#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mor s ASP 244 N 0.00 0.08 0.01 1.61 2.15 -1.26 -5.08 116.67 114.18 1mor s ASP 244 Ca 0.00 -0.24 0.03 0.00 0.43 0.00 0.00 52.55 52.78 1mor s ASP 244 Cb 0.00 0.15 -0.25 0.00 -0.30 0.00 0.00 42.92 42.53 1mor s ASP 244 CO 0.00 -0.26 0.86 0.11 -0.17 0.00 0.00 175.17 175.70 1mor h LYS 245 N 4.83 0.13 0.00 4.34 1.57 -1.95 -3.50 116.57 121.99 1mor h LYS 245 Ca -0.30 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1mor h LYS 245 Cb 1.20 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1mor h LYS 245 CO 0.42 0.92 0.00 0.41 -0.57 0.00 0.00 179.45 180.63 1mor n GLY 246 N 1.59 2.69 0.01 3.86 0.00 -1.26 -2.51 105.19 109.57 1mor n GLY 246 Ca -0.14 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1mor n GLY 246 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mor n ILE 247 N 0.00 0.06 -2.57 -0.61 -5.35 -1.26 -4.93 119.36 104.70 1mor n ILE 247 Ca 0.00 -0.05 -0.34 0.00 -0.27 0.00 0.00 62.75 62.09 1mor n ILE 247 Cb 0.00 0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 37.96 1mor n ILE 247 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1mor s TYR 248 N -3.03 3.03 0.11 4.28 2.02 -1.05 -4.99 117.35 117.73 1mor s TYR 248 Ca 0.11 1.58 -0.03 0.00 -0.37 0.00 0.00 57.07 58.36 1mor s TYR 248 Cb 0.17 -3.05 -0.16 0.00 -0.40 0.00 0.00 41.96 38.52 1mor s TYR 248 CO 0.68 -0.76 1.25 -0.09 -1.57 0.00 0.00 175.55 175.06 1mor h ARG 249 N 1.62 0.30 -4.44 -0.62 2.43 -1.91 -3.46 114.38 108.30 1mor h ARG 249 Ca -0.49 -0.40 -0.21 0.00 -0.81 0.00 0.00 59.98 58.06 1mor h ARG 249 Cb 1.22 0.13 -0.18 0.00 -0.42 0.00 0.00 29.97 30.72 1mor h ARG 249 CO 0.59 1.12 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.46 1mor s HIS 250 N -2.99 0.64 0.26 2.20 3.76 -1.26 -5.02 115.29 112.88 1mor s HIS 250 Ca -0.04 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1mor s HIS 250 Cb 0.08 -0.40 0.33 0.00 1.11 0.00 0.00 32.58 33.70 1mor s HIS 250 CO 0.87 -0.17 1.87 1.88 -0.85 0.00 0.00 174.74 178.34 1mor h TYR 251 N 3.83 1.08 -0.60 1.40 0.05 -1.95 -0.98 116.97 119.80 1mor h TYR 251 Ca -0.35 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.36 1mor h TYR 251 Cb 1.18 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 1mor h TYR 251 CO 0.61 0.77 0.23 1.98 -1.05 0.00 0.00 178.16 180.70 1mor h MET 252 N 1.09 0.87 -0.29 4.88 4.05 -1.94 0.35 114.93 123.94 1mor h MET 252 Ca 0.27 -0.14 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1mor h MET 252 Cb 0.07 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1mor h MET 252 CO -0.04 0.72 0.01 0.37 0.23 0.00 0.00 176.91 178.20 1mor h GLN 253 N 0.86 0.51 -0.60 0.39 4.15 -1.76 -1.12 115.11 117.54 1mor h GLN 253 Ca 0.20 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.52 1mor h GLN 253 Cb 0.18 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1mor h GLN 253 CO -0.02 0.65 0.32 -0.22 -1.93 0.00 0.00 178.83 177.63 1mor h LYS 254 N 0.31 0.58 -0.07 1.69 3.64 -0.64 -1.80 116.57 120.29 1mor h LYS 254 Ca 0.08 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1mor h LYS 254 Cb 0.41 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1mor h LYS 254 CO 0.01 0.38 -0.34 0.93 -2.27 0.00 0.00 179.45 178.17 1mor h GLU 255 N 0.60 0.14 -0.13 1.90 5.08 -0.10 -1.27 114.58 120.80 1mor h GLU 255 Ca 0.27 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1mor h GLU 255 Cb 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mor h GLU 255 CO -0.18 0.47 -0.08 0.82 -1.00 0.00 0.00 179.01 179.04 1mor h ILE 256 N 0.12 1.33 0.00 3.13 2.04 -0.65 -3.16 117.51 120.32 1mor h ILE 256 Ca 0.01 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1mor h ILE 256 Cb 0.67 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1mor h ILE 256 CO 0.05 0.33 -0.11 1.88 0.00 0.00 0.00 178.15 180.30 1mor h TYR 257 N -0.09 0.00 -0.00 1.37 0.05 -1.10 -2.36 116.97 114.84 1mor h TYR 257 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1mor h TYR 257 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1mor h TYR 257 CO 0.07 0.11 -0.00 0.39 -1.05 0.00 0.00 178.16 177.69 1mor n GLU 258 N -3.55 0.37 -0.24 4.88 1.02 -0.50 -4.32 120.64 118.30 1mor n GLU 258 Ca -0.02 -0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1mor n GLU 258 Cb 0.25 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1mor n GLU 258 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1mor h GLN 259 N 0.00 0.52 -0.27 3.49 4.20 -1.45 0.49 115.11 122.09 1mor h GLN 259 Ca 0.00 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1mor h GLN 259 Cb 0.31 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1mor h GLN 259 CO 0.00 0.35 -0.04 -1.35 -0.67 0.00 0.00 178.83 177.12 1mor h PRO 260 N 0.54 0.03 -0.51 1.46 0.11 -1.83 0.17 132.00 131.97 1mor h PRO 260 Ca 0.35 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 1mor h PRO 260 Cb 0.40 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1mor h PRO 260 CO -0.29 0.02 -0.12 -0.91 -0.21 0.00 0.00 178.00 176.49 1mor h ASN 261 N 0.03 1.00 -0.60 -2.05 2.35 -1.80 -0.69 115.58 113.82 1mor h ASN 261 Ca 0.13 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 1mor h ASN 261 Cb 0.18 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1mor h ASN 261 CO -0.25 1.13 0.01 0.00 -1.65 0.00 0.00 177.43 176.67 1mor h ALA 262 N 0.90 0.80 -0.39 -0.83 0.00 -0.45 -1.82 119.26 117.48 1mor h ALA 262 Ca 0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1mor h ALA 262 Cb 0.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1mor h ALA 262 CO 0.05 0.63 -0.10 0.82 0.00 0.00 0.00 179.25 180.65 1mor h ILE 263 N 0.94 1.25 -0.33 0.00 2.04 -0.80 -2.13 117.51 118.48 1mor h ILE 263 Ca 0.17 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1mor h ILE 263 Cb 0.54 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1mor h ILE 263 CO 0.03 0.37 0.19 0.11 0.00 0.00 0.00 178.15 178.85 1mor h LYS 264 N 0.63 0.46 0.00 2.37 1.57 -0.79 -2.02 116.57 118.78 1mor h LYS 264 Ca 0.11 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1mor h LYS 264 Cb 0.54 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1mor h LYS 264 CO 0.03 0.37 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.21 1mor h ASN 265 N 0.42 0.00 1.59 0.86 2.35 -1.00 -1.99 115.58 117.82 1mor h ASN 265 Ca 0.12 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1mor h ASN 265 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1mor h ASN 265 CO -0.02 0.16 -0.38 0.74 -1.65 0.00 0.00 177.43 176.28 1mor h THR 266 N 0.00 0.66 0.00 2.81 2.02 -0.98 -3.24 112.91 114.19 1mor h THR 266 Ca -0.00 -1.91 -0.10 0.00 0.77 0.00 0.00 66.41 65.16 1mor h THR 266 Cb 0.31 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1mor h THR 266 CO 0.02 0.37 -0.86 -0.07 0.37 0.00 0.00 175.52 175.35 1mor h LEU 267 N 0.00 0.00 -9.11 2.58 3.38 -0.73 -3.44 115.31 107.98 1mor h LEU 267 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1mor h LEU 267 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1mor h LEU 267 CO 0.05 0.40 1.34 0.42 0.09 0.00 0.00 178.44 180.74 1mor s THR 268 N -3.03 3.14 0.00 0.22 -4.23 -0.81 -1.33 115.64 109.61 1mor s THR 268 Ca 0.01 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1mor s THR 268 Cb 0.08 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1mor s THR 268 CO 0.77 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1mor n GLY 269 N 5.17 0.70 0.41 3.99 0.00 -1.26 -4.86 105.19 109.34 1mor n GLY 269 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1mor n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mor n ARG 270 N -2.00 1.06 -4.02 1.61 1.74 -0.44 -4.74 116.66 109.87 1mor n ARG 270 Ca 0.00 -1.04 -0.33 0.00 -0.77 0.00 0.00 57.85 55.70 1mor n ARG 270 Cb 0.00 -1.20 -0.15 0.00 -1.02 0.00 0.00 32.46 30.10 1mor n ARG 270 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1mor s ILE 271 N -1.14 2.49 -0.24 0.55 -1.09 -1.21 0.26 121.20 120.83 1mor s ILE 271 Ca 0.13 -1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 57.29 1mor s ILE 271 Cb 0.10 -2.29 0.08 0.00 -1.58 0.00 0.00 42.46 38.77 1mor s ILE 271 CO 0.19 0.18 0.10 -0.44 -1.23 0.00 0.00 174.94 173.74 1mor s SER 272 N 1.24 3.15 -0.41 3.58 0.01 -0.06 -4.90 113.70 116.32 1mor s SER 272 Ca -0.02 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.17 1mor s SER 272 Cb -0.17 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1mor s SER 272 CO -0.06 -0.39 0.17 1.57 0.41 0.00 0.00 173.24 174.94 1mor n HIS 273 N 5.18 -0.54 -1.04 2.43 -0.00 -1.26 -3.44 115.22 116.56 1mor n HIS 273 Ca -0.06 0.15 -0.01 0.00 -0.00 0.00 0.00 57.72 57.79 1mor n HIS 273 Cb 0.45 -1.94 -0.01 0.00 -0.00 0.00 0.00 29.99 28.49 1mor n HIS 273 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mor n GLY 274 N -0.95 0.51 3.06 1.57 0.00 -1.26 -5.02 105.19 103.10 1mor n GLY 274 Ca -0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1mor n GLY 274 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mor s GLN 275 N -1.68 0.50 0.12 1.61 -0.21 -1.22 -4.59 119.66 114.20 1mor s GLN 275 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 1mor s GLN 275 Cb 0.00 0.18 -0.06 0.00 1.00 0.00 0.00 33.01 34.13 1mor s GLN 275 CO 0.00 -0.10 1.00 0.08 -2.12 0.00 0.00 175.29 174.15 1mor s VAL 276 N -2.77 4.36 -0.46 1.09 1.01 -1.26 -0.88 120.40 121.49 1mor s VAL 276 Ca -0.04 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.89 1mor s VAL 276 Cb -0.00 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.24 1mor s VAL 276 CO -0.06 0.31 0.25 -0.62 0.00 0.00 0.00 175.10 174.98 1mor s ASP 277 N -0.01 5.14 -0.51 3.32 2.15 0.75 -4.85 116.67 122.66 1mor s ASP 277 Ca 0.48 -2.31 0.02 0.00 0.43 0.00 0.00 52.55 51.17 1mor s ASP 277 Cb -0.25 -1.80 0.45 0.00 -0.30 0.00 0.00 42.92 41.02 1mor s ASP 277 CO 0.31 -0.46 1.64 0.18 -0.17 0.00 0.00 175.17 176.67 1mor n LEU 278 N 4.19 6.41 -1.27 -1.34 4.77 -1.26 -4.30 117.00 124.20 1mor n LEU 278 Ca 0.01 -4.56 -0.05 0.00 -0.03 0.00 0.00 56.01 51.38 1mor n LEU 278 Cb 0.40 -0.70 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1mor n LEU 278 CO 0.32 1.79 0.67 -1.54 -1.33 0.00 0.00 177.39 177.30 1mor n SER 279 N -0.79 3.14 -0.00 -1.43 3.41 -1.26 -3.03 113.62 113.65 1mor n SER 279 Ca 0.53 -2.36 0.06 0.00 -0.26 0.00 0.00 58.87 56.85 1mor n SER 279 Cb 0.76 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 1mor n SER 279 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1mor n GLU 280 N 0.13 1.37 0.08 4.33 0.28 -1.26 -4.30 120.64 121.27 1mor n GLU 280 Ca 0.13 -0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.18 1mor n GLU 280 Cb 0.76 -1.22 0.45 0.00 1.43 0.00 0.00 31.44 32.85 1mor n GLU 280 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mor n LEU 281 N -1.69 0.50 0.00 -1.84 4.77 -1.17 -4.99 117.00 112.58 1mor n LEU 281 Ca -0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1mor n LEU 281 Cb 0.28 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1mor n LEU 281 CO 0.27 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1mor n GLY 282 N 0.48 1.24 0.08 -0.72 0.00 -1.26 -4.54 105.19 100.47 1mor n GLY 282 Ca 0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 1mor n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mor h PRO 283 N 0.00 0.00 0.00 1.61 0.14 -1.94 -3.23 132.00 128.58 1mor h PRO 283 Ca 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 66.00 66.07 1mor h PRO 283 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1mor h PRO 283 CO 0.00 0.87 -0.41 -0.91 0.14 0.00 0.00 178.00 177.68 1mor h ASN 284 N 0.00 0.00 -0.81 1.44 2.35 -2.02 -3.37 115.58 113.17 1mor h ASN 284 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1mor h ASN 284 Cb 1.65 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.89 1mor h ASN 284 CO 0.11 0.31 -0.32 0.00 -1.65 0.00 0.00 177.43 175.89 1mor n ALA 285 N -2.19 -0.10 0.26 -0.83 0.00 -1.22 0.29 120.51 116.73 1mor n ALA 285 Ca 0.02 0.80 0.09 0.00 0.00 0.00 0.00 53.44 54.36 1mor n ALA 285 Cb 0.66 -0.36 0.69 0.00 0.00 0.00 0.00 19.45 20.44 1mor n ALA 285 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1mor h ASP 286 N 0.00 0.00 -0.18 0.00 5.19 -1.80 -1.84 116.42 117.79 1mor h ASP 286 Ca 0.28 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1mor h ASP 286 Cb 0.48 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1mor h ASP 286 CO -0.80 0.04 0.00 -0.33 -3.12 0.00 0.00 179.24 175.03 1mor h GLU 287 N 0.00 0.32 0.66 3.56 5.08 -0.42 -1.83 114.58 121.95 1mor h GLU 287 Ca -0.00 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1mor h GLU 287 Cb 0.07 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1mor h GLU 287 CO 0.00 0.53 -0.32 1.25 -1.00 0.00 0.00 179.01 179.47 1mor h LEU 288 N 0.07 -0.76 -1.44 1.33 5.85 -1.31 -3.09 115.31 115.96 1mor h LEU 288 Ca 0.05 0.03 0.30 0.00 0.84 0.00 0.00 57.88 59.10 1mor h LEU 288 Cb 0.38 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1mor h LEU 288 CO 0.01 -0.49 0.72 -0.07 -0.34 0.00 0.00 178.44 178.26 1mor h LEU 289 N -0.99 0.36 -1.30 2.25 3.38 -1.42 0.87 115.31 118.47 1mor h LEU 289 Ca -0.09 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1mor h LEU 289 Cb 0.68 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1mor h LEU 289 CO 0.15 0.04 -0.30 0.77 0.09 0.00 0.00 178.44 179.19 1mor h SER 290 N 0.30 0.00 1.41 -0.43 4.64 -1.28 -2.91 113.55 115.28 1mor h SER 290 Ca 0.62 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.84 1mor h SER 290 Cb 1.