#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fby s SER 224 N 0.00 6.20 0.57 0.53 1.04 -1.26 -5.04 113.70 115.74 3fby s SER 224 Ca 0.00 2.86 -0.01 0.00 0.48 0.00 0.00 55.95 59.28 3fby s SER 224 Cb 0.00 -2.65 0.06 0.00 0.10 0.00 0.00 66.02 63.53 3fby s SER 224 CO 0.00 -0.95 0.41 0.00 0.98 0.00 0.00 173.24 173.68 3fby n ALA 225 N 0.15 0.00 -2.64 5.32 0.00 -1.26 -5.06 120.51 117.03 3fby n ALA 225 Ca 0.03 -0.77 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 3fby n ALA 225 Cb 0.42 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 3fby n ALA 225 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fby s GLN 226 N -3.54 4.54 0.16 0.00 -0.21 -1.26 -5.06 119.66 114.29 3fby s GLN 226 Ca 0.27 1.27 0.01 0.00 0.02 0.00 0.00 55.36 56.93 3fby s GLN 226 Cb -0.01 -3.44 0.03 0.00 1.00 0.00 0.00 33.01 30.58 3fby s GLN 226 CO 0.18 0.03 0.21 2.89 -2.12 0.00 0.00 175.29 176.48 3fby n ARG 227 N 3.66 0.63 -3.68 2.91 1.85 -1.26 -4.96 116.66 115.81 3fby n ARG 227 Ca 0.03 -0.67 -0.22 0.00 -1.00 0.00 0.00 57.85 56.00 3fby n ARG 227 Cb 0.51 -0.12 -0.03 0.00 -1.05 0.00 0.00 32.46 31.77 3fby n ARG 227 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fby s PHE 228 N -0.26 2.54 0.53 2.89 0.08 -1.26 -2.50 117.98 120.00 3fby s PHE 228 Ca 0.15 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 3fby s PHE 228 Cb -0.01 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3fby s PHE 228 CO 0.10 -0.14 0.84 0.00 -0.10 0.00 0.00 175.22 175.92 3fby h PRO 230 N 0.06 0.36 -0.00 0.00 0.11 -1.88 1.14 132.00 131.79 3fby h PRO 230 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fby h PRO 230 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fby h PRO 230 CO 0.61 0.24 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.22 3fby n ASP 231 N -4.62 0.03 0.00 -2.05 5.75 -1.26 -4.92 116.55 109.48 3fby n ASP 231 Ca 0.26 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 3fby n ASP 231 Cb 0.91 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3fby n ASP 231 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 232 N 1.46 0.58 3.84 6.12 0.00 0.39 -5.08 105.19 112.51 3fby n GLY 232 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3fby n GLY 232 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fby s SER 233 N -2.95 6.73 0.27 1.61 1.04 -1.26 -4.74 113.70 114.39 3fby s SER 233 Ca 0.00 1.51 -0.29 0.00 0.48 0.00 0.00 55.95 57.64 3fby s SER 233 Cb 0.00 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 3fby s SER 233 CO 0.00 -0.44 1.24 -2.16 0.98 0.00 0.00 173.24 172.86 3fby s PRO 234 N -3.62 4.46 -0.47 4.02 0.04 -1.26 -0.55 135.00 137.63 3fby s PRO 234 Ca 0.58 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 3fby s PRO 234 Cb -0.10 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.32 3fby s PRO 234 CO 0.24 -0.08 1.14 0.45 0.04 0.00 0.00 177.00 178.79 3fby s SER 235 N -0.31 6.64 0.00 6.66 0.15 -1.04 -4.72 113.70 121.08 3fby s SER 235 Ca 0.50 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.66 3fby s SER 235 Cb -0.36 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 3fby s SER 235 CO 0.44 -1.24 0.60 -0.62 1.20 0.00 0.00 173.24 173.62 3fby n GLU 236 N 7.80 0.69 -2.14 5.44 1.02 -1.26 -4.81 120.64 127.38 3fby n GLU 236 Ca 0.12 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 3fby n GLU 236 Cb 0.49 -1.09 0.07 0.00 -0.02 0.00 0.00 31.44 30.89 3fby n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fby s HIS 238 N -3.29 1.82 0.31 0.00 2.46 0.25 -4.91 115.29 111.93 3fby s HIS 238 Ca 0.60 1.75 0.04 0.00 0.47 0.00 0.00 55.06 57.91 3fby s HIS 238 Cb -0.11 -3.29 0.66 0.00 -0.13 0.00 0.00 32.58 29.71 3fby s HIS 238 CO 0.46 -2.60 1.84 1.49 -2.47 0.00 0.00 174.74 173.46 3fby h GLU 239 N -1.70 0.85 -0.76 2.88 4.81 -1.88 -2.33 114.58 116.44 3fby h GLU 239 Ca -0.43 -0.05 -0.46 0.00 -0.13 0.00 0.00 59.36 58.28 3fby h GLU 239 Cb 1.26 -0.19 -0.26 0.00 0.63 0.00 0.00 28.75 30.19 3fby h GLU 239 CO 0.44 0.56 0.27 0.72 -0.73 0.00 0.00 179.01 180.27 3fby n HIS 240 N -4.62 2.46 -4.56 0.92 8.25 -1.26 -4.96 115.22 111.45 3fby n HIS 240 Ca 0.19 -2.16 -0.26 0.00 -0.26 0.00 0.00 57.72 55.23 3fby n HIS 240 Cb 0.42 -0.86 -0.11 0.00 1.12 0.00 0.00 29.99 30.56 3fby n HIS 240 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fby s ALA 241 N -3.48 2.89 -0.07 -1.41 0.00 -0.88 -0.38 121.76 118.44 3fby s ALA 241 Ca 0.55 -2.21 0.05 0.00 0.00 0.00 0.00 51.96 50.35 3fby s ALA 241 Cb 0.46 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3fby s ALA 241 CO 0.03 -0.16 -0.22 -0.51 0.00 0.00 0.00 175.76 174.90 3fby s ASP 242 N -3.63 3.34 -0.34 0.00 1.01 0.25 -4.77 116.67 112.53 3fby s ASP 242 Ca 0.35 -0.44 -0.22 0.00 0.71 0.00 0.00 52.55 52.95 3fby s ASP 242 Cb 0.09 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 43.06 3fby s ASP 242 CO 0.17 0.25 0.72 0.00 0.21 0.00 0.00 175.17 176.52 3fby s VAL 244 N 2.89 1.88 -0.33 0.00 -7.23 -0.18 -4.42 120.40 113.00 3fby s VAL 244 Ca 0.29 -1.15 -0.23 0.00 -1.81 0.00 0.00 61.98 59.07 3fby s VAL 244 Cb -0.14 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3fby s VAL 244 CO 0.15 0.40 0.77 -0.76 -0.31 0.00 0.00 175.10 175.35 3fby s LEU 245 N -0.89 4.11 0.69 1.32 1.43 -1.26 -0.16 118.68 123.92 3fby s LEU 245 Ca 0.09 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.53 3fby s LEU 245 Cb -0.09 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3fby s LEU 245 CO 0.01 -0.66 1.23 -1.61 0.23 0.00 0.00 176.35 175.55 3fby s GLU 246 N 3.00 2.35 0.16 1.70 0.41 0.26 -4.82 118.70 121.75 3fby s GLU 246 Ca 0.31 1.85 -0.02 0.00 -0.41 0.00 0.00 54.97 56.71 3fby s GLU 246 Cb -0.14 -1.85 0.32 0.00 -1.78 0.00 0.00 34.13 30.68 3fby s GLU 246 CO 0.14 -1.70 0.83 -2.13 -0.49 0.00 0.00 175.26 171.92 3fby n ARG 247 N -2.36 -0.05 0.00 1.61 0.63 -1.26 0.16 116.66 115.39 3fby n ARG 247 Ca 0.14 0.82 0.14 0.00 -0.92 0.00 0.00 57.85 58.03 3fby n ARG 247 Cb 0.50 -1.25 0.63 0.00 0.45 0.00 0.00 32.46 32.79 3fby n ARG 247 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3fby n ASP 248 N -4.76 0.63 0.00 6.15 3.85 -1.26 -4.93 116.55 116.22 3fby n ASP 248 Ca 0.10 -0.84 0.00 0.00 -0.71 0.00 0.00 54.79 53.34 3fby n ASP 248 Cb 0.33 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 3fby n ASP 248 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fby n GLY 249 N 1.22 2.35 3.50 6.12 0.00 0.42 -5.09 105.19 113.70 3fby n GLY 249 Ca 0.17 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3fby n GLY 249 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fby n SER 250 N 0.16 -0.79 -4.79 1.61 3.41 -1.26 -4.31 113.62 107.65 3fby n SER 250 Ca 0.00 0.61 -0.28 0.00 -0.26 0.00 0.00 58.87 58.94 3fby n SER 250 Cb 0.00 -1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 62.63 3fby n SER 250 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fby s ARG 251 N -2.91 2.92 0.00 4.33 1.70 -1.26 0.93 118.95 124.65 3fby s ARG 251 Ca 0.67 -0.78 0.03 0.00 -0.47 0.00 0.00 55.73 55.19 3fby s ARG 251 Cb -0.35 -2.70 -0.01 0.00 -0.57 0.00 0.00 34.95 31.32 3fby s ARG 251 CO 0.56 0.52 -0.10 -1.12 -1.08 0.00 0.00 175.30 174.08 3fby s SER 252 N -2.78 1.20 -0.27 -2.89 0.01 0.77 -4.88 113.70 104.87 3fby s SER 252 Ca 0.30 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 3fby s SER 252 Cb -0.11 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 3fby s SER 252 CO 0.23 0.09 0.31 0.00 0.41 0.00 0.00 173.24 174.28 3fby s VAL 254 N 1.90 1.73 0.44 0.00 0.11 0.42 -3.85 120.40 121.15 3fby s VAL 254 Ca 0.13 -0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 58.12 3fby s VAL 254 Cb -0.16 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.07 3fby s VAL 254 CO 0.10 0.49 1.40 0.00 -3.33 0.00 0.00 175.10 173.76 3fby s ALA 256 N -1.18 2.70 0.08 0.00 0.00 0.49 -4.76 121.76 119.08 3fby s ALA 256 Ca 0.60 0.08 -0.37 0.00 0.00 0.00 0.00 51.96 52.27 3fby s ALA 256 Cb -0.47 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.31 3fby s ALA 256 CO 0.58 -1.20 1.28 1.55 0.00 0.00 0.00 175.76 177.97 3fby n VAL 257 N -3.11 0.07 -0.01 0.00 3.14 -1.26 -1.48 118.33 115.67 3fby n VAL 257 Ca 0.07 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3fby n VAL 257 Cb 0.54 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 3fby n VAL 257 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fby n GLY 258 N 2.32 0.47 3.28 7.55 0.00 -1.26 -4.20 105.19 113.34 3fby n GLY 258 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3fby n GLY 258 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fby s TRP 259 N -2.16 1.60 0.03 1.61 0.52 -0.55 -0.10 118.94 119.88 3fby s TRP 259 Ca 0.00 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.56 3fby s TRP 259 Cb 0.00 -0.83 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 3fby s TRP 259 CO 0.00 0.22 0.11 0.00 0.02 0.00 0.00 176.95 177.30 3fby s ALA 260 N -1.95 -0.16 0.00 0.98 0.00 0.13 -4.60 121.76 116.17 3fby s ALA 260 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3fby s ALA 260 Cb -0.06 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3fby s ALA 260 CO 0.04 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3fby n GLY 261 N 1.00 -0.39 0.87 0.00 0.00 -1.25 -0.86 105.19 104.57 3fby n GLY 261 Ca -0.20 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.64 3fby n GLY 261 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fby n ASN 262 N 0.00 0.98 0.00 1.61 0.23 -0.79 -4.70 115.26 112.59 3fby n ASN 262 Ca 0.00 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.60 3fby n ASN 262 Cb 0.00 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 3fby n ASN 262 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fby n GLY 263 N -0.16 2.94 0.26 4.83 0.00 -1.25 -4.64 105.19 107.18 3fby n GLY 263 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3fby n GLY 263 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fby n ILE 264 N -2.00 1.26 -3.83 -0.61 5.41 -1.26 0.87 119.36 119.21 3fby n ILE 264 Ca 0.00 -0.35 -0.35 0.00 1.00 0.00 0.00 62.75 63.05 3fby n ILE 264 Cb 0.00 -1.73 -0.10 0.00 -0.71 0.00 0.00 39.64 37.10 3fby n ILE 264 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fby s LEU 265 N -7.10 3.92 0.04 1.39 2.01 -1.26 -3.77 118.68 113.92 3fby s LEU 265 Ca -0.32 0.07 0.02 0.00 0.01 0.00 0.00 54.13 53.92 3fby s LEU 265 Cb 0.12 -2.02 -0.02 0.00 0.01 0.00 0.00 46.19 44.27 3fby s LEU 265 CO 0.42 0.11 -0.07 0.00 1.01 0.00 0.00 176.35 177.82 3fby s GLY 267 N -1.65 1.21 0.21 0.00 0.00 -0.04 -4.90 107.32 102.15 3fby s GLY 267 Ca -0.09 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.79 3fby s GLY 267 CO -0.00 -1.29 1.40 -1.60 0.00 0.00 0.00 173.10 171.61 3fby s ARG 268 N -4.11 4.31 -0.53 2.90 6.06 -1.26 0.22 118.95 126.53 3fby s ARG 268 Ca 0.33 2.21 0.00 0.00 -2.50 0.00 0.00 55.73 55.77 3fby s ARG 268 Cb 0.06 -3.15 0.14 0.00 0.06 0.00 0.00 34.95 32.06 3fby s ARG 268 CO 0.09 -0.38 0.30 0.34 -2.50 0.00 0.00 175.30 173.15 3fby s ASP 269 N 0.48 4.85 0.06 -2.12 2.15 0.86 -0.85 116.67 122.10 3fby s ASP 269 Ca 0.60 -2.73 -0.28 0.00 0.43 0.00 0.00 52.55 50.57 3fby s ASP 269 Cb -0.40 -1.75 -0.17 0.00 -0.30 0.00 0.00 42.92 40.30 3fby s ASP 269 CO 0.39 -0.34 1.59 0.74 -0.17 0.00 0.00 175.17 177.38 3fby h THR 270 N 5.65 0.66 0.00 1.71 2.02 -1.82 -2.44 112.91 118.69 3fby h THR 270 Ca -0.06 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3fby h THR 270 Cb 0.95 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3fby h THR 270 CO 0.68 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.70 3fby n ASP 271 N -5.27 0.01 -3.47 4.18 5.68 -1.25 -4.75 116.55 111.69 3fby n ASP 271 Ca -0.10 -1.99 -0.25 0.00 -0.50 0.00 0.00 54.79 51.94 3fby n ASP 271 Cb 0.23 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 3fby n ASP 271 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fby n LEU 272 N -0.49 -2.08 -1.00 -2.12 4.77 -0.92 -4.59 117.00 110.57 3fby n LEU 272 Ca 0.00 -0.49 0.10 0.00 -0.03 0.00 0.00 56.01 55.59 3fby n LEU 272 Cb 0.00 -2.43 0.19 0.00 -2.33 0.00 0.00 43.42 38.86 3fby n LEU 272 CO 0.00 0.27 0.66 -0.90 -1.33 0.00 0.00 177.39 176.09 3fby n ASP 273 N -2.51 3.24 0.00 -1.43 5.75 -1.26 -4.78 116.55 115.56 3fby n ASP 273 Ca -0.02 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3fby n ASP 273 Cb 0.55 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3fby n ASP 273 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 274 N 1.24 0.66 3.07 6.12 0.00 -1.26 -4.43 105.19 110.58 3fby n GLY 274 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3fby n GLY 274 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fby s PHE 275 N -2.38 1.92 0.46 1.61 0.08 -1.26 -4.55 117.98 113.85 3fby s PHE 275 Ca 0.00 -0.83 -0.25 0.00 0.12 0.00 0.00 56.93 55.97 3fby s PHE 275 Cb 0.00 -1.36 -0.08 0.00 -0.57 0.00 0.00 43.02 41.00 3fby s PHE 275 CO 0.00 -0.40 1.43 -0.35 -0.10 0.00 0.00 175.22 175.80 3fby n PRO 276 N 3.96 2.24 -0.06 0.24 -0.04 -1.26 -4.47 135.00 135.61 3fby n PRO 276 Ca -0.20 0.80 0.23 0.00 -0.04 0.00 0.00 63.50 64.28 3fby n PRO 276 Cb 0.52 -2.63 0.70 0.00 -0.04 0.00 0.00 33.50 32.04 3fby n PRO 276 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3fby h ASP 277 N 2.26 0.00 -4.41 3.54 5.19 -1.30 0.02 116.42 121.71 3fby h ASP 277 Ca -0.51 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.66 3fby h ASP 277 Cb 1.27 -0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.54 3fby h ASP 277 CO 0.61 0.00 -0.72 -0.70 -3.12 0.00 0.00 179.24 175.31 3fby s GLU 278 N -5.01 0.31 0.41 3.56 2.56 -1.26 -4.56 118.70 114.72 3fby s GLU 278 Ca -0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 54.97 54.26 3fby s GLU 278 Cb 0.20 -0.12 -0.11 0.00 2.00 0.00 0.00 34.13 36.10 3fby s GLU 278 CO 0.74 0.02 1.03 1.17 -0.56 0.00 0.00 175.26 177.67 3fby n LYS 279 N 2.19 1.40 -4.24 4.30 4.81 -1.26 -4.59 118.16 120.77 3fby n LYS 279 Ca -0.19 0.50 -0.23 0.00 -0.87 0.00 0.00 58.31 57.53 3fby n LYS 279 Cb 0.57 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 3fby n LYS 279 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3fby s LEU 280 N -0.56 3.31 -1.11 3.14 1.02 0.21 -4.92 118.68 119.76 3fby s LEU 280 Ca 0.63 -0.59 -0.07 0.00 0.02 0.00 0.00 54.13 54.11 3fby s LEU 280 Cb -0.56 -1.83 0.28 0.00 0.02 0.00 0.00 46.19 44.10 3fby s LEU 280 CO 0.57 -0.05 1.28 -1.14 0.02 0.00 0.00 176.35 177.04 3fby n ARG 281 N -0.98 3.89 -3.73 1.70 0.63 -1.26 -4.68 116.66 112.23 3fby n ARG 281 Ca -0.06 -4.45 -0.10 0.00 -0.92 0.00 0.00 57.85 52.32 3fby n ARG 281 Cb 0.59 -2.56 -0.04 0.00 0.45 0.00 0.00 32.46 30.90 3fby n ARG 281 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fby n PRO 283 N -0.30 0.21 -1.66 0.00 -0.02 -1.26 -4.80 135.00 127.17 3fby n PRO 283 Ca -0.11 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 3fby n PRO 283 Cb 0.63 -1.76 0.04 0.00 -0.02 0.00 0.00 33.50 32.39 3fby n PRO 283 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3fby s GLU 284 N -3.10 3.09 0.25 -0.52 1.03 -1.26 -4.93 118.70 113.25 3fby s GLU 284 Ca 0.10 0.94 -0.04 0.00 0.03 0.00 0.00 54.97 56.01 3fby s GLU 284 Cb 0.13 -2.01 0.45 0.00 -0.80 0.00 0.00 34.13 31.90 3fby s GLU 284 CO 0.56 -0.98 1.77 -0.09 -1.33 0.00 0.00 175.26 175.18 3fby h ARG 285 N -0.56 0.59 -0.25 -4.83 2.43 -1.96 -1.69 114.38 108.11 3fby h ARG 285 Ca -0.44 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3fby h ARG 285 Cb 1.