#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihy n MET -1 N 0.00 0.00 -3.29 4.33 0.00 -1.26 -5.01 117.12 111.89 3ihy n MET -1 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 3ihy n MET -1 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 33.22 31.94 3ihy n MET -1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3ihy s SER 282 N -3.28 6.51 0.00 7.83 0.15 -1.26 -5.00 113.70 118.64 3ihy s SER 282 Ca 0.00 0.83 0.26 0.00 0.70 0.00 0.00 55.95 57.74 3ihy s SER 282 Cb 0.00 -2.19 0.66 0.00 -1.71 0.00 0.00 66.02 62.78 3ihy s SER 282 CO 0.00 -0.19 1.51 0.47 1.20 0.00 0.00 173.24 176.23 3ihy n ASP 283 N -0.75 1.50 -0.06 5.45 9.92 -1.26 -4.48 116.55 126.87 3ihy n ASP 283 Ca -0.00 -1.26 0.09 0.00 -0.53 0.00 0.00 54.79 53.09 3ihy n ASP 283 Cb 0.53 0.14 0.47 0.00 -0.64 0.00 0.00 41.12 41.63 3ihy n ASP 283 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3ihy h HIS 284 N 2.04 0.47 -0.20 1.24 3.86 -1.96 -3.18 115.15 117.43 3ihy h HIS 284 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3ihy h HIS 284 Cb 0.59 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3ihy h HIS 284 CO 0.00 0.25 0.00 -0.25 0.86 0.00 0.00 177.93 178.79 3ihy n ASP 285 N -4.47 2.48 -4.72 2.45 9.92 -1.26 -4.74 116.55 116.20 3ihy n ASP 285 Ca 0.08 -1.94 -0.42 0.00 -0.53 0.00 0.00 54.79 51.98 3ihy n ASP 285 Cb 0.26 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 3ihy n ASP 285 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ihy s LEU 286 N -0.96 4.37 -0.10 0.64 1.43 -1.20 -4.99 118.68 117.87 3ihy s LEU 286 Ca 0.14 2.72 0.03 0.00 -1.03 0.00 0.00 54.13 55.99 3ihy s LEU 286 Cb 0.07 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 3ihy s LEU 286 CO 0.10 -0.88 -0.20 -0.54 0.23 0.00 0.00 176.35 175.05 3ihy s LYS 287 N 1.08 3.01 0.46 1.70 1.02 -1.26 -4.49 119.74 121.26 3ihy s LYS 287 Ca 0.71 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.69 3ihy s LYS 287 Cb -0.46 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.38 3ihy s LYS 287 CO 0.32 0.26 0.98 -1.25 -0.92 0.00 0.00 175.35 174.74 3ihy s PRO 288 N 0.17 4.04 0.81 -1.68 0.05 -1.26 -5.09 135.00 132.05 3ihy s PRO 288 Ca -0.11 1.16 -0.14 0.00 0.05 0.00 0.00 61.00 61.96 3ihy s PRO 288 Cb -0.16 -2.15 0.20 0.00 0.05 0.00 0.00 34.50 32.44 3ihy s PRO 288 CO 0.06 -0.20 0.78 0.27 0.05 0.00 0.00 177.00 177.97 3ihy n ASN 289 N -0.90 -1.41 -0.11 6.66 0.23 -1.26 -4.79 115.26 113.68 3ihy n ASN 289 Ca 0.08 -1.03 -0.11 0.00 -0.53 0.00 0.00 54.58 52.98 3ihy n ASN 289 Cb 0.54 -0.69 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 3ihy n ASN 289 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ihy h ALA 290 N -2.38 0.45 -0.54 -2.53 0.00 -1.98 -0.33 119.26 111.95 3ihy h ALA 290 Ca -0.29 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3ihy h ALA 290 Cb 0.85 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ihy h ALA 290 CO 0.19 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 3ihy h ALA 291 N 0.81 0.91 0.00 0.00 0.00 -2.00 -1.36 119.26 117.61 3ihy h ALA 291 Ca 0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3ihy h ALA 291 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ihy h ALA 291 CO 0.03 0.64 -0.32 1.79 0.00 0.00 0.00 179.25 181.39 3ihy h THR 292 N 0.86 0.58 -0.45 0.00 1.35 -1.93 -2.36 112.91 110.96 3ihy h THR 292 Ca 0.15 -1.71 -0.07 0.00 -0.55 0.00 0.00 66.41 64.23 3ihy h THR 292 Cb 0.57 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.18 3ihy h THR 292 CO 0.03 0.31 0.00 0.03 -0.25 0.00 0.00 175.52 175.65 3ihy h ARG 293 N 0.00 0.79 0.15 4.72 3.08 -0.71 -2.06 114.38 120.35 3ihy h ARG 293 Ca -0.00 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3ihy h ARG 293 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3ihy h ARG 293 CO 0.04 0.85 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.28 3ihy h ASP 294 N 0.63 -0.17 -0.52 7.04 3.32 -1.16 -1.53 116.42 124.03 3ihy h ASP 294 Ca 0.13 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.16 3ihy h ASP 294 Cb 0.49 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 3ihy h ASP 294 CO 0.02 0.02 -0.20 1.56 -1.72 0.00 0.00 179.24 178.92 3ihy h GLN 295 N -0.36 -0.08 -0.26 3.56 1.08 -1.45 -1.09 115.11 116.51 3ihy h GLN 295 Ca -0.02 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3ihy h GLN 295 Cb 0.29 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 3ihy h GLN 295 CO 0.03 -0.05 0.08 -0.07 -0.95 0.00 0.00 178.83 177.87 3ihy h LEU 296 N -0.08 0.08 -1.61 1.46 3.38 -1.26 -2.10 115.31 115.18 3ihy h LEU 296 Ca 0.24 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3ihy h LEU 296 Cb 0.46 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ihy h LEU 296 CO -0.58 0.08 0.27 0.78 0.09 0.00 0.00 178.44 179.08 3ihy h ASN 297 N 0.20 0.45 0.66 -0.43 2.35 -0.32 0.19 115.58 118.67 3ihy h ASN 297 Ca 0.12 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3ihy h ASN 297 Cb 0.09 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.36 3ihy h ASN 297 CO -0.13 0.32 -0.32 0.40 -1.65 0.00 0.00 177.43 176.05 3ihy h ILE 298 N 0.53 0.00 -0.49 2.81 1.08 -0.82 -2.61 117.51 118.02 3ihy h ILE 298 Ca 0.15 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.70 3ihy h ILE 298 Cb -0.02 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.63 3ihy h ILE 298 CO -0.03 0.00 -0.30 0.40 -0.69 0.00 0.00 178.15 177.52 3ihy h ILE 299 N -0.91 0.24 -0.65 -0.67 2.04 -0.91 -1.23 117.51 115.42 3ihy h ILE 299 Ca -0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 3ihy h ILE 299 Cb 0.68 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3ihy h ILE 299 CO 0.15 0.00 0.44 0.58 0.00 0.00 0.00 178.15 179.32 3ihy h VAL 300 N -0.19 0.87 -0.53 1.67 2.07 -0.67 -0.87 116.25 118.59 3ihy h VAL 300 Ca 0.21 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 67.37 3ihy h VAL 300 Cb 0.53 0.41 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 3ihy h VAL 300 CO -0.59 0.08 0.28 -1.54 0.02 0.00 0.00 177.57 175.81 3ihy n SER 301 N -4.47 3.61 -4.84 0.57 3.41 -0.48 -4.82 113.62 106.60 3ihy n SER 301 Ca 0.11 -2.85 -0.32 0.00 -0.26 0.00 0.00 58.87 55.55 3ihy n SER 301 Cb 0.42 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 3ihy n SER 301 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3ihy s TYR 302 N -2.04 3.39 0.71 7.33 2.02 -0.34 -5.03 117.35 123.41 3ihy s TYR 302 Ca 0.34 1.47 -0.16 0.00 -0.37 0.00 0.00 57.07 58.35 3ihy s TYR 302 Cb 0.28 -2.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.10 3ihy s TYR 302 CO 0.08 -0.21 1.26 -2.14 -1.57 0.00 0.00 175.55 172.97 3ihy s PRO 303 N -3.61 2.16 0.35 -1.71 0.02 -1.26 -4.89 135.00 126.06 3ihy s PRO 303 Ca 0.59 1.96 0.10 0.00 0.02 0.00 0.00 61.00 63.67 3ihy s PRO 303 Cb -0.10 -1.81 0.86 0.00 0.02 0.00 0.00 34.50 33.48 3ihy s PRO 303 CO 0.23 -1.87 1.82 -1.00 -0.33 0.00 0.00 177.00 175.85 3ihy h PRO 304 N -0.05 0.62 -0.15 5.54 0.13 -1.93 -2.77 132.00 133.39 3ihy h PRO 304 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3ihy h PRO 304 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ihy h PRO 304 CO 0.50 0.41 0.00 0.25 -0.23 0.00 0.00 178.00 178.93 3ihy n THR 305 N -4.63 0.17 -1.96 1.56 -2.24 -1.26 -4.90 114.28 101.02 3ihy n THR 305 Ca 0.21 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3ihy n THR 305 Cb 0.59 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 70.12 3ihy n THR 305 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ihy s LYS 306 N -1.80 4.19 0.06 -0.78 2.20 -1.05 -4.98 119.74 117.58 3ihy s LYS 306 Ca 0.31 2.27 -0.30 0.00 -0.36 0.00 0.00 55.97 57.89 3ihy s LYS 306 Cb 0.21 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3ihy s LYS 306 CO 0.30 -0.81 0.97 -0.65 -0.36 0.00 0.00 175.35 174.79 3ihy s GLN 307 N 3.63 4.64 0.34 4.03 -1.52 -1.26 -4.97 119.66 124.54 3ihy s GLN 307 Ca 0.75 1.44 -0.25 0.00 -1.95 0.00 0.00 55.36 55.34 3ihy s GLN 307 Cb -0.36 -3.41 -0.10 0.00 -0.22 0.00 0.00 33.01 28.92 3ihy s GLN 307 CO 0.32 0.10 0.94 -0.51 -0.25 0.00 0.00 175.29 175.89 3ihy s LEU 308 N 0.45 4.28 0.95 2.90 1.43 -1.26 -5.04 118.68 122.39 3ihy s LEU 308 Ca 0.49 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 3ihy s LEU 308 Cb -0.22 -4.10 0.16 0.00 0.03 0.00 0.00 46.19 42.06 3ihy s LEU 308 CO 0.29 -0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.27 3ihy s THR 309 N -1.70 2.32 0.23 5.49 -4.23 -1.26 -4.80 115.64 111.69 3ihy s THR 309 Ca 0.52 0.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.25 3ihy s THR 309 Cb -0.17 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3ihy s THR 309 CO 0.22 -0.14 1.59 1.88 -0.54 0.00 0.00 174.62 177.64 3ihy h TYR 310 N -1.74 0.00 -0.20 3.99 0.05 -1.99 -1.00 116.97 116.08 3ihy h TYR 310 Ca -0.52 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.24 3ihy h TYR 310 Cb 1.