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.82 1mor h SER 290 CO -0.28 0.30 -0.60 0.11 -0.87 0.00 0.00 176.83 175.49 1mor h LYS 291 N 0.00 0.00 -6.22 4.77 1.57 0.84 -3.47 116.57 114.06 1mor h LYS 291 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 1mor h LYS 291 Cb 0.67 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.01 1mor h LYS 291 CO 0.04 0.43 0.75 0.28 -0.57 0.00 0.00 179.45 180.38 1mor n VAL 292 N -3.16 0.20 0.20 0.50 0.31 -1.09 -4.87 118.33 110.43 1mor n VAL 292 Ca 0.01 -0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.32 1mor n VAL 292 Cb 0.73 -1.15 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 1mor n VAL 292 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mor n GLU 293 N 4.34 4.04 -3.60 5.55 1.02 -0.63 -5.02 120.64 126.34 1mor n GLU 293 Ca 0.23 -0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 1mor n GLU 293 Cb 0.18 -0.81 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 1mor n GLU 293 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1mor s HIS 294 N -1.15 -0.58 -0.04 -0.32 5.04 -1.16 -4.29 115.29 112.78 1mor s HIS 294 Ca 0.03 1.12 0.05 0.00 -1.54 0.00 0.00 55.06 54.72 1mor s HIS 294 Cb 0.03 0.31 -0.01 0.00 0.04 0.00 0.00 32.58 32.96 1mor s HIS 294 CO 0.15 -0.50 -0.20 0.42 -2.34 0.00 0.00 174.74 172.26 1mor s ILE 295 N -0.82 1.67 -0.15 0.89 1.01 -0.53 -0.37 121.20 122.90 1mor s ILE 295 Ca -0.09 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1mor s ILE 295 Cb -0.02 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1mor s ILE 295 CO 0.07 0.47 -0.21 -1.58 0.00 0.00 0.00 174.94 173.69 1mor s GLN 296 N -0.14 2.98 -0.03 2.79 2.00 -0.10 -1.01 119.66 126.14 1mor s GLN 296 Ca -0.01 -0.84 0.03 0.00 -2.00 0.00 0.00 55.36 52.55 1mor s GLN 296 Cb -0.11 -2.44 -0.03 0.00 0.80 0.00 0.00 33.01 31.23 1mor s GLN 296 CO 0.02 -0.05 -0.12 0.42 -0.50 0.00 0.00 175.29 175.06 1mor s ILE 297 N 0.91 3.29 -0.01 -2.34 1.01 0.24 -0.56 121.20 123.74 1mor s ILE 297 Ca -0.05 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1mor s ILE 297 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1mor s ILE 297 CO -0.04 0.51 -0.17 -0.76 0.00 0.00 0.00 174.94 174.47 1mor s LEU 298 N -1.02 2.03 0.03 2.97 1.43 -0.58 -0.50 118.68 123.04 1mor s LEU 298 Ca 0.13 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 1mor s LEU 298 Cb -0.11 -0.90 0.10 0.00 0.03 0.00 0.00 46.19 45.31 1mor s LEU 298 CO 0.03 0.21 1.21 0.00 0.23 0.00 0.00 176.35 178.03 1mor s ALA 299 N -0.39 -2.13 0.21 4.21 0.00 -1.12 -2.46 121.76 120.08 1mor s ALA 299 Ca 0.06 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.39 1mor s ALA 299 Cb -0.07 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1mor s ALA 299 CO -0.01 -1.08 -0.10 0.00 0.00 0.00 0.00 175.76 174.57 1mor n GLY 301 N -0.38 3.26 0.23 0.00 0.00 -1.26 -2.20 105.19 104.83 1mor n GLY 301 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1mor n GLY 301 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1mor h THR 302 N 0.00 1.22 0.00 2.61 2.02 -1.98 -2.24 112.91 114.54 1mor h THR 302 Ca 0.00 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1mor h THR 302 Cb 0.00 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1mor h THR 302 CO 0.00 0.30 -0.08 0.28 0.37 0.00 0.00 175.52 176.39 1mor h SER 303 N 0.21 0.00 0.19 4.18 0.02 -1.78 -0.22 113.55 116.15 1mor h SER 303 Ca 0.04 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1mor h SER 303 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1mor h SER 303 CO 0.03 0.08 -0.67 0.22 -1.14 0.00 0.00 176.83 175.35 1mor h TYR 304 N 0.00 0.58 -0.54 3.45 3.20 -1.38 -2.79 116.97 119.50 1mor h TYR 304 Ca -0.00 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 1mor h TYR 304 Cb 0.19 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1mor h TYR 304 CO 0.00 0.98 0.22 -0.91 -1.64 0.00 0.00 178.16 176.81 1mor h ASN 305 N 0.32 0.74 -0.44 -2.11 2.35 -1.01 -0.17 115.58 115.25 1mor h ASN 305 Ca -0.02 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1mor h ASN 305 Cb 1.23 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1mor h ASN 305 CO 0.12 0.70 0.09 0.77 -1.65 0.00 0.00 177.43 177.46 1mor h SER 306 N 0.73 0.69 -0.87 5.81 4.64 -1.46 -2.44 113.55 120.64 1mor h SER 306 Ca 0.18 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1mor h SER 306 Cb 0.19 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 1mor h SER 306 CO -0.02 0.76 0.57 1.23 -0.87 0.00 0.00 176.83 178.51 1mor h GLY 307 N 0.59 1.25 1.67 -0.77 0.00 -1.27 -1.44 103.07 103.10 1mor h GLY 307 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1mor h GLY 307 CO 0.01 0.35 -0.08 -0.33 0.00 0.00 0.00 176.54 176.48 1mor h MET 308 N 1.07 0.41 0.17 4.80 2.07 -0.62 -1.95 114.93 120.88 1mor h MET 308 Ca 0.35 -0.10 -0.01 0.00 -2.07 0.00 0.00 59.70 57.88 1mor h MET 308 Cb 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1mor h MET 308 CO -0.11 0.50 -0.08 0.28 1.07 0.00 0.00 176.91 178.57 1mor h VAL 309 N 0.38 0.94 -0.77 -2.22 2.07 -0.83 -3.16 116.25 112.67 1mor h VAL 309 Ca 0.08 -0.54 0.18 0.00 0.82 0.00 0.00 66.70 67.24 1mor h VAL 309 Cb 0.39 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1mor h VAL 309 CO 0.02 0.13 0.52 0.77 0.02 0.00 0.00 177.57 179.03 1mor h SER 310 N -0.49 0.26 -0.71 0.57 4.64 -1.09 0.63 113.55 117.35 1mor h SER 310 Ca -0.02 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1mor h SER 310 Cb 0.38 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 1mor h SER 310 CO 0.04 0.12 0.47 -0.09 -0.87 0.00 0.00 176.83 176.49 1mor h ARG 311 N 0.26 0.85 -0.57 4.77 2.43 -1.32 0.98 114.38 121.78 1mor h ARG 311 Ca 0.38 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1mor h ARG 311 Cb 1.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1mor h ARG 311 CO -0.09 0.56 -0.05 1.88 -1.51 0.00 0.00 179.97 180.76 1mor h TYR 312 N 0.87 1.14 0.29 2.20 0.05 -0.96 -2.70 116.97 117.87 1mor h TYR 312 Ca 0.28 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1mor h TYR 312 Cb 0.03 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1mor h TYR 312 CO -0.00 1.03 -0.14 -1.49 -1.05 0.00 0.00 178.16 176.51 1mor h TRP 313 N 0.94 -0.36 -0.61 4.88 6.55 -1.41 -1.97 115.95 123.97 1mor h TRP 313 Ca 0.16 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 60.03 1mor h TRP 313 Cb 0.61 0.12 -0.05 0.00 -0.86 0.00 0.00 29.16 28.98 1mor h TRP 313 CO 0.04 -0.07 0.35 0.74 -1.05 0.00 0.00 178.44 178.45 1mor h PHE 314 N -0.64 0.65 -0.08 0.49 0.04 -0.84 0.16 116.94 116.71 1mor h PHE 314 Ca -0.04 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 1mor h PHE 314 Cb 0.46 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1mor h PHE 314 CO 0.01 0.34 -0.84 0.93 -0.60 0.00 0.00 178.31 178.15 1mor h GLU 315 N 0.67 0.61 0.05 1.51 5.08 -1.48 -2.14 114.58 118.89 1mor h GLU 315 Ca 0.26 -0.55 -0.30 0.00 -1.00 0.00 0.00 59.36 57.77 1mor h GLU 315 Cb 0.10 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1mor h GLU 315 CO -0.14 1.17 -1.62 0.66 -1.00 0.00 0.00 179.01 178.08 1mor h SER 316 N 0.39 0.17 0.02 1.42 4.64 -1.20 -3.18 113.55 115.82 1mor h SER 316 Ca -0.07 -0.30 -0.35 0.00 -0.47 0.00 0.00 61.79 60.61 1mor h SER 316 Cb 1.46 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.45 1mor h SER 316 CO 0.16 1.26 -1.95 0.18 -0.87 0.00 0.00 176.83 175.61 1mor n LEU 317 N -3.26 2.15 -0.66 5.97 4.77 0.54 -4.47 117.00 122.03 1mor n LEU 317 Ca -0.17 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1mor n LEU 317 Cb 1.03 -0.94 0.19 0.00 -2.33 0.00 0.00 43.42 41.37 1mor n LEU 317 CO 0.46 0.55 0.59 0.00 -1.33 0.00 0.00 177.39 177.66 1mor n ALA 318 N -3.61 2.86 -1.37 -1.18 0.00 -1.06 -4.88 120.51 111.26 1mor n ALA 318 Ca -0.41 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 1mor n ALA 318 Cb 0.84 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1mor n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mor n GLY 319 N 1.33 1.28 3.71 0.00 0.00 -0.83 -4.81 105.19 105.87 1mor n GLY 319 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1mor n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mor s ILE 320 N -2.12 5.33 0.24 -0.61 1.01 -1.06 -4.93 121.20 119.05 1mor s ILE 320 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 60.65 60.75 1mor s ILE 320 Cb 0.00 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 1mor s ILE 320 CO 0.00 0.38 1.61 -2.65 0.00 0.00 0.00 174.94 174.28 1mor n PRO 321 N 3.80 2.55 -4.24 2.79 -0.02 -1.26 -3.44 135.00 135.19 1mor n PRO 321 Ca -0.13 0.91 -0.17 0.00 -2.02 0.00 0.00 63.50 62.10 1mor n PRO 321 Cb 0.52 -2.70 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 1mor n PRO 321 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mor s ASP 323 N -0.41 1.45 -0.07 0.00 1.01 -0.18 -4.98 116.67 113.49 1mor s ASP 323 Ca 0.01 -0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.09 1mor s ASP 323 Cb -0.04 -0.34 -0.01 0.00 1.01 0.00 0.00 42.92 43.54 1mor s ASP 323 CO -0.00 0.10 -0.24 -0.69 0.21 0.00 0.00 175.17 174.56 1mor s VAL 324 N 0.06 2.17 0.01 -1.27 1.01 -1.26 0.83 120.40 121.94 1mor s VAL 324 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1mor s VAL 324 Cb -0.08 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1mor s VAL 324 CO 0.01 0.57 -0.03 -0.70 0.00 0.00 0.00 175.10 174.94 1mor s GLU 325 N -0.04 0.24 0.17 2.72 2.12 0.35 -4.93 118.70 119.33 1mor s GLU 325 Ca -0.07 -0.31 -0.32 0.00 0.36 0.00 0.00 54.97 54.63 1mor s GLU 325 Cb -0.15 -0.09 -0.12 0.00 0.26 0.00 0.00 34.13 34.03 1mor s GLU 325 CO 0.05 0.02 1.72 -0.89 -0.54 0.00 0.00 175.26 175.62 1mor n ILE 326 N 2.43 0.09 -0.27 -3.70 2.08 -1.26 -2.78 119.36 115.95 1mor n ILE 326 Ca -0.17 -0.02 0.01 0.00 0.56 0.00 0.00 62.75 63.13 1mor n ILE 326 Cb 0.58 -1.92 0.13 0.00 -0.75 0.00 0.00 39.64 37.68 1mor n ILE 326 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mor h ALA 327 N 7.02 1.04 -0.30 -1.39 0.00 -1.61 -1.49 119.26 122.52 1mor h ALA 327 Ca -0.44 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1mor h ALA 327 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1mor h ALA 327 CO 0.94 0.09 0.07 0.66 0.00 0.00 0.00 179.25 181.01 1mor h SER 328 N 0.75 0.40 -0.16 0.00 4.64 -1.86 -2.05 113.55 115.26 1mor h SER 328 Ca 0.35 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.41 1mor h SER 328 Cb 0.26 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1mor h SER 328 CO -0.21 0.41 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.11 1mor h GLU 329 N 0.43 0.80 -0.15 4.77 4.39 -1.67 -3.24 114.58 119.92 1mor h GLU 329 Ca 0.10 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1mor h GLU 329 Cb 0.18 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1mor h GLU 329 CO -0.00 1.22 0.06 0.35 -1.16 0.00 0.00 179.01 179.48 1mor h PHE 330 N 0.57 0.23 0.00 4.33 3.57 -0.96 -3.16 116.94 121.52 1mor h PHE 330 Ca -0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1mor h PHE 330 Cb 1.34 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1mor h PHE 330 CO 0.08 0.32 0.00 0.07 -2.23 0.00 0.00 178.31 176.55 1mor h ARG 331 N 0.08 0.00 -0.39 1.11 0.11 -1.46 -2.93 114.38 110.90 1mor h ARG 331 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1mor h ARG 331 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1mor h ARG 331 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1mor n TYR 332 N -2.62 0.51 -4.46 4.08 4.01 -1.20 -4.99 117.16 112.49 1mor n TYR 332 Ca 0.00 -0.35 -0.22 0.00 -0.16 0.00 0.00 57.90 57.17 1mor n TYR 332 Cb 0.19 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 1mor n TYR 332 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1mor s ARG 333 N -1.13 1.62 -0.50 -0.72 1.70 -1.11 -5.09 118.95 113.72 1mor s ARG 333 Ca 0.31 -1.85 -0.20 0.00 -0.47 0.00 0.00 55.73 53.53 1mor s ARG 333 Cb 0.18 -1.20 0.05 0.00 -0.57 0.00 0.00 34.95 33.41 1mor s ARG 333 CO 0.24 0.00 0.67 0.21 -1.08 0.00 0.00 175.30 175.34 1mor s LYS 334 N -3.74 3.18 0.27 3.89 2.20 -1.26 -4.98 119.74 119.29 1mor s LYS 334 Ca 0.31 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1mor s LYS 334 Cb 0.05 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 1mor s LYS 334 CO 0.13 -1.21 0.42 -1.54 -0.36 0.00 0.00 175.35 172.79 1mor s SER 335 N 2.57 6.32 -0.24 1.43 1.04 -1.26 -5.08 113.70 118.48 1mor s SER 335 Ca 0.18 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.64 1mor s SER 335 Cb -0.17 -1.93 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 1mor s SER 335 CO 0.14 -0.14 0.63 0.00 0.98 0.00 0.00 173.24 174.85 1mor s ALA 336 N -2.08 3.60 0.34 