 N -3.71 4.99 0.07 2.29 1.01 0.00 -1.24 120.40 123.82 3i3t s VAL 452 Ca 0.18 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3i3t s VAL 452 Cb 0.06 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 3i3t s VAL 452 CO -0.00 -0.36 1.18 -0.61 0.00 0.00 0.00 175.10 175.30 3i3t h GLN 453 N 8.64 0.68 -3.22 2.72 5.75 -1.47 -2.49 115.11 125.72 3i3t h GLN 453 Ca -0.27 -0.76 -0.30 0.00 -0.15 0.00 0.00 58.65 57.16 3i3t h GLN 453 Cb 1.11 0.22 -0.36 0.00 1.07 0.00 0.00 27.48 29.53 3i3t h GLN 453 CO 0.81 1.33 -0.66 1.03 -2.65 0.00 0.00 178.83 178.68 3i3t s ARG 454 N -3.26 0.01 0.03 1.69 0.52 -0.64 -4.73 118.95 112.57 3i3t s ARG 454 Ca -0.10 0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 55.39 3i3t s ARG 454 Cb 0.07 -0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.17 3i3t s ARG 454 CO 0.92 -0.27 0.48 -0.06 0.02 0.00 0.00 175.30 176.39 3i3t s PHE 455 N 1.92 3.75 0.73 -0.53 0.40 -1.26 -1.61 117.98 121.38 3i3t s PHE 455 Ca -0.00 1.11 -0.08 0.00 -0.60 0.00 0.00 56.93 57.35 3i3t s PHE 455 Cb -0.12 -2.38 0.06 0.00 0.51 0.00 0.00 43.02 41.09 3i3t s PHE 455 CO -0.05 0.60 1.06 -1.25 0.70 0.00 0.00 175.22 176.28 3i3t s PRO 456 N -1.02 2.19 0.04 0.24 0.04 -1.26 -4.87 135.00 130.36 3i3t s PRO 456 Ca 0.26 -0.12 -0.22 0.00 0.04 0.00 0.00 61.00 60.96 3i3t s PRO 456 Cb -0.18 -2.11 -0.15 0.00 0.04 0.00 0.00 34.50 32.10 3i3t s PRO 456 CO 0.16 -1.30 1.40 0.00 0.04 0.00 0.00 177.00 177.30 3i3t h ARG 457 N -0.70 0.22 -4.84 4.56 3.08 -1.62 -3.40 114.38 111.67 3i3t h ARG 457 Ca -0.45 -0.09 -0.67 0.00 0.07 0.00 0.00 59.98 58.84 3i3t h ARG 457 Cb 1.31 -0.01 -0.27 0.00 0.08 0.00 0.00 29.97 31.09 3i3t h ARG 457 CO 0.62 0.55 -0.65 0.42 -1.07 0.00 0.00 179.97 179.84 3i3t s ILE 458 N -4.65 3.79 -0.18 2.04 -1.09 0.28 -1.00 121.20 120.39 3i3t s ILE 458 Ca -0.15 -0.69 -0.19 0.00 -2.23 0.00 0.00 60.65 57.39 3i3t s ILE 458 Cb 0.05 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 3i3t s ILE 458 CO 0.72 0.14 0.55 -0.22 -1.23 0.00 0.00 174.94 174.90 3i3t s LEU 459 N 1.48 4.18 -0.30 2.97 0.20 0.83 -4.33 118.68 123.71 3i3t s LEU 459 Ca 0.03 0.78 -0.04 0.00 0.69 0.00 0.00 54.13 55.58 3i3t s LEU 459 Cb -0.17 -2.78 0.03 0.00 -0.43 0.00 0.00 46.19 42.85 3i3t s LEU 459 CO 0.01 -0.17 0.04 -0.69 -0.29 0.00 0.00 176.35 175.25 3i3t s VAL 460 N 1.47 3.42 -0.16 1.68 1.01 -1.26 0.17 120.40 126.73 3i3t s VAL 460 Ca 0.26 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 3i3t s VAL 460 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3i3t s VAL 460 CO 0.10 -0.03 0.04 -0.76 0.00 0.00 0.00 175.10 174.45 3i3t s LEU 461 N 1.36 3.73 -0.22 3.92 1.43 -0.23 -0.81 118.68 127.87 3i3t s LEU 461 Ca -0.02 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3i3t s LEU 461 Cb -0.19 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3i3t s LEU 461 CO 0.00 0.22 -0.14 -2.28 0.23 0.00 0.00 176.35 174.38 3i3t s HIS 462 N 0.09 2.99 -0.43 0.29 5.65 0.16 -0.46 115.29 123.58 3i3t s HIS 462 Ca 0.04 -1.83 -0.27 0.00 0.25 0.00 0.00 55.06 53.24 3i3t s HIS 462 Cb -0.12 -1.95 0.02 0.00 -1.18 0.00 0.00 32.58 29.35 3i3t s HIS 462 CO 0.01 -0.81 1.03 -0.51 -0.65 0.00 0.00 174.74 173.80 3i3t s LEU 463 N 1.24 3.85 -1.37 8.88 1.43 0.08 0.94 118.68 133.73 3i3t s LEU 463 Ca -0.00 0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 3i3t s LEU 463 Cb -0.16 -3.39 0.06 0.00 0.03 0.00 0.00 46.19 