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 3ihy h TYR 310 CO 0.35 0.62 0.06 1.49 -1.05 0.00 0.00 178.16 179.62 3ihy h GLU 311 N 0.00 0.31 -0.40 4.88 4.81 -2.00 -3.01 114.58 119.16 3ihy h GLU 311 Ca -0.01 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3ihy h GLU 311 Cb 1.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3ihy h GLU 311 CO 0.08 0.42 -0.16 0.93 -0.73 0.00 0.00 179.01 179.55 3ihy h GLU 312 N 0.14 0.81 -0.96 1.92 5.08 -1.83 -2.28 114.58 117.46 3ihy h GLU 312 Ca 0.06 -0.34 0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3ihy h GLU 312 Cb 0.24 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3ihy h GLU 312 CO -0.00 0.97 0.60 1.96 -1.00 0.00 0.00 179.01 181.54 3ihy h GLN 313 N 0.62 1.02 -0.60 2.33 4.20 -1.25 -0.76 115.11 120.68 3ihy h GLN 313 Ca 0.09 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3ihy h GLN 313 Cb 0.71 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3ihy h GLN 313 CO 0.05 0.68 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.44 3ihy h ASP 314 N 1.05 1.03 -0.24 1.46 5.19 -1.37 -2.14 116.42 121.40 3ihy h ASP 314 Ca 0.43 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3ihy h ASP 314 Cb 0.26 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 3ihy h ASP 314 CO -0.20 1.08 0.13 0.25 -3.12 0.00 0.00 179.24 177.37 3ihy h LEU 315 N 0.96 0.31 -0.44 1.55 5.85 -0.73 0.11 115.31 122.92 3ihy h LEU 315 Ca 0.17 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3ihy h LEU 315 Cb 0.56 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3ihy h LEU 315 CO 0.03 0.32 0.27 0.58 -0.34 0.00 0.00 178.44 179.30 3ihy h VAL 316 N 0.28 1.07 0.27 1.05 2.07 -1.15 -2.24 116.25 117.59 3ihy h VAL 316 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3ihy h VAL 316 Cb 0.08 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3ihy h VAL 316 CO -0.01 0.10 -0.13 -0.25 0.02 0.00 0.00 177.57 177.30 3ihy h TRP 317 N 0.55 -0.34 -0.93 1.57 2.91 -1.22 -1.92 115.95 116.58 3ihy h TRP 317 Ca 0.17 -0.01 0.26 0.00 1.13 0.00 0.00 58.89 60.44 3ihy h TRP 317 Cb -0.02 0.11 -0.14 0.00 -0.51 0.00 0.00 29.16 28.60 3ihy h TRP 317 CO -0.06 -0.06 0.38 -0.22 -1.03 0.00 0.00 178.44 177.44 3ihy h LYS 318 N -0.59 0.28 -0.51 2.65 3.64 -0.66 -1.16 116.57 120.22 3ihy h LYS 318 Ca -0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3ihy h LYS 318 Cb 0.43 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3ihy h LYS 318 CO 0.06 0.19 0.04 1.19 -2.27 0.00 0.00 179.45 178.65 3ihy n PHE 319 N -5.13 1.84 -0.31 1.91 3.72 -0.86 -4.73 117.46 113.91 3ihy n PHE 319 Ca 0.25 -0.85 0.18 0.00 -0.05 0.00 0.00 57.45 56.98 3ihy n PHE 319 Cb 0.77 -0.49 0.44 0.00 -0.94 0.00 0.00 39.48 39.26 3ihy n PHE 319 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3ihy h ARG 320 N 3.22 0.52 -0.26 -1.08 0.11 -0.38 -1.69 114.38 114.82 3ihy h ARG 320 Ca 0.04 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3ihy h ARG 320 Cb 1.90 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.85 3ihy h ARG 320 CO 0.46 0.34 -0.01 1.88 0.10 0.00 0.00 179.97 182.75 3ihy h TYR 321 N 0.53 0.52 -0.30 4.08 0.05 -1.84 -2.08 116.97 117.92 3ihy h TYR 321 Ca 0.55 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 59.30 3ihy h TYR 321 Cb 1.18 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.73 3ihy h TYR 321 CO -0.00 0.63 -0.05 -0.92 -1.05 0.00 0.00 178.16 176.77 3ihy h TYR 322 N 0.25 -0.10 0.00 4.88 3.20 -1.57 -1.78 116.97 121.85 3ihy h TYR 322 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ihy h TYR 322 Cb 0.43 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3ihy h TYR 322 CO 0.04 -0.10 0.00 1.28 -1.64 0.00 0.00 178.16 177.74 3ihy n LEU 323 N -5.22 0.00 0.00 2.82 4.32 -0.75 -3.43 117.00 114.75 3ihy n LEU 323 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 3ihy n LEU 323 Cb 0.17 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 3ihy n LEU 323 CO 0.21 -0.31 0.32 1.07 -1.22 0.00 0.00 177.39 177.46 3ihy n THR 324 N -1.46 0.57 -0.03 -5.08 5.66 -0.67 -2.31 114.28 110.96 3ihy n THR 324 Ca 0.03 0.14 -0.03 0.00 -3.05 0.00 0.00 64.05 61.14 3ihy n THR 324 Cb 0.11 -1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 67.69 3ihy n THR 324 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3ihy n ASN 325 N -1.14 3.41 -4.66 1.09 2.85 -1.22 -2.38 115.26 113.21 3ihy n ASN 325 Ca 0.00 -0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 3ihy n ASN 325 Cb 0.00 0.62 -0.04 0.00 1.24 0.00 0.00 39.78 41.60 3ihy n ASN 325 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3ihy s GLN 326 N -2.16 4.27 0.31 1.20 -0.21 -0.98 -4.77 119.66 117.33 3ihy s GLN 326 Ca -0.04 1.10 0.16 0.00 0.02 0.00 0.00 55.36 56.60 3ihy s GLN 326 Cb 0.02 -3.60 0.21 0.00 1.00 0.00 0.00 33.01 30.64 3ihy s GLN 326 CO 0.26 -0.43 1.51 1.05 -2.12 0.00 0.00 175.29 175.56 3ihy h GLU 327 N 7.43 0.00 0.00 2.91 9.09 -1.85 -2.73 114.58 129.43 3ihy h GLU 327 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 3ihy h GLU 327 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3ihy h GLU 327 CO 0.87 0.45 0.00 1.63 0.05 0.00 0.00 179.01 182.01 3ihy n LYS 328 N -3.26 0.12 0.21 1.06 4.76 -1.26 -2.97 118.16 116.81 3ihy n LYS 328 Ca 0.02 0.40 0.11 0.00 -2.87 0.00 0.00 58.31 55.97 3ihy n LYS 328 Cb 0.68 -1.75 0.15 0.00 -1.84 0.00 0.00 35.03 32.26 3ihy n LYS 328 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ihy h ALA 329 N 2.29 0.94 -0.89 7.82 0.00 -1.78 -3.39 119.26 124.26 3ihy h ALA 329 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ihy h ALA 329 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3ihy h ALA 329 CO 0.00 0.08 0.57 1.25 0.00 0.00 0.00 179.25 181.15 3ihy h LEU 330 N 0.00 0.94 -0.72 0.00 5.85 -1.69 -0.95 115.31 118.75 3ihy h LEU 330 Ca -0.00 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3ihy h LEU 330 Cb 1.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3ihy h LEU 330 CO 0.01 0.64 -0.44 0.71 -0.34 0.00 0.00 178.44 179.02 3ihy h THR 331 N 1.10 1.31 0.05 1.05 1.35 -1.82 -0.82 112.91 115.13 3ihy h THR 331 Ca 0.36 -1.62 -0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3ihy h THR 331 Cb 0.03 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3ihy h THR 331 CO -0.13 0.50 -0.02 0.11 -0.25 0.00 0.00 175.52 175.73 3ihy h LYS 332 N 0.37 -0.06 -0.48 4.72 1.79 -1.56 -0.89 116.57 120.45 3ihy h LYS 332 Ca 0.03 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.59 3ihy h LYS 332 Cb 0.92 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.50 3ihy h LYS 332 CO 0.08 0.08 -0.01 0.35 -1.08 0.00 0.00 179.45 178.88 3ihy h PHE 333 N -0.20 -0.04 0.00 -1.35 3.57 -1.07 -1.13 116.94 116.72 3ihy h PHE 333 Ca -0.01 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3ihy h PHE 333 Cb 0.17 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3ihy h PHE 333 CO -0.03 -0.11 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.51 3ihy h LEU 334 N 0.11 0.00 0.00 0.59 3.38 -1.04 -1.44 115.31 116.90 3ihy h LEU 334 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ihy h LEU 334 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ihy h LEU 334 CO -0.41 0.36 0.00 0.29 0.09 0.00 0.00 178.44 178.77 3ihy n LYS 335 N -3.98 0.31 -0.01 1.13 5.02 -0.35 -2.94 118.16 117.34 3ihy n LYS 335 Ca -0.02 0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.46 3ihy n LYS 335 Cb 0.41 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 3ihy n LYS 335 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ihy s VAL 337 N -3.20 3.75 -1.09 0.00 1.01 -1.15 -4.95 120.40 114.78 3ihy s VAL 337 Ca -0.04 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 3ihy s VAL 337 Cb 0.13 -3.74 0.27 0.00 0.00 0.00 0.00 36.38 33.04 3ihy s VAL 337 CO 0.79 0.05 1.10 0.59 0.00 0.00 0.00 175.10 177.63 3ihy n ASN 338 N 0.11 5.40 0.00 3.32 4.13 -1.26 -4.90 115.26 122.06 3ihy n ASN 338 Ca 0.04 -3.08 0.03 0.00 1.68 0.00 0.00 54.58 53.25 3ihy n ASN 338 Cb 0.49 -1.33 0.13 0.00 -1.54 0.00 0.00 39.78 37.54 3ihy n ASN 338 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3ihy n TRP 339 N 2.53 0.00 -1.84 3.10 7.02 -1.26 -0.96 117.44 126.03 3ihy n TRP 339 Ca 0.24 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.34 3ihy n TRP 339 Cb 0.38 -0.50 0.04 0.00 -2.42 0.00 0.00 31.31 28.82 3ihy n TRP 339 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3ihy n ASP 340 N -1.50 7.29 -3.39 -0.99 8.00 -1.26 -4.67 116.55 120.03 3ihy n ASP 340 Ca 0.02 -3.82 -0.17 0.00 0.71 0.00 0.00 54.79 51.53 3ihy n ASP 340 Cb 0.07 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.10 3ihy n ASP 340 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ihy s LEU 341 N -3.97 -0.22 0.41 0.64 0.20 -0.13 -5.02 118.68 110.59 3ihy s LEU 341 Ca 0.54 -0.89 0.23 0.00 0.69 0.00 0.00 54.13 54.71 3ihy s LEU 341 Cb 0.45 0.53 1.25 0.00 -0.43 0.00 0.00 46.19 47.99 3ihy s LEU 341 CO -0.30 -0.37 1.69 -0.65 -0.29 0.00 0.00 176.35 176.43 3ihy h PRO 342 N 8.06 0.24 -0.02 0.98 0.11 -1.85 -1.34 132.00 138.18 3ihy h PRO 342 Ca -0.10 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3ihy h PRO 342 Cb 1.