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3fby h ARG 285 CO 0.58 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 179.43 3fby n GLN 286 N -4.88 1.44 0.07 0.20 0.00 -1.26 -2.64 117.38 110.31 3fby n GLN 286 Ca 0.14 -0.62 0.12 0.00 0.00 0.00 0.00 57.00 56.65 3fby n GLN 286 Cb 0.37 -1.19 0.07 0.00 0.00 0.00 0.00 30.24 29.49 3fby n GLN 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3fby s ARG 288 N -3.25 3.21 0.22 0.00 3.03 -1.08 0.65 118.95 121.73 3fby s ARG 288 Ca 0.03 1.34 -0.31 0.00 2.03 0.00 0.00 55.73 58.82 3fby s ARG 288 Cb 0.12 -2.01 -0.10 0.00 -1.03 0.00 0.00 34.95 31.93 3fby s ARG 288 CO 0.77 -0.91 1.53 0.21 -1.13 0.00 0.00 175.30 175.76 3fby s LYS 289 N -3.88 4.22 0.23 3.89 2.20 -1.26 -4.20 119.74 120.94 3fby s LYS 289 Ca 0.66 2.37 -0.31 0.00 -0.36 0.00 0.00 55.97 58.33 3fby s LYS 289 Cb -0.19 -3.12 -0.14 0.00 -1.51 0.00 0.00 37.83 32.88 3fby s LYS 289 CO 0.35 -0.54 1.35 -3.47 -0.36 0.00 0.00 175.35 172.68 3fby n ASP 290 N 3.07 2.48 -0.85 1.43 -0.08 -0.01 -4.91 116.55 117.68 3fby n ASP 290 Ca 0.10 1.14 0.09 0.00 -1.51 0.00 0.00 54.79 54.62 3fby n ASP 290 Cb 0.39 -1.39 0.25 0.00 2.34 0.00 0.00 41.12 42.71 3fby n ASP 290 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3fby n ASN 291 N 2.09 2.48 -3.38 1.67 6.94 -1.26 -4.25 115.26 119.55 3fby n ASN 291 Ca 0.12 -1.93 -0.18 0.00 -0.02 0.00 0.00 54.58 52.57 3fby n ASN 291 Cb 0.30 -0.26 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 3fby n ASN 291 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fby h VAL 293 N 5.37 1.12 0.00 0.00 2.07 -1.95 -3.21 116.25 119.64 3fby h VAL 293 Ca 0.00 -0.26 -0.31 0.00 0.82 0.00 0.00 66.70 66.96 3fby h VAL 293 Cb 1.05 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3fby h VAL 293 CO 0.24 0.14 -2.24 0.35 0.02 0.00 0.00 177.57 176.08 3fby n THR 294 N -4.46 1.15 -2.86 2.57 -2.24 -1.26 -3.75 114.28 103.44 3fby n THR 294 Ca 0.06 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3fby n THR 294 Cb 0.09 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 3fby n THR 294 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fby s VAL 295 N -2.54 4.86 -0.26 2.28 1.01 -1.21 -4.59 120.40 119.95 3fby s VAL 295 Ca -0.09 1.67 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 3fby s VAL 295 Cb 0.06 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3fby s VAL 295 CO 0.77 -0.00 1.92 -2.16 0.00 0.00 0.00 175.10 175.63 3fby s PRO 296 N 2.31 3.36 -0.57 2.72 0.04 -1.26 -4.69 135.00 136.91 3fby s PRO 296 Ca 0.39 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.20 3fby s PRO 296 Cb -0.16 -4.23 0.20 0.00 0.04 0.00 0.00 34.50 30.34 3fby s PRO 296 CO 0.12 -1.83 0.51 0.27 0.04 0.00 0.00 177.00 176.11 3fby n ASN 297 N 10.39 1.82 0.19 6.66 6.94 -1.26 -4.94 115.26 135.06 3fby n ASN 297 Ca 0.25 -2.96 0.14 0.00 -0.02 0.00 0.00 54.58 51.99 3fby n ASN 297 Cb 0.46 -0.67 0.64 0.00 -2.36 0.00 0.00 39.78 37.85 3fby n ASN 297 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3fby h SER 298 N 5.02 0.00 0.47 0.53 4.64 -1.91 0.52 113.55 122.82 3fby h SER 298 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3fby h SER 298 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3fby h SER 298 CO 0.61 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 177.12 3fby n GLY 299 N -0.52 -1.12 2.35 -0.77 0.00 -1.26 -4.93 105.19 98.94 3fby n GLY 299 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3fby n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fby n GLN 300 N -1.13 -2.85 -1.80 1.61 1.13 0.18 -4.85 117.38 109.67 3fby n GLN 300 Ca 0.14 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.78 3fby n GLN 300 Cb 0.26 -4.18 -0.03 0.00 0.11 0.00 0.00 30.24 26.40 3fby n GLN 300 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fby s GLU 301 N -4.63 4.16 -0.34 -1.09 8.01 -1.26 -4.87 118.70 118.68 3fby s GLU 301 Ca 0.00 2.48 -0.01 0.00 0.01 0.00 0.00 54.97 57.45 3fby s GLU 301 Cb 0.00 -3.69 0.12 0.00 -4.31 0.00 0.00 34.13 26.25 3fby s GLU 301 CO 0.00 -0.82 0.17 0.34 0.01 0.00 0.00 175.26 174.96 3fby s ASP 302 N 2.85 3.46 0.16 -0.19 2.15 -1.26 -0.35 116.67 123.48 3fby s ASP 302 Ca 0.79 -1.89 -0.14 0.00 0.43 0.00 0.00 52.55 51.75 3fby s ASP 302 Cb -0.43 -0.58 0.04 0.00 -0.30 0.00 0.00 42.92 41.65 3fby s ASP 302 CO 0.35 -0.36 1.72 0.58 -0.17 0.00 0.00 175.17 177.29 3fby h VAL 303 N 5.76 1.21 -0.70 1.11 2.07 -1.85 -2.58 116.25 121.28 3fby h VAL 303 Ca -0.07 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.66 3fby h VAL 303 Cb 0.98 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 3fby h VAL 303 CO 0.39 0.25 0.19 -0.90 0.02 0.00 0.00 177.57 177.52 3fby n ASP 304 N -4.55 5.16 -4.30 0.57 5.75 -1.21 -4.94 116.55 113.03 3fby n ASP 304 Ca 0.02 -3.12 -0.39 0.00 -0.01 0.00 0.00 54.79 51.29 3fby n ASP 304 Cb 0.15 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.43 3fby n ASP 304 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3fby n ARG 305 N 0.11 -0.74 0.00 0.11 0.00 -0.97 -4.74 116.66 110.43 3fby n ARG 305 Ca 0.37 0.13 0.13 0.00 -0.00 0.00 0.00 57.85 58.48 3fby n ARG 305 Cb 1.34 -4.30 0.44 0.00 -0.00 0.00 0.00 32.46 29.94 3fby n ARG 305 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3fby n ASP 306 N -2.21 1.12 0.00 2.89 5.68 -1.26 -4.90 116.55 117.86 3fby n ASP 306 Ca 0.10 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 3fby n ASP 306 Cb 0.42 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3fby n ASP 306 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fby n GLY 307 N 1.28 1.32 3.69 6.12 0.00 -1.26 -5.06 105.19 111.28 3fby n GLY 307 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3fby n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fby s ILE 308 N -2.32 4.93 0.39 -0.61 1.01 -1.26 -4.81 121.20 118.53 3fby s ILE 308 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3fby s ILE 308 Cb 0.00 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 3fby s ILE 308 CO 0.00 0.49 1.23 0.61 0.00 0.00 0.00 174.94 177.27 3fby n GLY 309 N 3.17 0.41 0.34 6.18 0.00 0.14 -4.68 105.19 110.75 3fby n GLY 309 Ca -0.17 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3fby n GLY 309 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fby h ASP 310 N 2.13 0.50 0.00 1.61 3.32 -1.02 -1.15 116.42 121.80 3fby h ASP 310 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3fby h ASP 310 Cb 1.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3fby h ASP 310 CO 0.60 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 178.44 3fby n ALA 311 N -2.48 1.66 -1.79 3.45 0.00 -1.26 -2.82 120.51 117.26 3fby n ALA 311 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 3fby n ALA 311 Cb 0.26 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3fby n ALA 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fby s ASP 313 N -0.07 6.27 0.15 0.00 -1.08 -0.52 -4.92 116.67 116.51 3fby s ASP 313 Ca 0.00 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 51.81 3fby s ASP 313 Cb 0.00 -2.27 0.56 0.00 -1.46 0.00 0.00 42.92 39.75 3fby s ASP 313 CO 0.00 -0.59 1.31 -0.81 0.52 0.00 0.00 175.17 175.61 3fby n PRO 314 N 5.82 0.07 -3.09 4.34 -0.04 -1.26 -2.49 135.00 138.35 3fby n PRO 314 Ca -0.05 0.56 -0.19 0.00 -0.04 0.00 0.00 63.50 63.79 3fby n PRO 314 Cb 0.48 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3fby n PRO 314 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3fby n ASP 315 N -1.86 -0.34 -0.33 3.54 4.64 -1.26 -2.65 116.55 118.29 3fby n ASP 315 Ca -0.01 -2.94 0.36 0.00 -1.38 0.00 0.00 54.79 50.82 3fby n ASP 315 Cb 0.02 -0.06 0.69 0.00 -1.04 0.00 0.00 41.12 40.73 3fby n ASP 315 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fby h ALA 316 N 3.69 3.12 -0.01 -1.67 0.00 -1.71 0.31 119.26 123.00 3fby h ALA 316 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fby h ALA 316 Cb 0.94 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fby h ALA 316 CO 0.43 -1.67 -0.15 -0.40 0.00 0.00 0.00 179.25 177.46 3fby n ASP 317 N -3.80 1.27 -1.79 0.00 5.75 -1.22 -3.35 116.55 113.41 3fby n ASP 317 Ca 0.27 -1.14 -0.15 0.00 -0.01 0.00 0.00 54.79 53.76 3fby n ASP 317 Cb 1.42 0.37 -0.00 0.00 -1.03 0.00 0.00 41.12 41.89 3fby n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 318 N 0.78 -0.23 1.42 6.12 0.00 0.11 -4.69 105.19 108.70 3fby n GLY 318 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.83 3fby n GLY 318 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fby n ASP 319 N -0.92 3.83 0.00 1.61 5.68 -1.26 -4.88 116.55 120.62 3fby n ASP 319 Ca -0.16 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 3fby n ASP 319 Cb 0.62 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3fby n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fby n GLY 320 N 0.24 2.04 3.63 6.12 0.00 -1.26 -4.56 105.19 111.40 3fby n GLY 320 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3fby n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fby s VAL 321 N -2.86 4.95 0.66 1.61 1.01 -1.26 -5.08 120.40 119.43 3fby s VAL 321 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 3fby s VAL 321 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 3fby s VAL 321 CO 0.00 0.42 1.22 -2.84 0.00 0.00 0.00 175.10 173.90 3fby s PRO 322 N 0.64 2.59 0.26 2.72 0.02 -1.26 -4.74 135.00 135.21 3fby s PRO 322 Ca 0.05 1.83 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 3fby s PRO 322 Cb -0.13 -1.88 0.41 0.00 0.02 0.00 0.00 34.50 32.93 3fby s PRO 322 CO 0.01 -1.51 1.84 -0.91 -0.33 0.00 0.00 177.00 176.11 3fby h ASN 323 N 0.36 0.86 0.62 2.53 2.35 -1.85 -0.23 115.58 120.21 3fby h ASN 323 Ca -0.49 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.20 3fby h ASN 323 Cb 1.30 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 3fby h ASN 323 CO 0.53 0.51 -0.41 -0.33 -1.65 0.00 0.00 177.43 176.08 3fby h GLU 324 N 0.97 0.00 -0.50 0.81 3.07 -1.90 -2.68 114.58 114.35 3fby h GLU 324 Ca 0.42 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.08 3fby h GLU 324 Cb 0.29 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.08 3fby h GLU 324 CO -0.21 0.41 0.11 1.63 -1.40 0.00 0.00 179.01 179.55 3fby n LYS 325 N -3.75 2.46 -4.05 2.33 5.02 -0.24 -4.92 118.16 115.01 3fby n LYS 325 Ca -0.01 -3.07 -0.32 0.00 -2.02 0.00 0.00 58.31 52.90 3fby n LYS 325 Cb 0.48 -1.95 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 3fby n LYS 325 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fby s ASP 326 N -1.96 4.08 0.00 4.39 -1.08 -0.40 -4.72 116.67 116.98 3fby s ASP 326 Ca 0.48 -1.21 0.22 0.00 -0.52 0.00 0.00 52.55 51.52 3fby s ASP 326 Cb 0.41 -1.46 1.29 0.00 -1.46 0.00 0.00 42.92 41.69 3fby s ASP 326 CO 0.06 -0.16 1.69 -0.46 0.52 0.00 0.00 175.17 176.82 3fby n ASN 327 N 4.51 0.00 -3.18 -0.34 0.23 -1.26 -3.29 115.26 111.93 3fby n ASN 327 Ca -0.15 -0.60 -0.23 0.00 -0.53 0.00 0.00 54.58 53.08 3fby n ASN 327 Cb 0.44 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 3fby n ASN 327 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fby h PRO 329 N 3.85 0.20 -0.44 0.00 0.11 -1.87 -1.94 132.00 131.90 3fby h PRO 329 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3fby h PRO 329 Cb 0.90 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3fby h PRO 329 CO 0.46 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.67 3fby n LEU 330 N -4.43 3.67 -3.77 2.35 4.77 -1.26 -3.43 117.00 114.90 3fby n LEU 330 Ca 0.11 -2.31 -0.14 0.00 -0.03 0.00 0.00 56.01 53.63 3fby n LEU 330 Cb 0.52 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 3fby n LEU 330 CO 0.35 0.77 -0.27 0.54 -1.33 0.00 0.00 177.39 177.45 3fby s VAL 331 N -1.57 -0.05 0.27 4.08 0.11 -0.73 -4.88 120.40 117.63 3fby s VAL 331 Ca 0.36 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 59.29 3fby s VAL 331 Cb 0.23 -0.18 -0.09 0.00 -1.53 0.00 0.00 36.38 34.80 3fby s VAL 331 CO 0.18 0.07 1.24 -0.13 -3.33 0.00 0.00 175.10 173.13 3fby s ARG 332 N 0.99 4.45 -0.37 1.54 0.52 -1.26 -4.70 118.95 120.12 3fby s ARG 332 Ca -0.08 2.03 0.02 0.00 -0.52 0.00 0.00 55.73 57.18 3fby s ARG 332 Cb -0.10 -3.15 0.28 0.00 0.52 0.00 0.00 34.95 32.50 3fby s ARG 332 CO -0.04 -0.09 1.20 0.27 0.02 0.00 0.00 175.30 176.65 3fby n ASN 333 N 1.56 -1.70 -0.18 0.23 6.94 -1.26 -5.02 115.26 115.84 3fby n ASN 333 Ca 0.02 -2.28 0.05 0.00 -0.02 0.00 0.00 54.58 52.34 3fby n ASN 333 Cb 0.43 1.15 0.33 0.00 -2.36 0.00 0.00 39.78 39.33 3fby n ASN 333 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 3fby h PRO 334 N 3.08 0.79 -0.20 -0.53 0.11 -1.92 -1.09 132.00 132.23 3fby h PRO 334 Ca -0.22 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3fby h PRO 334 Cb 1.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3fby h PRO 334 CO -0.02 0.52 0.08 0.38 -0.21 0.00 0.00 178.00 178.75 3fby h ASP 335 N 0.81 0.25 -0.20 -2.05 3.04 -1.96 -3.47 116.42 112.83 3fby h ASP 335 Ca 0.29 -0.02 -0.09 0.00 -3.24 0.00 0.00 57.03 53.98 3fby h ASP 335 Cb 0.13 -0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.33 3fby h ASP 335 CO -0.09 0.23 -0.08 0.00 -2.04 0.00 0.00 179.24 177.26 3fby n GLN 336 N -4.45 -0.78 -1.62 4.15 1.13 -0.41 -4.99 117.38 110.42 3fby n GLN 336 Ca 0.00 0.49 -0.44 0.00 -1.94 0.00 0.00 57.00 55.11 3fby n GLN 336 Cb 0.12 -4.26 -0.01 0.00 0.11 0.00 0.00 30.24 26.19 3fby n GLN 336 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3fby n ARG 337 N -1.91 1.54 -2.93 -1.09 0.63 -1.26 -4.82 116.66 106.82 3fby n ARG 337 Ca -0.04 0.54 -0.14 0.00 -0.92 0.00 0.00 57.85 57.29 3fby n ARG 337 Cb 0.26 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3fby n ARG 337 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3fby n ASN 338 N 1.15 -1.72 0.21 6.15 2.85 -1.26 0.31 115.26 122.94 3fby n ASN 338 Ca 0.09 -3.05 0.14 0.00 -0.11 0.00 0.00 54.58 51.65 3fby n ASN 338 Cb 0.33 0.86 0.75 0.00 1.24 0.00 0.00 39.78 42.96 3fby n ASN 338 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3fby h THR 339 N 2.71 0.00 -0.02 -0.44 1.35 -1.89 -0.82 112.91 113.80 3fby h THR 339 Ca -0.05 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3fby h THR 339 Cb 0.97 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3fby h THR 339 CO 0.37 0.00 -0.09 -0.90 -0.25 0.00 0.00 175.52 174.65 3fby n ASP 340 N -2.51 2.06 -3.70 5.36 3.85 -1.24 -4.93 116.55 115.44 3fby n ASP 340 Ca -0.01 -1.53 -0.26 0.00 -0.71 0.00 0.00 54.79 52.28 3fby n ASP 340 Cb 0.07 0.14 0.06 0.00 -1.35 0.00 0.00 41.12 40.05 3fby n ASP 340 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3fby n GLU 341 N 0.56 -7.09 -0.41 0.11 1.02 -0.31 -4.68 120.64 109.84 3fby n GLU 341 Ca 0.08 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3fby n GLU 341 Cb 0.36 -5.74 0.00 0.00 -0.02 0.00 0.00 31.44 26.04 3fby n GLU 341 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3fby n ASP 342 N -2.96 0.00 -0.13 1.62 3.85 -1.26 -4.96 116.55 112.71 3fby n ASP 342 Ca 0.01 -0.66 0.12 0.00 -0.71 0.00 0.00 54.79 53.55 3fby n ASP 342 Cb 0.55 0.00 0.47 0.00 -1.35 0.00 0.00 41.12 40.80 3fby n ASP 342 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3fby h LYS 343 N 0.00 0.46 -5.59 0.11 1.57 -1.94 -3.43 116.57 107.76 3fby h LYS 343 Ca 0.00 -0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 58.10 3fby h LYS 343 Cb 0.00 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.07 3fby h LYS 343 CO 0.00 0.31 -0.56 -1.58 -0.57 0.00 0.00 179.45 177.05 3fby s TRP 344 N -5.45 3.31 0.78 -1.35 0.52 -1.26 -4.76 118.94 110.73 3fby s TRP 344 Ca -0.08 0.22 -0.11 0.00 0.02 0.00 0.00 56.10 56.15 3fby s TRP 344 Cb 0.20 -1.95 0.06 0.00 -1.15 0.00 0.00 33.47 30.63 3fby s TRP 344 CO 0.76 0.40 1.09 0.20 0.02 0.00 0.00 176.95 179.42 3fby s GLY 345 N -0.38 1.66 0.44 0.98 0.00 -0.50 -4.76 107.32 104.75 3fby s GLY 345 Ca 0.09 0.12 0.16 0.00 0.00 0.00 0.00 44.72 45.10 3fby s GLY 345 CO 0.02 0.50 1.93 -0.55 0.00 0.00 0.00 173.10 175.00 3fby h ASP 346 N -1.13 0.36 0.00 1.64 3.45 -0.47 -1.94 116.42 118.33 3fby h ASP 346 Ca -0.45 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3fby h ASP 346 Cb 1.24 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3fby h ASP 346 CO 0.54 0.19 0.00 0.00 -1.57 0.00 0.00 179.24 178.40 3fby n ALA 347 N -2.53 2.28 -1.55 3.45 0.00 -1.26 -2.98 120.51 117.92 3fby n ALA 347 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3fby n ALA 347 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3fby n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fby s ASP 349 N 0.00 6.33 0.00 0.00 2.15 -0.77 -4.92 116.67 119.47 3fby s ASP 349 Ca 0.00 0.39 0.26 0.00 0.43 0.00 0.00 52.55 53.62 3fby s ASP 349 Cb 0.00 -2.21 1.54 0.00 -0.30 0.00 0.00 42.92 41.95 3fby s ASP 349 CO 0.00 -0.10 1.90 -0.46 -0.17 0.00 0.00 175.17 176.35 3fby n ASN 350 N 4.75 0.00 -3.18 -0.34 0.23 -1.26 -3.55 115.26 111.90 3fby n ASN 350 Ca -0.09 -0.79 -0.20 0.00 -0.53 0.00 0.00 54.58 52.96 3fby n ASN 350 Cb 0.51 -0.01 -0.04 0.00 -2.08 0.00 0.00 39.78 38.16 3fby n ASN 350 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fby n ARG 352 N 0.53 0.00 -3.29 0.00 0.63 -1.23 -1.27 116.66 112.02 3fby n ARG 352 Ca 0.25 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.92 3fby n ARG 352 Cb 0.60 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.44 3fby n ARG 352 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fby n SER 353 N -0.47 2.13 -3.15 6.15 3.41 -1.26 -3.61 113.62 116.81 3fby n SER 353 Ca 0.00 -3.11 0.05 0.00 -0.26 0.00 0.00 58.87 55.55 3fby n SER 353 Cb 0.00 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 3fby n SER 353 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3fby s GLN 354 N -1.96 0.25 -0.06 4.33 2.00 -0.40 -4.94 119.66 118.88 3fby s GLN 354 Ca 0.38 0.45 -0.33 0.00 -2.00 0.00 0.00 55.36 53.87 3fby s GLN 354 Cb 0.17 0.25 -0.11 0.00 0.80 0.00 0.00 33.01 34.13 3fby s GLN 354 CO -0.06 -0.27 1.94 1.63 -0.50 0.00 0.00 175.29 178.02 3fby n LYS 355 N 5.46 2.37 -2.83 1.67 5.02 -1.26 -4.79 118.16 123.80 3fby n LYS 355 Ca -0.06 0.86 -0.09 0.00 -2.02 0.00 0.00 58.31 57.00 3fby n LYS 355 Cb 0.53 -2.79 0.02 0.00 -0.02 0.00 0.00 35.03 32.77 3fby n LYS 355 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3fby n ASN 356 N 7.26 -2.71 -0.16 4.39 6.94 -1.26 -5.05 115.26 124.68 3fby n ASN 356 Ca 0.23 -3.06 -0.03 0.00 -0.02 0.00 0.00 54.58 51.70 3fby n ASN 356 Cb 0.34 1.45 0.06 0.00 -2.36 0.00 0.00 39.78 39.27 3fby n ASN 356 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3fby h ASP 357 N 4.47 0.16 0.00 0.53 3.45 -1.99 -0.83 116.42 122.21 3fby h ASP 357 Ca -0.03 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3fby h ASP 357 Cb 1.04 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 3fby h ASP 357 CO 0.23 0.12 0.00 -0.90 -1.57 0.00 0.00 179.24 177.11 3fby n ASP 358 N -5.02 0.00 -2.02 6.45 5.68 -1.26 -4.89 116.55 115.50 3fby n ASP 358 Ca 0.05 -0.59 -0.02 0.00 -0.50 0.00 0.00 54.79 53.73 3fby n ASP 358 Cb 0.20 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3fby n ASP 358 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fby n GLN 359 N -0.89 -2.29 -1.50 0.11 1.13 -0.32 -4.87 117.38 108.76 3fby n GLN 359 Ca 0.09 0.09 -0.46 0.00 -1.94 0.00 0.00 57.00 54.77 3fby n GLN 359 Cb 0.04 -4.44 -0.02 0.00 0.11 0.00 0.00 30.24 25.93 3fby n GLN 359 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3fby n LYS 360 N -2.07 0.68 -2.76 -1.09 4.81 -1.26 -4.80 118.16 111.68 3fby n LYS 360 Ca -0.02 0.24 -0.06 0.00 -0.87 0.00 0.00 58.31 57.60 3fby n LYS 360 Cb 0.36 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 34.01 3fby n LYS 360 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3fby n ASP 361 N 1.62 -3.18 -0.16 3.14 2.03 -1.26 0.11 116.55 118.85 3fby n ASP 361 Ca 0.14 -3.12 -0.05 0.00 0.52 0.00 0.00 54.79 52.28 3fby n ASP 361 Cb 0.28 1.79 0.04 0.00 -0.72 0.00 0.00 41.12 42.52 3fby n ASP 361 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3fby h THR 362 N 3.97 1.01 -0.14 5.18 1.35 -1.90 0.14 112.91 122.52 3fby h THR 362 Ca -0.05 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3fby h THR 362 Cb 1.07 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3fby h THR 362 CO 0.17 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 174.64 3fby n ASP 363 N -4.84 1.85 -2.49 5.36 5.75 -0.93 -4.89 116.55 116.36 3fby n ASP 363 Ca 0.04 -2.17 -0.04 0.00 -0.01 0.00 0.00 54.79 52.61 3fby n ASP 363 Cb 0.10 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.73 3fby n ASP 363 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3fby n GLN 364 N 0.11 -2.58 -0.03 0.11 -0.06 0.49 -4.75 117.38 110.68 3fby n GLN 364 Ca 0.06 0.01 0.13 0.00 -2.00 0.00 0.00 57.00 55.20 3fby n GLN 364 Cb 0.40 -4.05 0.50 0.00 -4.06 0.00 0.00 30.24 23.03 3fby n GLN 364 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 