42.74 3i3t s LEU 463 CO -0.09 -1.07 1.97 -3.20 0.23 0.00 0.00 176.35 174.19 3i3t n ASN 464 N 7.32 4.44 -3.45 2.29 4.05 0.17 -4.80 115.26 125.28 3i3t n ASN 464 Ca 0.09 -2.89 -0.40 0.00 0.45 0.00 0.00 54.58 51.83 3i3t n ASN 464 Cb 0.48 -1.69 -0.02 0.00 1.23 0.00 0.00 39.78 39.79 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 6.95 3.60 -3.96 1.20 1.74 -1.26 -4.55 116.66 120.38 3i3t n ARG 465 Ca 0.50 -2.48 -0.13 0.00 -0.77 0.00 0.00 57.85 54.97 3i3t n ARG 465 Cb 0.42 -2.90 -0.14 0.00 -1.02 0.00 0.00 32.46 28.82 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 2.00 0.14 -0.02 -1.55 0.08 -1.26 -2.07 117.98 115.30 3i3t s PHE 466 Ca 0.62 -0.03 0.06 0.00 0.12 0.00 0.00 56.93 57.70 3i3t s PHE 466 Cb 0.17 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.51 3i3t s PHE 466 CO -0.07 -0.00 -0.20 -1.54 -0.10 0.00 0.00 175.22 173.31 3i3t s SER 467 N -0.02 2.39 0.53 1.36 1.04 -0.20 -4.80 113.70 114.00 3i3t s SER 467 Ca 0.00 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.11 3i3t s SER 467 Cb -0.01 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.82 3i3t s SER 467 CO -0.00 0.24 0.39 0.00 0.98 0.00 0.00 173.24 174.84 3i3t n ALA 468 N 2.68 0.81 0.00 5.32 0.00 -1.26 -1.78 120.51 126.28 3i3t n ALA 468 Ca -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.14 3i3t n ALA 468 Cb 0.53 0.89 0.00 0.00 0.00 0.00 0.00 19.45 20.87 3i3t n ALA 468 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3t n SER 469 N -1.82 0.00 0.06 0.00 2.88 -1.15 -4.96 113.62 108.62 3i3t n SER 469 Ca -0.02 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 3i3t n SER 469 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 3i3t n SER 469 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3i3t h ARG 470 N 0.00 -0.15 -0.49 -1.46 -0.00 -2.06 -3.37 114.38 106.85 3i3t h ARG 470 Ca 0.00 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.55 3i3t h ARG 470 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 29.97 29.91 3i3t h ARG 470 CO 0.00 -0.10 -0.53 0.78 0.00 0.00 0.00 179.97 180.12 3i3t h GLY 471 N -0.21 -0.87 -1.58 0.04 0.00 -2.04 -3.47 103.07 94.93 3i3t h GLY 471 Ca -0.02 0.69 -0.22 0.00 0.00 0.00 0.00 47.33 47.79 3i3t h GLY 471 CO 0.03 -0.11 -0.09 -1.35 0.00 0.00 0.00 176.54 175.01 3i3t s SER 472 N -5.12 0.70 -0.03 0.19 1.04 -1.26 -5.16 113.70 104.06 3i3t s SER 472 Ca -0.14 -1.40 0.06 0.00 0.48 0.00 0.00 55.95 54.95 3i3t s SER 472 Cb 0.10 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.90 3i3t s SER 472 CO 0.63 -1.37 -0.22 -0.63 0.98 0.00 0.00 173.24 172.62 3i3t s ILE 473 N -2.94 2.42 0.04 -1.02 1.09 -1.26 -2.95 121.20 116.57 3i3t s ILE 473 Ca 0.27 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 3i3t s ILE 473 Cb -0.01 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.48 3i3t s ILE 473 CO 0.18 0.58 -0.06 -0.54 -0.10 0.00 0.00 174.94 175.00 3i3t s LYS 474 N -0.61 0.48 0.30 2.79 -0.14 -0.73 -4.96 119.74 116.86 3i3t s LYS 474 Ca 0.09 -0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 3i3t s LYS 474 Cb -0.11 -0.13 -0.11 0.00 -1.68 0.00 0.00 37.83 35.80 3i3t s LYS 474 CO -0.00 0.01 1.47 0.21 -0.76 0.00 0.00 175.35 176.27 3i3t s LYS 475 N -1.76 4.22 -0.10 1.68 2.20 -1.26 -1.03 119.74 123.69 3i3t s LYS 475 Ca -0.10 2.40 -0.26 0.00 -0.36 0.00 0.00 55.97 57.65 3i3t s LYS 475 Cb -0.08 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3i3t