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ihy h PRO 342 CO 0.31 0.16 -0.22 0.37 -0.21 0.00 0.00 178.00 178.41 3ihy h GLN 343 N 0.24 0.18 -0.15 1.05 5.75 -1.95 -2.27 115.11 117.96 3ihy h GLN 343 Ca 0.71 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 59.00 3ihy h GLN 343 Cb 2.01 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.60 3ihy h GLN 343 CO -0.38 0.87 -0.05 0.93 -2.65 0.00 0.00 178.83 177.55 3ihy h GLU 344 N -0.45 0.30 -0.86 1.69 5.08 -1.58 -2.80 114.58 115.96 3ihy h GLU 344 Ca -0.02 -0.12 0.19 0.00 -1.00 0.00 0.00 59.36 58.41 3ihy h GLU 344 Cb 0.93 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 3ihy h GLU 344 CO 0.04 0.60 0.36 0.00 -1.00 0.00 0.00 179.01 179.01 3ihy h ALA 345 N 0.70 1.31 -0.49 3.43 0.00 -1.42 0.75 119.26 123.55 3ihy h ALA 345 Ca 0.04 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ihy h ALA 345 Cb 0.49 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3ihy h ALA 345 CO 0.02 -0.29 0.22 -0.22 0.00 0.00 0.00 179.25 178.98 3ihy h LYS 346 N 0.42 0.42 0.04 0.00 3.11 -1.18 -2.58 116.57 116.80 3ihy h LYS 346 Ca 0.51 -0.03 -0.26 0.00 -2.81 0.00 0.00 60.65 58.07 3ihy h LYS 346 Cb 0.91 -0.10 0.02 0.00 -1.00 0.00 0.00 32.23 32.07 3ihy h LYS 346 CO -0.49 0.28 -1.04 1.96 -2.81 0.00 0.00 179.45 177.34 3ihy h GLN 347 N 0.44 0.64 -0.84 1.90 4.20 -0.87 -3.03 115.11 117.55 3ihy h GLN 347 Ca 0.22 -0.74 0.21 0.00 0.06 0.00 0.00 58.65 58.40 3ihy h GLN 347 Cb 0.16 0.22 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 3ihy h GLN 347 CO -0.18 1.32 0.23 0.00 -0.67 0.00 0.00 178.83 179.53 3ihy h ALA 348 N 0.35 1.18 -0.15 3.87 0.00 -0.83 -0.77 119.26 122.91 3ihy h ALA 348 Ca -0.14 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3ihy h ALA 348 Cb 1.71 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 3ihy h ALA 348 CO 0.20 -0.41 -0.64 -0.07 0.00 0.00 0.00 179.25 178.33 3ihy h LEU 349 N 0.25 0.63 0.28 0.00 3.38 -1.43 0.34 115.31 118.76 3ihy h LEU 349 Ca 0.51 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ihy h LEU 349 Cb 0.97 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3ihy h LEU 349 CO -0.60 1.11 -0.30 -0.33 0.09 0.00 0.00 178.44 178.41 3ihy h GLU 350 N 0.40 -0.59 -0.81 1.13 5.08 -1.32 -1.66 114.58 116.80 3ihy h GLU 350 Ca -0.01 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 3ihy h GLU 350 Cb 1.21 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 3ihy h GLU 350 CO 0.12 -0.40 0.38 -0.07 -1.00 0.00 0.00 179.01 178.05 3ihy h LEU 351 N -0.62 0.42 -0.81 1.33 3.38 -0.91 -1.30 115.31 116.80 3ihy h LEU 351 Ca -0.01 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3ihy h LEU 351 Cb 0.57 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 3ihy h LEU 351 CO -0.07 0.17 0.44 0.25 0.09 0.00 0.00 178.44 179.31 3ihy h LEU 352 N 0.54 0.58 -0.83 1.67 5.85 0.04 -0.09 115.31 123.08 3ihy h LEU 352 Ca 0.45 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 59.17 3ihy h LEU 352 Cb 0.66 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3ihy h LEU 352 CO -0.38 0.31 0.15 1.23 -0.34 0.00 0.00 178.44 179.40 3ihy h GLY 353 N 0.70 1.11 1.57 3.75 0.00 -0.31 -3.10 103.07 106.79 3ihy h GLY 353 Ca 0.41 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3ihy h GLY 353 CO -0.29 0.63 -0.28 0.50 0.00 0.00 0.00 176.54 177.10 3ihy h LYS 354 N 0.98 0.49 -7.07 4.80 1.79 -0.49 -3.48 116.57 113.60 3ihy h LYS 354 Ca 0.21 -0.20 -0.54 0.00 -2.18 0.00 0.00 60.65 57.94 3ihy h LYS 354 Cb 0.36 -0.02 0.13 0.00 -1.58 0.00 0.00 32.23 31.11 3ihy h LYS 354 CO 0.00 0.73 0.54 -0.46 -1.08 0.00 0.00 179.45 179.18 3ihy s TRP 355 N -4.44 2.33 0.14 -1.35 -0.11 -0.17 -4.91 118.94 110.43 3ihy s TRP 355 Ca -0.07 1.45 -0.33 0.00 1.22 0.00 0.00 56.10 58.37 3ihy s TRP 355 Cb 0.13 -3.65 -0.13 0.00 -1.50 0.00 0.00 33.47 28.32 3ihy s TRP 355 CO 0.80 -2.58 1.65 1.63 -4.62 0.00 0.00 176.95 173.83 3ihy n LYS 356 N -1.30 2.29 -2.17 5.86 5.02 -1.00 -4.88 118.16 121.97 3ihy n LYS 356 Ca 0.12 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 3ihy n LYS 356 Cb 0.47 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 3ihy n LYS 356 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3ihy s PRO 357 N 1.44 4.37 0.66 1.97 0.02 -1.26 -4.61 135.00 137.59 3ihy s PRO 357 Ca 0.80 2.12 -0.15 0.00 0.02 0.00 0.00 61.00 63.79 3ihy s PRO 357 Cb -0.64 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 30.72 3ihy s PRO 357 CO 0.39 -0.26 1.10 0.00 -0.33 0.00 0.00 177.00 177.89 3ihy s MET 358 N -0.44 2.86 0.86 5.54 0.23 -1.26 -4.90 119.30 122.19 3ihy s MET 358 Ca 0.56 1.33 -0.12 0.00 -1.03 0.00 0.00 55.69 56.43 3ihy s MET 358 Cb -0.38 -1.96 0.11 0.00 -1.53 0.00 0.00 34.83 31.07 3ihy s MET 358 CO 0.41 -1.20 1.18 -0.51 -2.03 0.00 0.00 175.02 172.87 3ihy s ASP 359 N -2.72 3.25 0.13 -1.18 1.01 -1.26 -4.88 116.67 111.02 3ihy s ASP 359 Ca 0.66 2.28 -0.20 0.00 0.71 0.00 0.00 52.55 55.99 3ihy s ASP 359 Cb -0.19 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3ihy s ASP 359 CO 0.42 -2.89 1.71 0.58 0.21 0.00 0.00 175.17 175.20 3ihy h VAL 360 N -1.40 0.81 0.00 -1.27 2.07 -1.95 -2.55 116.25 111.97 3ihy h VAL 360 Ca -0.45 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ihy h VAL 360 Cb 1.28 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ihy h VAL 360 CO 0.44 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 176.19 3ihy n GLU 361 N -5.19 0.76 0.15 1.57 0.00 -1.26 -2.29 120.64 114.38 3ihy n GLU 361 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.17 3ihy n GLU 361 Cb 0.12 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.17 3ihy n GLU 361 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3ihy h ASP 362 N 0.00 0.00 0.71 -1.84 3.32 -1.80 -3.35 116.42 113.46 3ihy h ASP 362 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3ihy h ASP 362 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3ihy h ASP 362 CO 0.00 0.50 -0.29 0.77 -1.72 0.00 0.00 179.24 178.50 3ihy h SER 363 N 0.00 0.00 -1.13 6.45 4.64 -1.48 -2.87 113.55 119.16 3ihy h SER 363 Ca -0.00 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.64 3ihy h SER 363 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 3ihy h SER 363 CO 0.06 0.29 0.71 -0.07 -0.87 0.00 0.00 176.83 176.96 3ihy h LEU 364 N 0.00 0.39 -0.72 5.97 3.38 -1.72 0.36 115.31 122.97 3ihy h LEU 364 Ca -0.00 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3ihy h LEU 364 Cb 0.73 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3ihy h LEU 364 CO 0.04 -0.03 0.32 -0.08 0.09 0.00 0.00 178.44 178.78 3ihy h GLU 365 N 0.28 0.50 0.00 1.13 4.81 -1.78 -2.71 114.58 116.81 3ihy h GLU 365 Ca 0.69 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 3ihy h GLU 365 Cb 1.88 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.15 3ihy h GLU 365 CO -0.38 0.33 0.00 1.28 -0.73 0.00 0.00 179.01 179.51 3ihy n LEU 366 N -4.93 0.00 -0.66 1.64 4.32 0.12 -2.36 117.00 115.12 3ihy n LEU 366 Ca 0.12 0.19 0.08 0.00 -0.02 0.00 0.00 56.01 56.38 3ihy n LEU 366 Cb 0.34 -0.19 0.09 0.00 -1.62 0.00 0.00 43.42 42.04 3ihy n LEU 366 CO 0.22 -0.07 0.53 0.18 -1.22 0.00 0.00 177.39 177.03 3ihy n LEU 367 N -1.19 2.48 -4.68 2.23 4.77 -1.02 -4.51 117.00 115.07 3ihy n LEU 367 Ca 0.11 -1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 54.57 3ihy n LEU 367 Cb 0.13 -0.07 0.21 0.00 -2.33 0.00 0.00 43.42 41.36 3ihy n LEU 367 CO 0.14 0.50 0.68 -0.94 -1.33 0.00 0.00 177.39 176.44 3ihy s SER 368 N -1.20 1.75 0.55 -1.43 1.04 -1.00 -4.81 113.70 108.59 3ihy s SER 368 Ca 0.21 0.65 0.30 0.00 0.48 0.00 0.00 55.95 57.58 3ihy s SER 368 Cb 0.13 -0.93 1.60 0.00 0.10 0.00 0.00 66.02 66.92 3ihy s SER 368 CO 0.19 -3.62 2.12 0.77 0.98 0.00 0.00 173.24 173.69 3ihy h SER 369 N -2.23 0.00 0.17 7.02 4.64 -1.89 -2.96 113.55 118.30 3ihy h SER 369 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ihy h SER 369 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ihy h SER 369 CO 0.40 0.08 0.00 0.45 -0.87 0.00 0.00 176.83 176.89 3ihy h HIS 370 N 0.00 0.00 -3.21 4.77 3.86 -1.92 -3.41 115.15 115.24 3ihy h HIS 370 Ca -0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 3ihy h HIS 370 Cb 0.27 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.39 3ihy h HIS 370 CO 0.00 0.00 -0.85 0.71 0.86 0.00 0.00 177.93 178.65 3ihy s TYR 371 N -3.63 2.29 -0.43 2.45 2.02 -1.12 -4.98 117.35 113.96 3ihy