5.32 0.00 -1.26 -5.05 121.76 122.63 1mor s ALA 336 Ca 0.36 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 1mor s ALA 336 Cb -0.09 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1mor s ALA 336 CO 0.31 -0.76 1.00 0.08 0.00 0.00 0.00 175.76 176.40 1mor s VAL 337 N 2.39 3.92 0.18 0.00 1.01 -1.26 -5.05 120.40 121.59 1mor s VAL 337 Ca 0.27 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 1mor s VAL 337 Cb -0.16 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1mor s VAL 337 CO 0.09 0.14 0.41 -0.13 0.00 0.00 0.00 175.10 175.61 1mor s ARG 338 N -2.09 3.61 0.18 2.72 3.00 -1.26 -5.04 118.95 120.07 1mor s ARG 338 Ca 0.52 -0.11 -0.31 0.00 0.00 0.00 0.00 55.73 55.83 1mor s ARG 338 Cb -0.22 -2.81 -0.09 0.00 0.00 0.00 0.00 34.95 31.83 1mor s ARG 338 CO 0.28 0.41 1.42 0.50 0.00 0.00 0.00 175.30 177.92 1mor s ARG 339 N -2.92 4.30 -1.45 3.54 3.52 -1.26 -3.17 118.95 121.52 1mor s ARG 339 Ca 0.41 2.19 -0.07 0.00 -0.13 0.00 0.00 55.73 58.14 1mor s ARG 339 Cb -0.12 -3.18 0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1mor s ARG 339 CO 0.26 -0.43 0.76 0.09 -0.81 0.00 0.00 175.30 175.17 1mor n ASN 340 N 3.20 -2.51 -4.73 -2.12 3.02 -1.26 -4.30 115.26 106.56 1mor n ASN 340 Ca 0.09 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1mor n ASN 340 Cb 0.41 -3.68 -0.04 0.00 -0.61 0.00 0.00 39.78 35.85 1mor n ASN 340 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1mor s SER 341 N -3.89 7.31 -0.13 6.41 0.15 -1.19 -1.61 113.70 120.76 1mor s SER 341 Ca 0.31 1.57 -0.10 0.00 0.70 0.00 0.00 55.95 58.44 1mor s SER 341 Cb -0.16 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1mor s SER 341 CO 0.84 -0.07 0.20 -0.22 1.20 0.00 0.00 173.24 175.19 1mor s LEU 342 N 0.20 4.33 -0.25 3.45 2.96 0.51 -0.65 118.68 129.24 1mor s LEU 342 Ca 0.43 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 1mor s LEU 342 Cb -0.21 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1mor s LEU 342 CO 0.26 0.29 0.15 -0.32 -1.32 0.00 0.00 176.35 175.41 1mor s MET 343 N -0.44 3.98 -0.06 1.98 -2.45 -0.59 -0.93 119.30 120.79 1mor s MET 343 Ca 0.15 -0.32 0.05 0.00 -1.25 0.00 0.00 55.69 54.32 1mor s MET 343 Cb -0.12 -3.53 -0.02 0.00 1.25 0.00 0.00 34.83 32.41 1mor s MET 343 CO 0.04 -0.03 -0.21 0.42 1.05 0.00 0.00 175.02 176.28 1mor s ILE 344 N 1.30 2.41 -0.03 10.11 1.01 0.27 0.26 121.20 136.54 1mor s ILE 344 Ca 0.07 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1mor s ILE 344 Cb -0.14 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1mor s ILE 344 CO 0.06 0.57 -0.18 0.42 0.00 0.00 0.00 174.94 175.81 1mor s THR 345 N -0.27 2.72 -0.14 2.92 -4.23 -0.73 -1.53 115.64 114.37 1mor s THR 345 Ca 0.00 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1mor s THR 345 Cb -0.13 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 1mor s THR 345 CO 0.03 0.55 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.72 1mor s LEU 346 N -0.80 2.38 -0.27 4.79 1.43 -1.03 -1.41 118.68 123.78 1mor s LEU 346 Ca 0.11 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1mor s LEU 346 Cb -0.10 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1mor s LEU 346 CO 0.01 0.11 0.64 -0.55 0.23 0.00 0.00 176.35 176.79 1mor s SER 347 N 0.68 -0.90 0.04 2.29 0.15 -0.74 -4.56 113.70 110.66 1mor s SER 347 Ca -0.08 1.43 -0.26 0.00 0.70 0.00 0.00 55.95 57.73 1mor s SER 347 Cb -0.16 1.39 -0.17 0.00 -1.71 0.00 0.00 66.02 65.37 1mor s SER 347 CO 0.02 -0.23 1.43 -0.61 1.20 0.00 0.00 173.24 175.04 1mor h GLN 348 N 7.13 -0.39 0.00 5.44 -0.00 -1.94 -3.21 115.11 122.14 1mor h GLN 348 Ca -0.30 0.03 -0.19 0.00 -0.00 0.00 0.00 58.65 58.19 1mor h GLN 348 Cb 1.21 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 28.75 1mor h GLN 348 CO 0.17 -0.13 -0.91 0.66 0.00 0.00 0.00 178.83 178.63 1mor h SER 349 N -0.62 0.02 -0.22 -0.69 4.64 -1.95 -2.69 113.55 112.04 1mor h SER 349 Ca -0.04 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 1mor h SER 349 Cb 0.44 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1mor h SER 349 CO 0.07 0.91 -0.08 0.61 -0.87 0.00 0.00 176.83 177.47 1mor n GLY 350 N 1.06 0.70 0.00 -0.77 0.00 -1.25 -4.64 105.19 100.29 1mor n GLY 350 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1mor n GLY 350 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mor n GLU 351 N -2.18 -0.54 -1.64 1.61 -0.58 -1.26 -1.49 120.64 114.55 1mor n GLU 351 Ca -0.05 -0.27 -0.45 0.00 -0.42 0.00 0.00 57.16 55.97 1mor n GLU 351 Cb 0.24 -0.77 -0.04 0.00 -0.57 0.00 0.00 31.44 30.29 1mor n GLU 351 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1mor n THR 352 N -0.00 0.58 -0.11 2.62 -1.04 -1.26 -4.36 114.28 110.70 1mor n THR 352 Ca 0.00 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 61.76 1mor n THR 352 Cb 0.11 -2.14 0.02 0.00 -1.82 0.00 0.00 70.33 66.50 1mor n THR 352 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mor h ALA 353 N 11.04 0.36 0.00 2.41 0.00 -1.36 -1.73 119.26 129.98 1mor h ALA 353 Ca -0.46 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1mor h ALA 353 Cb 1.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1mor h ALA 353 CO 0.95 -0.38 -0.35 -0.44 0.00 0.00 0.00 179.25 179.03 1mor h ASP 354 N 0.13 0.00 -0.11 0.00 3.32 -1.90 -1.41 116.42 116.45 1mor h ASP 354 Ca 0.18 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1mor h ASP 354 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1mor h ASP 354 CO -0.28 0.35 -0.09 0.74 -1.72 0.00 0.00 179.24 178.23 1mor h THR 355 N 0.00 1.35 -0.36 0.35 2.02 -1.70 -2.14 112.91 112.44 1mor h THR 355 Ca -0.00 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.00 1mor h THR 355 Cb 0.64 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1mor h THR 355 CO 0.05 0.35 0.10 0.25 0.37 0.00 0.00 175.52 176.63 1mor h LEU 356 N -0.14 0.07 -0.48 2.58 5.85 -1.24 -1.44 115.31 120.51 1mor h LEU 356 Ca 0.02 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1mor h LEU 356 Cb 0.60 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1mor h LEU 356 CO 0.02 0.08 0.17 0.00 -0.34 0.00 0.00 178.44 178.37 1mor h ALA 357 N 1.25 0.59 -0.56 1.25 0.00 -1.25 -0.95 119.26 119.58 1mor h ALA 357 Ca 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1mor h ALA 357 Cb 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1mor h ALA 357 CO -0.20 -0.22 0.17 0.78 0.00 0.00 0.00 179.25 179.78 1mor h GLY 358 N 0.35 0.91 0.64 0.00 0.00 -0.80 -1.46 103.07 102.71 1mor h GLY 358 Ca 0.23 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1mor h GLY 358 CO -0.23 0.47 -0.46 -2.00 0.00 0.00 0.00 176.54 174.32 1mor h LEU 359 N 0.82 -1.21 -0.32 3.11 6.46 -0.35 -1.42 115.31 122.41 1mor h LEU 359 Ca 0.19 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 58.10 1mor h LEU 359 Cb 0.25 0.37 -0.08 0.00 -0.73 0.00 0.00 40.66 40.48 1mor h LEU 359 CO -0.01 -0.67 -0.23 0.03 -0.62 0.00 0.00 178.44 176.94 1mor h ARG 360 N -1.05 -0.19 -0.94 1.25 3.08 -1.07 -0.76 114.38 114.69 1mor h ARG 360 Ca -0.08 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.13 1mor h ARG 360 Cb 0.87 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.88 1mor h ARG 360 CO 0.04 -0.13 0.60 1.25 -1.07 0.00 0.00 179.97 180.66 1mor h LEU 361 N -0.20 0.72 -2.03 3.04 5.85 -1.20 0.52 115.31 122.01 1mor h LEU 361 Ca 0.16 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1mor h LEU 361 Cb 0.45 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1mor h LEU 361 CO -0.43 0.34 -0.04 0.77 -0.34 0.00 0.00 178.44 178.74 1mor h SER 362 N 0.75 0.00 -0.25 1.25 4.64 0.00 -1.87 113.55 118.07 1mor h SER 362 Ca 0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.77 1mor h SER 362 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1mor h SER 362 CO -0.25 0.04 0.03 0.11 -0.87 0.00 0.00 176.83 175.88 1mor h LYS 363 N 0.00 0.52 -0.00 4.77 1.57 -0.57 -2.21 116.57 120.65 1mor h LYS 363 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1mor h LYS 363 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1mor h LYS 363 CO 0.00 0.53 -0.10 0.39 -0.57 0.00 0.00 179.45 179.70 1mor n GLU 364 N -4.30 0.67 0.00 3.15 1.02 -0.72 -4.21 120.64 116.26 1mor n GLU 364 Ca 0.02 -0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.03 1mor n GLU 364 Cb 0.22 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1mor n GLU 364 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mor n LEU 365 N -0.97 1.86 0.00 -4.62 4.77 -0.83 -5.02 117.00 112.19 1mor n LEU 365 Ca 0.14 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1mor n LEU 365 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1mor n LEU 365 CO 0.24 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1mor n GLY 366 N 1.28 1.42 3.78 -0.72 0.00 -1.24 -4.82 105.19 104.88 1mor n GLY 366 Ca 0.08 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1mor n GLY 366 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mor s TYR 367 N -2.00 3.55 0.44 1.61 2.02 -1.26 -4.74 117.35 116.98 1mor s TYR 367 Ca 0.00 1.73 0.13 0.00 -0.37 0.00 0.00 57.07 58.56 1mor s TYR 367 Cb 0.00 -3.05 1.03 0.00 -0.40 0.00 0.00 41.96 39.53 1mor s TYR 367 CO 0.00 -0.18 2.01 1.25 -1.57 0.00 0.00 175.55 177.07 1mor h LEU 368 N 3.12 0.34 0.00 -1.29 5.85 -1.20 -3.47 115.31 118.66 1mor h LEU 368 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1mor h LEU 368 Cb 1.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1mor h LEU 368 CO 0.65 0.22 0.00 0.61 -0.34 0.00 0.00 178.44 179.58 1mor n GLY 369 N -1.52 -0.59 3.13 3.75 0.00 -1.26 -5.05 105.19 103.65 1mor n GLY 369 Ca 0.07 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 1mor n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mor s SER 370 N 0.00 1.79 -0.08 1.61 1.04 -1.26 -1.54 113.70 115.26 1mor s SER 370 Ca 0.00 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1mor s SER 370 Cb 0.00 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1mor s SER 370 CO 0.00 0.18 -0.11 -0.22 0.98 0.00 0.00 173.24 174.07 1mor s LEU 371 N -0.42 1.51 -0.18 2.42 2.96 0.14 -1.25 118.68 123.86 1mor s LEU 371 Ca 0.06 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1mor s LEU 371 Cb -0.06 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1mor s LEU 371 CO -0.00 -0.01 0.08 0.00 -1.32 0.00 0.00 176.35 175.10 1mor s ALA 372 N 0.96 3.49 -0.28 5.97 0.00 0.18 -1.78 121.76 130.30 1mor s ALA 372 Ca -0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1mor s ALA 372 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1mor s ALA 372 CO 0.00 0.19 0.03 0.42 0.00 0.00 0.00 175.76 176.40 1mor s ILE 373 N 0.31 3.48 0.15 0.00 1.01 -0.50 -1.12 121.20 124.54 1mor s ILE 373 Ca 0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 1mor s ILE 373 Cb -0.12 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1mor s ILE 373 CO -0.00 0.07 0.30 0.00 0.00 0.00 0.00 174.94 175.31 1mor n ASN 375 N -0.20 1.25 -4.07 0.00 5.15 -1.02 -1.13 115.26 115.23 1mor n ASN 375 Ca -0.10 -1.13 -0.32 0.00 -0.60 0.00 0.00 54.58 52.44 1mor n ASN 375 Cb 0.63 0.51 -0.15 0.00 -0.53 0.00 0.00 39.78 40.24 1mor n ASN 375 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mor s VAL 376 N -1.53 2.20 0.31 3.44 1.01 -1.17 -4.73 120.40 119.93 1mor s VAL 376 Ca 0.09 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 1mor s VAL 376 Cb 0.09 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.06 1mor s VAL 376 CO 0.30 -0.03 1.57 -2.16 0.00 0.00 0.00 175.10 174.78 1mor s PRO 377 N 1.11 4.12 -1.46 2.72 0.04 -1.26 -3.15 135.00 137.11 1mor s PRO 377 Ca -0.09 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1mor s PRO 377 Cb -0.20 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1mor s PRO 377 CO -0.05 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1mor n GLY 378 N 1.78 0.05 3.95 0.56 0.00 -1.26 -5.02 105.19 105.26 1mor n GLY 378 Ca 0.07 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1mor n GLY 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mor s SER 379 N -2.37 5.25 0.21 1.61 1.04 -1.19 -4.77 113.70 113.48 1mor s SER 379 Ca 0.00 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 1mor s SER 379 Cb 0.00 -1.12 0.29 0.00 0.10 0.00 0.00 66.02 65.29 1mor s SER 379 CO 0.00 -1.21 1.68 0.28 0.98 0.00 0.00 173.24 174.97 1mor h SER 380 N -0.11 -0.15 -0.03 7.02 0.02 -1.86 0.22 113.55 118.67 1mor h SER 380 Ca -0.44 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1mor h SER 380 Cb 1.29 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1mor h SER 380 CO 0.56 -0.06 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.06 1mor h LEU 381 N 0.18 0.21 0.11 5.07 3.38 -1.64 -0.10 115.31 122.51 1mor h LEU 381 Ca 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1mor h LEU 381 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1mor h LEU 381 CO -0.47 0.30 -0.05 0.58 0.09 0.00 0.00 178.44 178.90 1mor h VAL 382 N 0.22 1.11 -0.74 1.22 2.07 -1.44 -2.88 116.25 115.81 1mor h VAL 382 Ca 0.05 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.54 1mor h VAL 382 