s LYS 475 CO -0.01 -0.46 0.83 -1.12 -0.36 0.00 0.00 175.35 174.24 3i3t s SER 476 N 0.17 7.07 0.00 1.43 0.01 -0.88 -4.79 113.70 116.71 3i3t s SER 476 Ca 0.57 1.30 0.24 0.00 1.31 0.00 0.00 55.95 59.38 3i3t s SER 476 Cb -0.44 -2.47 0.35 0.00 0.21 0.00 0.00 66.02 63.67 3i3t s SER 476 CO 0.49 -0.29 1.35 -1.20 0.41 0.00 0.00 173.24 174.01 3i3t n SER 477 N 4.52 2.98 -3.66 2.44 7.64 -1.26 -4.82 113.62 121.45 3i3t n SER 477 Ca 0.03 -1.95 -0.52 0.00 1.01 0.00 0.00 58.87 57.44 3i3t n SER 477 Cb 0.50 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.27 0.00 -1.71 0.44 0.31 -1.26 -4.83 118.33 112.55 3i3t n VAL 478 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.06 3i3t n VAL 478 Cb 0.57 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 3i3t n VAL 478 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3t n GLY 479 N 4.86 1.23 3.08 2.92 0.00 -1.26 -5.02 105.19 111.00 3i3t n GLY 479 Ca 0.36 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.63 3i3t n GLY 479 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3t s VAL 480 N 0.35 1.52 -0.39 1.61 1.01 -1.26 -4.41 120.40 118.83 3i3t s VAL 480 Ca 0.69 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3i3t s VAL 480 Cb -0.55 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3i3t s VAL 480 CO 0.44 0.44 0.61 -0.62 0.00 0.00 0.00 175.10 175.97 3i3t s ASP 481 N 0.81 6.36 -0.07 3.32 3.68 -0.64 -4.88 116.67 125.25 3i3t s ASP 481 Ca -0.10 -0.10 0.03 0.00 2.13 0.00 0.00 52.55 54.51 3i3t s ASP 481 Cb -0.16 -2.31 0.01 0.00 -1.45 0.00 0.00 42.92 39.01 3i3t s ASP 481 CO 0.01 -0.64 -0.17 0.72 0.13 0.00 0.00 175.17 175.23 3i3t s PHE 482 N 2.67 1.83 0.34 -5.34 -0.12 -1.26 -0.65 117.98 115.45 3i3t s PHE 482 Ca 0.22 -0.68 -0.29 0.00 -0.05 0.00 0.00 56.93 56.13 3i3t s PHE 482 Cb -0.15 -1.27 -0.11 0.00 -0.63 0.00 0.00 43.02 40.86 3i3t s PHE 482 CO 0.16 -0.30 1.53 -2.14 -0.05 0.00 0.00 175.22 174.42 3i3t s PRO 483 N 0.46 4.11 0.01 1.99 0.02 -1.26 -4.94 135.00 135.39 3i3t s PRO 483 Ca -0.14 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.47 3i3t s PRO 483 Cb -0.16 -2.99 -0.26 0.00 0.02 0.00 0.00 34.50 31.11 3i3t s PRO 483 CO 0.05 -0.58 0.88 -0.07 -0.33 0.00 0.00 177.00 176.95 3i3t h LEU 484 N 3.75 0.27 0.00 -5.54 4.07 -1.96 -3.42 115.31 112.48 3i3t h LEU 484 Ca -0.49 -0.38 -0.16 0.00 0.08 0.00 0.00 57.88 56.92 3i3t h LEU 484 Cb 1.23 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 3i3t h LEU 484 CO 0.70 1.32 -1.56 0.00 -1.08 0.00 0.00 178.44 177.83 3i3t n GLN 485 N -3.37 0.22 -3.89 1.13 1.13 -1.26 -1.47 117.38 109.86 3i3t n GLN 485 Ca -0.14 0.09 -0.32 0.00 -1.94 0.00 0.00 57.00 54.68 3i3t n GLN 485 Cb 1.03 -0.93 -0.13 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.18 2.08 -0.18 -1.09 3.52 -1.26 -4.10 118.95 115.73 3i3t s ARG 486 Ca -0.14 -2.48 -0.10 0.00 -0.13 0.00 0.00 55.73 52.88 3i3t s ARG 486 Cb 0.05 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 3i3t s ARG 486 CO 0.18 -1.11 0.14 -1.17 -0.81 0.00 0.00 175.30 172.54 3i3t s LEU 487 N -0.04 4.24 -0.18 -0.88 2.96 0.49 -4.82 118.68 120.46 3i3t s LEU 487 Ca 0.16 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 3i3t s LEU 487 Cb -0.24 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.42 3i3t s LEU 487 CO -0.02 0.22 0.07 -0.55 -1.32 0.00 0.00 176.35 174.75 3i3t s SER 488 N 0.11 2.58 -0.21 3.68 0.15 -1.26 0.87 113.70 119.61 3i3t s SER 488 Ca 0.10 -0.70 0.12 0.00 0.70 0.00 0.00 55.95 56.17 3i3t s SER 488 Cb -0.11 -0.38 0.44 0.00 -1.71 0.00 0.00 66.02 64.26 3i3t s SER 488 CO -0.01 -0.34 1.20 0.00 1.20 0.00 0.00 173.24 175.29 3i3t n LEU 489 N 5.19 3.13 -0.20 3.45 -0.00 -0.96 -4.77 117.00 122.85 3i3t n LEU 489 Ca -0.08 -3.89 -0.01 0.00 -0.00 0.00 0.00 56.01 52.04 3i3t n LEU 489 Cb 0.48 -0.33 0.07 0.00 -0.00 0.00 0.00 43.42 43.64 3i3t n LEU 489 CO 0.11 1.50 0.78 1.23 -0.00 0.00 0.00 177.39 181.01 3i3t h GLY 490 N 1.49 0.51 1.08 1.47 0.00 -1.88 -0.41 103.07 105.34 3i3t h GLY 490 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3i3t h GLY 490 CO 0.26 -0.21 0.34 1.22 0.00 0.00 0.00 176.54 178.15 3i3t n ASP 491 N -5.35 0.29 -0.48 0.19 9.92 -1.26 -1.02 116.55 118.84 3i3t n ASP 491 Ca 0.07 0.51 0.05 0.00 -0.53 0.00 0.00 54.79 54.90 3i3t n ASP 491 Cb 0.32 -0.44 0.07 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.98 0.14 -2.92 1.24 3.72 -0.16 -5.03 117.46 112.47 3i3t n PHE 492 Ca -0.01 -0.16 -0.20 0.00 -0.05 0.00 0.00 57.45 57.04 3i3t n PHE 492 Cb 0.35 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.91 4.44 -0.23 4.37 0.00 -0.19 -0.82 121.76 128.42 3i3t s ALA 493 Ca 0.15 -1.91 0.12 0.00 0.00 0.00 0.00 51.96 50.32 3i3t s ALA 493 Cb 0.10 -1.64 0.45 0.00 0.00 0.00 0.00 23.12 22.03 3i3t s ALA 493 CO 0.14 -0.83 1.19 -1.13 0.00 0.00 0.00 175.76 175.13 3i3t n SER 494 N -2.26 3.10 -3.73 0.00 3.41 -0.94 -4.75 113.62 108.45 3i3t n SER 494 Ca 0.13 -3.46 -0.30 0.00 -0.26 0.00 0.00 58.87 54.99 3i3t n SER 494 Cb 0.61 -0.42 -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 -3.36 3.73 0.29 4.04 1.04 -1.26 -5.10 113.70 113.07 3i3t s SER 499 Ca 0.42 -2.52 -0.29 0.00 0.48 0.00 0.00 55.95 54.04 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 -0.03 -0.28 1.08 -2.16 0.98 0.00 0.00 173.24 172.83 3i3t s PRO 500 N 0.48 4.62 -0.14 4.02 0.04 -1.26 -4.82 135.00 137.94 3i3t s PRO 500 Ca 0.17 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.96 3i3t s PRO 500 Cb -0.24 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 3i3t s PRO 500 CO -0.02 0.22 -0.18 0.08 0.04 0.00 0.00 177.00 177.14 3i3t s VAL 501 N -1.21 2.53 0.19 -0.36 1.01 -1.26 -2.26 120.40 119.05 3i3t s VAL 501 Ca 0.45 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.69 3i3t s VAL 501 Cb -0.30 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3i3t s VAL 501 CO 0.39 0.53 -0.05 -0.31 0.00 0.00 0.00 175.10 175.66 3i3t s TYR 502 N 0.61 2.72 -0.03 5.22 2.02 0.25 0.40 117.35 128.55 3i3t s TYR 502 Ca -0.10 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3i3t s TYR 502 Cb -0.16 -1.30 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 3i3t s TYR 502 CO 0.03 0.53 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.28 3i3t s GLN 503 N -3.01 1.20 0.13 -0.62 0.74 -0.64 -0.38 119.66 117.09 3i3t s GLN 503 Ca 0.27 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 3i3t s GLN 503 Cb -0.09 -1.10 -0.07 0.00 1.10 0.00 0.00 33.01 32.86 3i3t s GLN 503 CO 0.17 0.17 1.14 -1.17 -0.55 0.00 0.00 175.29 175.05 3i3t s LEU 504 N 0.09 4.44 0.00 3.68 2.96 -0.55 -0.89 118.68 128.42 3i3t s LEU 504 Ca -0.02 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3i3t s LEU 504 Cb -0.09 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3i3t s LEU 504 CO 0.01 -0.32 0.00 0.00 -1.32 0.00 