s TYR 371 Ca -0.02 -1.16 0.09 0.00 -0.37 0.00 0.00 57.07 55.61 3ihy s TYR 371 Cb 0.08 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.92 3ihy s TYR 371 CO 0.28 -0.58 0.39 0.25 -1.57 0.00 0.00 175.55 174.33 3ihy n THR 372 N 4.27 0.00 -1.63 -0.71 -2.24 -1.26 -4.89 114.28 107.82 3ihy n THR 372 Ca -0.19 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.89 3ihy n THR 372 Cb 0.51 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 3ihy n THR 372 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ihy n ASN 373 N -1.25 3.76 -0.21 3.42 2.85 -1.26 -4.88 115.26 117.68 3ihy n ASN 373 Ca 0.02 0.59 0.01 0.00 -0.11 0.00 0.00 54.58 55.08 3ihy n ASN 373 Cb 0.15 -1.54 0.09 0.00 1.24 0.00 0.00 39.78 39.73 3ihy n ASN 373 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ihy h PRO 374 N 12.59 0.06 -0.48 1.20 0.11 -2.00 -0.68 132.00 142.80 3ihy h PRO 374 Ca -0.46 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3ihy h PRO 374 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3ihy h PRO 374 CO 0.95 0.04 0.22 1.15 -0.21 0.00 0.00 178.00 180.15 3ihy h THR 375 N 0.06 1.17 -0.10 -1.15 2.02 -2.00 -1.96 112.91 110.96 3ihy h THR 375 Ca 0.33 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3ihy h THR 375 Cb 0.53 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3ihy h THR 375 CO -0.60 0.19 -0.09 0.58 0.37 0.00 0.00 175.52 175.98 3ihy h VAL 376 N 0.67 1.35 -0.33 3.16 2.07 -1.53 -1.35 116.25 120.29 3ihy h VAL 376 Ca 0.17 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3ihy h VAL 376 Cb 0.09 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3ihy h VAL 376 CO -0.02 0.34 0.03 0.03 0.02 0.00 0.00 177.57 177.97 3ihy h ARG 377 N -0.16 0.50 -0.52 1.57 3.08 -1.03 -1.39 114.38 116.43 3ihy h ARG 377 Ca 0.02 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3ihy h ARG 377 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3ihy h ARG 377 CO 0.02 0.50 -0.11 0.00 -1.07 0.00 0.00 179.97 179.32 3ihy h ARG 378 N 0.48 0.96 -0.98 0.04 3.08 -1.28 -2.38 114.38 114.31 3ihy h ARG 378 Ca 0.11 -0.35 0.07 0.00 0.07 0.00 0.00 59.98 59.88 3ihy h ARG 378 Cb 0.27 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3ihy h ARG 378 CO 0.00 1.01 0.63 -0.92 -1.07 0.00 0.00 179.97 179.63 3ihy h TYR 379 N 0.86 1.16 -0.39 3.04 3.20 -0.18 -1.26 116.97 123.41 3ihy h TYR 379 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ihy h TYR 379 Cb 0.66 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3ihy h TYR 379 CO 0.04 0.59 0.25 0.00 -1.64 0.00 0.00 178.16 177.40 3ihy h ALA 380 N 1.45 0.49 -0.13 1.82 0.00 -0.90 -0.87 119.26 121.12 3ihy h ALA 380 Ca 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ihy h ALA 380 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ihy h ALA 380 CO -0.18 -0.04 0.06 0.28 0.00 0.00 0.00 179.25 179.38 3ihy h VAL 381 N 0.52 1.12 -0.93 0.00 2.07 -0.89 0.20 116.25 118.34 3ihy h VAL 381 Ca 0.14 -0.36 0.27 0.00 0.82 0.00 0.00 66.70 67.57 3ihy h VAL 381 Cb -0.04 1.13 -0.16 0.00 -1.52 0.00 0.00 31.29 30.70 3ihy h VAL 381 CO -0.03 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.89 3ihy h ALA 382 N 0.93 1.36 -0.07 1.67 0.00 -1.04 0.38 119.26 122.49 3ihy h ALA 382 Ca 0.04 0.26 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 3ihy h ALA 382 Cb 0.13 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ihy h ALA 382 CO -0.01 -0.56 -0.71 0.00 0.00 0.00 0.00 179.25 177.97 3ihy h ARG 383 N 0.13 0.36 -0.28 0.00 2.47 0.18 -3.18 114.38 114.07 3ihy h ARG 383 Ca 0.60 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.99 3ihy h ARG 383 Cb 1.29 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 3ihy h ARG 383 CO -0.74 0.93 -0.03 -0.07 0.56 0.00 0.00 179.97 180.61 3ihy h LEU 384 N 0.25 0.40 -2.60 3.04 3.38 0.26 -2.41 115.31 117.62 3ihy h LEU 384 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ihy h LEU 384 Cb 1.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ihy h LEU 384 CO 0.12 0.49 0.10 0.03 0.09 0.00 0.00 178.44 179.27 3ihy h ARG 385 N 0.41 0.00 0.00 1.13 3.08 -0.49 -0.32 114.38 118.19 3ihy h ARG 385 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3ihy h ARG 385 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3ihy h ARG 385 CO 0.01 0.00 -0.22 1.96 -1.07 0.00 0.00 179.97 180.65 3ihy h GLN 386 N 0.00 0.00 -6.94 0.04 1.08 -1.56 -3.46 115.11 104.27 3ihy h GLN 386 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 3ihy h GLN 386 Cb 0.20 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.71 3ihy h GLN 386 CO 0.00 0.22 0.59 0.00 -0.95 0.00 0.00 178.83 178.69 3ihy s ALA 387 N -3.29 3.25 0.82 3.87 0.00 -0.13 -5.03 121.76 121.25 3ihy s ALA 387 Ca 0.04 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3ihy s ALA 387 Cb 0.08 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.84 3ihy s ALA 387 CO 0.67 -0.75 1.17 0.16 0.00 0.00 0.00 175.76 177.01 3ihy s ASP 388 N -0.81 4.19 0.33 0.00 1.47 -1.26 -4.84 116.67 115.74 3ihy s ASP 388 Ca 0.56 0.49 0.03 0.00 1.18 0.00 0.00 52.55 54.82 3ihy s ASP 388 Cb -0.37 -0.89 0.57 0.00 -0.34 0.00 0.00 42.92 41.90 3ihy s ASP 388 CO 0.47 -2.06 1.87 0.44 0.68 0.00 0.00 175.17 176.57 3ihy h ASP 389 N -1.08 0.53 -0.05 2.11 3.32 -1.98 -1.49 116.42 117.79 3ihy h ASP 389 Ca -0.45 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 3ihy h ASP 389 Cb 1.30 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ihy h ASP 389 CO 0.55 0.59 0.00 -0.08 -1.72 0.00 0.00 179.24 178.59 3ihy h GLU 390 N 0.55 0.08 -0.48 3.56 4.81 -2.00 -1.49 114.58 119.61 3ihy h GLU 390 Ca 0.12 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3ihy h GLU 390 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3ihy h GLU 390 CO 0.01 0.33 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.18 3ihy h ASP 391 N -0.19 0.77 -0.13 1.04 3.32 -1.91 -2.94 116.42 116.38 3ihy h ASP 391 Ca 0.01 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3ihy h ASP 391 Cb 0.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3ihy h ASP 391 CO 0.00 0.84 -0.00 0.25 -1.72 0.00 0.00 179.24 178.61 3ihy h LEU 392 N 0.75 0.32 -1.26 1.55 5.85 -1.11 -1.91 115.31 119.50 3ihy h LEU 392 Ca 0.15 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3ihy h LEU 392 Cb 0.46 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3ihy h LEU 392 CO 0.02 0.39 -0.36 0.25 -0.34 0.00 0.00 178.44 178.40 3ihy h LEU 393 N 0.35 0.00 -0.43 2.25 5.85 -1.09 -1.88 115.31 120.36 3ihy h LEU 393 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ihy h LEU 393 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ihy h LEU 393 CO 0.01 0.36 -0.00 0.24 -0.34 0.00 0.00 178.44 178.70 3ihy h MET 394 N 0.00 0.00 -0.01 1.25 2.86 -1.32 -3.08 114.93 114.63 3ihy h MET 394 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ihy h MET 394 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3ihy h MET 394 CO 0.05 0.00 -0.21 0.66 1.06 0.00 0.00 176.91 178.47 3ihy n TYR 395 N -3.10 0.00 -0.15 -0.22 4.01 -1.09 -4.74 117.16 111.87 3ihy n TYR 395 Ca 0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.69 3ihy n TYR 395 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3ihy n TYR 395 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3ihy h LEU 396 N 2.09 0.56 -0.79 7.72 5.85 -1.25 -0.58 115.31 128.91 3ihy h LEU 396 Ca 0.00 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.76 3ihy h LEU 396 Cb 0.55 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 3ihy h LEU 396 CO 0.00 0.50 0.37 0.25 -0.34 0.00 0.00 178.44 179.22 3ihy h LEU 397 N 0.59 0.42 -0.08 2.25 5.85 -1.85 0.38 115.31 122.87 3ihy h LEU 397 Ca 0.16 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 3ihy h LEU 397 Cb 0.06 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ihy h LEU 397 CO -0.02 0.18 -0.51 1.56 -0.34 0.00 0.00 178.44 179.31 3ihy h GLN 398 N 0.55 0.49 -0.96 1.25 7.50 -1.80 -2.90 115.11 119.25 3ihy h GLN 398 Ca 0.43 -0.42 0.08 0.00 0.50 0.00 0.00 58.65 59.24 3ihy h GLN 398 Cb 0.60 0.09 -0.07 0.00 0.05 0.00 0.00 27.48 28.16 3ihy h GLN 398 CO -0.36 1.05 0.62 -0.07 -1.50 0.00 0.00 178.83 178.57 3ihy h LEU 399 N 0.07 0.94 -0.97 1.46 3.38 -0.60 0.39 115.31 119.99 3ihy h LEU 399 Ca -0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 399 Cb 1.17 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3ihy h LEU 399 CO 0.10 0.57 0.64 0.58 0.09 0.00 0.00 178.44 180.42 3ihy h VAL 400 N 1.05 1.22 -0.59 1.22 2.07 -0.15 -1.47 116.25 119.60 3ihy h VAL 400 Ca 0.43 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3ihy h VAL 400 Cb 0.29 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3ihy h VAL 400 CO -0.18 0.23 0.14 1.56 0.02 0.00 0.00 177.57 179.33 3ihy h GLN 401 N 1.28 0.94 -0.65 1.57 1.08 -1.00 -3.01 