3fby n ASP 365 N -1.42 1.46 0.00 1.69 3.85 -1.26 -4.94 116.55 115.92 3fby n ASP 365 Ca 0.01 -1.54 0.00 0.00 -0.71 0.00 0.00 54.79 52.55 3fby n ASP 365 Cb 0.44 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 3fby n ASP 365 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fby n GLY 366 N 1.15 2.67 3.60 6.12 0.00 -1.26 -4.98 105.19 112.49 3fby n GLY 366 Ca 0.18 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3fby n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fby s ARG 367 N 0.00 3.51 1.18 1.61 1.81 -1.26 -4.75 118.95 121.05 3fby s ARG 367 Ca 0.00 1.26 -0.18 0.00 -1.72 0.00 0.00 55.73 55.10 3fby s ARG 367 Cb 0.00 -4.10 0.23 0.00 -0.45 0.00 0.00 34.95 30.63 3fby s ARG 367 CO 0.00 -1.65 0.48 0.41 -0.68 0.00 0.00 175.30 173.86 3fby n GLY 368 N 5.17 -2.85 0.19 -3.53 0.00 -0.62 -4.48 105.19 99.06 3fby n GLY 368 Ca 0.20 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 3fby n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fby h ASP 369 N -2.84 0.30 -0.39 1.61 3.32 0.54 -1.86 116.42 117.10 3fby h ASP 369 Ca -0.39 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.33 3fby h ASP 369 Cb 1.11 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 3fby h ASP 369 CO 0.26 0.77 0.22 0.00 -1.72 0.00 0.00 179.24 178.78 3fby n ALA 370 N -2.48 3.68 0.00 3.45 0.00 -1.26 -3.73 120.51 120.17 3fby n ALA 370 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3fby n ALA 370 Cb 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3fby n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fby s ASP 372 N -1.44 6.06 -0.01 0.00 3.68 -0.71 -4.86 116.67 119.40 3fby s ASP 372 Ca 0.00 -0.37 0.02 0.00 2.13 0.00 0.00 52.55 54.33 3fby s ASP 372 Cb 0.00 -2.56 0.08 0.00 -1.45 0.00 0.00 42.92 38.99 3fby s ASP 372 CO 0.00 -1.90 0.83 -0.90 0.13 0.00 0.00 175.17 173.33 3fby n ASP 373 N 9.75 1.00 -3.59 -0.34 5.75 -1.26 -2.49 116.55 125.37 3fby n ASP 373 Ca 0.05 -2.05 -0.28 0.00 -0.01 0.00 0.00 54.79 52.50 3fby n ASP 373 Cb 0.49 -0.30 -0.11 0.00 -1.03 0.00 0.00 41.12 40.17 3fby n ASP 373 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fby s ASP 374 N -0.51 2.81 0.60 -1.12 -1.08 -1.26 -0.33 116.67 115.78 3fby s ASP 374 Ca 0.06 -3.19 0.31 0.00 -0.52 0.00 0.00 52.55 49.21 3fby s ASP 374 Cb 0.04 -0.87 1.88 0.00 -1.46 0.00 0.00 42.92 42.51 3fby s ASP 374 CO 0.03 -0.17 2.25 0.16 0.52 0.00 0.00 175.17 177.96 3fby h ILE 375 N 4.67 0.46 0.00 4.11 3.07 -1.71 -2.26 117.51 125.84 3fby h ILE 375 Ca 0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.59 3fby h ILE 375 Cb 0.87 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3fby h ILE 375 CO 0.48 0.00 -1.23 -0.90 -1.05 0.00 0.00 178.15 175.45 3fby n ASP 376 N -3.75 1.32 -2.40 2.16 3.85 -1.24 -2.19 116.55 114.30 3fby n ASP 376 Ca -0.03 -0.34 -0.02 0.00 -0.71 0.00 0.00 54.79 53.70 3fby n ASP 376 Cb 0.11 1.38 0.00 0.00 -1.35 0.00 0.00 41.12 41.26 3fby n ASP 376 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fby n GLY 377 N 1.55 -2.87 2.73 6.12 0.00 -0.85 -4.57 105.19 107.29 3fby n GLY 377 Ca -0.00 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 3fby n GLY 377 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fby n ASP 378 N 0.18 0.14 0.00 1.61 5.68 -1.26 -4.98 116.55 117.93 3fby n ASP 378 Ca 0.03 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 3fby n ASP 378 Cb 0.12 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3fby n ASP 378 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3fby n ARG 379 N -0.70 -1.14 -3.81 0.11 1.74 -1.26 -4.75 116.66 106.86 3fby n ARG 379 Ca -0.01 0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 3fby n ARG 379 Cb 0.83 -2.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 3fby n ARG 379 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3fby s ILE 380 N -0.21 3.77 0.59 0.55 2.07 -1.26 -5.10 121.20 121.62 3fby s ILE 380 Ca 0.00 -0.66 -0.18 0.00 -1.41 0.00 0.00 60.65 58.40 3fby s ILE 380 Cb 0.00 -2.90 -0.03 0.00 0.13 0.00 0.00 42.46 39.66 3fby s ILE 380 CO 0.00 0.16 1.14 -0.13 -1.91 0.00 0.00 174.94 174.20 3fby s ARG 381 N 1.48 3.09 0.00 3.50 0.52 -1.26 -4.79 118.95 121.49 3fby s ARG 381 Ca 0.03 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3fby s ARG 381 Cb -0.17 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3fby s ARG 381 CO 0.01 -1.05 0.53 0.09 0.02 0.00 0.00 175.30 174.89 3fby n ASN 382 N -1.73 0.00 0.00 0.23 3.02 0.55 -1.51 115.26 115.82 3fby n ASN 382 Ca 0.12 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.23 3fby n ASN 382 Cb 0.51 -0.07 0.24 0.00 -0.61 0.00 0.00 39.78 39.86 3fby n ASN 382 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fby n GLN 383 N -1.25 0.52 -2.53 3.52 -0.00 -1.26 -1.81 117.38 114.57 3fby n GLN 383 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 3fby n GLN 383 Cb 0.00 -1.24 0.02 0.00 -0.00 0.00 0.00 30.24 29.02 3fby n GLN 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3fby n ALA 384 N -0.74 4.02 -3.51 2.61 0.00 -0.57 -5.01 120.51 117.30 3fby n ALA 384 Ca 0.06 -3.52 -0.09 0.00 0.00 0.00 0.00 53.44 49.89 3fby n ALA 384 Cb 0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 3fby n ALA 384 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fby s ASP 385 N -3.46 -0.04 0.45 0.00 2.15 -0.75 -4.42 116.67 110.60 3fby s ASP 385 Ca 0.37 0.64 0.29 0.00 0.43 0.00 0.00 52.55 54.28 3fby s ASP 385 Cb 0.41 1.24 1.56 0.00 -0.30 0.00 0.00 42.92 45.82 3fby s ASP 385 CO -0.04 -0.26 1.87 -0.55 -0.17 0.00 0.00 175.17 176.01 3fby h ASN 386 N 8.18 0.00 -2.61 -0.34 7.08 -1.85 -3.15 115.58 122.89 3fby h ASN 386 Ca -0.17 0.00 -0.59 0.00 -3.08 0.00 0.00 56.30 52.45 3fby h ASN 386 Cb 1.13 0.00 -0.39 0.00 -2.08 0.00 0.00 38.32 36.98 3fby h ASN 386 CO 0.19 0.00 -0.88 0.00 -2.08 0.00 0.00 177.43 174.66 3fby h PRO 388 N 6.16 0.88 0.00 0.00 0.11 -1.80 -3.31 132.00 134.04 3fby h PRO 388 Ca 0.17 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 3fby h PRO 388 Cb 0.92 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 3fby h PRO 388 CO 0.37 0.62 -0.51 0.07 -0.21 0.00 0.00 178.00 178.35 3fby h ARG 389 N 0.90 0.00 -6.39 1.05 0.11 -1.94 -3.30 114.38 104.81 3fby h ARG 389 Ca 0.23 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.77 3fby h ARG 389 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 3fby h ARG 389 CO -0.04 0.24 0.63 0.08 0.10 0.00 0.00 179.97 180.97 3fby s VAL 390 N -2.12 4.20 0.32 0.08 1.01 -1.25 -4.50 120.40 118.14 3fby s VAL 390 Ca -0.15 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 3fby s VAL 390 Cb 0.02 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3fby s VAL 390 CO 0.27 0.05 1.13 -2.84 0.00 0.00 0.00 175.10 173.71 3fby s PRO 391 N 1.69 4.47 -0.42 2.72 0.02 -1.26 -4.69 135.00 137.53 3fby s PRO 391 Ca 0.57 1.83 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3fby s PRO 391 Cb -0.26 -3.03 0.19 0.00 0.02 0.00 0.00 34.50 31.42 3fby s PRO 391 CO 0.25 0.04 0.86 0.54 -0.33 0.00 0.00 177.00 178.36 3fby s ASN 392 N -0.94 -0.99 0.58 2.53 4.22 -1.26 -4.98 114.94 114.10 3fby s ASN 392 Ca 0.48 -0.93 0.27 0.00 -2.14 0.00 0.00 52.86 50.55 3fby s ASN 392 Cb -0.32 1.28 1.67 0.00 1.28 0.00 0.00 41.25 45.16 3fby s ASN 392 CO 0.41 -0.06 2.18 0.28 -2.04 0.00 0.00 177.10 177.86 3fby h SER 393 N 5.26 0.00 1.70 3.54 0.02 -1.95 -1.97 113.55 120.16 3fby h SER 393 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3fby h SER 393 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3fby h SER 393 CO -0.02 0.00 -0.29 -2.24 -1.14 0.00 0.00 176.83 173.14 3fby h ASP 394 N 0.00 0.00 -0.37 3.07 -0.00 -1.96 -3.48 116.42 113.68 3fby h ASP 394 Ca 0.04 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.91 3fby h ASP 394 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.49 3fby h ASP 394 CO -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 179.24 179.10 3fby n GLN 395 N -2.97 -0.75 -1.70 4.15 1.13 -0.74 -4.95 117.38 111.55 3fby n GLN 395 Ca 0.03 0.71 -0.44 0.00 -1.94 0.00 0.00 57.00 55.36 3fby n GLN 395 Cb 0.54 -4.59 -0.03 0.00 0.11 0.00 0.00 30.24 26.27 3fby n GLN 395 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3fby n LYS 396 N -2.34 2.31 -3.11 -1.09 5.02 -1.26 -4.76 118.16 112.93 3fby n LYS 396 Ca -0.08 0.83 -0.21 0.00 -2.02 0.00 0.00 58.31 56.83 3fby n LYS 396 Cb 0.31 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 32.72 3fby n LYS 396 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fby n ASP 397 N 2.47 -0.39 -0.25 4.39 2.03 -1.26 0.38 116.55 123.92 3fby n ASP 397 Ca 0.12 -2.83 0.31 0.00 0.52 0.00 0.00 54.79 52.91 3fby n ASP 397 Cb 0.33 -0.16 0.73 0.00 -0.72 0.00 0.00 41.12 41.30 3fby n ASP 397 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3fby h SER 398 N 3.94 0.01 0.00 1.67 0.02 -1.92 -0.26 113.55 117.02 3fby h SER 398 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3fby h SER 398 Cb 0.91 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3fby h SER 398 CO 0.43 0.00 -0.95 -0.90 -1.14 0.00 0.00 176.83 174.27 3fby n ASP 399 N -4.24 0.84 -3.60 3.07 5.68 -1.25 -5.00 116.55 112.05 3fby n ASP 399 Ca 0.22 -0.73 -0.20 0.00 -0.50 0.00 0.00 54.79 53.58 3fby n ASP 399 Cb 1.08 1.14 0.06 0.00 -1.14 0.00 0.00 41.12 42.26 3fby n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fby n GLY 400 N 1.41 -0.35 2.03 6.12 0.00 -0.11 -4.72 105.19 109.57 3fby n GLY 400 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 3fby n GLY 400 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fby n ASP 401 N -3.07 4.84 0.00 1.61 3.85 -1.26 -4.91 116.55 117.61 3fby n ASP 401 Ca -0.25 -3.24 0.00 0.00 -0.71 0.00 0.00 54.79 50.59 3fby n ASP 401 Cb 0.66 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 3fby n ASP 401 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fby n GLY 402 N -0.18 2.75 3.61 6.12 0.00 -1.26 -4.56 105.19 111.67 3fby n GLY 402 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 3fby n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fby s ILE 403 N -0.68 4.87 0.89 -0.61 -1.09 -1.26 -4.76 121.20 118.56 3fby s ILE 403 Ca 0.00 0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 3fby s ILE 403 Cb 0.00 -3.23 0.13 0.00 -1.58 0.00 0.00 42.46 37.78 3fby s ILE 403 CO 0.00 0.41 1.12 -0.83 -1.23 0.00 0.00 174.94 174.41 3fby s GLY 404 N 0.73 1.67 0.00 6.18 0.00 -0.97 -4.79 107.32 110.14 3fby s GLY 404 Ca 0.05 0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.91 3fby s GLY 404 CO 0.02 0.83 1.32 -0.55 0.00 0.00 0.00 173.10 174.71 3fby h ASP 405 N -1.71 -0.12 0.00 1.64 3.32 -0.38 -1.34 116.42 117.84 3fby h ASP 405 Ca -0.45 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.30 3fby h ASP 405 Cb 1.26 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3fby h ASP 405 CO 0.46 0.25 0.70 0.00 -1.72 0.00 0.00 179.24 178.92 3fby h ALA 406 N 0.32 1.53 0.00 3.45 0.00 -1.94 0.76 119.26 123.37 3fby h ALA 406 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fby h ALA 406 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fby h ALA 406 CO 0.02 -0.53 -0.15 0.00 0.00 0.00 0.00 179.25 178.59 3fby s ASP 408 N -0.30 6.58 0.00 0.00 -1.08 0.26 -4.91 116.67 117.22 3fby s ASP 408 Ca 0.00 2.45 0.30 0.00 -0.52 0.00 0.00 52.55 54.78 3fby s ASP 408 Cb 0.00 -2.62 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 3fby s ASP 408 CO 0.00 -0.65 1.97 -0.46 0.52 0.00 0.00 175.17 176.55 3fby n ASN 409 N 0.28 0.33 -2.93 -0.34 6.94 -1.26 -4.60 115.26 113.68 3fby n ASN 409 Ca 0.03 -0.61 -0.06 0.00 -0.02 0.00 0.00 54.58 53.93 3fby n ASN 409 Cb 0.45 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 37.76 3fby n ASN 409 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fby h PRO 411 N 5.53 0.02 0.00 0.00 0.11 -1.92 -3.19 132.00 132.56 3fby h PRO 411 Ca 0.08 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 3fby h PRO 411 Cb 1.10 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3fby h PRO 411 CO 0.07 0.02 -1.35 1.04 -0.21 0.00 0.00 178.00 177.56 3fby n GLN 412 N -5.50 0.54 -2.13 1.05 3.00 -1.26 -3.90 117.38 109.17 3fby n GLN 412 Ca 0.16 0.43 -0.43 0.00 -0.01 0.00 0.00 57.00 57.15 3fby n GLN 412 Cb 0.53 -1.62 -0.03 0.00 0.00 0.00 0.00 30.24 29.12 3fby n GLN 412 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3fby s LYS 413 N -2.45 3.81 -0.39 -1.09 1.02 -1.20 -4.50 119.74 114.94 3fby s LYS 413 Ca -0.28 1.66 -0.27 0.00 0.02 0.00 0.00 55.97 57.10 3fby s LYS 413 Cb 0.07 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3fby s LYS 413 CO 0.45 -1.27 2.14 -1.12 -0.92 0.00 0.00 175.35 174.63 3fby s SER 414 N 4.12 5.19 -0.74 2.83 0.01 -1.26 -4.77 113.70 119.08 3fby s SER 414 Ca 0.71 1.28 0.04 0.00 1.31 0.00 0.00 55.95 59.28 3fby s SER 414 Cb -0.25 -2.51 0.22 0.00 0.21 0.00 0.00 66.02 63.69 3fby s SER 414 CO 0.29 -2.27 0.70 -0.46 0.41 0.00 0.00 173.24 171.91 3fby n ASN 415 N 12.91 3.71 -0.21 2.44 6.94 -1.26 -4.96 115.26 134.84 3fby n ASN 415 Ca 0.29 -3.29 -0.05 0.00 -0.02 0.00 0.00 54.58 51.50 3fby n ASN 415 Cb 0.50 -0.81 -0.05 0.00 -2.36 0.00 0.00 39.78 37.05 3fby n ASN 415 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3fby n PRO 416 N 1.59 -0.22 0.00 -0.53 -0.04 -1.26 -0.16 135.00 134.38 3fby n PRO 416 Ca 0.24 1.04 0.17 0.00 -0.04 0.00 0.00 63.50 64.91 3fby n PRO 416 Cb 0.37 -1.54 0.63 0.00 -0.04 0.00 0.00 33.50 32.92 3fby n PRO 416 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3fby h ASP 417 N 0.00 0.11 -4.21 3.54 2.03 -1.92 -3.47 116.42 112.50 3fby h ASP 417 Ca 0.08 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.03 3fby h ASP 417 Cb 0.20 -0.02 0.07 0.00 -0.83 0.00 0.00 39.33 38.75 3fby h ASP 417 CO -0.46 0.06 -0.55 0.00 -1.03 0.00 0.00 179.24 177.26 3fby n GLN 418 N -4.43 -4.83 -1.91 4.15 1.13 0.77 -4.96 117.38 107.30 3fby n GLN 418 Ca 0.09 0.79 -0.42 0.00 -1.94 0.00 0.00 57.00 55.52 3fby n GLN 418 Cb 0.49 -5.44 -0.03 0.00 0.11 0.00 0.00 30.24 25.37 3fby n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fby s ALA 419 N -3.14 3.79 -0.50 -1.58 0.00 -1.26 -4.94 121.76 114.13 3fby s ALA 419 Ca 0.31 1.41 0.07 0.00 0.00 0.00 0.00 51.96 53.75 3fby s ALA 419 Cb -0.14 -3.63 0.36 0.00 0.00 0.00 0.00 23.12 19.71 3fby s ALA 419 CO 0.39 -0.80 0.92 -3.47 0.00 0.00 0.00 175.76 172.79 3fby n ASP 420 N 3.76 3.51 -0.13 0.00 4.64 -1.26 -1.73 116.55 125.34 3fby n ASP 420 Ca 0.13 -3.49 0.08 0.00 -1.38 0.00 0.00 54.79 50.13 3fby n ASP 420 Cb 0.38 -0.56 0.15 0.00 -1.04 0.00 0.00 41.12 40.05 3fby n ASP 420 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3fby n VAL 421 N -0.14 -0.17 -1.47 5.18 0.31 -1.26 -0.56 118.33 120.23 3fby n VAL 421 Ca 0.29 0.85 -0.21 0.00 -0.01 0.00 0.00 64.34 65.27 3fby n VAL 421 Cb 0.50 -1.27 0.13 0.00 -0.91 0.00 0.00 33.84 32.29 3fby n VAL 421 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3fby n ASP 422 N -4.26 4.62 -4.09 4.52 3.85 -1.26 -4.94 116.55 114.99 3fby n ASP 422 Ca 0.11 -3.75 -0.28 0.00 -0.71 0.00 0.00 54.79 50.16 3fby n ASP 422 Cb 0.36 -0.73 -0.05 0.00 -1.35 0.00 0.00 41.12 39.35 3fby n ASP 422 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 3fby n HIS 423 N -1.01 -1.54 -0.01 2.11 -0.00 0.28 -4.81 115.22 110.25 3fby n HIS 423 Ca 0.50 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.93 3fby n HIS 423 Cb 1.07 -3.37 -0.02 0.00 -0.00 0.00 0.00 29.99 27.67 3fby n HIS 423 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3fby n ASP 424 N -2.92 4.31 0.00 0.26 -0.08 -1.26 -3.82 116.55 113.04 3fby n ASP 424 Ca -0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 3fby n ASP 424 Cb 0.67 0.93 0.00 0.00 2.34 0.00 0.00 41.12 45.06 3fby n ASP 424 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3fby n PHE 425 N -1.79 0.00 -4.04 -0.67 3.01 -1.26 -4.99 117.46 107.72 3fby n PHE 425 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 3fby n PHE 425 Cb 0.27 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.58 3fby n PHE 425 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3fby s VAL 426 N -2.16 2.54 0.33 -4.37 1.01 -1.26 -4.84 120.40 111.65 3fby s VAL 426 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3fby s VAL 426 Cb 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.35 3fby s VAL 426 CO 0.00 0.49 0.25 0.61 0.00 0.00 0.00 175.10 176.45 3fby n GLY 427 N 4.68 -3.05 0.00 4.51 0.00 -1.25 -4.24 105.19 105.86 3fby n GLY 427 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3fby n GLY 427 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fby n ASP 428 N -3.57 0.00 -0.32 1.61 10.43 -0.70 0.14 116.55 124.14 3fby n ASP 428 Ca 0.04 0.49 0.00 0.00 2.57 0.00 0.00 54.79 57.88 3fby n ASP 428 Cb 0.15 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.09 3fby n ASP 428 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fby n ALA 429 N -0.55 1.53 -0.00 2.24 0.00 -1.26 -2.57 120.51 119.90 3fby n ALA 429 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3fby n ALA 429 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3fby n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fby n ASP 431 N -3.30 2.05 -0.02 0.00 4.64 0.12 -4.90 116.55 115.14 3fby n ASP 431 Ca -0.03 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.49 3fby n ASP 431 Cb 0.11 -1.24 0.00 0.00 -1.04 0.00 0.00 41.12 38.95 3fby n ASP 431 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3fby n SER 432 N 3.00 0.42 -3.83 1.67 3.41 -1.26 -4.95 113.62 112.08 3fby n SER 432 Ca 0.19 -1.25 -0.25 0.00 -0.26 0.00 0.00 58.87 57.30 3fby n SER 432 Cb 0.21 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3fby n SER 432 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fby n ASP 433 N -0.11 -0.30 -4.14 4.04 9.92 -1.26 -4.88 116.55 119.82 3fby n ASP 433 Ca 0.00 -0.90 -0.37 0.00 -0.53 0.00 0.00 54.79 52.99 3fby n ASP 433 Cb 0.46 -1.10 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 3fby n ASP 433 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3fby s GLN 434 N -6.25 2.15 -0.53 -1.24 -1.52 -1.26 -5.00 119.66 106.00 3fby s GLN 434 Ca 0.10 -1.87 0.05 0.00 -1.95 0.00 0.00 55.36 51.69 3fby s GLN 434 Cb -0.05 -3.67 