0.00 176.35 174.72 3i3t n TYR 505 N 2.98 0.00 -3.62 5.38 4.11 -0.66 -4.90 117.16 120.46 3i3t n TYR 505 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.82 3i3t n TYR 505 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.73 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 -0.73 -1.84 0.19 -3.48 0.00 -1.21 -0.44 121.76 114.26 3i3t s ALA 506 Ca 0.00 1.90 0.11 0.00 0.00 0.00 0.00 51.96 53.97 3i3t s ALA 506 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3i3t s ALA 506 CO 0.00 -0.31 -0.24 -0.51 0.00 0.00 0.00 175.76 174.70 3i3t s LEU 507 N 0.12 2.43 -0.18 0.00 1.02 0.01 -0.20 118.68 121.89 3i3t s LEU 507 Ca -0.00 -0.86 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 3i3t s LEU 507 Cb -0.04 -1.13 -0.02 0.00 0.02 0.00 0.00 46.19 45.01 3i3t s LEU 507 CO -0.00 0.11 -0.03 0.00 0.02 0.00 0.00 176.35 176.45 3i3t s ASN 509 N 0.73 4.63 -0.04 0.00 3.84 0.28 -0.50 114.94 123.88 3i3t s ASN 509 Ca -0.01 -0.24 0.04 0.00 0.21 0.00 0.00 52.86 52.85 3i3t s ASN 509 Cb -0.14 -1.02 -0.00 0.00 -0.55 0.00 0.00 41.25 39.54 3i3t s ASN 509 CO 0.02 0.22 -0.14 -2.28 -2.79 0.00 0.00 177.10 172.13 3i3t s HIS 510 N -1.15 1.46 -0.26 0.43 5.65 -1.26 -1.74 115.29 118.43 3i3t s HIS 510 Ca 0.21 -0.41 0.03 0.00 0.25 0.00 0.00 55.06 55.13 3i3t s HIS 510 Cb -0.11 -1.00 0.06 0.00 -1.18 0.00 0.00 32.58 30.35 3i3t s HIS 510 CO 0.12 -0.15 -0.10 0.45 -0.65 0.00 0.00 174.74 174.41 3i3t s SER 511 N 0.12 4.33 0.00 9.88 0.15 -0.33 -4.89 113.70 122.96 3i3t s SER 511 Ca -0.04 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.25 3i3t s SER 511 Cb -0.11 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3i3t s SER 511 CO 0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3i3t n GLY 512 N 4.48 -0.42 0.00 9.45 0.00 -1.26 -0.60 105.19 116.84 3i3t n GLY 512 Ca -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.65 -0.23 1.61 3.41 0.18 -4.95 113.62 114.30 3i3t n SER 513 Ca 0.00 -0.97 0.05 0.00 -0.26 0.00 0.00 58.87 57.69 3i3t n SER 513 Cb 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.97 1.06 0.00 -3.33 2.07 -1.94 -2.88 116.25 112.20 3i3t h VAL 514 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3i3t h VAL 514 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3i3t h VAL 514 CO 0.00 0.16 -1.04 1.41 0.02 0.00 0.00 177.57 178.12 3i3t n HIS 515 N -4.47 0.55 -3.61 1.57 8.25 -1.26 -4.98 115.22 111.27 3i3t n HIS 515 Ca 0.11 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3i3t n HIS 515 Cb 0.19 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.57 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 -3.28 -0.34 -1.73 4.41 -0.85 -1.09 -4.96 117.35 109.50 3i3t s TYR 516 Ca 0.01 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 3i3t s TYR 516 Cb 0.12 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.75 3i3t s TYR 516 CO 0.79 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 174.61 3i3t n GLY 517 N 0.37 -0.54 3.11 5.49 0.00 -1.26 0.51 105.19 112.86 3i3t n GLY 517 Ca -0.18 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.05 1.01 -0.09 1.61 2.46 0.23 -4.94 115.29 112.53 3i3t s HIS 518 Ca 0.00 -0.36 0.01 0.00 0.47 0.00 0.00 55.06 55.17 3i3t s HIS 518 Cb 0.00 -0.60 -0.03 0.00 -0.13 0.00 0.00 32.58 31.82 3i3t s HIS 518 CO 0.00 0.01 -0.09 0.71 -2.47 0.00 0.00 174.74 172.90 3i3t s TYR 519 N -0.91 2.89 0.25 3.88 2.02 -1.26 -1.19 