Cb 0.25 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1mor h VAL 382 CO 0.01 0.25 0.42 0.03 0.02 0.00 0.00 177.57 178.31 1mor h ARG 383 N -0.68 0.74 -0.25 1.57 3.08 -0.24 -2.85 114.38 115.74 1mor h ARG 383 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1mor h ARG 383 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1mor h ARG 383 CO 0.02 0.49 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 1mor n GLU 384 N -4.75 1.86 -3.61 0.04 1.02 -0.09 -4.92 120.64 110.20 1mor n GLU 384 Ca 0.10 -1.31 -0.26 0.00 -0.02 0.00 0.00 57.16 55.67 1mor n GLU 384 Cb 0.20 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1mor n GLU 384 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mor s SER 385 N -1.40 6.36 0.01 1.62 0.01 -1.08 -5.02 113.70 114.21 1mor s SER 385 Ca 0.31 0.41 -0.25 0.00 1.31 0.00 0.00 55.95 57.73 1mor s SER 385 Cb 0.17 -2.01 -0.16 0.00 0.21 0.00 0.00 66.02 64.22 1mor s SER 385 CO 0.24 -0.12 1.24 0.44 0.41 0.00 0.00 173.24 175.46 1mor h ASP 386 N 1.60 -0.37 -2.66 2.44 3.32 -1.76 -3.46 116.42 115.53 1mor h ASP 386 Ca -0.49 -0.16 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 1mor h ASP 386 Cb 1.20 0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.72 1mor h ASP 386 CO 0.66 -0.01 -0.69 -0.76 -1.72 0.00 0.00 179.24 176.72 1mor s LEU 387 N -9.52 3.06 -0.15 1.55 1.43 -0.38 -5.03 118.68 109.63 1mor s LEU 387 Ca -0.14 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 1mor s LEU 387 Cb 0.02 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1mor s LEU 387 CO 0.54 0.06 0.38 0.00 0.23 0.00 0.00 176.35 177.56 1mor s ALA 388 N -1.97 -0.94 -0.31 4.21 0.00 -1.26 -0.64 121.76 120.84 1mor s ALA 388 Ca 0.28 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 1mor s ALA 388 Cb -0.08 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1mor s ALA 388 CO 0.17 -0.24 0.01 -0.51 0.00 0.00 0.00 175.76 175.19 1mor s LEU 389 N 1.17 4.03 0.36 0.00 1.43 -0.27 -4.86 118.68 120.53 1mor s LEU 389 Ca -0.08 -1.43 -0.25 0.00 -1.03 0.00 0.00 54.13 51.33 1mor s LEU 389 Cb -0.08 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1mor s LEU 389 CO -0.10 -0.29 1.02 -0.04 0.23 0.00 0.00 176.35 177.18 1mor s MET 390 N 1.19 4.36 0.23 1.70 -1.94 -1.26 -3.30 119.30 120.29 1mor s MET 390 Ca -0.03 1.50 0.14 0.00 -1.71 0.00 0.00 55.69 55.58 1mor s MET 390 Cb -0.20 -2.72 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 1mor s MET 390 CO -0.02 0.04 1.35 1.79 -0.01 0.00 0.00 175.02 178.17 1mor h THR 391 N 2.46 1.00 -5.98 2.05 1.35 -1.46 -3.47 112.91 108.85 1mor h THR 391 Ca -0.48 -2.44 -0.42 0.00 -0.55 0.00 0.00 66.41 62.52 1mor h THR 391 Cb 1.21 2.48 0.09 0.00 -1.73 0.00 0.00 68.15 70.19 1mor h THR 391 CO 0.64 0.57 -0.71 0.59 -0.25 0.00 0.00 175.52 176.36 1mor n ASN 392 N -3.22 -5.60 -0.12 5.36 3.02 -1.26 -4.25 115.26 109.20 1mor n ASN 392 Ca 0.00 -0.62 0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1mor n ASN 392 Cb 0.79 -4.67 0.39 0.00 -0.61 0.00 0.00 39.78 35.67 1mor n ASN 392 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mor n ALA 393 N -4.86 3.14 0.00 5.41 0.00 -1.26 -4.46 120.51 118.48 1mor n ALA 393 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1mor n ALA 393 Cb 0.56 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1mor n ALA 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mor n GLY 394 N 1.40 -1.02 3.72 0.00 0.00 -1.26 -4.84 105.19 103.18 1mor n GLY 394 Ca 0.10 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1mor n GLY 394 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mor n THR 395 N -1.23 0.62 -3.88 2.61 -1.04 -1.26 -4.98 114.28 105.12 1mor n THR 395 Ca 0.00 -0.15 -0.36 0.00 -2.04 0.00 0.00 64.05 61.50 1mor n THR 395 Cb 0.00 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 66.52 1mor n THR 395 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1mor s GLU 396 N 0.13 2.76 -0.15 -2.82 2.12 -1.26 -4.77 118.70 114.71 1mor s GLU 396 Ca 0.69 -1.05 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 1mor s GLU 396 Cb -0.54 -3.18 -0.24 0.00 0.26 0.00 0.00 34.13 30.43 1mor s GLU 396 CO 0.43 -0.50 0.25 -0.89 -0.54 0.00 0.00 175.26 174.01 1mor n ILE 397 N 4.72 1.70 -1.69 -3.70 2.08 -1.26 -4.94 119.36 116.26 1mor n ILE 397 Ca -0.15 -0.65 -0.43 0.00 0.56 0.00 0.00 62.75 62.08 1mor n ILE 397 Cb 0.46 -1.58 -0.01 0.00 -0.75 0.00 0.00 39.64 37.75 1mor n ILE 397 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1mor n GLY 398 N 2.02 0.63 0.30 7.39 0.00 -1.26 -4.87 105.19 109.40 1mor n GLY 398 Ca -0.34 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1mor n GLY 398 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mor h VAL 399 N 2.65 1.17 -3.32 1.61 2.07 -1.71 -3.40 116.25 115.32 1mor h VAL 399 Ca -0.46 -0.52 -0.57 0.00 0.82 0.00 0.00 66.70 65.97 1mor h VAL 399 Cb 1.28 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1mor h VAL 399 CO 0.65 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 178.41 1mor s ALA 400 N -5.35 3.44 0.13 1.67 0.00 -1.26 -4.63 121.76 115.77 1mor s ALA 400 Ca -0.09 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1mor s ALA 400 Cb 0.16 -2.75 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 1mor s ALA 400 CO 0.76 0.03 1.08 0.45 0.00 0.00 0.00 175.76 178.08 1mor s SER 401 N 0.42 7.29 0.00 0.00 0.15 -1.26 -4.97 113.70 115.33 1mor s SER 401 Ca 0.31 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1mor s SER 401 Cb -0.17 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1mor s SER 401 CO 0.14 -0.24 0.00 0.35 1.20 0.00 0.00 173.24 174.70 1mor n THR 402 N 2.82 0.00 0.27 6.45 -2.24 -1.26 -4.72 114.28 115.60 1mor n THR 402 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1mor n THR 402 Cb 0.47 -0.35 0.77 0.00 -2.10 0.00 0.00 70.33 69.12 1mor n THR 402 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1mor h LYS 403 N 0.00 0.00 0.00 -0.78 2.10 -1.93 -0.76 116.57 115.19 1mor h LYS 403 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1mor h LYS 403 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1mor h LYS 403 CO 0.00 0.04 -0.35 0.00 -2.00 0.00 0.00 179.45 177.14 1mor h ALA 404 N 1.96 1.36 -0.01 0.07 0.00 -1.93 -1.56 119.26 119.14 1mor h ALA 404 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1mor h ALA 404 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mor h ALA 404 CO 0.00 0.44 -0.35 0.35 0.00 0.00 0.00 179.25 179.70 1mor h PHE 405 N 0.00 0.37 -0.52 0.00 3.57 -1.43 -2.10 116.94 116.83 1mor h PHE 405 Ca -0.00 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.21 1mor h PHE 405 Cb 0.65 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1mor h PHE 405 CO 0.00 0.99 -0.04 1.79 -2.23 0.00 0.00 178.31 178.81 1mor h THR 406 N -0.35 1.26 -0.08 4.41 1.35 -1.46 -1.60 112.91 116.44 1mor h THR 406 Ca -0.04 -1.14 -0.14 0.00 -0.55 0.00 0.00 66.41 64.54 1mor h THR 406 Cb 1.07 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1mor h THR 406 CO 0.07 0.40 -0.58 0.71 -0.25 0.00 0.00 175.52 175.88 1mor h THR 407 N 0.84 1.37 -0.62 6.82 1.35 -1.37 -1.78 112.91 119.52 1mor h THR 407 Ca 0.15 -1.91 -0.05 0.00 -0.55 0.00 0.00 66.41 64.05 1mor h THR 407 Cb 0.56 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.90 1mor h THR 407 CO 0.03 0.57 0.20 1.56 -0.25 0.00 0.00 175.52 177.63 1mor h GLN 408 N 0.19 0.96 -0.36 4.72 4.20 -1.05 -1.80 115.11 121.96 1mor h GLN 408 Ca -0.00 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 1mor h GLN 408 Cb 1.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1mor h GLN 408 CO 0.09 0.84 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.00 1mor h LEU 409 N 0.89 0.55 0.18 1.46 3.38 -1.04 -1.52 115.31 119.21 1mor h LEU 409 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1mor h LEU 409 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1mor h LEU 409 CO -0.01 0.64 -0.09 0.74 0.09 0.00 0.00 178.44 179.81 1mor h THR 410 N 0.55 0.88 -0.84 0.22 2.02 -0.92 -1.57 112.91 113.26 1mor h THR 410 Ca 0.11 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1mor h THR 410 Cb 0.38 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1mor h THR 410 CO 0.02 0.06 0.54 0.58 0.37 0.00 0.00 175.52 177.08 1mor h VAL 411 N -0.36 1.12 -0.34 3.16 2.07 -1.21 -1.57 116.25 119.12 1mor h VAL 411 Ca -0.02 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1mor h VAL 411 Cb 0.28 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1mor h VAL 411 CO 0.04 0.19 -0.05 -0.07 0.02 0.00 0.00 177.57 177.69 1mor h LEU 412 N 1.03 0.53 -0.60 2.57 3.38 -1.12 -2.05 115.31 119.05 1mor h LEU 412 Ca 0.34 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1mor h LEU 412 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1mor h LEU 412 CO -0.13 0.63 -0.11 0.25 0.09 0.00 0.00 178.44 179.17 1mor h LEU 413 N 0.52 0.99 -0.64 1.67 5.85 -0.60 -0.56 115.31 122.54 1mor h LEU 413 Ca 0.10 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1mor h LEU 413 Cb 0.42 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1mor h LEU 413 CO 0.02 1.11 0.42 0.24 -0.34 0.00 0.00 178.44 179.88 1mor h MET 414 N 0.88 0.81 -0.50 1.25 2.86 -0.91 -2.08 114.93 117.24 1mor h MET 414 Ca 0.14 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1mor h MET 414 Cb 0.67 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1mor h MET 414 CO 0.05 0.54 0.07 1.25 1.06 0.00 0.00 176.91 179.88 1mor h LEU 415 N 0.84 0.75 -0.85 1.22 5.85 -1.09 -1.60 115.31 120.42 1mor h LEU 415 Ca 0.24 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1mor h LEU 415 Cb -0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1mor h LEU 415 CO -0.07 0.77 0.14 0.58 -0.34 0.00 0.00 178.44 179.52 1mor h VAL 416 N 0.75 1.25 0.56 1.05 2.07 -0.66 -2.59 116.25 118.68 1mor h VAL 416 Ca 0.16 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1mor h VAL 416 Cb 0.35 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mor h VAL 416 CO 0.01 0.35 -0.27 0.00 0.02 0.00 0.00 177.57 177.68 1mor h ALA 417 N 1.20 -0.75 -0.61 1.67 0.00 -0.77 -1.00 119.26 119.01 1mor h ALA 417 Ca 0.20 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1mor h ALA 417 Cb 0.35 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1mor h ALA 417 CO 0.00 -0.83 -0.02 -0.22 0.00 0.00 0.00 179.25 178.18 1mor h LYS 418 N -0.92 0.10 -0.10 0.00 1.63 -1.33 -0.80 116.57 115.14 1mor h LYS 418 Ca -0.08 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.60 1mor h LYS 418 Cb 0.63 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1mor h LYS 418 CO 0.13 0.06 -0.45 -0.07 -3.45 0.00 0.00 179.45 175.67 1mor h LEU 419 N 0.10 0.26 -1.69 5.20 3.38 -1.44 -1.43 115.31 119.69 1mor h LEU 419 Ca 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1mor h LEU 419 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1mor h LEU 419 CO -0.54 0.68 -0.18 0.77 0.09 0.00 0.00 178.44 179.27 1mor h SER 420 N 0.20 0.00 0.24 -0.43 4.64 0.25 -2.29 113.55 116.16 1mor h SER 420 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1mor h SER 420 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1mor h SER 420 CO 0.07 0.18 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.00 1mor h ARG 421 N 0.00 -0.32 -0.27 4.77 2.43 -0.86 0.22 114.38 120.36 1mor h ARG 421 Ca -0.00 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1mor h ARG 421 Cb 0.33 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1mor h ARG 421 CO 0.02 -0.21 0.62 -0.07 -1.51 0.00 0.00 179.97 178.82 1mor h LEU 422 N -0.78 0.00 -1.54 3.80 3.38 -1.23 2.53 115.31 121.48 1mor h LEU 422 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mor h LEU 422 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mor h LEU 422 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.88 1mor n LYS 423 N -3.10 2.02 -3.40 1.13 4.76 -0.87 -4.94 118.16 113.76 1mor n LYS 423 Ca 0.05 -1.52 -0.20 0.00 -2.87 0.00 0.00 58.31 53.76 1mor n LYS 423 Cb 0.73 -1.45 0.06 0.00 -1.84 0.00 0.00 35.03 32.53 1mor n LYS 423 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mor n GLY 424 N 1.27 -1.03 4.00 0.72 0.00 0.85 -5.02 105.19 105.98 1mor n GLY 424 Ca 0.17 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 1mor n GLY 424 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mor s LEU 425 N -5.80 3.66 0.14 0.99 1.43 0.77 -5.00 118.68 114.87 1mor s LEU 425 Ca 0.42 -0.33 -0.34 0.00 -1.03 0.00 0.00 54.13 52.85 1mor s LEU 425 Cb -0.08 -2.71 -0.16 0.00 0.03 0.00 0.00 46.19 43.27 1mor s LEU 425 CO 0.78 -0.76 1.15 -0.67 0.23 0.00 0.00 176.35 177.08 1mor n ASP 426 N -1.88 1.14 0.00 2.29 -0.08 -1.26 -4.76 116.55 112.00 1mor n ASP 426 Ca 0.07 1.14 0.06 0.00 -1.51 0.00 0.00 54.79 54.54 1mor n ASP 426 Cb 0.59 -1.17 0.26 0.00 2.34 0.00 0.00 41.12 43.14 1mor n ASP 426 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mor n ALA 427 N 1.59 1.56 -0.06 -1.67 0.00 -1.26 -2.10 120.51 118.58 1mor n ALA 427 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1mor n ALA 427 Cb 0.22 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1mor