0.19 0.00 -0.22 0.00 0.00 33.01 29.26 3fby s GLN 434 CO 0.69 -1.11 0.47 -3.47 -0.25 0.00 0.00 175.29 171.62 3fby n ASP 435 N 4.57 1.27 0.31 5.90 2.03 -1.26 -1.06 116.55 128.31 3fby n ASP 435 Ca -0.02 -2.82 0.19 0.00 0.52 0.00 0.00 54.79 52.66 3fby n ASP 435 Cb 0.41 -0.65 1.03 0.00 -0.72 0.00 0.00 41.12 41.19 3fby n ASP 435 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3fby h GLN 436 N 5.15 0.00 -0.20 -0.67 3.07 -1.89 0.35 115.11 120.91 3fby h GLN 436 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 3fby h GLN 436 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.38 3fby h GLN 436 CO 0.55 0.02 0.00 -0.40 0.09 0.00 0.00 178.83 179.09 3fby n ASP 437 N -3.31 3.23 -2.70 0.06 5.75 -1.26 -4.98 116.55 113.34 3fby n ASP 437 Ca -0.02 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.57 3fby n ASP 437 Cb 0.13 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3fby n ASP 437 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 438 N 1.43 -0.50 1.65 6.12 0.00 0.12 -4.67 105.19 109.33 3fby n GLY 438 Ca 0.17 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3fby n GLY 438 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fby n ASP 439 N -2.09 5.27 0.00 1.61 5.75 -1.26 -0.36 116.55 125.48 3fby n ASP 439 Ca -0.14 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 3fby n ASP 439 Cb 0.62 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3fby n ASP 439 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 440 N 0.40 0.44 3.03 6.12 0.00 -1.26 -4.41 105.19 109.52 3fby n GLY 440 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3fby n GLY 440 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fby s HIS 441 N -2.05 2.92 -0.05 1.61 3.76 -1.26 -5.00 115.29 115.22 3fby s HIS 441 Ca 0.00 -2.04 -0.17 0.00 -0.15 0.00 0.00 55.06 52.70 3fby s HIS 441 Cb 0.00 -1.81 -0.08 0.00 1.11 0.00 0.00 32.58 31.80 3fby s HIS 441 CO 0.00 -0.83 0.48 0.94 -0.85 0.00 0.00 174.74 174.48 3fby n GLN 442 N 4.53 0.00 -0.30 1.40 -0.06 -1.26 -4.36 117.38 117.34 3fby n GLN 442 Ca -0.14 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 54.98 3fby n GLN 442 Cb 0.44 -0.59 0.29 0.00 -4.06 0.00 0.00 30.24 26.31 3fby n GLN 442 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 3fby h ASP 443 N 1.40 0.27 0.00 1.69 3.45 -1.45 0.68 116.42 122.46 3fby h ASP 443 Ca -0.19 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3fby h ASP 443 Cb 0.56 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3fby h ASP 443 CO 0.29 -0.01 0.00 -0.24 -1.57 0.00 0.00 179.24 177.71 3fby n SER 444 N -5.07 0.00 0.00 6.45 2.88 -1.26 -2.38 113.62 114.24 3fby n SER 444 Ca 0.21 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 3fby n SER 444 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 3fby n SER 444 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fby n ARG 445 N -0.60 0.00 -3.11 -1.46 1.74 0.19 -5.07 116.66 108.35 3fby n ARG 445 Ca 0.01 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 3fby n ARG 445 Cb 0.01 -0.18 -0.06 0.00 -1.02 0.00 0.00 32.46 31.20 3fby n ARG 445 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fby s ASP 446 N 0.00 6.51 0.00 0.55 -1.08 0.12 -4.87 116.67 117.90 3fby s ASP 446 Ca 0.00 0.50 0.16 0.00 -0.52 0.00 0.00 52.55 52.68 3fby s ASP 446 Cb 0.00 -2.33 0.94 0.00 -1.46 0.00 0.00 42.92 40.07 3fby s ASP 446 CO 0.00 -0.45 1.57 -0.46 0.52 0.00 0.00 175.17 176.35 3fby n ASN 447 N 5.84 0.00 -3.24 -0.34 0.23 -1.26 -3.50 115.26 112.99 3fby n ASN 447 Ca -0.01 -1.40 -0.23 0.00 -0.53 0.00 0.00 54.58 52.42 3fby n ASN 447 Cb 0.49 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.12 3fby n ASN 447 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fby h PRO 449 N 5.09 0.00 0.00 0.00 0.11 -1.87 -2.57 132.00 132.76 3fby h PRO 449 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fby h PRO 449 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3fby h PRO 449 CO 0.35 0.00 -1.53 2.41 -0.21 0.00 0.00 178.00 179.02 3fby n THR 450 N -3.99 0.00 -4.00 -1.15 -1.04 -1.26 -4.11 114.28 98.73 3fby n THR 450 Ca 0.04 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.05 61.40 3fby n THR 450 Cb 0.43 0.41 -0.13 0.00 -1.82 0.00 0.00 70.33 69.21 3fby n THR 450 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3fby s VAL 451 N -3.16 3.61 -0.32 12.58 1.01 -0.97 -4.83 120.40 128.31 3fby s VAL 451 Ca -0.02 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3fby s VAL 451 Cb 0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3fby s VAL 451 CO 0.81 0.42 1.92 -2.84 0.00 0.00 0.00 175.10 175.41 3fby s PRO 452 N 1.28 3.21 -0.43 2.72 0.02 -1.26 -4.67 135.00 135.87 3fby s PRO 452 Ca 0.04 1.52 0.07 0.00 0.02 0.00 0.00 61.00 62.65 3fby s PRO 452 Cb -0.14 -4.26 0.24 0.00 0.02 0.00 0.00 34.50 30.36 3fby s PRO 452 CO -0.01 -2.01 0.54 0.27 -0.33 0.00 0.00 177.00 175.46 3fby n ASN 453 N 10.93 0.62 0.00 2.53 6.94 -1.26 -4.97 115.26 130.05 3fby n ASN 453 Ca 0.25 -2.77 0.23 0.00 -0.02 0.00 0.00 54.58 52.26 3fby n ASN 453 Cb 0.47 -0.64 0.72 0.00 -2.36 0.00 0.00 39.78 37.97 3fby n ASN 453 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fby h SER 454 N 4.13 0.00 1.07 0.53 0.02 -1.77 0.23 113.55 117.76 3fby h SER 454 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fby h SER 454 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3fby h SER 454 CO 0.51 0.00 -0.10 0.00 -1.14 0.00 0.00 176.83 176.09 3fby n ALA 455 N -2.47 2.49 -2.72 3.77 0.00 -1.26 -4.72 120.51 115.60 3fby n ALA 455 Ca 0.11 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 3fby n ALA 455 Cb 0.73 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3fby n ALA 455 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fby n GLN 456 N -1.76 -2.91 -1.65 0.00 1.13 0.82 -4.87 117.38 108.13 3fby n GLN 456 Ca 0.06 0.76 -0.46 0.00 -1.94 0.00 0.00 57.00 55.42 3fby n GLN 456 Cb 0.37 -5.45 -0.04 0.00 0.11 0.00 0.00 30.24 25.23 3fby n GLN 456 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3fby n GLU 457 N -3.30 2.32 -3.72 -1.09 4.71 -1.26 -4.90 120.64 113.39 3fby n GLU 457 Ca -0.14 0.82 -0.30 0.00 -0.01 0.00 0.00 57.16 57.53 3fby n GLU 457 Cb 0.62 -2.83 -0.14 0.00 -1.01 0.00 0.00 31.44 28.08 3fby n GLU 457 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3fby s ASP 458 N 4.91 3.89 -0.04 1.62 2.15 -1.26 0.19 116.67 128.14 3fby s ASP 458 Ca 0.94 -1.95 -0.15 0.00 0.43 0.00 0.00 52.55 51.81 3fby s ASP 458 Cb -0.58 -0.91 -0.09 0.00 -0.30 0.00 0.00 42.92 41.05 3fby s ASP 458 CO 0.47 -0.37 0.64 0.28 -0.17 0.00 0.00 175.17 176.02 3fby h SER 459 N 7.65 -0.47 0.00 -0.34 0.02 -1.92 -2.92 113.55 115.57 3fby h SER 459 Ca -0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3fby h SER 459 Cb 0.99 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3fby h SER 459 CO 0.46 -0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 175.22 3fby n ASP 460 N -5.14 0.13 -2.34 3.07 5.68 0.36 -4.82 116.55 113.49 3fby n ASP 460 Ca -0.07 -0.96 -0.09 0.00 -0.50 0.00 0.00 54.79 53.17 3fby n ASP 460 Cb 0.22 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 3fby n ASP 460 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3fby n HIS 461 N -0.30 -1.46 1.20 2.11 8.25 -1.10 -4.81 115.22 119.11 3fby n HIS 461 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3fby n HIS 461 Cb 0.03 -2.28 0.36 0.00 1.12 0.00 0.00 29.99 29.22 3fby n HIS 461 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3fby n ASP 462 N -1.55 2.08 0.00 0.41 5.75 -1.26 -4.96 116.55 117.01 3fby n ASP 462 Ca -0.11 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3fby n ASP 462 Cb 0.55 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3fby n ASP 462 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fby n GLY 463 N 1.24 3.09 3.59 6.12 0.00 -1.26 -5.00 105.19 112.97 3fby n GLY 463 Ca 0.17 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3fby n GLY 463 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fby s GLN 464 N 0.00 3.88 1.29 1.61 -2.07 -1.26 -4.78 119.66 118.33 3fby s GLN 464 Ca 0.00 0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.45 3fby s GLN 464 Cb 0.00 -3.72 0.31 0.00 -1.09 0.00 0.00 33.01 28.51 3fby s GLN 464 CO 0.00 -0.46 0.80 0.41 -1.32 0.00 0.00 175.29 174.72 3fby n GLY 465 N 4.60 -2.91 0.09 2.60 0.00 -0.21 -4.85 105.19 104.51 3fby n GLY 465 Ca -0.05 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3fby n GLY 465 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fby h ASP 466 N -3.04 0.16 0.00 1.61 5.19 -0.57 -3.18 116.42 116.58 3fby h ASP 466 Ca -0.51 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 55.54 3fby h ASP 466 Cb 1.30 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3fby h ASP 466 CO 0.36 0.48 0.68 0.00 -3.12 0.00 0.00 179.24 177.64 3fby h ALA 467 N 0.68 1.63 -1.22 3.45 0.00 -1.93 -0.20 119.26 121.67 3fby h ALA 467 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.55 3fby h ALA 467 Cb 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.88 3fby h ALA 467 CO 0.01 -0.63 -0.95 0.00 0.00 0.00 0.00 179.25 177.68 3fby s ASP 469 N -2.15 -0.03 0.00 0.00 -1.08 -0.09 -4.73 116.67 108.60 3fby s ASP 469 Ca 0.32 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 3fby s ASP 469 Cb 0.35 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 3fby s ASP 469 CO -0.06 -0.90 0.00 0.47 0.52 0.00 0.00 175.17 175.20 3fby n ASP 470 N -0.22 4.24 -3.56 -0.34 8.00 -1.26 -4.83 116.55 118.58 3fby n ASP 470 Ca -0.09 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 3fby n ASP 470 Cb 0.63 0.84 -0.11 0.00 -0.02 0.00 0.00 41.12 42.46 3fby n ASP 470 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fby s ASP 471 N -1.72 2.61 0.67 -2.24 3.68 -1.26 0.22 116.67 118.63 3fby s ASP 471 Ca 0.00 -3.19 0.42 0.00 2.13 0.00 0.00 52.55 51.90 3fby s ASP 471 Cb 0.00 -0.81 2.28 0.00 -1.45 0.00 0.00 42.92 42.94 3fby s ASP 471 CO 0.00 -0.16 2.29 0.44 0.13 0.00 0.00 175.17 177.86 3fby h ASP 472 N 5.74 0.00 0.00 -0.34 3.32 -1.88 -1.94 116.42 121.33 3fby h ASP 472 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3fby h ASP 472 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3fby h ASP 472 CO 0.47 0.00 -1.33 -0.90 -1.72 0.00 0.00 179.24 175.76 3fby n ASP 473 N -3.06 2.99 -2.45 6.45 5.68 -1.26 -0.49 116.55 124.41 3fby n ASP 473 Ca -0.03 -0.03 -0.10 0.00 -0.50 0.00 0.00 54.79 54.13 3fby n ASP 473 Cb 0.13 1.36 0.05 0.00 -1.14 0.00 0.00 41.12 41.52 3fby n ASP 473 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3fby n ASN 474 N -1.76 -2.59 -0.06 -1.12 3.02 -0.73 -4.64 115.26 107.38 3fby n ASN 474 Ca -0.01 -0.38 -0.04 0.00 -0.03 0.00 0.00 54.58 54.12 3fby n ASN 474 Cb 0.21 -3.23 -0.15 0.00 -0.61 0.00 0.00 39.78 36.00 3fby n ASN 474 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fby n ASP 475 N -2.31 0.14 0.00 6.41 5.68 -1.26 -5.00 116.55 120.21 3fby n ASP 475 Ca -0.14 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3fby n ASP 475 Cb 0.59 1.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.65 3fby n ASP 475 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fby n GLY 476 N 1.60 2.64 3.65 6.12 0.00 -1.26 -5.00 105.19 112.94 3fby n GLY 476 Ca -0.23 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3fby n GLY 476 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fby s VAL 477 N 0.00 3.04 1.07 1.61 1.01 -1.26 -4.92 120.40 120.96 3fby s VAL 477 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3fby s VAL 477 Cb 0.00 -3.04 0.23 0.00 0.00 0.00 0.00 36.38 33.58 3fby s VAL 477 CO 0.00 -0.01 1.07 -2.84 0.00 0.00 0.00 175.10 173.32 3fby s PRO 478 N 4.82 -0.21 0.15 2.72 0.02 -1.26 -4.81 135.00 136.44 3fby s PRO 478 Ca 0.90 1.13 -0.26 0.00 0.02 0.00 0.00 61.00 62.80 3fby s PRO 478 Cb -0.40 -1.61 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3fby s PRO 478 CO 0.40 -3.33 1.59 -0.44 -0.33 0.00 0.00 177.00 174.88 3fby h ASP 479 N -2.36 -1.26 -0.31 2.53 3.32 0.23 -3.08 116.42 115.49 3fby h ASP 479 Ca -0.54 0.20 0.09 0.00 0.02 0.00 0.00 57.03 56.79 3fby h ASP 479 Cb 1.31 0.56 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3fby h ASP 479 CO 0.47 -0.36 0.64 0.77 -1.72 0.00 0.00 179.24 179.03 3fby h SER 480 N -0.33 0.00 -1.72 6.45 4.64 -1.91 -2.06 113.55 118.62 3fby h SER 480 Ca 0.14 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.18 3fby h SER 480 Cb 0.57 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.38 3fby h SER 480 CO -0.52 0.00 -0.61 -0.60 -0.87 0.00 0.00 176.83 174.22 3fby s ARG 481 N -4.30 0.64 -0.12 4.77 3.52 -1.19 -5.11 118.95 117.15 3fby s ARG 481 Ca -0.03 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3fby s ARG 481 Cb 0.10 -0.49 0.06 0.00 -1.56 0.00 0.00 34.95 33.06 3fby s ARG 481 CO 0.34 -1.17 0.24 0.34 -0.81 0.00 0.00 175.30 174.25 3fby s ASP 482 N 1.71 0.44 0.21 -2.12 -1.08 -0.78 -4.45 116.67 110.60 3fby s ASP 482 Ca 0.15 0.54 -0.08 0.00 -0.52 0.00 0.00 52.55 52.64 3fby s ASP 482 Cb -0.12 0.62 0.14 0.00 -1.46 0.00 0.00 42.92 42.09 3fby s ASP 482 CO -0.09 -0.24 1.76 -0.55 0.52 0.00 0.00 175.17 176.56 3fby h ASN 483 N 8.30 1.08 -3.79 -0.34 7.08 -1.89 -3.26 115.58 122.76 3fby h ASN 483 Ca -0.14 -0.19 -0.77 0.00 -3.08 0.00 0.00 56.30 52.12 3fby h ASN 483 Cb 1.11 -0.28 -0.28 0.00 -2.08 0.00 0.00 38.32 36.79 3fby h ASN 483 CO 0.14 0.99 0.10 0.00 -2.08 0.00 0.00 177.43 176.57 3fby n ARG 485 N 3.50 0.85 0.00 0.00 0.63 -1.23 -3.37 116.66 117.04 3fby n ARG 485 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3fby n ARG 485 Cb 0.43 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3fby n ARG 485 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fby n LEU 486 N -0.95 0.00 -4.53 6.15 4.77 -1.26 -4.55 117.00 116.62 3fby n LEU 486 Ca 0.18 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 3fby n LEU 486 Cb 0.08 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3fby n LEU 486 CO 0.14 0.00 -0.41 0.68 -1.33 0.00 0.00 177.39 176.47 3fby s VAL 487 N -1.05 3.41 -1.16 4.08 -7.23 -1.22 -4.56 120.40 112.68 3fby s VAL 487 Ca 0.00 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.37 3fby s VAL 487 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3fby s VAL 487 CO 0.00 0.60 1.77 -2.16 -0.31 0.00 0.00 175.10 175.00 3fby s PRO 488 N -0.77 3.27 -0.39 4.82 0.04 -1.26 -4.80 135.00 135.91 3fby s PRO 488 Ca 0.12 -1.36 -0.27 0.00 0.04 0.00 0.00 61.00 59.54 3fby s PRO 488 Cb -0.11 -5.35 0.02 0.00 0.04 0.00 0.00 34.50 29.10 3fby s PRO 488 CO 0.01 -2.93 0.99 0.54 0.04 0.00 0.00 177.00 175.65 3fby s ASN 489 N 5.57 6.70 0.00 6.66 4.22 -1.26 -4.99 114.94 131.84 3fby s ASN 489 Ca 0.59 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.91 3fby s ASN 489 Cb 0.00 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 40.04 3fby s ASN 489 CO 0.05 -0.94 0.00 -2.65 -2.04 0.00 0.00 177.10 171.52 3fby n PRO 490 N 7.00 0.00 -1.93 3.55 -0.02 -1.26 -3.00 135.00 139.34 3fby n PRO 490 Ca 0.09 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.33 3fby n PRO 490 Cb 0.48 -0.06 -0.07 0.00 -0.02 0.00 0.00 33.50 33.83 3fby n PRO 490 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3fby s GLY 491 N 0.00 -0.18 -0.67 -1.23 0.00 -1.26 -4.81 107.32 99.16 3fby s GLY 491 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 44.72 42.75 3fby s GLY 491 CO 0.00 3.75 1.75 -0.18 0.00 0.00 0.00 173.10 178.42 3fby n GLN 492 N 8.43 0.06 -4.36 2.90 7.27 -1.16 -4.87 117.38 125.64 3fby n GLN 492 Ca 0.43 -1.20 -0.26 0.00 0.07 0.00 0.00 57.00 56.05 3fby n GLN 492 Cb 0.46 -3.04 -0.09 0.00 2.41 0.00 0.00 30.24 29.98 3fby n GLN 492 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 3fby s GLU 493 N 7.41 2.07 -0.21 3.69 1.03 -1.26 -4.85 118.70 126.57 3fby s GLU 493 Ca 0.61 -1.88 -0.04 0.00 0.03 0.00 0.00 54.97 53.68 3fby s GLU 493 Cb -0.01 -1.85 0.09 0.00 -0.80 0.00 0.00 34.13 31.55 3fby s GLU 493 CO 0.17 0.02 0.17 0.34 -1.33 0.00 0.00 175.26 174.63 3fby s ASP 494 N -3.76 1.99 0.07 0.83 -1.08 -1.26 -3.42 116.67 110.04 3fby s ASP 494 Ca 0.36 -0.53 -0.29 0.00 -0.52 0.00 0.00 52.55 51.57 3fby s ASP 494 Cb 0.04 0.10 -0.18 0.00 -1.46 0.00 0.00 42.92 41.42 3fby s ASP 494 CO 0.20 -0.35 1.63 0.00 0.52 0.00 0.00 175.17 177.16 3fby h ALA 495 N 8.35 -0.61 0.00 3.66 0.00 -1.91 -3.09 119.26 125.66 3fby h ALA 495 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fby h ALA 495 Cb 1.13 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fby h ALA 495 CO 0.31 -0.83 0.00 -0.40 0.00 0.00 0.00 179.25 178.33 3fby n ASP 496 N -5.34 1.75 -4.22 0.00 5.75 -1.26 -4.82 116.55 108.41 3fby n ASP 496 Ca -0.11 -1.48 -0.30 0.00 -0.01 0.00 0.00 54.79 52.88 3fby n ASP 496 Cb 0.26 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 39.89 3fby n ASP 496 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3fby n ARG 497 N 0.47 -0.91 -4.15 0.11 3.00 -1.17 -4.95 116.66 109.06 3fby n ARG 497 Ca 0.00 0.09 -0.10 0.00 -0.00 0.00 0.00 57.85 57.84 3fby n ARG 497 Cb 0.31 -3.48 -0.10 0.00 0.00 0.00 0.00 32.46 29.19 3fby n ARG 497 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3fby s ASP 498 N -4.13 0.68 0.01 6.15 -4.77 -1.26 -5.09 116.67 108.26 3fby s ASP 498 Ca 0.11 -1.09 -0.02 0.00 -3.30 0.00 0.00 52.55 48.24 3fby s ASP 498 Cb -0.06 0.19 -0.00 0.00 -1.09 0.00 0.00 42.92 41.96 3fby s ASP 498 CO 0.94 -0.61 0.31 0.61 0.70 0.00 0.00 175.17 177.12 3fby n GLY 499 N -0.04 -0.82 3.76 2.12 0.00 -1.26 -4.59 105.19 104.36 3fby n GLY 499 Ca -0.10 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3fby n GLY 499 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fby s VAL 500 N -3.51 2.84 0.07 1.61 0.11 -1.26 -4.49 120.40 115.77 3fby s VAL 500 Ca -0.01 0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 59.55 3fby s VAL 500 Cb 0.01 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.68 3fby s VAL 500 CO 0.04 -0.12 0.10 0.61 -3.33 0.00 0.00 175.10 172.40 3fby n GLY 501 N 0.35 -0.40 0.07 6.54 0.00 -1.25 -4.75 105.19 105.74 3fby n GLY 501 Ca 0.13 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 3fby n GLY 501 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fby h ASP 502 N -0.11 0.05 0.15 1.61 3.32 -1.94 -3.32 116.42 116.18 3fby h ASP 502 Ca -0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3fby h ASP 502 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3fby h ASP 502 CO 0.03 1.05 -0.07 0.58 -1.72 0.00 0.00 179.24 179.11 3fby h VAL 503 N 0.01 0.58 0.00 -1.35 2.07 -1.97 -3.32 116.25 112.28 3fby h VAL 503 Ca -0.11 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3fby h VAL 503 Cb 1.86 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3fby h VAL 503 CO 0.12 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.88 3fby h GLN 505 N 0.18 -0.91 -0.53 0.00 5.75 -1.67 -2.23 115.11 115.70 3fby h GLN 505 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3fby h GLN 505 Cb 0.95 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.71 3fby h GLN 505 CO 0.00 -0.61 0.00 -0.25 -2.65 0.00 0.00 178.83 175.32 3fby n ASP 506 N -5.54 3.44 -3.12 -0.69 10.43 -1.26 -4.75 116.55 115.05 3fby n ASP 506 Ca -0.12 -1.98 -0.18 0.00 2.57 0.00 0.00 54.79 55.08 3fby n ASP 506 Cb 0.44 -0.35 -0.05 0.00 1.84 0.00 0.00 41.12 43.00 3fby n ASP 506 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fby n ASP 507 N 1.15 -1.40 0.33 -2.24 -0.08 -0.85 -0.82 116.55 112.63 3fby n ASP 507 Ca 0.18 -2.67 0.20 0.00 -1.51 0.00 0.00 54.79 51.00 3fby n ASP 507 Cb 0.53 0.28 1.10 0.00 2.34 0.00 0.00 41.12 45.38 3fby n ASP 507 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3fby h PHE 508 N 5.00 0.00 -0.12 -0.67 3.57 -1.68 -1.99 116.94 121.05 3fby h PHE 508 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3fby h PHE 508 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3fby h PHE 508 CO 0.21 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 175.89 3fby n ASP 509 N -3.19 2.46 -0.95 0.41 3.85 -1.18 -4.43 116.55 113.52 3fby n ASP 509 Ca -0.03 -2.22 -0.11 0.00 -0.71 0.00 0.00 54.79 51.73 3fby n ASP 509 Cb 0.14 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 39.70 3fby n ASP 509 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fby n ALA 510 N -0.33 -0.16 0.26 2.12 0.00 -0.75 -4.26 120.51 117.39 3fby n ALA 510 Ca 0.07 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3fby n ALA 510 Cb 0.40 -1.49 0.17 0.00 0.00 0.00 0.00 19.45 18.52 3fby n ALA 510 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fby n ASP 511 N -0.60 2.90 -0.82 0.00 5.75 -1.26 -4.88 116.55 117.63 3fby n ASP 511 Ca -0.11 -2.36 -0.10 0.00 -0.01 0.00 0.00 54.79 52.21 3fby n ASP 511 Cb 0.49 -0.