117.35 123.04 3i3t s TYR 519 Ca -0.01 -0.14 0.09 0.00 -0.37 0.00 0.00 57.07 56.63 3i3t s TYR 519 Cb -0.08 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 3i3t s TYR 519 CO 0.01 0.18 -0.13 0.95 -1.57 0.00 0.00 175.55 174.99 3i3t s THR 520 N -0.47 1.93 -0.07 -0.71 -4.23 -0.71 -4.77 115.64 106.62 3i3t s THR 520 Ca 0.07 -2.24 0.04 0.00 -1.18 0.00 0.00 61.69 58.38 3i3t s THR 520 Cb -0.12 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 3i3t s THR 520 CO 0.02 -0.45 -0.20 0.00 -0.54 0.00 0.00 174.62 173.45 3i3t s ALA 521 N -2.84 2.39 -0.21 3.99 0.00 -0.93 -0.55 121.76 123.60 3i3t s ALA 521 Ca 0.27 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 3i3t s ALA 521 Cb -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 3i3t s ALA 521 CO 0.11 0.43 0.03 -0.51 0.00 0.00 0.00 175.76 175.82 3i3t s LEU 522 N -0.23 3.39 -0.02 0.00 1.43 -0.92 -0.51 118.68 121.82 3i3t s LEU 522 Ca -0.00 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3i3t s LEU 522 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3i3t s LEU 522 CO 0.03 0.05 -0.13 0.00 0.23 0.00 0.00 176.35 176.52 3i3t s ARG 524 N -0.09 4.62 0.11 0.00 3.52 0.42 -1.68 118.95 125.84 3i3t s ARG 524 Ca 0.01 1.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.93 3i3t s ARG 524 Cb -0.08 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3i3t s ARG 524 CO 0.00 0.20 0.03 0.00 -0.81 0.00 0.00 175.30 174.72 3i3t h GLN 526 N 0.00 0.86 -0.96 0.00 4.20 -2.03 -2.99 115.11 114.19 3i3t h GLN 526 Ca -0.08 -0.05 -0.60 0.00 0.06 0.00 0.00 58.65 57.98 3i3t h GLN 526 Cb 0.30 -0.19 -0.30 0.00 0.30 0.00 0.00 27.48 27.59 3i3t h GLN 526 CO 0.14 0.57 0.68 0.25 -0.67 0.00 0.00 178.83 179.79 3i3t n THR 527 N -4.51 3.39 -0.33 -0.54 -2.24 -1.26 -5.04 114.28 103.76 3i3t n THR 527 Ca 0.14 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.26 3i3t n THR 527 Cb 0.28 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.99 -1.87 3.91 3.38 0.00 -1.13 -5.03 105.19 103.46 3i3t n GLY 528 Ca 0.60 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 3.41 0.05 1.61 0.52 -1.26 -0.80 118.94 122.48 3i3t s TRP 529 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.23 3i3t s TRP 529 Cb 0.00 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3i3t s TRP 529 CO 0.00 0.53 -0.05 -1.01 0.02 0.00 0.00 176.95 176.43 3i3t s HIS 530 N -1.70 0.60 0.02 -1.98 3.76 -0.68 -3.03 115.29 112.29 3i3t s HIS 530 Ca 0.34 -0.78 -0.03 0.00 -0.15 0.00 0.00 55.06 54.44 3i3t s HIS 530 Cb -0.11 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 3i3t s HIS 530 CO 0.27 -0.20 0.22 0.08 -0.85 0.00 0.00 174.74 174.26 3i3t s VAL 531 N -2.70 5.37 -0.17 -0.90 1.01 0.32 -1.09 120.40 122.25 3i3t s VAL 531 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3i3t s VAL 531 Cb -0.01 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3i3t s VAL 531 CO -0.04 0.27 -0.11 -0.31 0.00 0.00 0.00 175.10 174.92 3i3t s TYR 532 N -1.38 2.10 -0.55 5.22 1.51 0.33 -2.15 117.35 122.43 3i3t s TYR 532 Ca 0.30 -1.