n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mor h SER 428 N 0.00 0.17 -0.34 0.00 4.64 -1.99 -1.99 113.55 114.04 1mor h SER 428 Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1mor h SER 428 Cb 0.19 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.17 1mor h SER 428 CO 0.00 0.13 -0.36 0.40 -0.87 0.00 0.00 176.83 176.13 1mor h ILE 429 N 0.25 0.20 -0.34 0.95 2.04 -1.78 0.25 117.51 119.07 1mor h ILE 429 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1mor h ILE 429 Cb 0.03 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1mor h ILE 429 CO -0.07 0.00 0.13 -0.08 0.00 0.00 0.00 178.15 178.14 1mor h GLU 430 N -0.31 0.48 -0.20 2.37 4.81 -1.63 -2.69 114.58 117.41 1mor h GLU 430 Ca 0.15 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1mor h GLU 430 Cb 0.56 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1mor h GLU 430 CO -0.51 0.40 -0.22 0.45 -0.73 0.00 0.00 179.01 178.39 1mor h HIS 431 N 0.48 0.62 -0.78 0.92 3.86 -0.04 -1.23 115.15 118.98 1mor h HIS 431 Ca 0.12 -0.19 0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1mor h HIS 431 Cb 0.10 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.37 1mor h HIS 431 CO 0.00 0.87 0.42 -0.44 0.86 0.00 0.00 177.93 179.65 1mor h ASP 432 N 0.18 0.57 -0.45 2.45 5.19 -0.44 0.64 116.42 124.57 1mor h ASP 432 Ca 0.03 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1mor h ASP 432 Cb 0.78 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 1mor h ASP 432 CO 0.05 0.32 0.17 0.40 -3.12 0.00 0.00 179.24 177.07 1mor h ILE 433 N 0.70 1.21 -0.64 0.35 2.04 -1.38 -0.10 117.51 119.69 1mor h ILE 433 Ca 0.38 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1mor h ILE 433 Cb 0.39 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1mor h ILE 433 CO -0.26 0.24 0.13 0.58 0.00 0.00 0.00 178.15 178.84 1mor h VAL 434 N 0.58 1.25 -0.17 1.67 2.07 -0.59 0.15 116.25 121.21 1mor h VAL 434 Ca 0.15 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1mor h VAL 434 Cb 0.21 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1mor h VAL 434 CO -0.01 0.36 -0.02 0.45 0.02 0.00 0.00 177.57 178.37 1mor h HIS 435 N 0.96 0.34 -0.46 1.57 3.86 -0.69 0.08 115.15 120.82 1mor h HIS 435 Ca 0.20 -0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1mor h HIS 435 Cb 0.38 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.69 1mor h HIS 435 CO 0.03 0.55 0.08 0.78 0.86 0.00 0.00 177.93 180.22 1mor h GLY 436 N 0.04 0.55 1.62 2.45 0.00 -0.71 -0.15 103.07 106.87 1mor h GLY 436 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1mor h GLY 436 CO 0.01 -0.07 0.12 1.41 0.00 0.00 0.00 176.54 178.02 1mor h LEU 437 N 0.21 0.45 -0.61 3.11 3.38 -0.48 -0.55 115.31 120.82 1mor h LEU 437 Ca 0.23 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1mor h LEU 437 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1mor h LEU 437 CO -0.31 0.43 -0.59 1.56 0.09 0.00 0.00 178.44 179.62 1mor h GLN 438 N 0.50 0.34 0.00 1.13 4.20 0.55 -2.91 115.11 118.92 1mor h GLN 438 Ca 0.12 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 1mor h GLN 438 Cb 0.13 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1mor h GLN 438 CO -0.01 0.83 -0.49 0.00 -0.67 0.00 0.00 178.83 178.49 1mor h ALA 439 N 1.12 0.90 -0.62 3.87 0.00 -0.42 -3.40 119.26 120.70 1mor h ALA 439 Ca -0.00 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.56 1mor h ALA 439 Cb 1.11 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1mor h ALA 439 CO 0.10 0.61 -0.41 1.25 0.00 0.00 0.00 179.25 180.80 1mor h LEU 440 N 0.00 -1.42 -1.42 0.00 5.85 -0.91 -2.45 115.31 114.96 1mor h LEU 440 Ca -0.00 0.25 0.18 0.00 0.84 0.00 0.00 57.88 59.14 1mor h LEU 440 Cb 1.07 0.66 -0.07 0.00 0.37 0.00 0.00 40.66 42.70 1mor h LEU 440 CO 0.06 -0.32 0.58 -0.65 -0.34 0.00 0.00 178.44 177.77 1mor h PRO 441 N -0.19 0.49 0.00 5.25 0.11 -1.78 -1.35 132.00 134.53 1mor h PRO 441 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1mor h PRO 441 Cb 0.56 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1mor h PRO 441 CO -0.71 0.33 -1.11 -1.13 -0.21 0.00 0.00 178.00 175.16 1mor n SER 442 N -4.54 0.75 -0.15 -2.05 3.41 -0.99 -2.15 113.62 107.91 1mor n SER 442 Ca 0.18 0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 59.03 1mor n SER 442 Cb 0.61 0.62 0.15 0.00 -0.26 0.00 0.00 64.21 65.33 1mor n SER 442 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1mor h ARG 443 N 0.00 0.89 -0.12 4.33 2.47 -0.83 0.22 114.38 121.33 1mor h ARG 443 Ca 0.00 -0.21 -0.19 0.00 -1.26 0.00 0.00 59.98 58.31 1mor h ARG 443 Cb 0.99 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1mor h ARG 443 CO 0.00 0.83 -0.72 0.82 0.56 0.00 0.00 179.97 181.46 1mor h ILE 444 N 0.84 1.33 -0.14 2.04 2.04 -1.36 0.53 117.51 122.80 1mor h ILE 444 Ca 0.18 -2.03 -0.08 0.00 1.00 0.00 0.00 64.86 63.93 1mor h ILE 444 Cb 0.37 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1mor h ILE 444 CO 0.01 0.62 -0.26 -0.33 0.00 0.00 0.00 178.15 178.19 1mor h GLU 445 N 0.40 0.25 -0.24 2.37 5.08 -1.10 0.10 114.58 121.44 1mor h GLU 445 Ca -0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1mor h GLU 445 Cb 1.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1mor h GLU 445 CO 0.13 0.50 0.12 1.96 -1.00 0.00 0.00 179.01 180.73 1mor h GLN 446 N 0.23 0.34 -0.48 2.33 4.20 -0.10 -2.84 115.11 118.79 1mor h GLN 446 Ca 0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1mor h GLN 446 Cb 0.59 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1mor h GLN 446 CO 0.04 0.33 -0.06 1.98 -0.67 0.00 0.00 178.83 180.45 1mor h MET 447 N 0.26 0.83 0.00 1.46 4.05 -0.12 -2.64 114.93 118.77 1mor h MET 447 Ca 0.08 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1mor h MET 447 Cb 0.10 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1mor h MET 447 CO -0.01 0.88 0.00 -0.07 0.23 0.00 0.00 176.91 177.93 1mor h LEU 448 N 0.76 0.00 0.00 3.39 3.38 -0.62 -1.62 115.31 120.59 1mor h LEU 448 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1mor h LEU 448 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1mor h LEU 448 CO 0.03 0.00 -0.01 -1.54 0.09 0.00 0.00 178.44 177.01 1mor n SER 449 N -3.06 0.65 -0.36 -0.43 3.41 -0.99 -2.57 113.62 110.26 1mor n SER 449 Ca -0.02 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 1mor n SER 449 Cb 0.12 -0.71 0.40 0.00 -0.26 0.00 0.00 64.21 63.75 1mor n SER 449 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mor n GLN 450 N -2.10 1.47 -0.31 4.33 1.13 -0.61 -4.45 117.38 116.84 1mor n GLN 450 Ca 0.06 -0.71 0.11 0.00 -1.94 0.00 0.00 57.00 54.52 1mor n GLN 450 Cb 0.41 -1.34 0.25 0.00 0.11 0.00 0.00 30.24 29.67 1mor n GLN 450 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1mor h ASP 451 N 1.39 -0.39 0.15 1.08 3.58 -1.63 0.36 116.42 120.96 1mor h ASP 451 Ca 0.00 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1mor h ASP 451 Cb 0.31 0.42 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1mor h ASP 451 CO 0.00 -0.28 -0.11 0.11 -2.88 0.00 0.00 179.24 176.08 1mor h LYS 452 N 0.06 0.00 -0.04 0.28 1.57 -1.87 -0.33 116.57 116.25 1mor h LYS 452 Ca 0.53 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.17 1mor h LYS 452 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1mor h LYS 452 CO -0.82 0.11 -0.61 0.00 -0.57 0.00 0.00 179.45 177.57 1mor h ARG 453 N 0.00 0.15 -0.10 3.15 3.08 -0.62 -2.49 114.38 117.55 1mor h ARG 453 Ca -0.00 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.71 1mor h ARG 453 Cb 0.22 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1mor h ARG 453 CO 0.01 0.71 -0.86 0.82 -1.07 0.00 0.00 179.97 179.59 1mor h ILE 454 N 0.11 1.29 -0.74 2.04 1.08 -1.02 -2.55 117.51 117.72 1mor h ILE 454 Ca -0.01 -2.09 0.09 0.00 -0.39 0.00 0.00 64.86 62.46 1mor h ILE 454 Cb 1.10 2.12 -0.07 0.00 -3.07 0.00 0.00 36.82 36.91 1mor h ILE 454 CO 0.09 0.65 0.40 -0.08 -0.69 0.00 0.00 178.15 178.52 1mor h GLU 455 N 0.47 0.66 -0.48 2.37 4.81 -1.02 -0.77 114.58 120.61 1mor h GLU 455 Ca -0.07 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1mor h GLU 455 Cb 1.49 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1mor h GLU 455 CO 0.17 0.44 0.03 0.00 -0.73 0.00 0.00 179.01 178.92 1mor h ALA 456 N 1.42 0.65 -0.34 2.92 0.00 -1.39 -2.85 119.26 119.66 1mor h ALA 456 Ca 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1mor h ALA 456 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1mor h ALA 456 CO -0.24 0.42 0.09 1.25 0.00 0.00 0.00 179.25 180.77 1mor h LEU 457 N 0.69 0.45 -1.99 0.00 5.85 -0.88 -2.77 115.31 116.66 1mor h LEU 457 Ca 0.14 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1mor h LEU 457 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1mor h LEU 457 CO 0.02 0.46 0.23 0.00 -0.34 0.00 0.00 178.44 178.81 1mor h ALA 458 N 1.61 2.29 -0.17 1.25 0.00 -0.93 -0.28 119.26 123.03 1mor h ALA 458 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1mor h ALA 458 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1mor h ALA 458 CO -0.00 -0.39 0.08 0.93 0.00 0.00 0.00 179.25 179.87 1mor h GLU 459 N 0.01 0.23 0.00 0.00 5.08 -1.54 -0.95 114.58 117.42 1mor h GLU 459 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1mor h GLU 459 Cb 0.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1mor h GLU 459 CO -0.00 0.18 0.00 -0.44 -1.00 0.00 0.00 179.01 177.75 1mor h ASP 460 N 0.23 0.00 0.00 1.42 5.19 -1.21 -3.23 116.42 118.82 1mor h ASP 460 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1mor h ASP 460 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1mor h ASP 460 CO -0.01 0.00 -1.21 0.49 -3.12 0.00 0.00 179.24 175.39 1mor n PHE 461 N -2.46 0.00 0.27 4.55 3.01 -0.45 -4.65 117.46 117.73 1mor n PHE 461 Ca 0.04 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.67 1mor n PHE 461 Cb 0.39 -0.18 0.92 0.00 -0.01 0.00 0.00 39.48 40.59 1mor n PHE 461 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1mor h SER 462 N 0.00 0.00 -0.28 4.37 4.64 -1.33 -2.37 113.55 118.58 1mor h SER 462 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mor h SER 462 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1mor h SER 462 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1mor n ASP 463 N -3.73 2.92 -4.87 4.97 5.75 -1.26 -4.92 116.55 115.40 1mor n ASP 463 Ca -0.02 -2.15 -0.32 0.00 -0.01 0.00 0.00 54.79 52.29 1mor n ASP 463 Cb 0.17 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 1mor n ASP 463 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mor s LYS 464 N -1.28 3.82 0.00 0.11 -0.14 -0.89 -5.00 119.74 116.36 1mor s LYS 464 Ca 0.23 0.31 0.18 0.00 -1.36 0.00 0.00 55.97 55.32 1mor s LYS 464 Cb 0.14 -2.62 -0.15 0.00 -1.68 0.00 0.00 37.83 33.52 1mor s LYS 464 CO 0.13 0.30 0.78 0.72 -0.76 0.00 0.00 175.35 176.51 1mor n HIS 465 N -0.18 0.00 -4.13 3.18 8.25 -1.26 -4.88 115.22 116.20 1mor n HIS 465 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1mor n HIS 465 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 1mor n HIS 465 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1mor s HIS 466 N -2.52 0.78 -0.17 4.41 3.76 -1.18 -2.54 115.29 117.82 1mor s HIS 466 Ca 0.08 -1.19 -0.28 0.00 -0.15 0.00 0.00 55.06 53.53 1mor s HIS 466 Cb 0.14 -0.45 0.07 0.00 1.11 0.00 0.00 32.58 33.45 1mor s HIS 466 CO 0.66 -0.50 0.70 0.00 -0.85 0.00 0.00 174.74 174.75 1mor s ALA 467 N -4.02 -1.77 -0.18 -1.40 0.00 -0.97 -4.08 121.76 109.33 1mor s ALA 467 Ca 0.21 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1mor s ALA 467 Cb 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1mor s ALA 467 CO -0.00 -0.35 -0.17 -1.17 0.00 0.00 0.00 175.76 174.06 1mor s LEU 468 N -0.31 2.27 -0.21 0.00 2.96 -0.63 -1.08 118.68 121.68 1mor s LEU 468 Ca -0.05 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 1mor s LEU 468 Cb -0.03 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1mor s LEU 468 CO 0.05 0.01 0.09 -0.36 -1.32 0.00 0.00 176.35 174.83 1mor s PHE 469 N 1.22 3.23 0.07 5.38 0.40 -0.19 -0.75 117.98 127.33 1mor s PHE 469 Ca 0.03 0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1mor s PHE 469 Cb -0.14 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1mor s PHE 469 CO -0.09 0.01 -0.24 -0.51 0.70 0.00 0.00 175.22 175.09 1mor s LEU 470 N 0.85 2.35 0.06 -0.37 1.43 0.10 -0.72 118.68 122.39 1mor s LEU 470 Ca 0.05 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 1mor s LEU 470 Cb -0.13 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.81 1mor s LEU 470 CO 0.03 0.23 0.67 -0.83 0.23 0.00 0.00 176.35 176.68 1mor s GLY 471 N -1.55 -0.58 0.01 -3.19 0.00 -1.20 -1.74 107.32 99.07 1mor s GLY 471 Ca 0.13 0.87 0.06 0.00 0.00 0.00 0.00 44.72 45.79 1mor s GLY 471 CO 0.04 0.47 -0.19 -1.60 0.00 0.00 0.00 173.10 171.82 1mor s ARG 472 N -2.76 1.42 6.15 2.90 3.52 -1.26 -1.18 118.95 127.74 1mor s ARG 472 Ca -0.03 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1mor s ARG 472 Cb -0.01 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 1mor