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 3fby n ASP 511 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fby n LYS 512 N 0.28 -1.71 -4.21 0.11 4.01 -1.26 -4.96 118.16 110.41 3fby n LYS 512 Ca 0.12 0.85 -0.34 0.00 -0.51 0.00 0.00 58.31 58.43 3fby n LYS 512 Cb 0.62 -5.24 -0.15 0.00 -0.51 0.00 0.00 35.03 29.75 3fby n LYS 512 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3fby s VAL 513 N -1.86 2.70 0.45 -0.18 1.01 -1.26 -5.10 120.40 116.16 3fby s VAL 513 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3fby s VAL 513 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 3fby s VAL 513 CO 0.00 0.49 1.42 0.52 0.00 0.00 0.00 175.10 177.54 3fby n VAL 514 N 4.45 2.81 -0.29 2.92 0.31 -1.26 -4.43 118.33 122.84 3fby n VAL 514 Ca -0.19 -0.50 0.12 0.00 -0.01 0.00 0.00 64.34 63.75 3fby n VAL 514 Cb 0.51 -1.82 0.28 0.00 -0.91 0.00 0.00 33.84 31.89 3fby n VAL 514 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3fby h ASP 515 N 2.26 0.10 -0.95 4.52 3.32 -1.32 0.51 116.42 124.87 3fby h ASP 515 Ca -0.51 0.17 0.11 0.00 0.02 0.00 0.00 57.03 56.83 3fby h ASP 515 Cb 1.27 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.95 3fby h ASP 515 CO 0.61 -0.09 0.58 0.11 -1.72 0.00 0.00 179.24 178.73 3fby h LYS 516 N 0.28 0.89 0.00 3.56 6.56 -1.89 -2.71 116.57 123.25 3fby h LYS 516 Ca 0.53 -0.05 -0.21 0.00 -1.06 0.00 0.00 60.65 59.86 3fby h LYS 516 Cb 1.02 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 32.45 3fby h LYS 516 CO -0.59 0.59 -1.55 -0.89 -2.06 0.00 0.00 179.45 174.95 3fby n ILE 517 N -4.67 1.30 -1.84 1.86 5.41 0.65 -4.90 119.36 117.17 3fby n ILE 517 Ca 0.17 -0.73 -0.43 0.00 1.00 0.00 0.00 62.75 62.77 3fby n ILE 517 Cb 0.34 -0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 38.43 3fby n ILE 517 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3fby s ASP 518 N -5.83 5.90 0.56 4.38 3.68 0.15 -4.86 116.67 120.64 3fby s ASP 518 Ca -0.04 1.74 0.27 0.00 2.13 0.00 0.00 52.55 56.65 3fby s ASP 518 Cb 0.08 -2.52 1.61 0.00 -1.45 0.00 0.00 42.92 40.65 3fby s ASP 518 CO 0.82 -1.63 2.18 0.58 0.13 0.00 0.00 175.17 177.25 3fby h VAL 519 N 6.66 0.63 -2.16 1.11 2.07 -1.69 -3.26 116.25 119.60 3fby h VAL 519 Ca -0.38 -0.19 -0.50 0.00 0.82 0.00 0.00 66.70 66.45 3fby h VAL 519 Cb 1.20 1.12 -0.34 0.00 -1.52 0.00 0.00 31.29 31.74 3fby h VAL 519 CO 0.99 0.05 -0.86 0.00 0.02 0.00 0.00 177.57 177.77 3fby n PRO 521 N 3.21 0.76 -0.50 0.00 -0.04 -1.23 -1.72 135.00 135.48 3fby n PRO 521 Ca 0.23 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 3fby n PRO 521 Cb 0.47 -1.24 0.07 0.00 -0.04 0.00 0.00 33.50 32.76 3fby n PRO 521 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3fby n GLU 522 N -0.11 0.59 -3.66 0.54 1.02 -1.26 -3.09 120.64 114.67 3fby n GLU 522 Ca 0.00 -1.90 -0.06 0.00 -0.02 0.00 0.00 57.16 55.18 3fby n GLU 522 Cb 0.12 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 3fby n GLU 522 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fby s ASN 523 N -1.99 -0.61 0.03 1.62 3.84 -0.70 -4.95 114.94 112.18 3fby s ASN 523 Ca 0.19 1.22 0.24 0.00 0.21 0.00 0.00 52.86 54.72 3fby s ASN 523 Cb 0.18 1.67 0.99 0.00 -0.55 0.00 0.00 41.25 43.54 3fby s ASN 523 CO -0.02 -0.23 1.76 0.00 -2.79 0.00 0.00 177.10 175.82 3fby n ALA 524 N 5.32 2.08 -0.10 1.71 0.00 -1.26 -3.83 120.51 124.43 3fby n ALA 524 Ca -0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 3fby n ALA 524 Cb 0.50 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 3fby n ALA 524 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3fby n GLU 525 N -1.61 0.82 -3.06 0.00 0.00 -1.26 -4.69 120.64 110.84 3fby n GLU 525 Ca 0.05 0.05 -0.36 0.00 0.00 0.00 0.00 57.16 56.90 3fby n GLU 525 Cb 0.29 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 3fby n GLU 525 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fby s VAL 526 N -2.46 4.53 0.00 3.84 0.11 -1.25 -4.94 120.40 120.23 3fby s VAL 526 Ca -0.18 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 3fby s VAL 526 Cb 0.07 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 3fby s VAL 526 CO 0.68 0.20 0.00 1.07 -3.33 0.00 0.00 175.10 173.72 3fby n THR 527 N 0.70 0.00 -3.71 5.04 5.66 -1.26 -4.56 114.28 116.16 3fby n THR 527 Ca -0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.85 3fby n THR 527 Cb 0.51 -0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.91 3fby n THR 527 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3fby s LEU 528 N -4.21 0.58 -0.61 1.09 2.96 -1.26 -2.01 118.68 115.23 3fby s LEU 528 Ca 0.00 0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.71 3fby s LEU 528 Cb 0.00 1.55 -0.08 0.00 0.50 0.00 0.00 46.19 48.16 3fby s LEU 528 CO 0.00 -0.56 2.32 -0.89 -1.32 0.00 0.00 176.35 175.89 3fby s THR 529 N -1.93 3.07 -0.06 3.68 2.01 -1.26 -4.92 115.64 116.24 3fby s THR 529 Ca -0.09 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.93 3fby s THR 529 Cb -0.02 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.32 3fby s THR 529 CO 0.01 -0.18 -0.09 -0.62 -0.69 0.00 0.00 174.62 173.05 3fby s ASP 530 N 11.13 1.40 0.00 3.53 3.68 -1.26 -4.46 116.67 130.69 3fby s ASP 530 Ca 0.91 -0.22 0.04 0.00 2.13 0.00 0.00 52.55 55.40 3fby s ASP 530 Cb -0.15 -0.66 0.01 0.00 -1.45 0.00 0.00 42.92 40.68 3fby s ASP 530 CO 0.19 -0.00 0.50 0.49 0.13 0.00 0.00 175.17 176.47 3fby n PHE 531 N 3.91 0.00 0.16 -5.34 3.72 0.97 -4.77 117.46 116.11 3fby n PHE 531 Ca -0.24 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.22 3fby n PHE 531 Cb 0.51 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.58 3fby n PHE 531 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3fby h ARG 532 N 0.55 0.20 -6.36 -1.08 0.11 -1.86 -3.25 114.38 102.69 3fby h ARG 532 Ca 0.00 -0.02 -0.54 0.00 0.10 0.00 0.00 59.98 59.52 3fby h ARG 532 Cb 0.14 -0.04 -0.08 0.00 1.11 0.00 0.00 29.97 31.10 3fby h ARG 532 CO 0.00 0.18 1.07 0.00 0.10 0.00 0.00 179.97 181.32 3fby s ALA 533 N -5.10 2.74 0.04 0.08 0.00 -1.26 -5.02 121.76 113.24 3fby s ALA 533 Ca -0.06 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3fby s ALA 533 Cb 0.17 -4.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 3fby s ALA 533 CO 0.70 -3.26 -0.10 -0.59 0.00 0.00 0.00 175.76 172.50 3fby s PHE 534 N 5.88 0.90 0.09 0.00 -0.12 -1.23 -3.50 117.98 119.99 3fby s PHE 534 Ca 0.38 -0.38 -0.22 0.00 -0.05 0.00 0.00 56.93 56.66 3fby s PHE 534 Cb -0.08 -0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 41.71 3fby s PHE 534 CO 0.16 -0.01 0.66 -1.14 -0.05 0.00 0.00 175.22 174.84 3fby s GLN 535 N -1.22 4.37 -0.30 1.99 0.74 0.08 -4.88 119.66 120.44 3fby s GLN 535 Ca -0.03 0.91 -0.05 0.00 0.05 0.00 0.00 55.36 56.24 3fby s GLN 535 Cb -0.08 -3.27 0.02 0.00 1.10 0.00 0.00 33.01 30.78 3fby s GLN 535 CO 0.01 0.55 0.06 -0.08 -0.55 0.00 0.00 175.29 175.28 3fby s THR 536 N -0.92 3.65 -0.26 -0.34 -1.32 -1.26 -0.17 115.64 115.02 3fby s THR 536 Ca 0.32 -0.94 -0.07 0.00 -1.21 0.00 0.00 61.69 59.79 3fby s THR 536 Cb -0.21 -2.96 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 3fby s THR 536 CO 0.22 0.00 0.08 -0.69 -2.21 0.00 0.00 174.62 172.01 3fby s VAL 537 N 1.42 4.24 -0.17 5.08 1.01 0.70 -4.97 120.40 127.71 3fby s VAL 537 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3fby s VAL 537 Cb -0.18 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3fby s VAL 537 CO 0.01 0.27 0.34 0.54 0.00 0.00 0.00 175.10 176.27 3fby s VAL 538 N 1.59 5.26 -1.27 2.92 0.11 -1.26 0.02 120.40 127.77 3fby s VAL 538 Ca 0.06 0.64 0.27 0.00 -2.93 0.00 0.00 61.98 60.01 3fby s VAL 538 Cb -0.16 -3.68 0.20 0.00 -1.53 0.00 0.00 36.38 31.21 3fby s VAL 538 CO 0.03 0.34 1.64 0.18 -3.33 0.00 0.00 175.10 173.96 3fby n LEU 539 N 3.88 0.48 -3.39 2.54 4.32 -1.01 -4.57 117.00 119.26 3fby n LEU 539 Ca -0.10 0.06 -0.18 0.00 -0.02 0.00 0.00 56.01 55.76 3fby n LEU 539 Cb 0.52 -0.26 -0.09 0.00 -1.62 0.00 0.00 43.42 41.96 3fby n LEU 539 CO 0.40 0.10 -0.18 -0.62 -1.22 0.00 0.00 177.39 175.87 3fby s ASP 540 N -2.80 1.60 0.23 -1.43 2.15 -1.26 -2.31 116.67 112.85 3fby s ASP 540 Ca 0.18 -1.18 -0.07 0.00 0.43 0.00 0.00 52.55 51.90 3fby s ASP 540 Cb 0.19 0.45 0.24 0.00 -0.30 0.00 0.00 42.92 43.50 3fby s ASP 540 CO 0.59 -0.33 1.89 1.55 -0.17 0.00 0.00 175.17 178.69 3fby h PRO 541 N 7.72 1.10 -0.89 4.34 0.13 -1.81 -1.87 132.00 140.72 3fby h PRO 541 Ca -0.05 -0.07 0.24 0.00 -0.87 0.00 0.00 66.00 65.25 3fby h PRO 541 Cb 1.06 -0.25 -0.14 0.00 0.13 0.00 0.00 31.00 31.80 3fby h PRO 541 CO 0.28 0.73 0.27 0.93 -0.23 0.00 0.00 178.00 179.97 3fby h GLU 542 N 1.13 0.22 -4.68 0.86 4.39 -1.95 -3.48 114.58 111.07 3fby h GLU 542 Ca 0.34 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.03 3fby h GLU 542 Cb -0.06 -0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 28.45 3fby h GLU 542 CO -0.10 0.14 -1.32 0.41 -1.16 0.00 0.00 179.01 176.99 3fby n GLY 543 N -1.37 -5.16 0.27 -3.84 0.00 -0.70 -4.87 105.19 89.52 3fby n GLY 543 Ca 0.22 1.28 -0.12 0.00 0.00 0.00 0.00 46.02 47.40 3fby n GLY 543 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3fby h ASP 544 N 3.66 -0.51 1.28 1.61 3.58 -1.93 -3.26 116.42 120.84 3fby h ASP 544 Ca -0.41 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3fby h ASP 544 Cb 0.93 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3fby h ASP 544 CO 0.01 -0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.27 3fby n ALA 545 N -2.65 2.24 -1.19 -0.78 0.00 -1.26 -4.91 120.51 111.96 3fby n ALA 545 Ca -0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 3fby n ALA 545 Cb 0.28 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3fby n ALA 545 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3fby n GLN 546 N -2.03 -1.04 -4.55 0.00 -0.06 -1.23 -4.99 117.38 103.48 3fby n GLN 546 Ca 0.06 0.63 -0.33 0.00 -2.00 0.00 0.00 57.00 55.36 3fby n GLN 546 Cb 0.39 -4.61 -0.14 0.00 -4.06 0.00 0.00 30.24 21.82 3fby n GLN 546 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3fby s ILE 547 N -1.95 3.29 0.22 1.69 -1.09 -1.26 -5.04 121.20 117.07 3fby s ILE 547 Ca 0.00 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 57.73 3fby s ILE 547 Cb 0.00 -2.42 -0.08 0.00 -1.58 0.00 0.00 42.46 38.39 3fby s ILE 547 CO 0.00 0.50 0.60 -1.81 -1.23 0.00 0.00 174.94 173.00 3fby s ASP 548 N 0.53 6.75 0.21 3.58 1.01 -1.26 -0.45 116.67 127.04 3fby s ASP 548 Ca -0.07 1.07 -0.32 0.00 0.71 0.00 0.00 52.55 53.95 3fby s ASP 548 Cb -0.15 -2.29 -0.14 0.00 1.01 0.00 0.00 42.92 41.35 3fby s ASP 548 CO 0.03 -0.03 1.37 -0.81 0.21 0.00 0.00 175.17 175.94 3fby n PRO 549 N 0.20 1.81 -3.34 8.23 -0.04 -1.26 -4.82 135.00 135.78 3fby n PRO 549 Ca -0.01 0.64 -0.46 0.00 -0.04 0.00 0.00 63.50 63.63 3fby n PRO 549 Cb 0.52 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 3fby n PRO 549 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3fby s ASN 550 N 0.30 6.47 -0.28 3.54 3.84 -1.26 -5.00 114.94 122.54 3fby s ASN 550 Ca 0.71 -2.31 -0.27 0.00 0.21 0.00 0.00 52.86 51.19 3fby s ASN 550 Cb -0.71 -2.20 0.01 0.00 -0.55 0.00 0.00 41.25 37.80 3fby s ASN 550 CO 0.49 -0.69 0.98 0.26 -2.79 0.00 0.00 177.10 175.35 3fby s TRP 551 N 0.76 3.23 -0.10 0.43 0.52 -1.26 -2.76 118.94 119.76 3fby s TRP 551 Ca 0.12 1.19 0.01 0.00 0.02 0.00 0.00 56.10 57.43 3fby s TRP 551 Cb -0.19 -3.40 -0.02 0.00 -1.15 0.00 0.00 33.47 28.71 3fby s TRP 551 CO -0.04 -0.60 -0.12 0.08 0.02 0.00 0.00 176.95 176.29 3fby s VAL 552 N 3.29 3.17 -0.15 4.03 1.01 0.18 -4.99 120.40 126.93 3fby s VAL 552 Ca 0.41 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3fby s VAL 552 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3fby s VAL 552 CO 0.11 0.55 -0.17 0.54 0.00 0.00 0.00 175.10 176.13 3fby s VAL 553 N -0.08 1.79 0.50 2.92 0.11 -1.26 0.33 120.40 124.71 3fby s VAL 553 Ca -0.02 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 3fby s VAL 553 Cb -0.14 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 3fby s VAL 553 CO 0.04 0.50 0.01 -0.76 -3.33 0.00 0.00 175.10 171.56 3fby s LEU 554 N 1.28 2.39 -1.82 2.54 1.43 0.04 -4.73 118.68 119.82 3fby s LEU 554 Ca 0.02 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 3fby s LEU 554 Cb -0.13 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3fby s LEU 554 CO -0.09 -0.80 0.00 -3.20 0.23 0.00 0.00 176.35 172.48 3fby n ASN 555 N -1.24 -5.73 -3.58 2.29 5.15 -1.26 -1.75 115.26 109.15 3fby n ASN 555 Ca -0.17 0.08 -0.23 0.00 -0.60 0.00 0.00 54.58 53.67 3fby n ASN 555 Cb 0.67 -4.80 0.08 0.00 -0.53 0.00 0.00 39.78 35.20 3fby n ASN 555 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fby n GLN 556 N -2.85 -7.78 -0.93 1.20 6.02 -1.26 -3.02 117.38 108.77 3fby n GLN 556 Ca -0.23 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 3fby n GLN 556 Cb 0.68 -5.88 0.00 0.00 1.02 0.00 0.00 30.24 26.06 3fby n GLN 556 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fby n GLY 557 N -1.88 0.63 0.46 1.08 0.00 -0.71 -4.61 105.19 100.15 3fby n GLY 557 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.28 3fby n GLY 557 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fby n ARG 558 N -2.23 1.66 -3.71 1.61 5.12 -0.97 -0.02 116.66 118.13 3fby n ARG 558 Ca 0.00 -1.53 -0.11 0.00 -1.93 0.00 0.00 57.85 54.28 3fby n ARG 558 Cb 0.10 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.10 3fby n ARG 558 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3fby s GLU 559 N -0.89 0.43 0.07 5.56 2.12 -0.90 0.13 118.70 125.22 3fby s GLU 559 Ca 0.15 0.73 0.08 0.00 0.36 0.00 0.00 54.97 56.29 3fby s GLU 559 Cb 0.09 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 3fby s GLU 559 CO 0.12 -0.13 -0.21 0.42 -0.54 0.00 0.00 175.26 174.92 3fby s ILE 560 N 1.04 1.75 0.07 -3.70 1.01 -0.27 -0.78 121.20 120.32 3fby s ILE 560 Ca -0.07 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.27 3fby s ILE 560 Cb -0.07 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3fby s ILE 560 CO -0.09 0.13 -0.12 0.54 0.00 0.00 0.00 174.94 175.40 3fby s VAL 561 N -0.93 0.96 -0.01 2.92 0.11 0.15 -0.54 120.40 123.06 3fby s VAL 561 Ca 0.08 -1.35 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 3fby s VAL 561 Cb -0.09 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 3fby s VAL 561 CO 0.03 -0.35 -0.05 -1.58 -3.33 0.00 0.00 175.10 169.82 3fby s GLN 562 N -2.00 0.52 -0.03 1.54 -0.44 -0.64 0.47 119.66 119.09 3fby s GLN 562 Ca -0.02 -0.16 0.05 0.00 -2.50 0.00 0.00 55.36 52.73 3fby s GLN 562 Cb -0.08 -0.53 -0.07 0.00 -1.64 0.00 0.00 33.01 30.69 3fby s GLN 562 CO 0.01 0.06 0.07 0.25 0.50 0.00 0.00 175.29 176.18 3fby n THR 563 N 3.26 0.16 -2.88 -0.34 -2.24 -1.11 -1.45 114.28 109.68 3fby n THR 563 Ca -0.17 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 3fby n THR 563 Cb 0.56 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 3fby n THR 563 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3fby s MET 564 N -2.25 3.88 -1.25 -0.78 -1.94 -1.26 -3.66 119.30 112.03 3fby s MET 564 Ca -0.02 0.60 -0.17 0.00 -1.71 0.00 0.00 55.69 54.39 3fby s MET 564 Cb 0.02 -2.36 0.10 0.00 2.01 0.00 0.00 34.83 34.60 3fby s MET 564 CO 0.21 -0.01 1.63 1.21 -0.01 0.00 0.00 175.02 178.05 3fby s ASN 565 N -2.87 6.88 0.17 3.03 2.47 -1.26 -3.59 114.94 119.76 3fby s ASN 565 Ca 0.53 -2.53 0.01 0.00 0.42 0.00 0.00 52.86 51.29 3fby s ASN 565 Cb -0.10 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 3fby s ASN 565 CO 0.27 -1.08 0.10 -1.54 -3.72 0.00 0.00 177.10 171.13 3fby n SER 566 N 7.67 0.23 -4.92 -4.21 3.41 -1.26 -4.85 113.62 109.68 3fby n SER 566 Ca 0.44 -1.17 -0.26 0.00 -0.26 0.00 0.00 58.87 57.63 3fby n SER 566 Cb 0.45 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 3fby n SER 566 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3fby s ASP 567 N -1.45 6.05 0.46 4.04 -0.00 0.40 -2.87 116.67 123.30 3fby s ASP 567 Ca 0.07 0.69 -0.22 0.00 -0.00 0.00 0.00 52.55 53.09 3fby s ASP 567 Cb -0.01 -1.97 -0.10 0.00 -0.00 0.00 0.00 42.92 40.85 3fby s ASP 567 CO 0.05 -0.66 0.83 -2.65 -0.00 0.00 0.00 175.17 172.73 3fby n PRO 568 N -2.22 0.98 -3.58 8.23 -0.02 -1.26 -4.30 135.00 132.82 3fby n PRO 568 Ca 0.01 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 3fby n PRO 568 Cb 0.56 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 3fby n PRO 568 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3fby s GLY 569 N -0.92 -0.33 -0.02 -1.23 0.00 -0.76 -2.39 107.32 101.68 3fby s GLY 569 Ca 0.66 1.47 0.06 0.00 0.00 0.00 0.00 44.72 46.90 3fby s GLY 569 CO 0.55 0.49 -0.19 1.08 0.00 0.00 0.00 173.10 175.03 3fby s LEU 570 N -2.26 2.02 -0.29 0.66 1.43 0.10 -2.47 118.68 117.88 3fby s LEU 570 Ca 0.09 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3fby s LEU 570 Cb -0.01 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 3fby s LEU 570 CO -0.05 0.22 0.15 0.00 0.23 0.00 0.00 176.35 176.89 3fby s ALA 571 N -0.35 3.34 -0.11 4.21 0.00 -0.94 -0.22 121.76 127.69 3fby s ALA 571 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3fby s ALA 571 Cb -0.08 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.72 3fby s ALA 571 CO -0.00 -0.68 -0.09 0.54 0.00 0.00 0.00 175.76 175.53 3fby s VAL 572 N 1.67 1.10 0.71 0.00 0.11 0.76 -1.08 120.40 123.66 3fby s VAL 572 Ca 0.06 -0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 3fby s VAL 572 Cb -0.16 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 3fby s VAL 572 CO 0.07 0.37 1.16 -0.83 -3.33 0.00 0.00 175.10 172.55 3fby s GLY 573 N 1.51 2.22 0.30 6.54 0.00 0.19 -0.74 107.32 117.34 3fby s GLY 573 Ca 0.02 0.72 0.26 0.00 0.00 0.00 0.00 44.72 45.71 3fby s GLY 573 CO -0.06 1.10 1.74 -0.97 0.00 0.00 0.00 173.10 174.90 3fby h TYR 574 N -0.26 0.00 -3.37 1.90 0.05 -1.87 -3.40 116.97 110.02 3fby h TYR 574 Ca -0.47 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.76 3fby h TYR 574 Cb 1.27 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.97 3fby h TYR 574 CO 0.50 0.00 0.09 -0.08 -1.05 0.00 0.00 178.16 177.62 3fby s THR 575 N -3.20 4.86 0.19 -2.88 -1.32 -1.26 -5.01 115.64 107.02 3fby s THR 575 Ca 0.08 1.47 0.09 0.00 -1.21 0.00 0.00 61.69 62.12 3fby s THR 575 Cb 0.10 -4.04 -0.04 0.00 -1.51 0.00 0.00 72.50 67.00 3fby s THR 575 CO 0.59 0.35 -0.12 0.00 -2.21 0.00 0.00 174.62 173.23 3fby s ALA 576 N 0.12 2.87 0.15 11.08 0.00 -1.26 -3.98 121.76 130.73 3fby s ALA 576 Ca 0.36 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3fby s ALA 576 Cb -0.19 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3fby s ALA 576 CO 0.20 0.45 -0.05 -0.06 0.00 0.00 0.00 175.76 176.31 3fby s PHE 577 N -1.72 1.16 0.00 0.00 0.40 -0.79 -4.34 117.98 112.69 3fby s PHE 577 Ca 0.24 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.67 3fby s PHE 577 Cb -0.08 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.80 3fby s PHE 577 CO 0.14 -0.09 0.00 -1.71 0.70 0.00 0.00 175.22 174.26 3fby n ASN 578 N -0.19 0.00 -4.67 1.36 4.05 -1.26 -2.16 115.26 112.40 3fby n ASN 578 Ca -0.09 0.00 -0.46 0.00 0.45 0.00 0.00 54.58 54.48 3fby n ASN 578 Cb 0.62 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.59 3fby n ASN 578 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fby n GLY 579 N 5.00 1.16 3.05 8.20 0.00 -1.26 -4.52 105.19 116.82 3fby n GLY 579 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 3fby n GLY 579 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fby s VAL 580 N 1.35 0.07 -0.05 1.61 0.11 0.85 -2.00 120.40 122.34 3fby s VAL 580 Ca 0.81 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 3fby s VAL 580 Cb -0.69 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 3fby s VAL 580 CO 0.40 -0.32 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.88 3fby s ASP 581 N -1.08 3.94 -0.11 3.54 1.11 0.17 -1.11 116.67 123.14 3fby s ASP 581 Ca -0.12 -0.22 -0.04 0.00 0.18 0.00 0.00 52.55 52.35 3fby s ASP 581 Cb -0.07 -0.82 0.05 0.00 1.07 0.00 0.00 42.92 43.15 3fby s ASP 581 CO 0.01 0.34 0.23 0.12 1.18 0.00 0.00 175.17 177.04 3fby s PHE 582 N -0.69 -0.33 0.00 4.23 5.36 -0.75 -1.33 117.98 124.46 3fby s PHE 582 Ca 0.11 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 3fby s PHE 582 Cb -0.11 -0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.51 3fby s PHE 582 CO 0.00 -0.29 -0.00 -1.83 -1.46 0.00 0.00 175.22 171.65 3fby s GLU 583 N 1.96 0.01 0.24 10.12 -1.05 0.04 0.50 118.70 130.52 3fby s GLU 583 Ca -0.02 -0.01 -0.17 0.00 -0.15 0.00 0.00 54.97 54.61 3fby s GLU 583 Cb -0.12 0.00 0.01 0.00 -0.44 0.00 0.00 34.13 33.59 3fby s GLU 583 CO -0.08 -0.00 0.58 0.20 0.95 0.00 0.00 175.26 176.91 3fby s GLY 584 N -0.03 0.12 -0.20 -3.83 0.00 -0.92 0.33 107.32 102.79 3fby s GLY 584 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 3fby s GLY 584 CO -0.00 -0.32 -0.02 -1.59 0.00 0.00 0.00 173.10 171.17 3fby s THR 585 N -3.94 3.74 -0.18 0.90 2.01 0.16 -0.71 115.64 117.61 3fby s THR 585 Ca 0.14 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 3fby s THR 585 Cb -0.03 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3fby s THR 585 CO 0.05 0.43 0.04 0.12 -0.69 0.00 0.00 174.62 174.57 3fby s PHE 586 N 1.09 3.21 -0.23 4.92 5.36 -0.10 0.36 117.98 132.59 3fby s PHE 586 Ca 0.02 0.00 -0.08 0.00 -0.96 0.00 0.00 56.93 55.91 3fby s PHE 586 Cb -0.14 -2.06 0.10 0.00 -0.34 0.00 0.00 43.02 40.58 3fby s PHE 586 CO 0.01 0.12 0.50 -1.58 -1.46 0.00 0.00 175.22 172.81 3fby s HIS 587 N 0.38 -0.98 -0.47 10.12 5.65 -0.58 -0.61 115.29 128.79 3fby s HIS 587 Ca 0.02 1.81 -0.16 0.00 0.25 0.00 0.00 55.06 56.98 3fby s HIS 587 Cb -0.13 0.48 0.07 0.00 -1.18 0.00 0.00 32.58 31.82 3fby s HIS 587 CO 0.01 -0.54 0.41 0.54 -0.65 0.00 0.00 174.74 174.51 3fby s VAL 588 N 2.65 5.20 -0.99 0.89 0.11 -1.26 -0.27 120.40 126.73 3fby s VAL 588 Ca -0.04 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 57.97 3fby s VAL 588 Cb -0.12 -4.13 -0.16 0.00 -1.53 0.00 0.00 36.38 30.45 3fby s VAL 588 CO -0.15 -0.58 3.18 -3.20 -3.33 0.00 0.00 175.10 171.03 3fby n ASN 589 N 5.31 7.31 -3.63 3.54 4.05 -0.63 -1.13 115.26 130.07 3fby n ASN 589 Ca -0.12 -2.52 -0.05 0.00 0.45 0.00 0.00 54.58 52.34 3fby n ASN 589 Cb 0.44 -1.49 -0.06 0.00 1.23 0.00 0.00 39.78 39.91 3fby n ASN 589 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3fby s THR 590 N 1.76 0.00 0.14 -0.44 -1.32 -1.26 -4.92 115.64 109.60 3fby s THR 590 Ca 0.68 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.04 3fby s THR 590 Cb 0.23 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 3fby s THR 590 CO -0.04 0.00 1.54 0.58 -2.21 0.00 0.00 174.62 174.49 3fby h VAL 591 N 2.77 1.27 -4.16 5.08 2.07 -1.96 -3.37 116.25 117.95 3fby h VAL 591 Ca -0.20 -1.29 -0.51 0.00 0.82 0.00 0.00 66.70 65.52 3fby h VAL 591 Cb 1.19 1.16 0.09 0.00 -1.52 0.00 0.00 31.29 32.21 3fby h VAL 591 CO 0.20 0.44 0.39 0.42 0.02 0.00 0.00 177.57 179.04 3fby s THR 592 N -4.73 3.21 0.22 2.57 -4.23 -1.26 -4.82 115.64 106.60 3fby s THR 592 Ca -0.12 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 3fby s THR 592 Cb 0.11 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3fby s THR 592 CO 0.85 -0.29 0.00 0.47 -0.54 0.00 0.00 174.62 175.10 3fby n ASP 593 N -2.06 -6.12 -2.41 3.99 8.00 -1.26 -4.84 116.55 111.85 3fby n ASP 593 Ca 0.11 1.01 -0.02 0.00 0.71 0.00 0.00 54.79 56.60 3fby n ASP 593 Cb 0.52 -2.85 0.10 0.00 -0.02 0.00 0.00 41.12 38.87 3fby n ASP 593 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fby n ASP 594 N -3.23 -1.18 0.00 -2.24 5.68 -1.26 -5.03 116.55 109.29 3fby n ASP 594 Ca 0.01 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3fby n ASP 594 Cb 0.43 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 3fby n ASP 594 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3fby n ASP 595 N -1.23 0.00 -4.64 -1.12 8.00 -1.26 -2.47 116.55 113.83 3fby n ASP 595 Ca -0.15 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.01 3fby n ASP 595 Cb 0.80 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.80 3fby n ASP 595 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3fby s TYR 596 N 4.48 3.10 0.06 1.24 1.51 -0.94 -3.01 117.35 123.79 3fby s TYR 596 Ca 0.00 0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.13 3fby s TYR 596 Cb 0.00 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3fby s TYR 596 CO 0.00 0.39 0.06 0.00 -1.11 0.00 0.00 175.55 174.88 3fby s ALA 597 N -0.73 0.17 -0.02 3.71 0.00 -1.10 -2.18 121.76 121.61 3fby s ALA 597 Ca 0.11 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 3fby s ALA 597 Cb -0.11 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3fby s ALA 597 CO 0.02 -0.39 0.75 0.41 0.00 0.00 0.00 175.76 176.55 3fby n GLY 598 N 0.28 0.38 3.42 0.00 0.00 0.14 -0.52 105.19 108.89 3fby n GLY 598 Ca -0.16 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 3fby n GLY 598 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fby s PHE 599 N -2.44 1.89 -0.04 1.61 -0.12 0.79 -1.16 117.98 118.50 3fby s PHE 599 Ca 0.18 -0.94 -0.00 0.00 -0.05 0.00 0.00 56.93 56.12 3fby s PHE 599 Cb -0.00 -1.19 0.03 0.00 -0.63 0.00 0.00 43.02 41.22 3fby s PHE 599 CO -0.00 0.01 0.00 0.42 -0.05 0.00 0.00 175.22 175.60 3fby s ILE 600 N -3.31 0.26 0.14 -4.49 -1.09 0.12 -1.44 121.20 111.38 3fby s ILE 600 Ca 0.35 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.91 3fby s ILE 600 Cb 0.08 -0.38 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 3fby s ILE 600 CO 0.14 0.19 -0.09 0.72 -1.23 0.00 0.00 174.94 174.68 3fby s PHE 601 N 1.41 1.19 -1.54 3.97 -0.12 -0.76 -0.63 117.98 121.50 3fby s PHE 601 Ca -0.04 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 55.98 3fby s PHE 601 Cb -0.13 -0.63 0.01 0.00 -0.63 0.00 0.00 43.02 41.65 3fby s PHE 601 CO -0.03 0.02 0.60 0.41 -0.05 0.00 0.00 175.22 176.17 3fby n GLY 602 N -0.17 -0.52 3.66 1.99 0.00 -0.95 -1.29 105.19 107.90 3fby n GLY 602 Ca -0.10 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3fby n GLY 602 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fby s TYR 603 N -3.16 2.40 -0.12 1.61 5.04 -0.73 -4.10 117.35 118.29 3fby s TYR 603 Ca 0.32 0.56 0.06 0.00 -2.44 0.00 0.00 57.07 55.56 3fby s TYR 603 Cb -0.14 -3.74 -0.11 0.00 0.35 0.00 0.00 41.96 38.32 3fby s TYR 603 CO 0.39 -2.92 -0.03 1.04 -1.34 0.00 0.00 175.55 172.70 3fby n GLN 604 N 6.70 1.46 -2.77 4.97 6.02 0.20 -0.41 117.38 133.55 3fby n GLN 604 Ca 0.15 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 57.16 3fby n GLN 604 Cb 0.44 -1.27 0.01 0.00 1.02 0.00 0.00 30.24 30.44 3fby n GLN 604 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3fby n ASP 605 N -2.60 -0.99 0.00 1.08 5.68 -1.23 -4.98 116.55 113.51 3fby n ASP 605 Ca -0.20 -1.53 0.04 0.00 -0.50 0.00 0.00 54.79 52.60 3fby n ASP 605 Cb 0.80 1.61 0.22 0.00 -1.14 0.00 0.00 41.12 42.61 3fby n ASP 605 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3fby n SER 606 N -1.00 0.00 0.00 -1.12 3.41 -1.25 -2.36 113.62 111.31 3fby n SER 606 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3fby n SER 606 Cb 0.32 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3fby n SER 606 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fby n SER 607 N -1.21 1.34 -3.24 4.04 7.64 -1.26 -4.40 113.62 116.53 3fby n SER 607 Ca 0.05 -1.51 -0.15 0.00 1.01 0.00 0.00 58.87 58.27 3fby n SER 607 Cb 0.06 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 3fby n SER 607 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3fby s SER 608 N -0.51 0.45 0.19 6.43 0.01 -0.99 -1.41 113.70 117.86 3fby s SER 608 Ca 0.00 -1.82 -0.14 0.00 1.31 0.00 0.00 55.95 55.30 3fby s SER 608 Cb 0.00 0.77 0.01 0.00 0.21 0.00 0.00 66.02 67.01 3fby s SER 608 CO 0.00 -0.19 0.42 0.72 0.41 0.00 0.00 173.24 174.60 3fby s PHE 609 N 1.10 0.13 -0.08 2.43 -0.12 -0.61 -0.63 117.98 120.20 3fby s PHE 609 Ca 0.22 -0.48 -0.09 0.00 -0.05 0.00 0.00 56.93 56.53 3fby s PHE 609 Cb -0.08 0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.46 3fby s PHE 609 CO -0.06 -0.85 0.23 0.71 -0.05 0.00 0.00 175.22 175.19 3fby s TYR 610 N -3.92 3.64 -0.04 3.49 1.51 -0.41 0.06 117.35 121.67 3fby s TYR 610 Ca 0.13 0.67 0.01 0.00 -1.01 0.00 0.00 57.07 56.87 3fby s TYR 610 Cb 0.01 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3fby s TYR 610 CO -0.01 0.71 -0.04 0.54 -1.11 0.00 0.00 175.55 175.64 3fby s VAL 611 N -1.06 0.52 -0.22 0.71 0.11 0.28 -1.83 120.40 118.91 3fby s VAL 611 Ca 0.18 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3fby s VAL 611 Cb -0.13 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 3fby s VAL 611 CO 0.07 0.22 0.02 -0.69 -3.33 0.00 0.00 175.10 171.40 3fby s VAL 612 N 0.86 4.08 0.16 2.04 1.01 -0.52 0.12 120.40 128.15 3fby s VAL 612 Ca -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3fby s VAL 612 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3fby s VAL 612 CO 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 175.10 175.50 3fby s MET 613 N 1.22 1.07 -0.20 2.72 0.23 -0.57 -0.15 119.30 123.61 3fby s MET 613 Ca 0.04 -1.51 -0.06 0.00 -1.03 0.00 0.00 55.69 53.13 3fby s MET 613 Cb -0.15 -0.23 0.10 0.00 -1.53 0.00 0.00 34.83 33.03 3fby s MET 613 CO 0.02 -0.13 0.42 -0.46 -2.03 0.00 0.00 175.02 172.84 3fby s TRP 614 N -3.68 -0.81 0.01 3.16 -0.00 0.32 -1.43 118.94 116.51 3fby s TRP 614 Ca 0.23 1.46 -0.04 0.00 -0.00 0.00 0.00 56.10 57.75 3fby s TRP 614 Cb 0.06 0.28 -0.04 0.00 -0.00 0.00 0.00 33.47 33.77 3fby s TRP 614 CO 0.03 -0.51 0.23 0.21 -0.00 0.00 0.00 176.95 176.91 3fby s LYS 615 N 2.61 3.51 0.03 5.86 2.20 -1.26 -2.73 119.74 129.97 3fby s LYS 615 Ca -0.00 -0.21 -0.17 0.00 -0.36 0.00 0.00 55.97 55.23 3fby s LYS 615 Cb -0.12 -3.07 -0.26 0.00 -1.51 0.00 0.00 37.83 32.87 3fby s LYS 615 CO -0.13 0.65 1.10 0.37 -0.36 0.00 0.00 175.35 176.98 3fby h GLN 616 N 3.79 0.54 -4.46 4.03 4.15 -1.39 -3.26 115.11 118.50 3fby h GLN 616 Ca -0.49 -0.64 -0.38 0.00 0.77 0.00 0.00 58.65 57.91 3fby h GLN 616 Cb 1.19 0.20 -0.30 0.00 0.21 0.00 0.00 27.48 28.78 3fby h GLN 616 CO 0.68 1.25 -0.77 1.41 -1.93 0.00 0.00 178.83 179.48 3fby s MET 617 N -3.10 0.70 0.14 1.69 1.75 -1.13 -3.80 119.30 115.55 3fby s MET 617 Ca -0.11 -0.24 -0.31 0.00 -1.25 0.00 0.00 55.69 53.77 3fby s MET 617 Cb 0.05 -0.67 -0.11 0.00 2.84 0.00 0.00 34.83 36.93 3fby s MET 617 CO 0.88 0.11 1.81 -1.91 -0.65 0.00 0.00 175.02 175.26 3fby n GLU 618 N 3.16 2.79 -3.78 4.11 2.13 -1.26 -4.68 120.64 123.12 3fby n GLU 618 Ca -0.16 1.01 -0.13 0.00 0.66 0.00 0.00 57.16 58.55 3fby n GLU 618 Cb 0.56 -2.90 -0.12 0.00 0.27 0.00 0.00 31.44 29.25 3fby n GLU 618 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3fby s GLN 619 N 2.37 0.27 -0.33 5.31 0.74 -0.86 -5.00 119.66 122.14 3fby s GLN 619 Ca 0.80 0.37 -0.19 0.00 0.05 0.00 0.00 55.36 56.40 3fby s GLN 619 Cb -0.49 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.70 3fby s GLN 619 CO 0.36 -0.06 0.54 -0.08 -0.55 0.00 0.00 175.29 175.51 3fby s THR 620 N 0.34 5.00 0.30 -0.34 -1.32 -1.26 -1.12 115.64 117.22 3fby s THR 620 Ca -0.02 0.51 -0.29 0.00 -1.21 0.00 0.00 61.69 60.68 3fby s THR 620 Cb -0.03 -3.96 -0.13 0.00 -1.51 0.00 0.00 72.50 66.87 3fby s THR 620 CO -0.01 -0.18 1.31 0.00 -2.21 0.00 0.00 174.62 173.52 3fby n TYR 621 N 5.78 2.14 0.50 9.09 9.36 0.00 -4.88 117.16 139.15 3fby n TYR 621 Ca -0.04 0.52 0.12 0.00 3.32 0.00 0.00 57.90 61.83 3fby n TYR 621 Cb 0.49 -2.42 0.46 0.00 -0.63 0.00 0.00 39.34 37.24 3fby n TYR 621 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 3fby n TRP 622 N 0.91 0.80 -3.00 2.98 2.14 -1.26 -4.41 117.44 115.61 3fby n TRP 622 Ca 0.08 0.28 -0.43 0.00 2.07 0.00 0.00 57.50 59.50 3fby n TRP 622 Cb 0.34 -0.95 -0.05 0.00 -0.81 0.00 0.00 31.31 29.83 3fby n TRP 622 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 3fby s GLN 623 N -3.22 3.30 0.00 -2.67 -0.21 -1.26 -4.94 119.66 110.66 3fby s GLN 623 Ca 0.07 -0.37 0.23 0.00 0.02 0.00 0.00 55.36 55.31 3fby s GLN 623 Cb 0.11 -4.01 1.35 0.00 1.00 0.00 0.00 33.01 31.45 3fby s GLN 623 CO 0.46 -1.23 1.77 0.00 -2.12 0.00 0.00 175.29 174.18 3fby n ALA 624 N 6.73 2.33 -2.14 6.09 0.00 -1.26 -4.65 120.51 127.60 3fby n ALA 624 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 3fby n ALA 624 Cb 0.47 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3fby n ALA 624 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fby s ASN 625 N -2.15 0.37 0.28 0.00 2.20 -1.26 -3.01 114.94 111.36 3fby s ASN 625 Ca 0.32 -1.17 0.15 0.00 -0.94 0.00 0.00 52.86 51.23 3fby s ASN 625 Cb 0.16 0.27 1.00 0.00 -2.00 0.00 0.00 41.25 40.68 3fby s ASN 625 CO 0.29 -0.70 1.19 -0.81 -2.94 0.00 0.00 177.10 174.13 3fby n PRO 626 N -0.06 -0.05 -3.81 3.55 -0.04 -1.26 -4.94 135.00 128.40 3fby n PRO 626 Ca -0.07 1.04 -0.09 0.00 -0.04 0.00 0.00 63.50 64.34 3fby n PRO 626 Cb 0.63 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3fby n PRO 626 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3fby s PHE 627 N -5.16 -0.07 0.09 0.54 -0.71 -1.22 -5.13 117.98 106.33 3fby s PHE 627 Ca -0.07 -0.31 -0.31 0.00 -1.04 0.00 0.00 56.93 55.20 3fby s PHE 627 Cb 0.25 0.46 -0.09 0.00 -1.21 0.00 0.00 43.02 42.44 3fby s PHE 627 CO 0.59 -1.03 1.64 0.50 -1.34 0.00 0.00 175.22 175.58 3fby s ARG 628 N -3.91 4.20 -0.26 1.99 3.52 -1.16 -4.66 118.95 118.66 3fby s ARG 628 Ca 0.12 2.35 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 3fby s ARG 628 Cb -0.02 -3.50 0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3fby s ARG 628 CO 0.02 -0.71 -0.08 0.00 -0.81 0.00 0.00 175.30 173.71 3fby s ALA 629 N 2.32 2.63 -0.26 6.12 0.00 -1.26 -5.03 121.76 126.28 3fby s ALA 629 Ca 0.73 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3fby s ALA 629 Cb -0.41 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 3fby s ALA 629 CO 0.32 -1.15 0.23 