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.12 3i3t s TYR 532 Cb -0.13 -1.52 0.15 0.00 -0.11 0.00 0.00 41.96 40.35 3i3t s TYR 532 CO 0.20 -0.67 0.36 1.21 -1.11 0.00 0.00 175.55 175.55 3i3t s ASN 533 N 1.51 3.75 0.93 2.29 2.47 0.51 -2.18 114.94 124.21 3i3t s ASN 533 Ca 0.02 -3.25 0.00 0.00 0.42 0.00 0.00 52.86 50.05 3i3t s ASN 533 Cb -0.14 -1.22 0.00 0.00 -1.45 0.00 0.00 41.25 38.43 3i3t s ASN 533 CO -0.09 -0.17 0.00 0.47 -3.72 0.00 0.00 177.10 173.59 3i3t n ASP 534 N 2.73 0.00 -0.02 -4.21 8.00 -1.26 -1.49 116.55 120.29 3i3t n ASP 534 Ca 0.17 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.82 3i3t n ASP 534 Cb 0.37 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.25 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 6.98 0.09 -4.63 -2.24 3.41 -0.78 -0.92 113.62 115.54 3i3t n SER 535 Ca 0.00 -0.43 -0.35 0.00 -0.26 0.00 0.00 58.87 57.83 3i3t n SER 535 Cb 0.00 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.41 3.60 -0.02 4.33 3.52 -0.56 -4.35 118.95 123.06 3i3t s ARG 536 Ca 0.33 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 3i3t s ARG 536 Cb 0.21 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.57 3i3t s ARG 536 CO 0.44 0.41 -0.11 0.08 -0.81 0.00 0.00 175.30 175.31 3i3t s VAL 537 N -0.05 0.94 -0.01 7.11 1.01 -1.26 -0.36 120.40 127.77 3i3t s VAL 537 Ca 0.05 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 3i3t s VAL 537 Cb -0.13 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.50 3i3t s VAL 537 CO 0.02 0.28 0.57 -0.94 0.00 0.00 0.00 175.10 175.03 3i3t s SER 538 N 0.05 -0.52 0.71 3.32 1.04 -0.91 -4.99 113.70 112.40 3i3t s SER 538 Ca -0.01 0.45 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 3i3t s SER 538 Cb -0.08 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3i3t s SER 538 CO 0.01 -0.62 1.12 -2.84 0.98 0.00 0.00 173.24 171.89 3i3t s PRO 539 N -1.60 2.48 -0.22 4.02 0.02 -1.26 -0.52 135.00 137.91 3i3t s PRO 539 Ca -0.10 1.38 -0.21 0.00 0.02 0.00 0.00 61.00 62.10 3i3t s PRO 539 Cb -0.01 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.66 3i3t s PRO 539 CO 0.05 -1.50 0.60 0.54 -0.33 0.00 0.00 177.00 176.36 3i3t s VAL 540 N -2.47 0.00 0.79 3.83 0.11 -1.17 -4.75 120.40 116.74 3i3t s VAL 540 Ca 0.66 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 3i3t s VAL 540 Cb -0.21 -0.83 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 3i3t s VAL 540 CO 0.47 -0.00 1.16 -0.94 -3.33 0.00 0.00 175.10 172.46 3i3t s SER 541 N 0.31 4.70 0.00 3.54 1.04 -1.26 -4.25 113.70 117.77 3i3t s SER 541 Ca -0.00 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.30 3i3t s SER 541 Cb -0.04 -1.40 0.10 0.00 0.10 0.00 0.00 66.02 64.78 3i3t s SER 541 CO 0.01 -1.79 1.01 1.21 0.98 0.00 0.00 173.24 174.66 3i3t n GLU 542 N -3.25 0.01 -0.09 4.02 0.00 -1.26 -2.11 120.64 117.96 3i3t n GLU 542 Ca 0.08 0.40 -0.18 0.00 0.00 0.00 0.00 57.16 57.45 3i3t n GLU 542 Cb 0.60 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.43 1.90 0.17 4.31 2.85 -1.26 -2.50 115.26 119.30 3i3t n ASN 543 Ca 0.01 -0.02 0.02 0.00 -0.11 0.00 0.00 54.58 54.47 3i3t n ASN 543 Cb 0.02 -0.46 0.34 0.00 1.24 0.00 0.00 39.78 40.92 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 0.02 0.04 -0.08 1.20 4.20 -1.84 -2.62 115.11 116.02 3i3t h GLN 544 Ca -0.53 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.11 3i3t h GLN 544 Cb 1.96 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.74 3i3t h GLN 544 CO -0.03 0.41 -0.17 -0.24 -0.67 0.00 0.00 178.83 178.13 3i3t h VAL 545 N 0.03 1.40 -0.10 -0.54 3.04 -1.55 -3.05 116.25 115.49 3i3t h VAL 545 Ca 0.00 -1.48 0.03 0.00 -1.01 0.00 0.00 66.70 64.24 3i3t h VAL 545 Cb 0.68 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 