115.11 115.33 3ihy h GLN 401 Ca 0.37 -0.23 0.19 0.00 -1.45 0.00 0.00 58.65 57.52 3ihy h GLN 401 Cb -0.09 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 3ihy h GLN 401 CO -0.10 0.88 0.53 0.00 -0.95 0.00 0.00 178.83 179.19 3ihy h ALA 402 N 1.03 2.52 -0.18 3.87 0.00 0.80 -2.05 119.26 125.24 3ihy h ALA 402 Ca 0.18 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3ihy h ALA 402 Cb 0.36 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ihy h ALA 402 CO 0.00 -0.87 0.33 -0.07 0.00 0.00 0.00 179.25 178.64 3ihy h LEU 403 N 0.00 0.00 -2.26 0.00 3.38 -1.33 -1.63 115.31 113.47 3ihy h LEU 403 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ihy h LEU 403 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3ihy h LEU 403 CO -0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 3ihy h LYS 404 N 0.00 0.00 -0.50 1.13 1.57 -1.60 -2.04 116.57 115.14 3ihy h LYS 404 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ihy h LYS 404 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3ihy h LYS 404 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3ihy n TYR 405 N -2.85 0.66 -2.69 -1.35 4.01 -0.61 -4.98 117.16 109.36 3ihy n TYR 405 Ca -0.02 -0.47 -0.22 0.00 -0.16 0.00 0.00 57.90 57.03 3ihy n TYR 405 Cb 0.11 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.20 3ihy n TYR 405 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ihy s GLU 406 N -1.02 2.14 -0.43 -0.72 0.41 -0.77 -4.93 118.70 113.38 3ihy s GLU 406 Ca 0.34 -1.07 -0.26 0.00 -0.41 0.00 0.00 54.97 53.57 3ihy s GLU 406 Cb 0.18 -2.45 0.02 0.00 -1.78 0.00 0.00 34.13 30.10 3ihy s GLU 406 CO 0.24 -1.04 0.95 1.21 -0.49 0.00 0.00 175.26 176.13 3ihy s ASN 407 N -4.59 6.58 0.08 -0.19 3.84 -1.26 -4.94 114.94 114.46 3ihy s ASN 407 Ca 0.62 0.34 -0.27 0.00 0.21 0.00 0.00 52.86 53.75 3ihy s ASN 407 Cb -0.07 -2.47 -0.17 0.00 -0.55 0.00 0.00 41.25 37.99 3ihy s ASN 407 CO 0.41 -1.00 1.66 -0.26 -2.79 0.00 0.00 177.10 175.11 3ihy h PHE 408 N 8.86 -0.37 -0.85 0.43 -1.00 -1.95 -1.87 116.94 120.20 3ihy h PHE 408 Ca -0.24 -0.01 0.21 0.00 2.81 0.00 0.00 57.97 60.75 3ihy h PHE 408 Cb 1.07 0.12 -0.15 0.00 3.61 0.00 0.00 35.95 40.61 3ihy h PHE 408 CO 0.87 -0.21 0.07 -0.44 -1.61 0.00 0.00 178.31 176.99 3ihy h ASP 409 N -0.42 -0.29 0.42 2.17 5.19 -1.99 -1.86 116.42 119.63 3ihy h ASP 409 Ca -0.04 0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3ihy h ASP 409 Cb 0.32 0.36 0.00 0.00 0.18 0.00 0.00 39.33 40.20 3ihy h ASP 409 CO 0.07 -0.21 -0.20 0.44 -3.12 0.00 0.00 179.24 176.21 3ihy h ASP 410 N 0.11 -0.47 -0.76 6.45 3.32 -1.87 0.87 116.42 124.07 3ihy h ASP 410 Ca 0.49 -0.09 0.13 0.00 0.02 0.00 0.00 57.03 57.59 3ihy h ASP 410 Cb 0.95 0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 3ihy h ASP 410 CO -0.73 -0.17 -0.31 0.40 -1.72 0.00 0.00 179.24 176.71 3ihy h ILE 411 N -0.79 0.13 -0.57 0.35 2.04 -0.83 -1.30 117.51 116.53 3ihy h ILE 411 Ca -0.06 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3ihy h ILE 411 Cb 0.54 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ihy h ILE 411 CO 0.09 0.00 -0.07 0.50 0.00 0.00 0.00 178.15 178.67 3ihy h LYS 412 N -0.07 1.06 0.00 2.37 3.64 -1.25 -3.05 116.57 119.26 3ihy h LYS 412 Ca 0.31 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3ihy h LYS 412 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3ihy h LYS 412 CO -0.81 1.07 0.00 0.09 -2.27 0.00 0.00 179.45 177.53 3ihy n ASN 413 N -4.15 0.00 -0.08 4.20 3.02 0.29 0.49 115.26 119.02 3ihy n ASN 413 Ca 0.02 0.43 0.07 0.00 -0.03 0.00 0.00 54.58 55.08 3ihy n ASN 413 Cb 0.39 -0.46 0.39 0.00 -0.61 0.00 0.00 39.78 39.49 3ihy n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihy n GLY 414 N -0.25 -0.80 4.30 7.41 0.00 -1.02 -5.07 105.19 109.75 3ihy n GLY 414 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ihy n GLY 414 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ihy n LEU 415 N -0.56 0.00 -4.46 0.99 7.94 0.18 -4.99 117.00 116.10 3ihy n LEU 415 Ca 0.11 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.60 3ihy n LEU 415 Cb 0.09 -0.01 -0.11 0.00 0.53 0.00 0.00 43.42 43.93 3ihy n LEU 415 CO 0.08 0.00 -0.12 -1.58 -1.11 0.00 0.00 177.39 174.66 3ihy s GLN 473 N 0.00 3.15 0.60 1.96 0.74 -1.26 -4.53 119.66 120.33 3ihy s GLN 473 Ca 0.00 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.52 3ihy s GLN 473 Cb 0.00 -3.83 0.04 0.00 1.10 0.00 0.00 33.01 30.32 3ihy s GLN 473 CO 0.00 -0.60 0.85 0.16 -0.55 0.00 0.00 175.29 175.15 3ihy s ASP 474 N 1.66 5.14 0.21 6.67 -4.77 -1.26 -4.77 116.67 119.55 3ihy s ASP 474 Ca 0.05 0.14 -0.09 0.00 -3.30 0.00 0.00 52.55 49.35 3ihy s ASP 474 Cb -0.18 -0.96 0.29 0.00 -1.09 0.00 0.00 42.92 40.98 3ihy s ASP 474 CO 0.09 -1.28 1.75 0.25 0.70 0.00 0.00 175.17 176.68 3ihy h LEU 475 N -0.14 0.28 0.62 2.11 5.85 -1.98 -0.53 115.31 121.52 3ihy h LEU 475 Ca -0.43 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3ihy h LEU 475 Cb 1.30 0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.38 3ihy h LEU 475 CO 0.55 0.16 -0.30 0.00 -0.34 0.00 0.00 178.44 178.51 3ihy h THR 477 N -0.87 0.72 -0.10 0.00 2.02 -1.89 -1.56 112.91 111.23 3ihy h THR 477 Ca -0.09 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.02 3ihy h THR 477 Cb 0.65 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3ihy h THR 477 CO 0.14 0.05 -0.06 0.15 0.37 0.00 0.00 175.52 176.17 3ihy h PHE 478 N 0.30 -0.15 -0.14 3.16 3.57 -0.78 0.15 116.94 123.04 3ihy h PHE 478 Ca 0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3ihy h PHE 478 Cb 0.39 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3ihy h PHE 478 CO -0.21 -0.10 0.07 -0.07 -2.23 0.00 0.00 178.31 175.76 3ihy h LEU 479 N -0.06 0.19 0.17 0.59 3.38 -0.46 -1.59 115.31 117.52 3ihy h LEU 479 Ca 0.06 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ihy h LEU 479 Cb 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ihy h LEU 479 CO -0.14 0.27 -0.25 0.40 0.09 0.00 0.00 178.44 178.81 3ihy h ILE 480 N 0.10 0.46 -0.54 1.22 2.04 -1.18 -0.41 117.51 119.19 3ihy h ILE 480 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3ihy h ILE 480 Cb 0.13 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 3ihy h ILE 480 CO -0.01 0.00 -0.24 -1.28 0.00 0.00 0.00 178.15 176.62 3ihy h SER 481 N -0.48 -0.85 -0.19 1.72 0.87 -0.46 0.51 113.55 114.66 3ihy h SER 481 Ca 0.02 0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3ihy h SER 481 Cb 0.48 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 3ihy h SER 481 CO -0.11 -0.26 -0.01 0.03 -0.53 0.00 0.00 176.83 175.95 3ihy h ARG 482 N -0.11 0.47 -0.70 2.24 2.47 -1.05 -2.60 114.38 115.09 3ihy h ARG 482 Ca 0.25 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3ihy h ARG 482 Cb 0.50 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 3ihy h ARG 482 CO -0.61 0.51 0.39 0.00 0.56 0.00 0.00 179.97 180.82 3ihy h ALA 483 N 1.54 1.37 0.00 0.04 0.00 0.82 -2.20 119.26 120.83 3ihy h ALA 483 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ihy h ALA 483 Cb 0.32 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ihy h ALA 483 CO 0.01 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.72 3ihy n LYS 485 N -3.58 2.33 -3.44 0.00 5.02 -0.85 -4.87 118.16 112.77 3ihy n LYS 485 Ca -0.02 -2.11 -0.09 0.00 -2.02 0.00 0.00 58.31 54.06 3ihy n LYS 485 Cb 0.18 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 3ihy n LYS 485 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ihy s ASN 486 N -1.55 0.16 0.23 4.39 3.84 -0.93 -5.05 114.94 116.04 3ihy s ASN 486 Ca 0.33 0.41 -0.07 0.00 0.21 0.00 0.00 52.86 53.75 3ihy s ASN 486 Cb 0.21 1.13 0.20 0.00 -0.55 0.00 0.00 41.25 42.23 3ihy s ASN 486 CO 0.29 -0.28 1.83 0.77 -2.79 0.00 0.00 177.10 176.92 3ihy h SER 487 N 8.19 1.11 0.10 -4.21 4.64 -1.90 0.73 113.55 122.22 3ihy h SER 487 Ca -0.18 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3ihy h SER 487 Cb 1.14 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ihy h SER 487 CO 0.23 0.93 -0.05 0.74 -0.87 0.00 0.00 176.83 177.82 3ihy h THR 488 N 1.22 0.95 -0.62 2.95 2.02 -1.96 -1.07 112.91 116.40 3ihy h THR 488 Ca 0.29 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3ihy h THR 488 Cb 0.11 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3ihy h THR 488 CO -0.04 0.05 0.38 -0.07 0.37 0.00 0.00 175.52 176.21 3ihy h LEU 489 N -0.22 0.61 -1.16 2.58 3.38 -1.82 -1.76 115.31 116.92 3ihy h LEU 489 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 489 Cb 0.18 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3ihy h LEU 489 CO 0.02 0.43 0.57 0.00 0.09 0.00 0.00 178.44 179.55 3ihy h ALA 490 N 1.27 1.44 0.64 1.53 0.00 -0.65 0.15 119.26 123.65 3ihy h ALA 490 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ihy h ALA 490 Cb 