0.08 0.00 0.00 0.00 175.76 175.25 3fby s VAL 630 N 1.16 5.29 -0.12 0.00 1.01 -1.26 -0.82 120.40 125.66 3fby s VAL 630 Ca -0.07 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3fby s VAL 630 Cb -0.19 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3fby s VAL 630 CO -0.04 0.27 0.16 0.00 0.00 0.00 0.00 175.10 175.48 3fby s ALA 631 N 1.54 3.84 0.10 5.51 0.00 -0.28 -1.84 121.76 130.64 3fby s ALA 631 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3fby s ALA 631 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3fby s ALA 631 CO 0.08 0.54 0.13 -1.21 0.00 0.00 0.00 175.76 175.30 3fby s GLU 632 N -0.83 2.99 0.50 0.00 2.02 -1.26 -2.04 118.70 120.08 3fby s GLU 632 Ca 0.15 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.27 3fby s GLU 632 Cb -0.12 -2.76 -0.08 0.00 0.10 0.00 0.00 34.13 31.27 3fby s GLU 632 CO 0.04 0.55 0.96 -1.25 0.02 0.00 0.00 175.26 175.57 3fby s PRO 633 N -2.66 3.95 0.00 0.39 0.04 -1.26 -4.54 135.00 130.92 3fby s PRO 633 Ca 0.31 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3fby s PRO 633 Cb -0.12 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3fby s PRO 633 CO 0.24 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.46 3fby n GLY 634 N -1.49 2.74 3.51 0.56 0.00 -1.06 -3.75 105.19 105.70 3fby n GLY 634 Ca 0.06 -1.14 -0.52 0.00 0.00 0.00 0.00 46.02 44.42 3fby n GLY 634 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fby n ILE 635 N 1.05 0.84 -4.56 -0.61 -0.00 -1.26 -4.47 119.36 110.35 3fby n ILE 635 Ca 0.00 -0.21 -0.26 0.00 -0.00 0.00 0.00 62.75 62.28 3fby n ILE 635 Cb 0.00 -0.35 -0.14 0.00 -0.00 0.00 0.00 39.64 39.16 3fby n ILE 635 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3fby s GLN 636 N -0.38 1.39 -0.16 0.38 -0.21 -0.51 -0.73 119.66 119.43 3fby s GLN 636 Ca 0.77 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3fby s GLN 636 Cb -1.02 -1.61 0.04 0.00 1.00 0.00 0.00 33.01 31.42 3fby s GLN 636 CO 0.55 0.40 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.86 3fby s LEU 637 N -1.50 1.76 0.03 2.90 2.96 0.26 -1.51 118.68 123.58 3fby s LEU 637 Ca 0.09 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3fby s LEU 637 Cb -0.09 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3fby s LEU 637 CO 0.03 -0.14 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.21 3fby s LYS 638 N 1.54 1.20 -0.19 1.98 1.02 0.12 0.07 119.74 125.47 3fby s LYS 638 Ca 0.02 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 3fby s LYS 638 Cb -0.15 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 3fby s LYS 638 CO -0.09 0.32 0.04 0.00 -0.92 0.00 0.00 175.35 174.70 3fby s ALA 639 N -0.72 3.26 -0.37 5.17 0.00 -0.02 -0.56 121.76 128.52 3fby s ALA 639 Ca 0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 3fby s ALA 639 Cb -0.08 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 21.21 3fby s ALA 639 CO 0.01 0.03 0.17 0.08 0.00 0.00 0.00 175.76 176.05 3fby s VAL 640 N 0.65 4.09 -0.44 0.00 1.01 0.11 -1.55 120.40 124.27 3fby s VAL 640 Ca 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3fby s VAL 640 Cb -0.13 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.03 3fby s VAL 640 CO 0.02 -0.27 0.28 -0.75 0.00 0.00 0.00 175.10 174.37 3fby s LYS 641 N 1.45 1.20 -0.24 2.72 2.47 -1.06 -1.58 119.74 124.70 3fby s LYS 641 Ca 0.00 -2.03 -0.10 0.00 -1.56 0.00 0.00 55.97 52.29 3fby s LYS 641 Cb -0.20 -2.09 -0.04 0.00 -1.46 0.00 0.00 37.83 34.04 3fby s LYS 641 CO 0.04 -1.22 0.14 0.45 0.16 0.00 0.00 175.35 174.91 3fby s SER 642 N 0.26 5.82 0.32 1.43 0.15 -0.50 -4.14 113.70 117.04 3fby s SER 642 Ca 0.21 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.94 3fby s SER 642 Cb -0.17 -2.05 0.54 0.00 -1.71 0.00 0.00 66.02 62.63 3fby s SER 642 CO -0.05 0.03 1.76 0.77 1.20 0.00 0.00 173.24 176.96 3fby h SER 643 N 7.76 0.27 0.61 5.45 4.64 -1.88 -3.28 113.55 127.12 3fby h SER 643 Ca -0.37 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 60.58 3fby h SER 643 Cb 1.18 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3fby h SER 643 CO 0.62 0.58 -1.27 0.71 -0.87 0.00 0.00 176.83 176.60 3fby h THR 644 N 0.23 1.47 -0.55 2.95 1.35 -1.94 -3.51 112.91 112.91 3fby h THR 644 Ca 0.03 -3.04 0.07 0.00 -0.55 0.00 0.00 66.41 62.92 3fby h THR 644 Cb 0.68 2.94 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 3fby h THR 644 CO 0.05 0.89 -0.09 0.61 -0.25 0.00 0.00 175.52 176.73 3fby n GLY 645 N 1.55 -2.19 3.71 5.82 0.00 -1.24 -4.86 105.19 107.98 3fby n GLY 645 Ca -0.09 -1.47 -0.63 0.00 0.00 0.00 0.00 46.02 43.83 3fby n GLY 645 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fby n PRO 646 N -1.51 0.53 -0.83 1.61 -0.04 -1.26 -4.48 135.00 129.02 3fby n PRO 646 Ca 0.00 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3fby n PRO 646 Cb 0.11 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3fby n PRO 646 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fby n GLY 647 N 4.30 0.67 0.20 0.55 0.00 -0.98 -4.59 105.19 105.34 3fby n GLY 647 Ca 0.30 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3fby n GLY 647 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fby h GLU 648 N 0.00 -0.13 -0.20 1.61 5.08 -1.89 -1.41 114.58 117.64 3fby h GLU 648 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3fby h GLU 648 Cb 0.00 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3fby h GLU 648 CO 0.00 -0.09 -0.12 1.96 -1.00 0.00 0.00 179.01 179.77 3fby h GLN 649 N -0.13 -0.10 -0.25 2.33 1.08 -1.94 -1.71 115.11 114.40 3fby h GLN 649 Ca 0.13 0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 57.14 3fby h GLN 649 Cb 0.33 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3fby h GLN 649 CO -0.32 -0.07 -0.62 1.25 -0.95 0.00 0.00 178.83 178.13 3fby h LEU 650 N -0.10 0.95 0.23 1.46 5.85 -1.78 -1.06 115.31 120.86 3fby h LEU 650 Ca 0.11 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3fby h LEU 650 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3fby h LEU 650 CO -0.27 1.34 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.68 3fby h ARG 651 N 0.62 -0.66 -0.86 1.25 2.43 -0.84 0.30 114.38 116.62 3fby h ARG 651 Ca -0.01 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3fby h ARG 651 Cb 1.23 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 3fby h ARG 651 CO 0.13 -0.44 0.43 -0.91 -1.51 0.00 0.00 179.97 177.68 3fby h ASN 652 N -0.68 1.11 -0.20 -3.80 4.21 -1.40 -2.37 115.58 112.45 3fby h ASN 652 Ca -0.03 -0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.42 3fby h ASN 652 Cb 0.64 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.49 3fby h ASN 652 CO -0.15 0.92 -0.23 0.00 -1.29 0.00 0.00 177.43 176.69 3fby h ALA 653 N 1.25 -0.13 -0.89 -0.83 0.00 -0.76 -2.19 119.26 115.70 3fby h ALA 653 Ca 0.30 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.33 3fby h ALA 653 Cb 0.09 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3fby h ALA 653 CO -0.04 -0.66 0.58 -0.07 0.00 0.00 0.00 179.25 179.06 3fby h LEU 654 N -0.25 0.91 -0.53 0.00 3.38 0.10 -2.69 115.31 116.23 3fby h LEU 654 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3fby h LEU 654 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fby h LEU 654 CO -0.35 0.59 -0.50 -0.25 0.09 0.00 0.00 178.44 178.03 3fby h TRP 655 N 1.03 0.77 -2.87 1.13 2.91 -1.10 -3.44 115.95 114.37 3fby h TRP 655 Ca 0.38 -0.25 -0.53 0.00 1.13 0.00 0.00 58.89 59.62 3fby h TRP 655 Cb 0.16 -0.15 0.04 0.00 -0.51 0.00 0.00 29.16 28.70 3fby h TRP 655 CO -0.00 0.99 0.84 -1.58 -1.03 0.00 0.00 178.44 177.66 3fby s HIS 656 N -4.11 3.10 -0.55 2.65 2.46 -0.86 -3.99 115.29 114.00 3fby s HIS 656 Ca -0.08 0.72 -0.25 0.00 0.47 0.00 0.00 55.06 55.92 3fby s HIS 656 Cb 0.11 -3.85 0.04 0.00 -0.13 0.00 0.00 32.58 28.75 3fby s HIS 656 CO 0.84 -3.12 0.97 0.99 -2.47 0.00 0.00 174.74 171.95 3fby s THR 657 N 1.17 4.36 0.00 0.89 2.01 -0.77 -4.87 115.64 118.43 3fby s THR 657 Ca 0.68 0.38 0.00 0.00 0.31 0.00 0.00 61.69 63.07 3fby s THR 657 Cb -0.42 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 67.55 3fby s THR 657 CO 0.31 -1.11 0.00 0.61 -0.69 0.00 0.00 174.62 173.74 3fby n GLY 658 N 5.10 4.03 3.75 4.40 0.00 -1.26 -4.89 105.19 116.31 3fby n GLY 658 Ca 0.03 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3fby n GLY 658 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fby n ASP 659 N 0.00 2.85 -3.82 1.61 8.00 -1.26 -4.50 116.55 119.44 3fby n ASP 659 Ca 0.00 1.01 -0.24 0.00 0.71 0.00 0.00 54.79 56.28 3fby n ASP 659 Cb 0.00 -1.58 -0.17 0.00 -0.02 0.00 0.00 41.12 39.34 3fby n ASP 659 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fby s THR 660 N -1.26 0.57 -0.34 -3.53 2.01 0.12 -4.97 115.64 108.24 3fby s THR 660 Ca 0.69 -0.01 -0.45 0.00 0.31 0.00 0.00 61.69 62.23 3fby s THR 660 Cb -0.43 -0.68 -0.20 0.00 0.01 0.00 0.00 72.50 71.21 3fby s THR 660 CO 0.51 0.29 1.45 -0.62 -0.69 0.00 0.00 174.62 175.56 3fby n GLU 661 N 4.99 0.07 -1.32 4.92 -0.58 -1.26 -0.53 120.64 126.92 3fby n GLU 661 Ca -0.10 0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.55 3fby n GLU 661 Cb 0.50 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 3fby n GLU 661 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3fby n SER 662 N 3.33 -5.69 0.00 1.62 2.88 -1.26 -4.76 113.62 109.74 3fby n SER 662 Ca 0.27 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 3fby n SER 662 Cb -0.01 -4.21 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 3fby n SER 662 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3fby n GLN 663 N -0.84 0.00 -4.44 -1.46 -0.06 0.31 -3.29 117.38 107.59 3fby n GLN 663 Ca -0.11 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.69 3fby n GLN 663 Cb 0.60 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.63 3fby n GLN 663 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3fby s VAL 664 N -0.95 0.92 -0.18 1.69 1.01 -0.94 -2.55 120.40 119.39 3fby s VAL 664 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3fby s VAL 664 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3fby s VAL 664 CO 0.00 0.17 -0.11 -0.13 0.00 0.00 0.00 175.10 175.03 3fby s ARG 665 N -0.49 3.27 -0.30 2.72 0.52 -0.59 0.14 118.95 124.20 3fby s ARG 665 Ca 0.03 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 3fby s ARG 665 Cb -0.05 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.66 3fby s ARG 665 CO -0.00 -0.08 1.11 -1.17 0.02 0.00 0.00 175.30 175.17 3fby s LEU 666 N 1.10 3.95 0.00 2.53 0.20 -1.26 -0.84 118.68 124.37 3fby s LEU 666 Ca 0.00 1.13 0.03 0.00 0.69 0.00 0.00 54.13 55.98 3fby s LEU 666 Cb -0.14 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.13 3fby s LEU 666 CO -0.03 -0.88 0.86 0.00 -0.29 0.00 0.00 176.35 176.01 3fby n LEU 667 N 6.89 1.79 -3.54 -0.68 -0.00 0.11 -4.83 117.00 116.75 3fby n LEU 667 Ca 0.12 -1.56 0.01 0.00 -0.00 0.00 0.00 56.01 54.58 3fby n LEU 667 Cb 0.47 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 3fby n LEU 667 CO 0.59 0.44 0.80 0.86 -0.00 0.00 0.00 177.39 180.07 3fby s TRP 668 N -0.66 -0.37 -0.07 1.47 -0.00 -1.00 -4.95 118.94 113.35 3fby s TRP 668 Ca 0.05 0.71 -0.01 0.00 -0.00 0.00 0.00 56.10 56.85 3fby s TRP 668 Cb 0.03 0.22 -0.03 0.00 -0.00 0.00 0.00 33.47 33.69 3fby s TRP 668 CO 0.04 -0.19 -0.03 0.21 -0.00 0.00 0.00 176.95 176.99 3fby s LYS 669 N 1.56 2.87 -0.03 5.86 2.20 -1.26 -0.57 119.74 130.37 3fby s LYS 669 Ca -0.06 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 3fby s LYS 669 Cb -0.03 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 3fby s LYS 669 CO -0.14 0.68 1.47 0.34 -0.36 0.00 0.00 175.35 177.35 3fby s ASP 670 N -0.91 6.79 0.58 1.43 2.15 0.09 -4.88 116.67 121.93 3fby s ASP 670 Ca 0.13 2.11 0.28 0.00 0.43 0.00 0.00 52.55 55.51 3fby s ASP 670 Cb -0.11 -2.55 1.70 0.00 -0.30 0.00 0.00 42.92 41.66 3fby s ASP 670 CO 0.03 -0.80 2.17 -0.65 -0.17 0.00 0.00 175.17 175.75 3fby h PRO 671 N 8.41 0.00 -0.05 4.34 0.11 -1.95 -0.86 132.00 142.01 3fby h PRO 671 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3fby h PRO 671 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fby h PRO 671 CO 0.93 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.73 3fby h ARG 672 N 0.00 0.06 -6.61 1.05 3.08 -1.95 -3.47 114.38 106.55 3fby h ARG 672 Ca 0.04 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.57 3fby h ARG 672 Cb 0.24 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.31 3fby h ARG 672 CO -0.00 0.06 -0.98 -1.71 -1.07 0.00 0.00 179.97 176.28 3fby n ASN 673 N -4.50 -4.52 -4.35 7.04 5.15 -0.33 -4.99 115.26 108.75 3fby n ASN 673 Ca -0.02 -1.17 -0.32 0.00 -0.60 0.00 0.00 54.58 52.47 3fby n ASN 673 Cb 0.11 -2.48 -0.15 0.00 -0.53 0.00 0.00 39.78 36.73 3fby n ASN 673 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fby s VAL 674 N -3.52 2.69 0.96 3.44 1.01 -1.25 -4.68 120.40 119.05 3fby s VAL 674 Ca 0.47 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3fby s VAL 674 Cb -0.22 -2.06 0.17 0.00 0.00 0.00 0.00 36.38 34.27 3fby s VAL 674 CO 0.92 0.56 1.18 -0.83 0.00 0.00 0.00 175.10 176.93 3fby s GLY 675 N -0.06 1.62 0.61 4.51 0.00 -1.25 -2.56 107.32 110.20 3fby s GLY 675 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 3fby s GLY 675 CO 0.04 -0.10 1.04 0.66 0.00 0.00 0.00 173.10 174.74 3fby s TRP 676 N -3.40 3.21 0.20 1.90 1.48 -1.25 -4.88 118.94 116.20 3fby s TRP 676 Ca 0.67 1.44 -0.06 0.00 -1.06 0.00 0.00 56.10 57.09 3fby s TRP 676 Cb -0.11 -2.88 -0.06 0.00 -1.16 0.00 0.00 33.47 29.26 3fby s TRP 676 CO 0.53 -0.95 0.46 0.15 -4.06 0.00 0.00 176.95 173.09 3fby s LYS 677 N -4.55 3.67 0.48 3.25 1.02 -1.26 -4.71 119.74 117.64 3fby s LYS 677 Ca 0.60 0.02 -0.22 0.00 0.02 0.00 0.00 55.97 56.39 3fby s LYS 677 Cb -0.13 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.33 3fby s LYS 677 CO 0.44 0.37 0.83 -0.25 -0.92 0.00 0.00 175.35 175.82 3fby n ASP 678 N -0.22 0.38 -3.56 2.83 8.00 -1.26 -3.33 116.55 119.39 3fby n ASP 678 Ca -0.02 0.92 -0.18 0.00 0.71 0.00 0.00 54.79 56.22 3fby n ASP 678 Cb 0.52 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.29 3fby n ASP 678 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fby n LYS 679 N -0.02 -0.92 -4.78 -1.24 5.02 -0.29 -4.94 118.16 111.00 3fby n LYS 679 Ca 0.11 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 3fby n LYS 679 Cb 0.42 -1.84 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 3fby n LYS 679 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fby s LYS 680 N -5.54 1.36 -0.11 1.97 2.47 -1.21 -4.97 119.74 113.70 3fby s LYS 680 Ca 0.03 -0.63 -0.13 0.00 -1.56 0.00 0.00 55.97 53.69 3fby s LYS 680 Cb -0.02 -1.32 -0.05 0.00 -1.46 0.00 0.00 37.83 34.98 3fby s LYS 680 CO 0.55 0.36 0.29 -1.12 0.16 0.00 0.00 175.35 175.59 3fby s SER 681 N -0.46 6.53 -0.00 1.43 0.01 -1.26 -4.26 113.70 115.69 3fby s SER 681 Ca 0.06 0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.99 3fby s SER 681 Cb -0.07 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 3fby s SER 681 CO -0.00 0.22 -0.15 -0.31 0.41 0.00 0.00 173.24 173.41 3fby s TYR 682 N -0.23 2.67 -0.16 2.43 1.51 0.22 -4.04 117.35 119.74 3fby s TYR 682 Ca 0.18 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.01 3fby s TYR 682 Cb -0.14 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3fby s TYR 682 CO 0.06 0.24 0.00 0.50 -1.11 0.00 0.00 175.55 175.25 3fby s ARG 683 N -1.15 3.76 -0.03 -0.62 3.52 0.38 -0.93 118.95 123.88 3fby s ARG 683 Ca 0.14 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3fby s ARG 683 Cb -0.11 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3fby s ARG 683 CO 0.04 0.28 0.01 1.67 -0.81 0.00 0.00 175.30 176.50 3fby s TRP 684 N 0.28 3.14 -0.08 5.12 -2.14 0.11 0.40 118.94 125.77 3fby s TRP 684 Ca -0.00 0.14 -0.00 0.00 2.66 0.00 0.00 56.10 58.89 3fby s TRP 684 Cb -0.13 -1.72 0.02 0.00 -3.10 0.00 0.00 33.47 28.54 3fby s TRP 684 CO 0.02 0.48 -0.04 0.12 -2.66 0.00 0.00 176.95 174.87 3fby s PHE 685 N -1.03 1.01 0.03 1.66 5.36 -0.34 -2.17 117.98 122.50 3fby s PHE 685 Ca 0.18 -0.39 0.08 0.00 -0.96 0.00 0.00 56.93 55.83 3fby s PHE 685 Cb -0.12 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 41.59 3fby s PHE 685 CO 0.08 -0.37 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.09 3fby s LEU 686 N 1.62 2.42 -0.07 6.12 2.96 0.18 -1.78 118.68 130.13 3fby s LEU 686 Ca 0.01 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3fby s LEU 686 Cb -0.13 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.16 3fby s LEU 686 CO -0.05 0.27 -0.05 -1.10 -1.32 0.00 0.00 176.35 174.11 3fby s GLN 687 N -1.23 1.03 -0.11 1.98 -0.21 0.57 -1.81 119.66 119.87 3fby s GLN 687 Ca 0.13 -0.11 -0.00 0.00 0.02 0.00 0.00 55.36 55.40 3fby s GLN 687 Cb -0.10 -1.12 0.02 0.00 1.00 0.00 0.00 33.01 32.81 3fby s GLN 687 CO 0.03 -0.18 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.35 3fby s HIS 688 N 1.38 1.58 -0.56 0.91 2.46 -0.26 -1.11 115.29 119.69 3fby s HIS 688 Ca -0.03 -0.79 0.04 0.00 0.47 0.00 0.00 55.06 54.76 3fby s HIS 688 Cb -0.13 -1.27 0.16 0.00 -0.13 0.00 0.00 32.58 31.21 3fby s HIS 688 CO -0.03 -0.51 0.39 1.03 -2.47 0.00 0.00 174.74 173.16 3fby s ARG 689 N 1.55 1.74 0.62 2.88 1.81 0.29 -0.10 118.95 127.75 3fby s ARG 689 Ca 0.03 -2.70 0.33 0.00 -1.72 0.00 0.00 55.73 51.67 3fby s ARG 689 Cb -0.13 -2.58 1.90 0.00 -0.45 0.00 0.00 34.95 33.68 3fby s ARG 689 CO -0.07 -1.29 2.18 -1.00 -0.68 0.00 0.00 175.30 174.44 3fby h PRO 690 N 5.73 0.00 -0.15 3.54 0.13 -1.79 0.11 132.00 139.56 3fby h PRO 690 Ca 0.15 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.32 3fby h PRO 690 Cb 0.84 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 3fby h PRO 690 CO 0.56 0.00 -0.11 -0.56 -0.23 0.00 0.00 178.00 177.67 3fby h GLN 691 N 0.00 -0.11 0.00 0.86 -0.00 -1.94 -1.96 115.11 111.97 3fby h GLN 691 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3fby h GLN 691 Cb 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.79 3fby h GLN 691 CO -0.00 -0.07 -0.98 1.55 -0.00 0.00 0.00 178.83 179.33 3fby n VAL 692 N -5.26 0.52 -2.37 1.86 3.14 -1.09 -4.98 118.33 110.15 3fby n VAL 692 Ca -0.03 