s ARG 472 CO -0.05 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 1mor n GLY 473 N 2.26 3.12 0.07 8.12 0.00 -1.26 -1.89 105.19 115.60 1mor n GLY 473 Ca -0.16 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1mor n GLY 473 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mor n ASP 474 N 2.30 0.24 0.00 1.61 5.75 -1.26 -0.85 116.55 124.35 1mor n ASP 474 Ca 0.00 0.60 0.11 0.00 -0.01 0.00 0.00 54.79 55.49 1mor n ASP 474 Cb 0.00 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 39.50 1mor n ASP 474 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mor n GLN 475 N -1.81 0.05 -0.11 0.11 1.13 -0.79 -4.36 117.38 111.59 1mor n GLN 475 Ca -0.00 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 1mor n GLN 475 Cb 0.04 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 1mor n GLN 475 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1mor h TYR 476 N 0.00 0.47 0.00 1.08 3.20 -0.98 -0.51 116.97 120.23 1mor h TYR 476 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1mor h TYR 476 Cb 0.54 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1mor h TYR 476 CO 0.00 0.31 -0.03 -1.35 -1.64 0.00 0.00 178.16 175.45 1mor h PRO 477 N 0.49 0.00 0.08 1.82 0.11 -1.76 -0.99 132.00 131.75 1mor h PRO 477 Ca 0.13 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.00 1mor h PRO 477 Cb -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1mor h PRO 477 CO -0.03 0.03 -1.11 0.82 -0.21 0.00 0.00 178.00 177.50 1mor h ILE 478 N 0.00 1.52 -0.70 4.15 1.08 -1.35 -2.11 117.51 120.11 1mor h ILE 478 Ca -0.00 -2.97 -0.05 0.00 -0.39 0.00 0.00 64.86 61.45 1mor h ILE 478 Cb 0.29 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.80 1mor h ILE 478 CO 0.00 0.86 0.24 0.00 -0.69 0.00 0.00 178.15 178.57 1mor h ALA 479 N 0.72 0.91 -0.21 1.87 0.00 0.02 -0.95 119.26 121.62 1mor h ALA 479 Ca -0.10 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1mor h ALA 479 Cb 1.82 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1mor h ALA 479 CO 0.18 0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 179.89 1mor h LEU 480 N 1.01 -0.18 -1.07 0.00 3.38 -1.11 -0.86 115.31 116.49 1mor h LEU 480 Ca 0.23 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1mor h LEU 480 Cb 0.27 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1mor h LEU 480 CO -0.01 -0.06 -0.16 -0.08 0.09 0.00 0.00 178.44 178.22 1mor h GLU 481 N 0.01 0.47 -0.20 1.13 4.57 -1.17 -1.73 114.58 117.66 1mor h GLU 481 Ca 0.10 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1mor h GLU 481 Cb 0.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1mor h GLU 481 CO -0.21 0.62 0.03 0.78 -1.18 0.00 0.00 179.01 179.05 1mor h GLY 482 N 0.95 0.37 1.04 1.92 0.00 -0.77 -0.00 103.07 106.57 1mor h GLY 482 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1mor h GLY 482 CO 0.03 0.23 0.24 0.00 0.00 0.00 0.00 176.54 177.05 1mor h ALA 483 N 0.82 0.94 -0.48 3.60 0.00 -1.07 -2.35 119.26 120.72 1mor h ALA 483 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mor h ALA 483 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1mor h ALA 483 CO 0.01 0.61 0.27 1.25 0.00 0.00 0.00 179.25 181.39 1mor h LEU 484 N 1.06 0.59 -0.84 0.00 5.85 -1.14 -1.47 115.31 119.36 1mor h LEU 484 Ca 0.23 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1mor h LEU 484 Cb 0.28 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1mor h LEU 484 CO -0.01 0.51 0.40 0.11 -0.34 0.00 0.00 178.44 179.10 1mor h LYS 485 N 0.64 1.22 -0.67 1.25 1.79 -0.76 -0.16 116.57 119.87 1mor h LYS 485 Ca 0.17 -0.19 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1mor h LYS 485 Cb 0.04 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 1mor h LYS 485 CO -0.03 0.94 0.15 -0.07 -1.08 0.00 0.00 179.45 179.36 1mor h LEU 486 N 1.21 1.01 0.23 2.94 3.38 -0.97 -2.32 115.31 120.80 1mor h LEU 486 Ca 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1mor h LEU 486 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1mor h LEU 486 CO -0.03 0.98 -0.11 0.11 0.09 0.00 0.00 178.44 179.48 1mor h LYS 487 N 1.01 -0.30 0.31 1.13 1.57 -0.88 -2.48 116.57 116.94 1mor h LYS 487 Ca 0.21 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1mor h LYS 487 Cb 0.37 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1mor h LYS 487 CO 0.00 -0.18 -0.20 0.93 -0.57 0.00 0.00 179.45 179.43 1mor h GLU 488 N -0.34 -0.48 0.00 3.15 5.08 -0.80 -2.75 114.58 118.44 1mor h GLU 488 Ca -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mor h GLU 488 Cb 0.26 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1mor h GLU 488 CO 0.05 -0.32 -0.66 0.44 -1.00 0.00 0.00 179.01 177.52 1mor n ILE 489 N -5.33 0.00 0.42 3.13 -5.35 -0.89 -4.54 119.36 106.79 1mor n ILE 489 Ca -0.09 -0.24 0.05 0.00 -0.27 0.00 0.00 62.75 62.19 1mor n ILE 489 Cb 0.24 0.90 -0.06 0.00 -1.74 0.00 0.00 39.64 38.99 1mor n ILE 489 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1mor n SER 490 N -1.35 0.67 -2.41 7.28 3.41 -0.98 -4.66 113.62 115.58 1mor n SER 490 Ca 0.02 -0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 57.76 1mor n SER 490 Cb 0.19 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1mor n SER 490 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1mor n TYR 491 N -1.29 -1.16 -3.54 7.33 4.01 -0.97 -4.98 117.16 116.56 1mor n TYR 491 Ca 0.01 0.12 -0.37 0.00 -0.16 0.00 0.00 57.90 57.50 1mor n TYR 491 Cb 0.16 -3.96 -0.06 0.00 -0.31 0.00 0.00 39.34 35.17 1mor n TYR 491 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mor s ILE 492 N -3.03 5.06 -1.29 -0.72 1.01 -1.16 -4.97 121.20 116.10 1mor s ILE 492 Ca 0.07 0.69 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 1mor s ILE 492 Cb -0.03 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1mor s ILE 492 CO 0.08 0.48 1.84 1.57 0.00 0.00 0.00 174.94 178.91 1mor n HIS 493 N 1.50 4.16 -3.40 3.97 -0.00 -1.05 -3.68 115.22 116.71 1mor n HIS 493 Ca -0.12 -2.62 -0.38 0.00 -0.00 0.00 0.00 57.72 54.60 1mor n HIS 493 Cb 0.52 -2.60 -0.06 0.00 -0.00 0.00 0.00 29.99 27.85 1mor n HIS 493 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mor s ALA 494 N 5.14 3.58 0.00 1.57 0.00 -1.26 -2.30 121.76 128.49 1mor s ALA 494 Ca 0.55 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1mor s ALA 494 Cb 0.05 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1mor s ALA 494 CO 0.07 0.22 -0.15 -2.00 0.00 0.00 0.00 175.76 173.90 1mor s GLU 495 N -0.15 1.13 0.06 0.00 2.12 -0.24 -4.75 118.70 116.88 1mor s GLU 495 Ca 0.24 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 55.00 1mor s GLU 495 Cb -0.16 -1.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1mor s GLU 495 CO 0.11 0.30 0.17 0.00 -0.54 0.00 0.00 175.26 175.30 1mor s ALA 496 N -0.45 3.89 -0.02 6.30 0.00 -1.26 -1.02 121.76 129.19 1mor s ALA 496 Ca 0.05 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 1mor s ALA 496 Cb -0.06 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1mor s ALA 496 CO -0.00 0.81 0.27 -0.47 0.00 0.00 0.00 175.76 176.37 1mor s TYR 497 N -1.47 -0.15 0.21 0.00 5.04 0.10 -4.90 117.35 116.19 1mor s TYR 497 Ca 0.33 0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 54.90 1mor s TYR 497 Cb -0.13 0.07 -0.09 0.00 0.35 0.00 0.00 41.96 42.16 1mor s TYR 497 CO 0.26 -0.34 1.33 0.00 -1.34 0.00 0.00 175.55 175.46 1mor s ALA 498 N -1.17 3.54 0.44 3.97 0.00 -1.26 -3.27 121.76 124.01 1mor s ALA 498 Ca -0.12 1.15 0.14 0.00 0.00 0.00 0.00 51.96 53.13 1mor s ALA 498 Cb -0.05 -3.49 1.05 0.00 0.00 0.00 0.00 23.12 20.62 1mor s ALA 498 CO 0.03 -0.58 2.01 0.00 0.00 0.00 0.00 175.76 177.22 1mor h ALA 499 N 5.22 2.00 0.00 0.00 0.00 -1.49 -0.42 119.26 124.57 1mor h ALA 499 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1mor h ALA 499 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1mor h ALA 499 CO 0.77 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1mor n GLY 500 N -1.52 -1.26 0.55 0.00 0.00 -1.26 -2.99 105.19 98.71 1mor n GLY 500 Ca 0.08 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1mor n GLY 500 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mor n GLU 501 N -1.88 1.50 -0.21 1.61 -0.58 -0.17 -4.43 120.64 116.49 1mor n GLU 501 Ca 0.04 -1.12 0.01 0.00 -0.42 0.00 0.00 57.16 55.67 1mor n GLU 501 Cb 0.25 -1.48 0.10 0.00 -0.57 0.00 0.00 31.44 29.74 1mor n GLU 501 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mor h LEU 502 N 2.72 -0.33 -1.43 -4.62 5.85 -1.60 0.41 115.31 116.31 1mor h LEU 502 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1mor h LEU 502 Cb 0.71 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1mor h LEU 502 CO 0.00 -0.13 0.00 0.50 -0.34 0.00 0.00 178.44 178.47 1mor h LYS 503 N 0.09 0.00 -0.10 1.25 1.63 -1.85 -2.35 116.57 115.24 1mor h LYS 503 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1mor h LYS 503 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1mor h LYS 503 CO -0.55 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.17 1mor n HIS 504 N -2.90 0.13 0.00 1.91 8.25 0.13 -4.82 115.22 117.92 1mor n HIS 504 Ca 0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1mor n HIS 504 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1mor n HIS 504 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mor n GLY 505 N 0.81 -2.10 0.33 -1.41 0.00 -1.19 -5.01 105.19 96.63 1mor n GLY 505 Ca 0.09 0.69 0.20 0.00 0.00 0.00 0.00 46.02 47.00 1mor n GLY 505 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mor h PRO 506 N 0.00 0.00 -0.45 1.61 0.11 -1.80 -2.54 132.00 128.94 1mor h PRO 506 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1mor h PRO 506 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1mor h PRO 506 CO 0.00 0.00 0.30 1.25 -0.21 0.00 0.00 178.00 179.34 1mor h LEU 507 N 0.00 0.40 -1.13 2.35 5.85 -1.74 -1.36 115.31 119.68 1mor h LEU 507 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1mor h LEU 507 Cb 0.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1mor h LEU 507 CO -0.00 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.38 1mor h ALA 508 N 1.74 1.00 0.00 1.25 0.00 -1.76 -3.03 119.26 118.47 1mor h ALA 508 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1mor h ALA 508 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1mor h ALA 508 CO -0.05 0.00 -1.46 -0.07 0.00 0.00 0.00 179.25 177.68 1mor h LEU 509 N 0.00 0.00 -9.57 0.00 3.38 -1.45 -3.48 115.31 104.18 1mor h LEU 509 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1mor h LEU 509 Cb 0.21 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.00 1mor h LEU 509 CO 0.00 0.67 1.04 -0.63 0.09 0.00 0.00 178.44 179.61 1mor s ILE 510 N -2.85 2.40 0.00 1.22 -1.09 -1.15 -4.89 121.20 114.84 1mor s ILE 510 Ca -0.03 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1mor s ILE 510 Cb 0.08 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1mor s ILE 510 CO 0.81 0.00 0.00 -0.90 -1.23 0.00 0.00 174.94 173.63 1mor n ASP 511 N 4.82 0.00 0.31 3.58 5.68 -1.26 -4.76 116.55 124.92 1mor n ASP 511 Ca 0.16 -0.86 0.19 0.00 -0.50 0.00 0.00 54.79 53.78 1mor n ASP 511 Cb 0.37 0.00 1.02 0.00 -1.14 0.00 0.00 41.12 41.37 1mor n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mor h ALA 512 N 1.71 1.21 -0.27 2.12 0.00 -1.31 -0.63 119.26 122.08 1mor h ALA 512 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mor h ALA 512 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mor h ALA 512 CO 0.00 0.02 0.00 -3.47 0.00 0.00 0.00 179.25 175.80 1mor n ASP 513 N -3.41 2.37 -3.55 0.00 2.03 -1.26 -4.53 116.55 108.21 1mor n ASP 513 Ca -0.03 -1.84 -0.27 0.00 0.52 0.00 0.00 54.79 53.17 1mor n ASP 513 Cb 0.11 -0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 40.23 1mor n ASP 513 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1mor s MET 514 N -1.65 1.34 0.48 -0.67 1.75 -0.24 -3.10 119.30 117.21 1mor s MET 514 Ca 0.34 -2.43 -0.24 0.00 -1.25 0.00 0.00 55.69 52.11 1mor s MET 514 Cb 0.19 -2.00 -0.07 0.00 2.84 0.00 0.00 34.83 35.79 1mor s MET 514 CO 0.28 -1.35 1.40 -1.25 -0.65 0.00 0.00 175.02 173.45 1mor s PRO 515 N -0.33 3.51 -0.19 4.11 0.04 -1.26 -4.38 135.00 136.50 1mor s PRO 515 Ca 0.30 2.35 -0.07 0.00 0.04 0.00 0.00 61.00 63.62 1mor s PRO 515 Cb -0.00 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1mor s PRO 515 CO -0.18 -0.93 0.05 0.08 0.04 0.00 0.00 177.00 176.06 1mor s VAL 516 N -1.24 4.50 -0.15 -0.36 1.01 -0.81 -1.60 120.40 121.75 1mor s VAL 516 Ca 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1mor s VAL 516 Cb -0.42 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1mor s VAL 516 CO 0.53 0.44 -0.06 -0.63 0.00 0.00 0.00 175.10 175.38 1mor s ILE 517 N 0.68 3.70 -0.12 2.22 1.01 0.07 -0.70 121.20 128.06 1mor s ILE 517 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1mor s ILE 517 Cb -0.13 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1mor s ILE 517 CO 0.02 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.67 1mor s VAL 518 N 0.31 3.28 -0.41 2.92 1.01 0.07 -0.72 120.40 126.86 1mor s VAL 