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ihy h ALA 490 CO -0.11 0.48 -0.31 -0.97 0.00 0.00 0.00 179.25 178.35 3ihy h ASN 491 N 1.10 -0.72 -0.35 0.00 -1.24 -0.35 -0.78 115.58 113.24 3ihy h ASN 491 Ca 0.34 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.28 3ihy h ASN 491 Cb -0.01 0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3ihy h ASN 491 CO -0.10 -0.41 0.04 1.88 -1.29 0.00 0.00 177.43 177.56 3ihy h TYR 492 N -1.03 0.71 -0.80 0.67 0.05 -1.27 -0.84 116.97 114.46 3ihy h TYR 492 Ca -0.09 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3ihy h TYR 492 Cb 0.70 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 3ihy h TYR 492 CO -0.00 0.65 0.52 1.25 -1.05 0.00 0.00 178.16 179.52 3ihy h LEU 493 N 0.65 0.93 0.87 3.88 5.85 -0.63 -0.45 115.31 126.41 3ihy h LEU 493 Ca 0.14 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ihy h LEU 493 Cb 0.35 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3ihy h LEU 493 CO 0.01 0.68 -0.42 0.22 -0.34 0.00 0.00 178.44 178.59 3ihy h TYR 494 N 1.09 -1.09 -0.74 1.25 5.03 -0.35 -2.13 116.97 120.03 3ihy h TYR 494 Ca 0.29 -0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.60 3ihy h TYR 494 Cb -0.11 0.36 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 3ihy h TYR 494 CO -0.01 -0.67 0.47 -1.49 -1.32 0.00 0.00 178.16 175.14 3ihy h TRP 495 N -1.28 0.88 -0.67 -3.82 4.06 -0.95 0.37 115.95 114.54 3ihy h TRP 495 Ca -0.12 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.88 3ihy h TRP 495 Cb 0.90 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.73 3ihy h TRP 495 CO -0.00 0.52 0.42 1.88 -3.56 0.00 0.00 178.44 177.70 3ihy h TYR 496 N 0.93 0.79 -0.29 0.49 0.05 -1.10 -1.27 116.97 116.57 3ihy h TYR 496 Ca 0.29 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.97 3ihy h TYR 496 Cb -0.02 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 3ihy h TYR 496 CO -0.03 0.46 -0.30 0.28 -1.05 0.00 0.00 178.16 177.52 3ihy h VAL 497 N 0.83 1.30 -0.85 -2.88 2.07 -0.90 -2.86 116.25 112.96 3ihy h VAL 497 Ca 0.26 -1.47 0.19 0.00 0.82 0.00 0.00 66.70 66.50 3ihy h VAL 497 Cb -0.01 1.58 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 3ihy h VAL 497 CO -0.09 0.47 0.37 0.40 0.02 0.00 0.00 177.57 178.74 3ihy h ILE 498 N 0.46 0.55 -0.24 4.57 1.08 -0.54 -0.47 117.51 122.93 3ihy h ILE 498 Ca 0.04 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 3ihy h ILE 498 Cb 0.88 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3ihy h ILE 498 CO 0.07 0.08 0.02 0.58 -0.69 0.00 0.00 178.15 178.22 3ihy h VAL 499 N 0.44 1.24 0.00 1.67 2.07 -1.13 -1.61 116.25 118.94 3ihy h VAL 499 Ca 0.50 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3ihy h VAL 499 Cb 0.88 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3ihy h VAL 499 CO -0.48 0.26 -0.12 -0.33 0.02 0.00 0.00 177.57 176.93 3ihy h GLU 500 N 0.19 0.00 -0.02 1.57 4.39 -1.23 -2.44 114.58 117.04 3ihy h GLU 500 Ca 0.07 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 3ihy h GLU 500 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3ihy h GLU 500 CO 0.01 0.12 -0.76 0.00 -1.16 0.00 0.00 179.01 177.21 3ihy n GLU 502 N -3.72 1.87 -2.25 0.00 1.02 -0.65 -4.85 120.64 112.06 3ihy n GLU 502 Ca -0.02 -1.31 -0.40 0.00 -0.02 0.00 0.00 57.16 55.41 3ihy n GLU 502 Cb 0.73 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 3ihy n GLU 502 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ihy s ASP 503 N -1.60 5.76 0.49 1.62 -1.08 -0.96 -4.77 116.67 116.14 3ihy s ASP 503 Ca 0.33 0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.89 3ihy s ASP 503 Cb 0.19 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 3ihy s ASP 503 CO 0.28 -2.01 1.93 1.56 0.52 0.00 0.00 175.17 177.45 3ihy h GLN 504 N 12.60 0.00 -0.11 4.34 4.20 -1.91 -1.19 115.11 133.04 3ihy h GLN 504 Ca -0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3ihy h GLN 504 Cb 1.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3ihy h GLN 504 CO 1.20 0.15 0.04 0.22 -0.67 0.00 0.00 178.83 179.77 3ihy h ASP 505 N 0.00 0.16 -0.11 1.46 3.58 -1.99 -1.66 116.42 117.86 3ihy h ASP 505 Ca -0.00 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 3ihy h ASP 505 Cb 0.58 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 3ihy h ASP 505 CO 0.02 0.31 0.02 0.74 -2.88 0.00 0.00 179.24 177.45 3ihy h THR 506 N 0.00 1.22 -0.95 2.25 2.02 -1.80 0.11 112.91 115.76 3ihy h THR 506 Ca 0.04 -0.69 0.14 0.00 0.77 0.00 0.00 66.41 66.66 3ihy h THR 506 Cb 0.21 1.47 -0.15 0.00 -1.74 0.00 0.00 68.15 67.94 3ihy h THR 506 CO -0.00 0.20 -0.42 1.56 0.37 0.00 0.00 175.52 177.23 3ihy h GLN 507 N -0.05 -0.02 0.02 6.66 4.20 -1.25 0.07 115.11 124.74 3ihy h GLN 507 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3ihy h GLN 507 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3ihy h GLN 507 CO 0.00 -0.01 -0.16 1.96 -0.67 0.00 0.00 178.83 179.95 3ihy h GLN 508 N -0.02 0.07 0.00 1.46 4.20 -0.90 -3.28 115.11 116.64 3ihy h GLN 508 Ca 0.30 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3ihy h GLN 508 Cb 0.56 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3ihy h GLN 508 CO -0.95 0.99 0.00 0.54 -0.67 0.00 0.00 178.83 178.74 3ihy n ARG 509 N -4.54 0.25 -2.72 1.46 1.74 0.34 -4.60 116.66 108.60 3ihy n ARG 509 Ca -0.10 0.28 -0.07 0.00 -0.77 0.00 0.00 57.85 57.19 3ihy n ARG 509 Cb 0.52 -1.84 0.09 0.00 -1.02 0.00 0.00 32.46 30.21 3ihy n ARG 509 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ihy n ASP 510 N -2.28 -2.16 -0.28 0.55 -0.08 0.01 -5.04 116.55 107.26 3ihy n ASP 510 Ca 0.04 -3.17 0.06 0.00 -1.51 0.00 0.00 54.79 50.22 3ihy n ASP 510 Cb 0.37 1.70 0.28 0.00 2.34 0.00 0.00 41.12 45.81 3ihy n ASP 510 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ihy h PRO 511 N 3.02 0.90 -0.44 -0.67 0.11 -1.61 -2.22 132.00 131.08 3ihy h PRO 511 Ca -0.16 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.92 3ihy h PRO 511 Cb 1.12 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3ihy h PRO 511 CO 0.12 0.59 0.29 0.87 -0.21 0.00 0.00 178.00 179.67 3ihy h LYS 512 N 0.92 0.52 -0.02 1.05 1.57 -1.91 0.14 116.57 118.85 3ihy h LYS 512 Ca 0.40 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.02 3ihy h LYS 512 Cb 0.33 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3ihy h LYS 512 CO -0.16 0.35 -0.46 1.15 -0.57 0.00 0.00 179.45 179.75 3ihy h THR 513 N 0.54 1.45 -0.60 -0.16 2.02 -1.75 -1.84 112.91 112.58 3ihy h THR 513 Ca 0.17 -1.98 0.08 0.00 0.77 0.00 0.00 66.41 65.45 3ihy h THR 513 Cb 0.03 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 3ihy h THR 513 CO -0.04 0.57 0.24 -0.74 0.37 0.00 0.00 175.52 175.92 3ihy h HIS 514 N -0.20 0.43 -0.46 3.16 -0.00 -1.24 -0.96 115.15 115.88 3ihy h HIS 514 Ca -0.05 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 3ihy h HIS 514 Cb 1.18 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.45 3ihy h HIS 514 CO 0.15 0.13 0.27 0.93 -0.00 0.00 0.00 177.93 179.41 3ihy h GLU 515 N 0.44 0.52 -0.19 5.26 5.08 -0.63 -1.87 114.58 123.18 3ihy h GLU 515 Ca 0.29 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3ihy h GLU 515 Cb 0.33 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3ihy h GLU 515 CO -0.28 0.34 -0.16 1.98 -1.00 0.00 0.00 179.01 179.89 3ihy h MET 516 N 0.53 -0.17 -0.15 2.33 4.05 -0.75 0.16 114.93 120.94 3ihy h MET 516 Ca 0.19 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.64 3ihy h MET 516 Cb 0.03 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3ihy h MET 516 CO -0.09 -0.11 0.02 1.88 0.23 0.00 0.00 176.91 178.84 3ihy h TYR 517 N -0.17 0.04 -0.82 1.39 0.05 -0.77 0.49 116.97 117.17 3ihy h TYR 517 Ca 0.12 0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.09 3ihy h TYR 517 Cb 0.35 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.98 3ihy h TYR 517 CO -0.30 0.01 0.28 -0.07 -1.05 0.00 0.00 178.16 177.03 3ihy h LEU 518 N 0.08 0.17 -0.42 3.88 3.38 -1.04 0.11 115.31 121.47 3ihy h LEU 518 Ca 0.07 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3ihy h LEU 518 Cb 0.06 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ihy h LEU 518 CO -0.09 -0.01 0.20 0.78 0.09 0.00 0.00 178.44 179.41 3ihy h ASN 519 N 0.34 0.55 -0.50 -0.43 2.35 0.19 -1.05 115.58 117.02 3ihy h ASN 519 Ca 0.48 -0.13 0.09 0.00 -0.55 0.00 0.00 56.30 56.20 3ihy h ASN 519 Cb 0.86 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 39.02 3ihy h ASN 519 CO -0.52 0.52 0.07 0.58 -1.65 0.00 0.00 177.43 176.43 3ihy h VAL 520 N 0.54 0.68 -0.54 2.81 2.07 0.13 0.19 116.25 122.13 3ihy h VAL 520 Ca 0.14 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3ihy h VAL 520 Cb 0.12 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3ihy h VAL 520 CO -0.02 0.04 0.30 -0.03 0.02 0.00 0.00 177.57 177.88 3ihy h MET 521 N 0.20 0.58 -0.67 1.57 1.85 -0.67 -0.40 114.93 117.39 3ihy h MET 521 Ca 0.25 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.23 3ihy h MET 521 Cb 0.36 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 3ihy h MET 521 CO -0.36 0.38 0.10 0.00 -0.40 0.00 0.00 176.91 176.64 3ihy h ARG 522 N 0.59 1.11 -0.80 0.39 3.08 0.11 -2.62 114.38 116.24 3ihy h ARG 522 Ca 0.23 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3ihy h ARG 522 Cb 0.08 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3ihy h ARG 522 CO -0.13 1.02 0.52 0.00 -1.07 0.00 0.00 179.97 180.31 3ihy h ARG 523 N 1.03 1.02 -0.44 0.04 2.47 -0.01 -0.47 114.38 118.02 3ihy h ARG 523 Ca 0.20 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3ihy h ARG 523 Cb 0.45 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 3ihy h ARG 523 CO 0.01 0.67 0.28 0.35 0.56 0.00 0.00 179.97 181.85 3ihy h PHE 524 N 1.05 0.56 -0.31 3.04 3.57 -0.78 -1.78 116.94 122.28 3ihy h PHE 524 Ca 0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3ihy h PHE 524 Cb -0.