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3fby n VAL 692 Cb 0.18 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 3fby n VAL 692 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fby n GLY 693 N 1.23 0.85 3.74 7.55 0.00 0.23 -4.86 105.19 113.93 3fby n GLY 693 Ca 0.01 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3fby n GLY 693 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fby s TYR 694 N -2.99 3.57 -0.06 1.61 5.04 -0.28 -1.85 117.35 122.39 3fby s TYR 694 Ca 0.00 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 55.57 3fby s TYR 694 Cb 0.00 -2.53 0.03 0.00 0.35 0.00 0.00 41.96 39.81 3fby s TYR 694 CO 0.00 0.26 -0.00 0.42 -1.34 0.00 0.00 175.55 174.88 3fby s ILE 695 N 0.28 0.34 -0.06 3.14 1.01 -0.36 -0.55 121.20 125.00 3fby s ILE 695 Ca 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.98 3fby s ILE 695 Cb -0.16 -0.47 0.04 0.00 0.01 0.00 0.00 42.46 41.88 3fby s ILE 695 CO 0.12 0.23 0.11 -0.60 0.00 0.00 0.00 174.94 174.79 3fby s ARG 696 N 1.61 -0.01 0.04 2.79 3.00 -0.27 -0.48 118.95 125.63 3fby s ARG 696 Ca -0.01 0.44 0.07 0.00 -1.00 0.00 0.00 55.73 55.23 3fby s ARG 696 Cb -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 34.95 34.44 3fby s ARG 696 CO -0.03 -0.29 -0.20 0.54 0.00 0.00 0.00 175.30 175.32 3fby s VAL 697 N 2.02 1.62 -0.00 7.11 0.11 -1.26 -0.32 120.40 129.68 3fby s VAL 697 Ca 0.01 -1.18 -0.26 0.00 -2.93 0.00 0.00 61.98 57.62 3fby s VAL 697 Cb -0.12 -1.41 0.06 0.00 -1.53 0.00 0.00 36.38 33.38 3fby s VAL 697 CO -0.04 0.19 0.59 0.00 -3.33 0.00 0.00 175.10 172.51 3fby s ARG 698 N -1.17 1.04 -0.04 1.54 1.70 -0.73 -1.06 118.95 120.23 3fby s ARG 698 Ca 0.07 0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.37 3fby s ARG 698 Cb -0.09 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3fby s ARG 698 CO 0.02 -0.35 -0.10 -0.06 -1.08 0.00 0.00 175.30 173.73 3fby s PHE 699 N -1.78 1.11 -0.10 5.89 0.08 -0.14 -1.20 117.98 121.85 3fby s PHE 699 Ca -0.09 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3fby s PHE 699 Cb -0.01 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 3fby s PHE 699 CO 0.04 -0.14 -0.11 0.71 -0.10 0.00 0.00 175.22 175.61 3fby s TYR 700 N 0.30 2.82 -0.28 0.36 1.51 0.16 0.49 117.35 122.72 3fby s TYR 700 Ca -0.06 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 3fby s TYR 700 Cb -0.11 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 3fby s TYR 700 CO 0.01 0.01 0.05 -2.00 -1.11 0.00 0.00 175.55 172.51 3fby s GLU 701 N -0.15 3.09 5.22 -0.62 2.12 0.33 0.14 118.70 128.84 3fby s GLU 701 Ca -0.00 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.48 3fby s GLU 701 Cb -0.13 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3fby s GLU 701 CO 0.03 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 3fby n GLY 702 N 4.83 3.24 1.19 -1.50 0.00 -1.26 -1.53 105.19 110.15 3fby n GLY 702 Ca -0.15 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3fby n GLY 702 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fby n PRO 703 N 14.00 2.78 -3.68 1.61 -0.04 -1.26 -4.28 135.00 144.12 3fby n PRO 703 Ca 0.00 -2.53 -0.35 0.00 -0.04 0.00 0.00 63.50 60.58 3fby n PRO 703 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 3fby n PRO 703 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3fby s GLU 704 N -1.01 4.21 0.16 0.54 2.12 -0.58 -4.94 118.70 119.20 3fby s GLU 704 Ca 0.43 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 55.31 3fby s GLU 704 Cb 0.22 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 3fby s GLU 704 CO 0.29 0.28 1.43 -1.17 -0.54 0.00 0.00 175.26 175.56 3fby s LEU 705 N 0.39 4.38 0.00 2.70 1.98 -1.26 -0.51 118.68 126.36 3fby s LEU 705 Ca 0.10 2.47 0.00 0.00 -2.89 0.00 0.00 54.13 53.81 3fby s LEU 705 Cb -0.11 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.14 3fby s LEU 705 CO -0.01 -0.68 0.00 1.33 -1.89 0.00 0.00 176.35 175.10 3fby n VAL 706 N 3.45 0.00 -3.66 1.68 0.24 0.18 -4.89 118.33 115.33 3fby n VAL 706 Ca 0.10 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.17 3fby n VAL 706 Cb 0.41 0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 3fby n VAL 706 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fby s ALA 707 N -1.24 -1.33 -0.26 2.33 0.00 -1.17 -4.99 121.76 115.10 3fby s ALA 707 Ca 0.00 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 3fby s ALA 707 Cb 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 23.12 22.83 3fby s ALA 707 CO 0.00 -0.29 0.53 0.34 0.00 0.00 0.00 175.76 176.34 3fby s ASP 708 N -0.51 -0.72 0.60 0.00 -1.08 -1.26 -0.96 116.67 112.73 3fby s ASP 708 Ca -0.06 1.12 0.37 0.00 -0.52 0.00 0.00 52.55 53.46 3fby s ASP 708 Cb -0.03 1.83 1.85 0.00 -1.46 0.00 0.00 42.92 45.10 3fby s ASP 708 CO 0.04 -0.24 2.17 0.77 0.52 0.00 0.00 175.17 178.43 3fby h SER 709 N 8.08 0.00 -2.28 -0.34 4.64 -1.50 -3.49 113.55 118.66 3fby h SER 709 Ca -0.18 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.37 3fby h SER 709 Cb 1.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 3fby h SER 709 CO 0.15 0.02 -0.31 -3.20 -0.87 0.00 0.00 176.83 172.62 3fby n ASN 710 N -3.18 -7.27 -4.64 4.97 2.85 -1.26 -4.62 115.26 102.10 3fby n ASN 710 Ca -0.01 0.93 -0.43 0.00 -0.11 0.00 0.00 54.58 54.96 3fby n ASN 710 Cb 0.19 -2.63 -0.03 0.00 1.24 0.00 0.00 39.78 38.55 3fby n ASN 710 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3fby s VAL 711 N -1.35 3.51 -0.25 3.44 0.11 -1.26 -4.50 120.40 120.10 3fby s VAL 711 Ca 0.00 0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 3fby s VAL 711 Cb 0.00 -3.47 0.02 0.00 -1.53 0.00 0.00 36.38 31.40 3fby s VAL 711 CO 0.00 -0.15 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.88 3fby s VAL 712 N 4.99 2.98 -0.31 2.04 1.01 0.36 -5.00 120.40 126.47 3fby s VAL 712 Ca 0.77 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3fby s VAL 712 Cb -0.31 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3fby s VAL 712 CO 0.31 0.21 0.48 -0.76 0.00 0.00 0.00 175.10 175.34 3fby s LEU 713 N 1.35 4.20 0.05 3.92 2.01 -1.26 -1.23 118.68 127.72 3fby s LEU 713 Ca 0.01 0.19 -0.14 0.00 0.01 0.00 0.00 54.13 54.20 3fby s LEU 713 Cb -0.16 -2.57 0.02 0.00 0.01 0.00 0.00 46.19 43.49 3fby s LEU 713 CO -0.04 -0.36 0.31 -0.62 1.01 0.00 0.00 176.35 176.65 3fby s ASP 714 N 1.67 -0.13 0.00 2.29 -1.08 -0.77 -5.03 116.67 113.61 3fby s ASP 714 Ca 0.18 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 3fby s ASP 714 Cb -0.16 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 3fby s ASP 714 CO 0.11 -0.63 0.55 1.07 0.52 0.00 0.00 175.17 176.80 3fby n THR 715 N 0.54 0.14 -0.11 1.71 5.66 -1.26 -4.50 114.28 116.45 3fby n THR 715 Ca -0.18 -0.14 0.11 0.00 -3.05 0.00 0.00 64.05 60.78 3fby n THR 715 Cb 0.60 0.97 0.46 0.00 -1.55 0.00 0.00 70.33 70.81 3fby n THR 715 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3fby h THR 716 N 2.49 0.92 -3.25 1.09 2.02 -1.98 -3.35 112.91 110.85 3fby h THR 716 Ca 0.00 -0.17 -0.47 0.00 0.77 0.00 0.00 66.41 66.54 3fby h THR 716 Cb 0.91 0.38 -0.39 0.00 -1.74 0.00 0.00 68.15 67.31 3fby h THR 716 CO 0.00 0.09 -0.77 0.00 0.37 0.00 0.00 175.52 175.21 3fby s MET 717 N -5.47 0.64 -1.22 6.66 0.00 -1.26 -5.00 119.30 113.65 3fby s MET 717 Ca -0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 55.69 55.38 3fby s MET 717 Cb 0.20 -1.45 0.18 0.00 0.00 0.00 0.00 34.83 33.76 3fby s MET 717 CO 0.76 -0.44 1.55 0.54 0.00 0.00 0.00 175.02 177.43 3fby n ARG 718 N 5.11 3.50 0.00 3.16 1.74 0.52 -4.90 116.66 125.79 3fby n ARG 718 Ca -0.08 -3.82 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 3fby n ARG 718 Cb 0.49 -2.95 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 3fby n ARG 718 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fby n GLY 719 N 3.50 1.85 0.00 -0.13 0.00 -1.26 -4.06 105.19 105.08 3fby n GLY 719 Ca 0.36 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3fby n GLY 719 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fby n GLY 720 N 0.24 0.92 3.98 -0.02 0.00 -0.92 -4.47 105.19 104.93 3fby n GLY 720 Ca 0.00 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 3fby n GLY 720 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fby s ARG 721 N -1.81 2.81 0.11 1.61 0.52 0.45 -1.88 118.95 120.76 3fby s ARG 721 Ca 0.00 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3fby s ARG 721 Cb 0.00 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 3fby s ARG 721 CO 0.00 -0.38 0.01 -0.51 0.02 0.00 0.00 175.30 174.44 3fby s LEU 722 N -4.50 3.46 0.00 2.53 1.43 -1.26 -1.78 118.68 118.56 3fby s LEU 722 Ca 0.53 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3fby s LEU 722 Cb -0.10 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3fby s LEU 722 CO 0.35 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.69 3fby n GLY 723 N 0.35 0.91 3.38 -3.19 0.00 0.20 -0.64 105.19 106.19 3fby n GLY 723 Ca -0.10 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 3fby n GLY 723 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fby s VAL 724 N -2.30 2.01 0.00 1.61 -7.23 -0.25 0.11 120.40 114.36 3fby s VAL 724 Ca 0.00 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 3fby s VAL 724 Cb 0.00 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 3fby s VAL 724 CO 0.00 -0.40 -0.07 0.12 -0.31 0.00 0.00 175.10 174.44 3fby s PHE 725 N -2.41 0.60 0.20 2.82 5.36 -0.31 -2.22 117.98 122.02 3fby s PHE 725 Ca 0.22 -0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 55.96 3fby s PHE 725 Cb -0.04 -0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 42.24 3fby s PHE 725 CO 0.09 -0.02 0.27 0.00 -1.46 0.00 0.00 175.22 174.11 3fby s PHE 727 N -4.05 -1.64 -0.43 0.00 5.99 -0.93 -1.82 117.98 115.10 3fby s PHE 727 Ca 0.26 1.05 0.00 0.00 0.00 0.00 0.00 56.93 58.24 3fby s PHE 727 Cb 0.04 0.27 0.00 0.00 0.00 0.00 0.00 43.02 43.32 3fby s PHE 727 CO 0.07 -1.02 0.00 0.45 -0.00 0.00 0.00 175.22 174.71 3fby n SER 728 N 5.41 -3.69 -4.32 6.13 2.88 -1.14 -2.21 113.62 116.68 3fby n SER 728 Ca 0.03 0.10 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 3fby n SER 728 Cb 0.53 -1.54 -0.16 0.00 -0.75 0.00 0.00 64.21 62.28 3fby n SER 728 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3fby s GLN 729 N -1.95 2.14 0.05 -1.46 2.00 -1.26 -4.64 119.66 114.54 3fby s GLN 729 Ca 0.00 -0.92 0.06 0.00 -2.00 0.00 0.00 55.36 52.51 3fby s GLN 729 Cb 0.00 -2.06 -0.03 0.00 0.80 0.00 0.00 33.01 31.71 3fby s GLN 729 CO 0.00 0.56 -0.14 -1.83 -0.50 0.00 0.00 175.29 173.38 3fby s GLU 730 N -0.61 2.18 -0.84 1.67 -1.05 -1.24 -4.49 118.70 114.33 3fby s GLU 730 Ca 0.10 -0.94 -0.04 0.00 -0.15 0.00 0.00 54.97 53.94 3fby s GLU 730 Cb -0.10 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 3fby s GLU 730 CO -0.01 0.54 0.49 0.09 0.95 0.00 0.00 175.26 177.32 3fby n ASN 731 N 1.34 -4.30 -4.69 0.83 5.03 -0.53 -4.77 115.26 108.17 3fby n ASN 731 Ca -0.15 -0.22 -0.42 0.00 0.87 0.00 0.00 54.58 54.65 3fby n ASN 731 Cb 0.52 -3.05 -0.03 0.00 -1.02 0.00 0.00 39.78 36.21 3fby n ASN 731 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3fby s ILE 732 N -3.02 4.59 -0.25 2.41 1.01 -0.88 -1.60 121.20 123.46 3fby s ILE 732 Ca 0.24 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 62.66 3fby s ILE 732 Cb -0.11 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3fby s ILE 732 CO 0.30 0.01 0.17 -0.63 0.00 0.00 0.00 174.94 174.79 3fby s ILE 733 N 1.99 5.31 -0.47 2.92 1.01 0.63 -1.62 121.20 130.98 3fby s ILE 733 Ca 0.51 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.21 3fby s ILE 733 Cb -0.21 -3.50 0.10 0.00 0.01 0.00 0.00 42.46 38.86 3fby s ILE 733 CO 0.20 0.31 0.36 0.26 0.00 0.00 0.00 174.94 176.07 3fby s TRP 734 N 1.33 3.33 0.19 3.97 0.51 0.30 -1.52 118.94 127.05 3fby s TRP 734 Ca 0.07 -1.48 0.05 0.00 -2.12 0.00 0.00 56.10 52.63 3fby s TRP 734 Cb -0.14 -3.34 -0.04 0.00 -0.81 0.00 0.00 33.47 29.13 3fby s TRP 734 CO 0.07 -0.92 0.15 0.00 -0.51 0.00 0.00 176.95 175.74 3fby s ALA 735 N 1.48 3.58 -1.25 0.98 0.00 0.16 -1.12 121.76 125.59 3fby s ALA 735 Ca 0.04 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 3fby s ALA 735 Cb -0.26 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 3fby s ALA 735 CO 0.02 0.44 0.70 -1.71 0.00 0.00 0.00 175.76 175.21 3fby n ASN 736 N -0.56 -2.72 -4.77 0.00 5.15 -0.81 -0.67 115.26 110.88 3fby n ASN 736 Ca -0.08 -0.90 -0.38 0.00 -0.60 0.00 0.00 54.58 52.62 3fby n ASN 736 Cb 0.55 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 3fby n ASN 736 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fby s LEU 737 N -6.54 4.28 -0.06 1.20 1.02 0.12 -4.47 118.68 114.22 3fby s LEU 737 Ca 0.18 2.19 -0.03 0.00 0.02 0.00 0.00 54.13 56.50 3fby s LEU 737 Cb -0.05 -3.98 0.04 0.00 0.02 0.00 0.00 46.19 42.22 3fby s LEU 737 CO 0.83 -0.44 0.13 -0.13 0.02 0.00 0.00 176.35 176.77 3fby s ARG 738 N -2.13 0.07 0.14 1.70 0.52 0.15 -4.89 118.95 114.51 3fby s ARG 738 Ca 0.54 0.36 0.07 0.00 -0.52 0.00 0.00 55.73 56.18 3fby s ARG 738 Cb -0.27 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 3fby s ARG 738 CO 0.34 -0.17 -0.16 1.52 0.02 0.00 0.00 175.30 176.85 3fby s TYR 739 N 1.22 1.58 -0.15 -0.53 -0.85 -1.26 -0.78 117.35 116.58 3fby s TYR 739 Ca -0.09 -0.52 -0.16 0.00 -0.52 0.00 0.00 57.07 55.79 3fby s TYR 739 Cb -0.12 -0.81 0.04 0.00 0.38 0.00 0.00 41.96 41.45 3fby s TYR 739 CO -0.06 0.22 0.44 0.50 -1.52 0.00 0.00 175.55 175.13 3fby s ARG 740 N -2.73 0.55 -0.04 -3.49 3.52 -0.45 -4.68 118.95 111.64 3fby s ARG 740 Ca 0.12 0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 3fby s ARG 740 Cb -0.05 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.55 3fby s ARG 740 CO 0.04 -0.08 1.56 0.00 -0.81 0.00 0.00 175.30 176.01 3fby s ASN 742 N 2.79 1.24 0.08 0.00 3.84 -0.85 -4.86 114.94 117.18 3fby s ASN 742 Ca 0.70 -0.44 0.20 0.00 0.21 0.00 0.00 52.86 53.53 3fby s ASN 742 Cb -0.32 0.65 -0.13 0.00 -0.55 0.00 0.00 41.25 40.89 3fby s ASN 742 CO 0.28 -0.36 0.79 0.47 -2.79 0.00 0.00 177.10 175.49 3fby n ASP 743 N 5.33 0.66 -4.63 -4.21 8.00 -1.26 -2.98 116.55 117.45 3fby n ASP 743 Ca -0.03 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 3fby n ASP 743 Cb 0.48 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 42.16 3fby n ASP 743 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fby s THR 744 N -3.14 3.67 0.30 -3.53 -4.23 -1.26 -4.92 115.64 102.53 3fby s THR 744 Ca -0.03 0.77 -0.29 0.00 -1.18 0.00 0.00 61.69 60.95 3fby s THR 744 Cb 0.10 -3.66 -0.10 0.00 1.34 0.00 0.00 72.50 70.17 3fby s THR 744 CO 0.82 -0.26 1.41 -0.63 -0.54 0.00 0.00 174.62 175.42 3fby s ILE 745 N 5.10 2.57 0.64 2.99 -1.09 -1.26 -4.97 121.20 125.17 3fby s ILE 745 Ca 0.72 0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 59.55 3fby s ILE 745 Cb -0.26 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3fby s ILE 745 CO 0.29 0.10 1.04 -2.84 -1.23 0.00 0.00 174.94 172.30 3fby s PRO 746 N -1.11 3.41 0.15 2.79 0.02 -1.26 -4.94 135.00 134.06 3fby s PRO 746 Ca 0.55 0.82 -0.27 0.00 0.02 0.00 0.00 61.00 62.12 3fby s PRO 746 Cb -0.42 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.04 3fby s PRO 746 CO 0.50 -0.72 1.57 1.49 -0.33 0.00 0.00 177.00 179.51 3fby h GLU 747 N -0.40 -0.33 0.00 5.54 4.81 -2.04 -2.59 114.58 119.56 3fby h GLU 747 Ca -0.44 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3fby h GLU 747 Cb 1.20 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3fby h GLU 747 CO 0.60 -0.22 0.00 -0.40 -0.73 0.00 0.00 179.01 178.26 3fby n ASP 748 N -5.42 0.00 -0.07 1.04 5.75 -1.26 -2.22 116.55 114.37 3fby n ASP 748 Ca -0.01 -0.91 -0.13 0.00 -0.01 0.00 0.00 54.79 53.73 3fby n ASP 748 Cb 0.35 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 3fby n ASP 748 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3fby h TYR 749 N 0.00 0.59 -0.45 2.11 -0.00 -1.84 -2.71 116.97 114.67 3fby h TYR 749 Ca 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.73 58.51 3fby h TYR 749 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 36.58 3fby h TYR 749 CO 0.00 0.82 0.07 0.93 -0.00 0.00 0.00 178.16 179.98 3fby h GLU 750 N 0.19 0.75 -0.89 1.82 4.39 -1.64 -2.23 114.58 116.96 3fby h GLU 750 Ca 0.04 -0.20 0.22 0.00 0.34 0.00 0.00 59.36 59.76 3fby h GLU 750 Cb 0.70 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 3fby h GLU 750 CO 0.04 0.77 0.61 1.15 -1.16 0.00 0.00 179.01 180.42 3fby h THR 751 N 0.61 0.63 -0.21 1.13 2.02 -1.67 0.57 112.91 116.00 3fby h THR 751 Ca 0.14 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 3fby h THR 751 Cb 0.39 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3fby h THR 751 CO 0.01 0.05 -0.49 -0.74 0.37 0.00 0.00 175.52 174.71 3fby h HIS 752 N 0.27 0.70 0.18 3.16 -0.00 -1.07 -2.95 115.15 115.44 3fby h HIS 752 Ca 0.46 -0.23 -0.33 0.00 -0.00 0.00 0.00 60.37 60.27 3fby h HIS 752 Cb 1.34 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.62 3fby h HIS 752 CO -0.00 0.95 -1.57 1.96 -0.00 0.00 0.00 177.93 179.27 3fby h GLN 753 N 0.45 0.39 0.00 5.26 1.08 -0.64 -3.17 115.11 118.48 3fby h GLN 753 Ca 0.02 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 3fby h GLN 753 Cb 1.03 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3fby h GLN 753 CO 0.09 1.29 0.00 -0.11 -0.95 0.00 0.00 178.83 179.15 3fby n LEU 754 N -3.58 0.00 -1.53 1.46 0.00 0.18 -3.31 117.00 110.22 3fby n LEU 754 Ca -0.19 0.36 0.10 0.00 0.00 0.00 0.00 56.01 56.28 3fby n LEU 754 Cb 1.07 -0.36 0.35 0.00 0.00 0.00 0.00 43.42 44.47 3fby n LEU 754 CO 0.54 -0.24 0.80 -1.14 0.00 0.00 0.00 177.39 177.36 3fby n ARG 755 N -1.36 3.48 0.17 1.96 0.63 -1.11 -4.07 116.66 116.35 3fby n ARG 755 Ca 0.04 -2.76 0.05 0.00 -0.92 0.00 0.00 57.85 54.26 3fby n ARG 755 Cb 0.10 -1.82 0.20 0.00 0.45 0.00 0.00 32.46 31.38 3fby n ARG 755 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3fby h GLN 756 N 4.07 0.00 0.00 -0.14 1.08 -1.73 -3.50 115.11 114.89 3fby h GLN 756 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3fby h GLN 756 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3fby h GLN 756 CO 0.19 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.47