518 Ca -0.05 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1mor s VAL 518 Cb -0.14 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1mor s VAL 518 CO 0.04 0.53 0.29 -0.69 0.00 0.00 0.00 175.10 175.27 1mor s VAL 519 N 0.18 5.14 -1.13 2.92 1.01 -0.71 -1.88 120.40 125.92 1mor s VAL 519 Ca -0.06 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1mor s VAL 519 Cb -0.15 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1mor s VAL 519 CO 0.04 -0.32 0.75 0.00 0.00 0.00 0.00 175.10 175.57 1mor n ALA 520 N 5.13 -2.59 -1.76 5.51 0.00 0.17 -4.69 120.51 122.29 1mor n ALA 520 Ca -0.11 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.68 1mor n ALA 520 Cb 0.47 -3.47 0.02 0.00 0.00 0.00 0.00 19.45 16.46 1mor n ALA 520 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mor s PRO 521 N -6.28 3.43 0.68 0.00 0.04 -1.26 -4.98 135.00 126.63 1mor s PRO 521 Ca 0.45 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 1mor s PRO 521 Cb -0.19 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.40 1mor s PRO 521 CO 0.89 -0.70 0.94 0.54 0.04 0.00 0.00 177.00 178.72 1mor s ASN 522 N -3.81 4.58 0.22 6.66 2.20 -1.26 -4.86 114.94 118.67 1mor s ASN 522 Ca 0.57 -0.27 -0.08 0.00 -0.94 0.00 0.00 52.86 52.13 1mor s ASN 522 Cb -0.12 -0.23 0.19 0.00 -2.00 0.00 0.00 41.25 39.10 1mor s ASN 522 CO 0.50 -1.69 1.88 -1.13 -2.94 0.00 0.00 177.10 173.72 1mor h ASN 523 N -0.38 1.01 -0.58 3.54 -1.24 -1.97 -1.17 115.58 114.78 1mor h ASN 523 Ca -0.38 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.53 1mor h ASN 523 Cb 1.28 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 40.05 1mor h ASN 523 CO 0.43 0.76 0.16 -0.08 -1.29 0.00 0.00 177.43 177.41 1mor h GLU 524 N 1.17 0.92 -0.13 6.67 4.22 -2.00 -1.16 114.58 124.28 1mor h GLU 524 Ca 0.31 -0.21 -0.02 0.00 0.08 0.00 0.00 59.36 59.51 1mor h GLU 524 Cb -0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1mor h GLU 524 CO -0.06 0.84 -0.01 1.25 -2.18 0.00 0.00 179.01 178.86 1mor h LEU 525 N 0.83 0.22 -1.00 1.64 5.85 -1.91 -2.86 115.31 118.09 1mor h LEU 525 Ca 0.18 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1mor h LEU 525 Cb 0.33 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1mor h LEU 525 CO -0.00 0.50 0.63 0.25 -0.34 0.00 0.00 178.44 179.48 1mor h LEU 526 N -0.05 0.97 -0.47 2.25 5.85 -1.10 -0.06 115.31 122.70 1mor h LEU 526 Ca 0.03 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1mor h LEU 526 Cb 0.38 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1mor h LEU 526 CO 0.01 0.57 0.28 -0.08 -0.34 0.00 0.00 178.44 178.88 1mor h GLU 527 N 1.07 0.55 -0.10 1.25 4.57 -1.11 0.97 114.58 121.78 1mor h GLU 527 Ca 0.46 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1mor h GLU 527 Cb 0.34 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1mor h GLU 527 CO -0.22 0.36 0.01 0.87 -1.18 0.00 0.00 179.01 178.85 1mor h LYS 528 N 0.57 0.16 -0.28 1.92 1.57 -0.91 -2.71 116.57 116.89 1mor h LYS 528 Ca 0.19 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1mor h LYS 528 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1mor h LYS 528 CO -0.08 0.38 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.08 1mor h LEU 529 N -0.08 0.40 -0.65 2.94 3.38 -0.80 -1.79 115.31 118.71 1mor h LEU 529 Ca 0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1mor h LEU 529 Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1mor h LEU 529 CO 0.00 0.49 0.13 0.50 0.09 0.00 0.00 178.44 179.66 1mor h LYS 530 N 0.42 1.06 -0.71 1.13 1.63 -0.74 -0.54 116.57 118.82 1mor h LYS 530 Ca 0.09 -0.27 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1mor h LYS 530 Cb 0.33 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1mor h LYS 530 CO 0.01 0.97 0.22 1.03 -3.45 0.00 0.00 179.45 178.23 1mor h SER 531 N 0.98 1.03 -0.28 4.20 0.87 -1.08 -1.56 113.55 117.71 1mor h SER 531 Ca 0.20 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1mor h SER 531 Cb 0.40 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1mor h SER 531 CO 0.01 0.96 -0.06 0.78 -0.53 0.00 0.00 176.83 177.98 1mor h ASN 532 N 1.06 0.54 0.34 6.23 2.35 -0.77 -2.75 115.58 122.57 1mor h ASN 532 Ca 0.23 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1mor h ASN 532 Cb 0.30 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1mor h ASN 532 CO -0.01 0.77 -0.16 -0.29 -1.65 0.00 0.00 177.43 176.10 1mor h ILE 533 N 0.29 0.74 -0.27 2.81 6.09 -0.98 -1.96 117.51 124.23 1mor h ILE 533 Ca 0.07 -0.63 -0.08 0.00 -1.37 0.00 0.00 64.86 62.85 1mor h ILE 533 Cb 0.54 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.20 1mor h ILE 533 CO 0.03 0.15 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.76 1mor h GLU 534 N 0.00 0.49 0.00 2.19 4.39 -0.98 -2.32 114.58 118.34 1mor h GLU 534 Ca -0.00 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1mor h GLU 534 Cb 0.37 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1mor h GLU 534 CO 0.02 0.65 -0.01 0.93 -1.16 0.00 0.00 179.01 179.43 1mor h GLU 535 N 0.44 0.00 -0.14 2.33 5.08 -1.24 -2.74 114.58 118.30 1mor h GLU 535 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1mor h GLU 535 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1mor h GLU 535 CO 0.04 0.01 0.00 1.33 -1.00 0.00 0.00 179.01 179.39 1mor n VAL 536 N -3.15 2.08 -0.30 3.13 0.24 -0.90 -4.70 118.33 114.73 1mor n VAL 536 Ca -0.02 -2.02 -0.04 0.00 -2.04 0.00 0.00 64.34 60.22 1mor n VAL 536 Cb 0.18 -0.23 0.07 0.00 -1.47 0.00 0.00 33.84 32.39 1mor n VAL 536 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1mor h ARG 537 N 1.00 1.11 -0.03 7.34 2.43 -1.22 -1.68 114.38 123.32 1mor h ARG 537 Ca 0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1mor h ARG 537 Cb 1.23 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1mor h ARG 537 CO 0.12 0.78 0.10 0.00 -1.51 0.00 0.00 179.97 179.46 1mor h ALA 538 N 1.26 1.29 -0.42 2.80 0.00 -1.84 0.17 119.26 122.53 1mor h ALA 538 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1mor h ALA 538 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mor h ALA 538 CO -0.05 -0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.62 1mor n ARG 539 N -3.30 2.51 -2.08 0.00 1.74 -0.74 -4.96 116.66 109.84 1mor n ARG 539 Ca -0.02 -2.29 -0.01 0.00 -0.77 0.00 0.00 57.85 54.76 1mor n ARG 539 Cb 0.17 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1mor n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mor n GLY 540 N 1.52 0.40 3.75 -0.13 0.00 0.59 -1.60 105.19 109.72 1mor n GLY 540 Ca 0.20 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1mor n GLY 540 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mor s GLY 541 N -2.97 2.78 -0.01 -0.02 0.00 -0.71 -3.39 107.32 103.00 1mor s GLY 541 Ca 0.00 1.00 0.07 0.00 0.00 0.00 0.00 44.72 45.80 1mor s GLY 541 CO 0.00 1.81 -0.24 1.20 0.00 0.00 0.00 173.10 175.88 1mor s GLN 542 N -0.73 1.89 -0.18 2.90 -1.52 -1.26 -4.72 119.66 116.05 1mor s GLN 542 Ca 0.51 -0.86 -0.03 0.00 -1.95 0.00 0.00 55.36 53.03 1mor s GLN 542 Cb -0.34 -1.84 -0.02 0.00 -0.22 0.00 0.00 33.01 30.59 1mor s GLN 542 CO 0.40 0.50 -0.05 -1.17 -0.25 0.00 0.00 175.29 174.72 1mor s LEU 543 N -0.60 3.04 -0.23 2.90 2.96 -0.05 -1.93 118.68 124.76 1mor s LEU 543 Ca 0.09 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1mor s LEU 543 Cb -0.09 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1mor s LEU 543 CO -0.01 0.10 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.80 1mor s TYR 544 N 0.79 3.01 -0.21 5.38 1.51 0.13 -0.93 117.35 127.02 1mor s TYR 544 Ca -0.02 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1mor s TYR 544 Cb -0.15 -2.15 -0.00 0.00 -0.11 0.00 0.00 41.96 39.55 1mor s TYR 544 CO 0.02 -0.50 -0.07 0.08 -1.11 0.00 0.00 175.55 173.96 1mor s VAL 545 N 1.52 3.11 -0.39 0.71 1.01 -0.41 -0.75 120.40 125.19 1mor s VAL 545 Ca 0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1mor s VAL 545 Cb -0.15 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1mor s VAL 545 CO -0.01 0.45 0.73 -0.36 0.00 0.00 0.00 175.10 175.91 1mor s PHE 546 N 1.43 3.09 0.05 5.22 0.40 -0.79 0.28 117.98 127.67 1mor s PHE 546 Ca 0.06 0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1mor s PHE 546 Cb -0.14 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 1mor s PHE 546 CO -0.05 -0.77 -0.04 0.00 0.70 0.00 0.00 175.22 175.06 1mor s ALA 547 N 3.02 0.55 0.12 5.36 0.00 -1.02 -0.65 121.76 129.13 1mor s ALA 547 Ca 0.28 -1.16 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1mor s ALA 547 Cb -0.13 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 1mor s ALA 547 CO 0.18 -0.32 1.39 0.34 0.00 0.00 0.00 175.76 177.34 1mor s ASP 548 N -2.77 6.83 0.38 0.00 -1.08 -1.26 -0.39 116.67 118.37 1mor s ASP 548 Ca 0.05 2.33 0.14 0.00 -0.52 0.00 0.00 52.55 54.55 1mor s ASP 548 Cb 0.05 -2.59 0.99 0.00 -1.46 0.00 0.00 42.92 39.91 1mor s ASP 548 CO -0.08 -0.65 1.80 0.06 0.52 0.00 0.00 175.17 176.82 1mor h GLN 549 N 6.77 0.50 0.00 4.34 3.07 -1.00 0.11 115.11 128.89 1mor h GLN 549 Ca -0.42 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1mor h GLN 549 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1mor h GLN 549 CO 0.86 0.33 0.00 -0.25 0.09 0.00 0.00 178.83 179.86 1mor n ASP 550 N -4.62 0.00 0.14 0.06 9.92 -1.26 -1.82 116.55 118.96 1mor n ASP 550 Ca 0.22 0.29 0.13 0.00 -0.53 0.00 0.00 54.79 54.90 1mor n ASP 550 Cb 0.72 -0.37 0.33 0.00 -0.64 0.00 0.00 41.12 41.15 1mor n ASP 550 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mor h ALA 551 N 2.40 0.98 -4.43 2.24 0.00 -1.16 -3.47 119.26 115.82 1mor h ALA 551 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1mor h ALA 551 Cb 0.12 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.01 1mor h ALA 551 CO 0.00 0.00 -0.49 0.41 0.00 0.00 0.00 179.25 179.17 1mor n GLY 552 N 1.25 -0.16 3.83 0.00 0.00 -0.76 -5.01 105.19 104.34 1mor n GLY 552 Ca 0.05 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1mor n GLY 552 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mor s PHE 553 N -3.21 3.42 -0.03 1.61 0.08 -1.26 -5.07 117.98 113.51 1mor s PHE 553 Ca 0.41 1.46 0.07 0.00 0.12 0.00 0.00 56.93 58.99 1mor s PHE 553 Cb -0.18 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 1mor s PHE 553 CO 0.51 0.05 -0.23 0.08 -0.10 0.00 0.00 175.22 175.52 1mor s VAL 554 N -1.97 1.87 0.59 -0.44 1.01 -1.26 -4.97 120.40 115.24 1mor s VAL 554 Ca 0.56 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1mor s VAL 554 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1mor s VAL 554 CO 0.17 0.53 1.26 -0.44 0.00 0.00 0.00 175.10 176.61 1mor s SER 555 N -0.39 5.07 0.00 3.32 0.01 -1.26 -4.84 113.70 115.61 1mor s SER 555 Ca 0.04 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.82 1mor s SER 555 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1mor s SER 555 CO 0.01 -1.68 0.00 -1.54 0.41 0.00 0.00 173.24 170.43 1mor n SER 556 N -1.53 1.78 0.00 2.44 3.41 0.55 -4.99 113.62 115.28 1mor n SER 556 Ca 0.13 -0.79 -0.18 0.00 -0.26 0.00 0.00 58.87 57.78 1mor n SER 556 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1mor n SER 556 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1mor h ASP 557 N 0.00 0.90 -0.31 4.04 2.03 -2.01 -3.28 116.42 117.79 1mor h ASP 557 Ca 0.00 -0.63 0.00 0.00 -0.73 0.00 0.00 57.03 55.67 1mor h ASP 557 Cb 0.00 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.23 1mor h ASP 557 CO 0.00 1.43 0.00 -0.46 -1.03 0.00 0.00 179.24 179.18 1mor n ASN 558 N -3.90 3.45 -3.84 4.15 2.04 -1.26 -4.87 115.26 111.03 1mor n ASN 558 Ca -0.08 -2.52 -0.29 0.00 -0.44 0.00 0.00 54.58 51.25 1mor n ASN 558 Cb 0.79 -0.40 -0.16 0.00 -2.53 0.00 0.00 39.78 37.48 1mor n ASN 558 CO 0.00 0.00 0.00 -0.32 -0.44 0.00 0.00 177.26 176.50 1mor s MET 559 N -1.93 1.17 -0.42 -3.83 1.75 -1.24 -0.87 119.30 113.93 1mor s MET 559 Ca 0.33 -0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 53.88 1mor s MET 559 Cb 0.24 -2.37 0.06 0.00 2.84 0.00 0.00 34.83 35.60 1mor s MET 559 CO 0.12 -0.65 0.27 -1.01 -0.65 0.00 0.00 175.02 173.11 1mor s HIS 560 N 1.59 3.29 -0.03 4.11 3.76 -0.10 -0.33 115.29 127.57 1mor s HIS 560 Ca -0.03 -1.22 -0.30 0.00 -0.15 0.00 0.00 55.06 53.37 1mor s HIS 560 Cb -0.18 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 1mor s HIS 560 CO -0.08 -0.78 1.07 0.42 -0.85 0.00 0.00 174.74 174.52 1mor s ILE 561 N 1.51 4.57 -0.56 0.60 -1.09 -1.26 -1.29 121.20 123.69 1mor s ILE 561 Ca 0.03 1.85 -0.04 0.00 -2.23 0.00 0.00 60.65 60.27 1mor s ILE 561 Cb -0.22 -4.19 0.15 0.00 -1.58 0.00 0.00 42.46 36.61 1mor s ILE 561 CO 0.05 0.08 0.37 -0.63 -1.23 0.00 0.00 174.94 173.57 1mor s ILE 562 N 1.55 3.67 0.25 2.92 1.09 0.14 -4.90 121.20 125.93 1mor s ILE 562 Ca 0.53 -2.61 -0.30 0.00 -1.10 0.00 0.00 60.65 57.18 1mor s ILE 562 Cb -0.22 -3.43 -0.09 0.00 -1.06 0.00 0.00 42.46 37.65 1mor s ILE 562 CO 0.24 -0.82 1.31 -1.61 -0.10 0.00 0.00 174.94 173.96 1mor s GLU 563 N 0.39 4.39 0.09 2.79 2.02 -1.26 -2.43 118.70 124.69 1mor s GLU 563 Ca 0.14 2.11 0.08 0.00 0.02 0.00 0.00 54.97 57.32 1mor s GLU 563 Cb -0.21 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 1mor s GLU 563 CO -0.04 -0.21 -0.20 -1.64 0.02 0.00 0.00 175.26 173.20 1mor s MET 564 N -0.80 1.10 0.54 1.61 -1.94 0.47 -4.91 119.30 115.37 1mor s MET 564 Ca 0.53 -1.11 -0.21 0.00 -1.71 0.00 0.00 55.69 53.19 1mor s MET 564 Cb -0.38 -1.31 -0.07 0.00 2.01 0.00 0.00 34.83 35.08 1mor s MET 564 CO 0.44 0.31 1.05 -2.30 -0.01 0.00 0.00 175.02 174.50 1mor n PRO 565 N 1.18 1.19 -2.14 2.03 -0.02 -1.26 -0.40 135.00 135.58 1mor n PRO 565 Ca -0.20 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 1mor n PRO 565 Cb 0.54 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1mor n PRO 565 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mor s HIS 566 N -1.41 2.67 0.05 6.00 5.65 -1.26 -4.71 115.29 122.29 1mor s HIS 566 Ca 0.71 1.50 -0.08 0.00 0.25 0.00 0.00 55.06 57.45 1mor s HIS 566 Cb -0.46 -3.46 -0.00 0.00 -1.18 0.00 0.00 32.58 27.48 1mor s HIS 566 CO 0.51 -1.87 0.15 0.54 -0.65 0.00 0.00 174.74 173.42 1mor s VAL 567 N -1.54 0.13 0.26 0.89 0.11 -1.26 -5.10 120.40 113.89 1mor s VAL 567 Ca 0.68 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 1mor s VAL 567 Cb -0.30 -1.02 -0.11 0.00 -1.53 0.00 0.00 36.38 33.41 1mor s VAL 567 CO 0.36 -0.59 1.57 -1.61 -3.33 0.00 0.00 175.10 171.50 1mor s GLU 568 N -2.91 4.16 0.26 1.54 8.01 -1.26 -4.90 118.70 123.60 1mor s GLU 568 Ca -0.02 2.50 -0.01 0.00 0.01 0.00 0.00 54.97 57.45 1mor s GLU 568 Cb 0.01 -3.06 0.55 0.00 -4.31 0.00 0.00 34.13 27.32 1mor s GLU 568 CO -0.06 -0.60 1.74 0.93 0.01 0.00 0.00 175.26 177.28 1mor h GLU 569 N 5.32 0.51 -0.08 1.61 5.08 -2.00 -2.75 114.58 122.27 1mor h GLU 569 Ca -0.46 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1mor h GLU 569 Cb 1.