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3ihy h PHE 524 CO -0.02 0.36 0.11 1.03 -2.23 0.00 0.00 178.31 177.57 3ihy h SER 525 N 0.59 0.44 -0.74 0.41 0.87 -1.14 -1.98 113.55 112.00 3ihy h SER 525 Ca 0.16 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3ihy h SER 525 Cb -0.05 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 3ihy h SER 525 CO -0.03 0.50 0.48 -0.61 -0.53 0.00 0.00 176.83 176.63 3ihy h GLN 526 N 0.35 0.92 -0.36 2.24 4.15 -0.88 -0.84 115.11 120.69 3ihy h GLN 526 Ca 0.10 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 3ihy h GLN 526 Cb 0.21 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3ihy h GLN 526 CO -0.01 0.61 -0.24 0.00 -1.93 0.00 0.00 178.83 177.26 3ihy h ALA 527 N 1.30 0.91 -0.12 3.38 0.00 -1.25 -2.66 119.26 120.82 3ihy h ALA 527 Ca 0.29 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ihy h ALA 527 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ihy h ALA 527 CO -0.09 0.62 -0.46 1.25 0.00 0.00 0.00 179.25 180.57 3ihy h LEU 528 N 0.63 0.60 -1.18 0.00 5.85 -0.99 -3.01 115.31 117.20 3ihy h LEU 528 Ca 0.09 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3ihy h LEU 528 Cb 0.73 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3ihy h LEU 528 CO 0.06 1.12 0.57 -0.07 -0.34 0.00 0.00 178.44 179.78 3ihy h LEU 529 N 0.12 0.88 -0.35 2.25 -0.00 -1.17 -1.90 115.31 115.14 3ihy h LEU 529 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3ihy h LEU 529 Cb 1.09 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 3ihy h LEU 529 CO 0.10 0.58 0.00 1.17 -0.00 0.00 0.00 178.44 180.28 3ihy n LYS 530 N -4.48 0.14 0.00 1.13 4.81 -1.00 -4.78 118.16 113.98 3ihy n LYS 530 Ca 0.13 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3ihy n LYS 530 Cb 0.18 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3ihy n LYS 530 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ihy n GLY 531 N 0.32 -0.94 0.55 3.14 0.00 -0.71 -5.09 105.19 102.46 3ihy n GLY 531 Ca 0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 3ihy n GLY 531 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ihy n ASP 532 N -0.99 0.16 0.05 1.61 5.68 -1.26 -4.78 116.55 117.01 3ihy n ASP 532 Ca 0.00 -1.14 -0.11 0.00 -0.50 0.00 0.00 54.79 53.03 3ihy n ASP 532 Cb 0.00 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 39.82 3ihy n ASP 532 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3ihy h LYS 533 N 0.00 -0.12 -0.46 0.11 1.63 -1.96 0.23 116.57 116.00 3ihy h LYS 533 Ca -0.05 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 3ihy h LYS 533 Cb 0.17 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3ihy h LYS 533 CO 0.05 -0.08 0.11 0.66 -3.45 0.00 0.00 179.45 176.74 3ihy h SER 534 N -0.13 0.70 -0.78 4.20 4.64 -1.99 0.11 113.55 120.29 3ihy h SER 534 Ca 0.03 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3ihy h SER 534 Cb 0.17 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3ihy h SER 534 CO -0.08 0.75 0.51 0.58 -0.87 0.00 0.00 176.83 177.71 3ihy h VAL 535 N 0.62 1.17 -0.55 0.95 2.07 -1.90 -1.93 116.25 116.69 3ihy h VAL 535 Ca 0.14 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ihy h VAL 535 Cb 0.32 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3ihy h VAL 535 CO 0.00 0.19 0.16 0.03 0.02 0.00 0.00 177.57 177.97 3ihy h ARG 536 N 1.02 0.82 -0.11 1.57 3.08 0.23 -2.25 114.38 118.74 3ihy h ARG 536 Ca 0.29 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3ihy h ARG 536 Cb -0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3ihy h ARG 536 CO -0.08 0.72 0.05 0.28 -1.07 0.00 0.00 179.97 179.87 3ihy h VAL 537 N 0.80 1.13 -0.70 2.04 2.07 -0.35 -2.12 116.25 119.11 3ihy h VAL 537 Ca 0.18 -0.37 0.15 0.00 0.82 0.00 0.00 66.70 67.48 3ihy h VAL 537 Cb 0.25 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 3ihy h VAL 537 CO -0.01 0.11 0.16 -0.03 0.02 0.00 0.00 177.57 177.82 3ihy h MET 538 N 0.04 0.25 -0.02 1.57 1.85 -1.30 0.28 114.93 117.60 3ihy h MET 538 Ca 0.04 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.15 3ihy h MET 538 Cb 0.14 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.05 3ihy h MET 538 CO -0.00 0.17 -0.38 -0.09 -0.40 0.00 0.00 176.91 176.20 3ihy h ARG 539 N 0.26 -0.51 -0.48 0.39 2.43 -0.97 -2.60 114.38 112.91 3ihy h ARG 539 Ca 0.39 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3ihy h ARG 539 Cb 0.65 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3ihy h ARG 539 CO -0.49 -0.34 0.25 0.66 -1.51 0.00 0.00 179.97 178.54 3ihy h SER 540 N -0.53 0.58 0.08 -3.80 4.64 -0.58 -0.72 113.55 113.22 3ihy h SER 540 Ca 0.06 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ihy h SER 540 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ihy h SER 540 CO -0.31 0.48 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.03 3ihy h LEU 541 N 0.66 0.00 -0.37 5.97 3.38 -0.71 0.20 115.31 124.44 3ihy h LEU 541 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 541 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ihy h LEU 541 CO -0.03 0.02 -0.46 -0.07 0.09 0.00 0.00 178.44 178.00 3ihy h LEU 542 N 0.00 0.97 -0.60 1.67 3.38 -0.75 -2.10 115.31 117.88 3ihy h LEU 542 Ca -0.00 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 3ihy h LEU 542 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ihy h LEU 542 CO 0.00 1.28 -0.06 0.00 0.09 0.00 0.00 178.44 179.75 3ihy h ALA 543 N 0.76 0.81 0.67 1.53 0.00 -0.93 -1.92 119.26 120.17 3ihy h ALA 543 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ihy h ALA 543 Cb 1.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ihy h ALA 543 CO 0.11 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.55 3ihy h ALA 544 N 0.98 -1.22 -0.97 0.00 0.00 -0.68 -2.12 119.26 115.24 3ihy h ALA 544 Ca 0.15 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3ihy h ALA 544 Cb 0.63 0.64 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 3ihy h ALA 544 CO 0.04 -1.20 -0.36 1.96 0.00 0.00 0.00 179.25 179.69 3ihy h GLN 545 N -1.10 -0.01 -0.53 0.00 4.20 -1.37 -0.14 115.11 116.17 3ihy h GLN 545 Ca -0.09 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3ihy h GLN 545 Cb 0.90 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 3ihy h GLN 545 CO 0.04 -0.01 0.35 0.37 -0.67 0.00 0.00 178.83 178.91 3ihy h GLN 546 N -0.01 0.68 0.38 1.46 5.75 -1.19 -1.12 115.11 121.06 3ihy h GLN 546 Ca 0.37 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 3ihy h GLN 546 Cb 0.62 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3ihy h GLN 546 CO -0.97 0.45 -0.18 1.15 -2.65 0.00 0.00 178.83 176.63 3ihy h THR 547 N 0.70 0.63 -0.77 2.39 2.02 -0.67 0.49 112.91 117.70 3ihy h THR 547 Ca 0.19 -0.21 0.14 0.00 0.77 0.00 0.00 66.41 67.31 3ihy h THR 547 Cb -0.07 0.74 -0.14 0.00 -1.74 0.00 0.00 68.15 66.93 3ihy h THR 547 CO -0.05 0.04 -0.27 0.15 0.37 0.00 0.00 175.52 175.76 3ihy h PHE 548 N -0.63 -0.67 -0.40 3.16 3.04 -0.97 -0.34 116.94 120.12 3ihy h PHE 548 Ca -0.05 0.08 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 3ihy h PHE 548 Cb 0.46 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 3ihy h PHE 548 CO -0.02 -0.37 -0.22 0.28 -2.02 0.00 0.00 178.31 175.96 3ihy h VAL 549 N -0.05 1.28 -0.77 1.41 2.07 -0.67 0.11 116.25 119.64 3ihy h VAL 549 Ca 0.33 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.62 3ihy h VAL 549 Cb 0.58 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 3ihy h VAL 549 CO -0.81 0.46 0.35 0.44 0.02 0.00 0.00 177.57 178.03 3ihy h ASP 550 N 0.66 0.40 -0.25 0.57 3.32 0.58 -0.61 116.42 121.08 3ihy h ASP 550 Ca 0.08 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3ihy h ASP 550 Cb 0.79 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3ihy