32.12 3i3t h VAL 545 CO 0.05 0.42 0.09 0.00 -1.01 0.00 0.00 177.57 177.12 3i3t h ALA 546 N 0.50 1.85 -0.23 3.17 0.00 -1.43 -2.44 119.26 120.67 3i3t h ALA 546 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3t h ALA 546 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3i3t h ALA 546 CO 0.04 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3i3t n SER 547 N -4.10 2.73 -4.67 0.00 3.41 -1.00 -4.70 113.62 105.30 3i3t n SER 547 Ca -0.00 -1.80 -0.36 0.00 -0.26 0.00 0.00 58.87 56.44 3i3t n SER 547 Cb 0.20 -0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.09 3i3t n SER 547 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i3t n SER 548 N 0.88 1.24 -0.04 4.04 7.64 -0.92 -4.96 113.62 121.50 3i3t n SER 548 Ca 0.12 0.74 -0.11 0.00 1.01 0.00 0.00 58.87 60.63 3i3t n SER 548 Cb 0.43 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.10 3i3t n SER 548 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3i3t h GLU 549 N 0.09 0.21 -2.15 1.43 4.81 -1.92 -3.47 114.58 113.59 3i3t h GLU 549 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3i3t h GLU 549 Cb 1.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3i3t h GLU 549 CO 0.50 0.36 -0.51 0.41 -0.73 0.00 0.00 179.01 179.05 3i3t n GLY 550 N -0.53 -4.17 1.28 1.92 0.00 -1.26 -4.73 105.19 97.70 3i3t n GLY 550 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.18 -0.06 -4.05 1.61 9.36 0.34 -4.88 117.16 119.31 3i3t n TYR 551 Ca 0.00 0.01 -0.34 0.00 3.32 0.00 0.00 57.90 60.89 3i3t n TYR 551 Cb 0.00 0.14 -0.15 0.00 -0.63 0.00 0.00 39.34 38.70 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 -2.00 2.47 -0.18 2.97 1.01 -1.01 -0.74 120.40 122.91 3i3t s VAL 552 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3i3t s VAL 552 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3i3t s VAL 552 CO 0.00 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 174.85 3i3t s LEU 553 N 1.35 3.37 -0.43 3.92 1.43 0.39 -0.10 118.68 128.62 3i3t s LEU 553 Ca 0.05 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3i3t s LEU 553 Cb -0.13 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.29 3i3t s LEU 553 CO -0.10 0.11 0.31 -0.36 0.23 0.00 0.00 176.35 176.55 3i3t s PHE 554 N 0.70 3.26 -0.06 0.29 0.40 0.72 -1.06 117.98 122.23 3i3t s PHE 554 Ca 0.00 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 3i3t s PHE 554 Cb -0.14 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 3i3t s PHE 554 CO 0.02 -0.72 -0.06 0.71 0.70 0.00 0.00 175.22 175.87 3i3t s TYR 555 N 1.60 2.97 -0.10 0.36 2.02 0.13 -1.65 117.35 122.67 3i3t s TYR 555 Ca 0.04 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 3i3t s TYR 555 Cb -0.22 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3i3t s TYR 555 CO 0.07 0.36 -0.20 1.14 -1.57 0.00 0.00 175.55 175.34 3i3t s GLN 556 N -0.89 3.05 0.12 -0.62 -2.07 -0.07 -0.12 119.66 119.05 3i3t s GLN 556 Ca 0.13 -0.82 -0.34 0.00 -1.82 0.00 0.00 55.36 52.52 3i3t s GLN 556 Cb -0.11 -2.38 -0.13 0.00 -1.09 0.00 0.00 33.01 29.29 3i3t s GLN 556 CO 0.02 0.24 1.64 1.28 -1.32 0.00 0.00 175.29 177.16 3i3t n LEU 557 N 3.37 3.19 -0.79 2.60 4.77 -0.17 -1.62 117.00 128.35 3i3t n LEU 557 Ca -0.18 1.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 3i3t n LEU 557 Cb 0.53 -1.42 0.25 0.00 -2.33 0.00 0.00 43.42 40.44 3i3t n LEU 557 CO 0.28 -0.23 0.71 0.23 -1.33 0.00 0.00 177.39 177.06