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1mor h GLU 569 CO 0.82 0.34 -0.07 -0.24 -1.00 0.00 0.00 179.01 178.86 1mor h VAL 570 N 0.53 1.10 -0.41 3.13 3.04 -1.94 -2.60 116.25 119.10 1mor h VAL 570 Ca 0.47 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1mor h VAL 570 Cb 0.73 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1mor h VAL 570 CO -0.41 0.14 0.00 2.30 -1.01 0.00 0.00 177.57 178.59 1mor n ILE 571 N -4.39 0.70 -0.21 3.17 -5.35 -1.06 -4.62 119.36 107.60 1mor n ILE 571 Ca -0.02 -0.85 0.01 0.00 -0.27 0.00 0.00 62.75 61.62 1mor n ILE 571 Cb 0.19 0.76 0.12 0.00 -1.74 0.00 0.00 39.64 38.97 1mor n ILE 571 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mor h ALA 572 N 3.43 0.82 -0.70 -1.28 0.00 -1.23 -1.26 119.26 119.04 1mor h ALA 572 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1mor h ALA 572 Cb 0.85 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1mor h ALA 572 CO 0.00 -0.19 0.46 -1.35 0.00 0.00 0.00 179.25 178.18 1mor h PRO 573 N 0.42 0.85 -0.24 0.00 0.11 -1.82 -1.19 132.00 130.13 1mor h PRO 573 Ca 0.32 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.20 1mor h PRO 573 Cb 0.40 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1mor h PRO 573 CO -0.32 0.56 -0.57 0.82 -0.21 0.00 0.00 178.00 178.28 1mor h ILE 574 N 0.87 1.29 -0.14 4.15 2.04 -1.59 -3.17 117.51 120.96 1mor h ILE 574 Ca 0.27 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1mor h ILE 574 Cb 0.02 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1mor h ILE 574 CO -0.07 0.57 0.02 0.15 0.00 0.00 0.00 178.15 178.82 1mor h PHE 575 N 0.56 0.26 0.00 1.37 3.57 -0.72 -3.03 116.94 118.95 1mor h PHE 575 Ca 0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1mor h PHE 575 Cb 1.16 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1mor h PHE 575 CO 0.06 0.43 0.00 0.66 -2.23 0.00 0.00 178.31 177.23 1mor n TYR 576 N -4.80 0.00 -0.02 0.41 4.01 -0.51 -2.54 117.16 113.70 1mor n TYR 576 Ca -0.05 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.52 1mor n TYR 576 Cb 0.18 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.74 1mor n TYR 576 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1mor h THR 577 N 0.00 1.29 -0.22 -0.72 2.02 -1.50 -3.35 112.91 110.42 1mor h THR 577 Ca 0.00 -1.94 0.05 0.00 0.77 0.00 0.00 66.41 65.29 1mor h THR 577 Cb 0.18 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 1mor h THR 577 CO 0.00 0.61 -0.09 0.58 0.37 0.00 0.00 175.52 176.99 1mor h VAL 578 N 0.48 0.69 -0.78 3.16 2.07 -1.62 -1.33 116.25 118.91 1mor h VAL 578 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1mor h VAL 578 Cb 1.37 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1mor h VAL 578 CO 0.15 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.80 1mor h PRO 579 N -0.06 0.74 -0.01 1.57 0.13 -1.76 -0.89 132.00 131.73 1mor h PRO 579 Ca 0.12 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 65.01 1mor h PRO 579 Cb 0.24 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 1mor h PRO 579 CO -0.26 0.49 -0.86 -0.07 -0.23 0.00 0.00 178.00 177.07 1mor h LEU 580 N 0.77 0.31 -0.39 1.56 3.38 -1.50 0.46 115.31 119.89 1mor h LEU 580 Ca 0.35 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1mor h LEU 580 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1mor h LEU 580 CO -0.13 1.03 0.05 1.56 0.09 0.00 0.00 178.44 181.04 1mor h GLN 581 N 0.14 0.66 -0.16 1.13 4.20 -0.75 -2.74 115.11 117.59 1mor h GLN 581 Ca -0.05 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 1mor h GLN 581 Cb 1.48 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1mor h GLN 581 CO 0.13 0.72 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.45 1mor h LEU 582 N 0.50 0.46 -0.15 1.46 3.38 -1.07 -1.98 115.31 117.90 1mor h LEU 582 Ca 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1mor h LEU 582 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1mor h LEU 582 CO 0.01 0.89 0.09 0.25 0.09 0.00 0.00 178.44 179.77 1mor h LEU 583 N 0.34 0.19 -0.68 1.67 5.85 -0.81 -1.06 115.31 120.81 1mor h LEU 583 Ca 0.01 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1mor h LEU 583 Cb 1.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1mor h LEU 583 CO 0.09 0.20 0.37 0.00 -0.34 0.00 0.00 178.44 178.75 1mor h ALA 584 N 1.00 0.87 -0.40 1.25 0.00 -1.41 -1.65 119.26 118.92 1mor h ALA 584 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mor h ALA 584 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mor h ALA 584 CO -0.01 0.39 0.23 -0.92 0.00 0.00 0.00 179.25 178.95 1mor h TYR 585 N 0.93 0.54 -0.16 0.00 3.20 -1.18 -1.21 116.97 119.10 1mor h TYR 585 Ca 0.24 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 1mor h TYR 585 Cb 0.05 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1mor h TYR 585 CO -0.00 0.40 -0.52 0.45 -1.64 0.00 0.00 178.16 176.84 1mor h HIS 586 N 0.53 0.54 -0.43 -3.82 3.86 -0.99 -0.94 115.15 113.89 1mor h HIS 586 Ca 0.14 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1mor h HIS 586 Cb 0.02 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1mor h HIS 586 CO -0.03 0.87 0.12 0.28 0.86 0.00 0.00 177.93 180.03 1mor h VAL 587 N 0.34 1.22 -0.92 2.45 2.07 -1.15 -1.49 116.25 118.78 1mor h VAL 587 Ca 0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1mor h VAL 587 Cb 1.03 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1mor h VAL 587 CO 0.09 0.27 0.52 0.00 0.02 0.00 0.00 177.57 178.47 1mor h ALA 588 N 0.98 1.19 -0.63 1.67 0.00 -0.95 -1.73 119.26 119.79 1mor h ALA 588 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1mor h ALA 588 Cb 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mor h ALA 588 CO -0.00 0.67 0.09 -0.07 0.00 0.00 0.00 179.25 179.93 1mor h LEU 589 N 1.28 0.99 -0.27 0.00 3.38 -0.95 0.24 115.31 119.98 1mor h LEU 589 Ca 0.33 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1mor h LEU 589 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1mor h LEU 589 CO -0.06 0.99 -0.01 0.40 0.09 0.00 0.00 178.44 179.86 1mor h ILE 590 N 0.97 1.26 0.00 1.22 2.04 -0.68 -2.97 117.51 119.35 1mor h ILE 590 Ca 0.19 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1mor h ILE 590 Cb 0.43 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1mor h ILE 590 CO 0.01 0.30 -0.18 0.11 0.00 0.00 0.00 178.15 178.39 1mor h LYS 591 N 0.27 0.00 -1.39 2.37 1.57 -1.24 -3.47 116.57 114.67 1mor h LYS 591 Ca 0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1mor h LYS 591 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1mor h LYS 591 CO 0.02 0.18 -0.13 0.41 -0.57 0.00 0.00 179.45 179.36 1mor n GLY 592 N 0.28 0.46 3.89 3.86 0.00 0.80 -5.04 105.19 109.44 1mor n GLY 592 Ca 0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1mor n GLY 592 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mor s THR 593 N -2.70 4.84 -1.04 2.61 -4.23 -0.87 -4.96 115.64 109.28 1mor s THR 593 Ca 0.07 0.44 -0.23 0.00 -1.18 0.00 0.00 61.69 60.79 1mor s THR 593 Cb -0.03 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 1mor s THR 593 CO 0.08 -0.92 1.75 -0.62 -0.54 0.00 0.00 174.62 174.37 1mor s ASP 594 N -4.05 5.82 0.14 3.99 -1.08 -1.26 -4.83 116.67 115.40 1mor s ASP 594 Ca 0.50 -1.33 -0.18 0.00 -0.52 0.00 0.00 52.55 51.01 1mor s ASP 594 Cb -0.10 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1mor s ASP 594 CO 0.47 -2.16 1.74 0.58 0.52 0.00 0.00 175.17 176.32 1mor h VAL 595 N 6.71 0.91 0.00 1.11 2.07 -1.92 -2.18 116.25 122.94 1mor h VAL 595 Ca 0.20 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1mor h VAL 595 Cb 0.98 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1mor h VAL 595 CO 1.32 0.03 -0.22 0.44 0.02 0.00 0.00 177.57 179.16 1mor h ASP 596 N 0.18 0.00 -2.08 0.57 3.32 -1.98 -3.37 116.42 113.05 1mor h ASP 596 Ca 0.12 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.60 1mor h ASP 596 Cb 0.10 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.26 1mor h ASP 596 CO -0.14 0.22 -1.07 0.00 -1.72 0.00 0.00 179.24 176.53 1mor n GLN 597 N -3.25 0.63 -1.77 3.56 6.02 -1.17 -2.24 117.38 119.16 1mor n GLN 597 Ca 0.01 -3.24 -0.37 0.00 -0.01 0.00 0.00 57.00 53.39 1mor n GLN 597 Cb 0.52 -1.33 0.06 0.00 1.02 0.00 0.00 30.24 30.50 1mor n GLN 597 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1mor s PRO 598 N -0.94 2.79 0.38 -1.09 0.04 -0.83 -4.76 135.00 130.59 1mor s PRO 598 Ca 0.35 2.11 -0.27 0.00 0.04 0.00 0.00 61.00 63.22 1mor s PRO 598 Cb 0.14 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1mor s PRO 598 CO -0.13 -1.43 1.44 2.89 0.04 0.00 0.00 177.00 179.81 1mor n ARG 599 N -1.57 2.48 -0.97 4.56 1.85 -1.26 -2.96 116.66 118.78 1mor n ARG 599 Ca 0.14 0.87 0.00 0.00 -1.00 0.00 0.00 57.85 57.86 1mor n ARG 599 Cb 0.47 -2.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.29 1mor n ARG 599 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mor n ASN 600 N 0.40 -4.73 -4.66 2.89 5.03 -1.26 -4.98 115.26 107.95 1mor n ASN 600 Ca 0.03 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.24 1mor n ASN 600 Cb 0.39 -2.54 -0.07 0.00 -1.02 0.00 0.00 39.78 36.53 1mor n ASN 600 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mor s LEU 601 N 0.00 3.24 0.08 3.41 1.02 -1.16 -5.14 118.68 120.13 1mor s LEU 601 Ca 0.00 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 53.58 1mor s LEU 601 Cb 0.00 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 1mor s LEU 601 CO 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 176.35 176.32 1mor s ALA 602 N -2.21 0.82 0.14 4.21 0.00 -1.26 -4.82 121.76 118.65 1mor s ALA 602 Ca 0.31 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1mor s ALA 602 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1mor s ALA 602 CO 0.20 -0.17 1.80 -0.22 0.00 0.00 0.00 175.76 177.36 1mor h LYS 603 N 3.47 0.44 -3.27 0.00 1.63 -1.94 -3.43 116.57 113.46 1mor h LYS 603 Ca -0.35 -0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.22 1mor h LYS 603 Cb 1.18 -0.10 -0.28 0.00 -0.60 0.00 0.00 32.23 32.43 1mor h LYS 603 CO 0.57 0.30 -0.53 -1.54 -3.45 0.00 0.00 179.45 174.80 1mor s SER 604 N -5.50 -0.18 -0.73 4.20 1.04 -1.26 -4.95 113.70 106.32 1mor s SER 604 Ca -0.13 0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 1mor s SER 604 Cb 0.10 0.33 0.15 0.00 0.10 0.00 0.00 66.02 66.70 1mor s SER 604 CO 0.71 -0.09 0.76 -0.69 0.98 0.00 0.00 173.24 174.92 1mor s VAL 605 N 0.40 5.16 -1.76 5.02 1.01 -1.26 -4.87 120.40 124.10 1mor s VAL 605 Ca -0.03 -1.72 0.27 0.00 0.00 0.00 0.00 61.98 60.50 1mor s VAL 605 Cb -0.04 -4.51 0.29 0.00 0.00 0.00 0.00 36.38 32.12 1mor s VAL 605 CO -0.02 -1.11 1.59 0.35 0.00 0.00 0.00 175.10 175.91 1mor n THR 606 N 4.92 0.00 -4.32 3.92 -2.24 -1.26 -1.23 114.28 114.06 1mor n THR 606 Ca 0.04 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1mor n THR 606 Cb 0.45 0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 1mor n THR 606 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mor s VAL 607 N -2.49 1.84 -1.87 2.28 -7.23 -1.26 -4.35 120.40 107.32 1mor s VAL 607 Ca 0.25 -1.76 0.15 0.00 -1.81 0.00 0.00 61.98 58.81 1mor s VAL 607 Cb 0.19 -1.75 0.12 0.00 0.56 0.00 0.00 36.38 35.50 1mor s VAL 607 CO 0.51 -0.17 0.97 -0.62 -0.31 0.00 0.00 175.10 175.49