h ASP 550 CO 0.06 0.18 -0.09 0.03 -1.72 0.00 0.00 179.24 177.71 3ihy h ARG 551 N 0.54 0.50 -0.69 3.56 3.08 -0.50 -2.39 114.38 118.48 3ihy h ARG 551 Ca 0.41 -0.20 0.14 0.00 0.07 0.00 0.00 59.98 60.40 3ihy h ARG 551 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3ihy h ARG 551 CO -0.35 0.74 0.46 1.25 -1.07 0.00 0.00 179.97 181.00 3ihy h LEU 552 N 0.24 0.30 -0.12 3.04 5.85 -0.57 0.16 115.31 124.21 3ihy h LEU 552 Ca 0.06 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ihy h LEU 552 Cb 0.57 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3ihy h LEU 552 CO 0.03 0.16 -0.13 0.58 -0.34 0.00 0.00 178.44 178.74 3ihy h VAL 553 N 0.32 1.36 -0.93 1.05 2.07 -0.78 -0.04 116.25 119.30 3ihy h VAL 553 Ca 0.33 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.64 3ihy h VAL 553 Cb 0.84 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 3ihy h VAL 553 CO -0.09 0.38 0.60 -0.74 0.02 0.00 0.00 177.57 177.74 3ihy h HIS 554 N -0.09 1.01 -0.34 1.57 -0.00 -0.92 0.27 115.15 116.64 3ihy h HIS 554 Ca 0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 3ihy h HIS 554 Cb 0.67 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 3ihy h HIS 554 CO 0.09 0.45 -0.07 1.25 -0.00 0.00 0.00 177.93 179.64 3ihy h LEU 555 N 0.92 0.66 -0.21 0.26 5.85 -0.73 -2.34 115.31 119.72 3ihy h LEU 555 Ca 0.44 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ihy h LEU 555 Cb 0.43 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3ihy h LEU 555 CO -0.20 0.86 0.08 0.24 -0.34 0.00 0.00 178.44 179.08 3ihy h MET 556 N 0.44 0.31 -0.52 1.25 2.86 0.09 -0.77 114.93 118.59 3ihy h MET 556 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3ihy h MET 556 Cb 0.57 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3ihy h MET 556 CO 0.03 0.38 0.24 0.87 1.06 0.00 0.00 176.91 179.49 3ihy h LYS 557 N 0.17 0.73 -0.12 1.72 1.57 -0.54 -0.14 116.57 119.96 3ihy h LYS 557 Ca 0.07 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3ihy h LYS 557 Cb 0.19 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3ihy h LYS 557 CO -0.00 0.58 -0.10 0.00 -0.57 0.00 0.00 179.45 179.35 3ihy h ALA 558 N 1.54 -0.00 -0.27 3.86 0.00 -0.93 -2.42 119.26 121.04 3ihy h ALA 558 Ca 0.18 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3ihy h ALA 558 Cb 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ihy h ALA 558 CO -0.02 -0.55 -0.37 0.28 0.00 0.00 0.00 179.25 178.59 3ihy h VAL 559 N -0.11 1.29 -0.16 0.00 2.07 -0.58 -3.10 116.25 115.66 3ihy h VAL 559 Ca 0.08 -1.52 -0.22 0.00 0.82 0.00 0.00 66.70 65.86 3ihy h VAL 559 Cb 0.23 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3ihy h VAL 559 CO -0.19 0.48 -0.76 1.56 0.02 0.00 0.00 177.57 178.68 3ihy h GLN 560 N 0.50 0.79 0.00 1.57 4.20 -0.91 -3.16 115.11 118.10 3ihy h GLN 560 Ca 0.05 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.12 3ihy h GLN 560 Cb 0.87 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3ihy h GLN 560 CO 0.07 1.24 -0.08 0.54 -0.67 0.00 0.00 178.83 179.94 3ihy n ARG 561 N -3.94 0.05 -1.67 1.46 1.74 -0.92 -4.85 116.66 108.53 3ihy n ARG 561 Ca -0.07 0.04 -0.47 0.00 -0.77 0.00 0.00 57.85 56.57 3ihy n ARG 561 Cb 0.74 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 3ihy n ARG 561 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3ihy n GLU 562 N -1.64 2.06 -1.85 5.56 4.07 -1.17 -4.96 120.64 122.72 3ihy n GLU 562 Ca 0.06 0.74 -0.33 0.00 -0.06 0.00 0.00 57.16 57.58 3ihy n GLU 562 Cb 0.36 -2.52 0.03 0.00 -0.06 0.00 0.00 31.44 29.25 3ihy n GLU 562 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3ihy s SER 563 N 1.54 5.43 0.00 4.31 0.01 -1.26 -4.82 113.70 118.91 3ihy s SER 563 Ca 0.82 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.94 3ihy s SER 563 Cb -0.71 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.98 3ihy s SER 563 CO 0.42 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 173.27 3ihy n GLY 564 N -0.94 -1.82 3.79 3.44 0.00 -1.26 -4.83 105.19 103.57 3ihy n GLY 564 Ca 0.09 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 3ihy n GLY 564 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ihy n ASN 565 N 0.28 2.34 0.27 1.61 6.94 -1.26 -4.84 115.26 120.59 3ihy n ASN 565 Ca 0.00 -2.65 0.14 0.00 -0.02 0.00 0.00 54.58 52.04 3ihy n ASN 565 Cb 0.00 -0.26 0.77 0.00 -2.36 0.00 0.00 39.78 37.93 3ihy n ASN 565 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 3ihy h ARG 566 N 0.00 0.00 -0.46 -3.83 3.08 -1.98 0.84 114.38 112.04 3ihy h ARG 566 Ca -0.30 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 3ihy h ARG 566 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3ihy h ARG 566 CO 0.44 0.09 0.04 -0.22 -1.07 0.00 0.00 179.97 179.26 3ihy h LYS 567 N 0.00 0.78 0.55 0.04 1.63 -1.98 -1.26 116.57 116.31 3ihy h LYS 567 Ca -0.00 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 3ihy h LYS 567 Cb 0.28 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3ihy h LYS 567 CO 0.01 0.81 -0.26 0.87 -3.45 0.00 0.00 179.45 177.43 3ihy h LYS 568 N 0.63 -0.71 -0.96 1.90 1.79 -1.41 -1.27 116.57 116.54 3ihy h LYS 568 Ca 0.13 0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.76 3ihy h LYS 568 Cb 0.43 0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 31.16 3ihy h LYS 568 CO 0.02 -0.41 0.60 0.87 -1.08 0.00 0.00 179.45 179.44 3ihy h LYS 569 N -0.90 0.94 -0.39 3.15 1.57 -0.96 -1.27 116.57 118.70 3ihy h LYS 569 Ca -0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3ihy h LYS 569 Cb 0.62 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ihy h LYS 569 CO 0.12 0.62 0.04 -0.91 -0.57 0.00 0.00 179.45 178.75 3ihy h ASN 570 N 0.96 0.64 -0.74 0.86 2.35 -1.20 -1.01 115.58 117.44 3ihy h ASN 570 Ca 0.47 -0.28 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 3ihy h ASN 570 Cb 0.44 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3ihy h ASN 570 CO -0.26 0.76 0.49 -0.33 -1.65 0.00 0.00 177.43 176.44 3ihy h GLU 571 N 0.50 0.63 0.20 0.81 5.08 -0.09 -2.35 114.58 119.37 3ihy h GLU 571 Ca 0.12 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.11 3ihy h GLU 571 Cb 0.41 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.54 3ihy h GLU 571 CO 0.01 0.41 -1.54 -0.09 -1.00 0.00 0.00 179.01 176.81 3ihy h ARG 572 N 0.65 0.43 -0.79 2.33 2.43 -1.24 -1.86 114.38 116.33 3ihy h ARG 572 Ca 0.34 -0.74 0.15 0.00 -0.81 0.00 0.00 59.98 58.93 3ihy h ARG 572 Cb 0.47 0.27 -0.10 0.00 -0.42 0.00 0.00 29.97 30.19 3ihy h ARG 572 CO -0.12 1.35 0.33 1.25 -1.51 0.00 0.00 179.97 181.27 3ihy h LEU 573 N 0.04 0.31 0.14 3.80 5.85 -1.08 -0.29 115.31 124.08 3ihy h LEU 573 Ca -0.29 0.11 -0.29 0.00 0.84 0.00 0.00 57.88 58.25 3ihy h LEU 573 Cb 2.06 0.09 0.03 0.00 0.37 0.00 0.00 40.66 43.20 3ihy h LEU 573 CO 0.20 0.10 -1.23 1.56 -0.34 0.00 0.00 178.44 178.73 3ihy h GLN 574 N 0.46 0.58 -0.00 1.25 4.20 -1.47 -2.47 115.11 117.65 3ihy h GLN 574 Ca 0.44 -0.82 0.01 0.00 0.06 0.00 0.00 58.65 58.34 3ihy h GLN 574 Cb 0.69 0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3ihy h GLN 574 CO -0.42 1.37 -0.29 0.00 -0.67 0.00 0.00 178.83 178.82 3ihy h ALA 575 N 0.24 -0.74 -0.97 3.87 0.00 -1.20 0.24 119.26 120.71 3ihy h ALA 575 Ca -0.19 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.89 3ihy h ALA 575 Cb 1.92 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 20.38 3ihy h ALA 575 CO 0.24 -0.83 0.63 -0.07 0.00 0.00 0.00 179.25 179.21 3ihy h LEU 576 N -0.36 0.49 -0.26 0.00 3.38 -1.13 -1.53 115.31 115.90 3ihy h LEU 576 Ca 0.01 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 3ihy h LEU 576 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ihy h LEU 576 CO -0.20 0.16 -0.77 -0.07 0.09 0.00 0.00 178.44 177.66 3ihy h LEU 577 N 0.47 0.75 -1.98 1.67 3.38 -0.97 -2.98 115.31 115.64 3ihy h LEU 577 Ca 0.53 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ihy h LEU 577 Cb 1.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3ihy h LEU 577 CO -0.25 1.27 0.12 1.23 0.09 0.00 0.00 178.44 180.90 3ihy h GLY 578 N 0.87 0.03 -7.60 0.83 0.00 0.07 -3.38 103.07 93.89 3ihy h GLY 578 Ca -0.05 -0.01 -0.69 0.00 0.00 0.00 0.00 47.33 46.59 3ihy h GLY 578 CO 0.15 0.01 1.54 -0.35 0.00 0.00 0.00 176.54 177.89 3ihy s ASP 579 N -6.81 6.81 0.38 0.19 -1.08 -0.98 -4.81 116.67 110.37 3ihy s ASP 579 Ca -0.05 -2.37 0.28 0.00 -0.52 0.00 0.00 52.55 49.89 3ihy s ASP 579 Cb 0.18 -2.49 1.22 0.00 -1.46 0.00 0.00 42.92 40.37 3ihy s ASP 579 CO 0.69 -1.08 1.83 -1.13 0.52 0.00 0.00 175.17 176.00 3ihy h ASN 580 N 8.08 0.00 0.51 -0.34 -1.24 -1.83 -0.94 115.58 119.82 3ihy h ASN 580 Ca 0.31 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.06 3ihy h ASN 580 Cb 0.93 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.98 3ihy h ASN 580 CO 1.32 0.00 -1.11 -0.33 -1.29 0.00 0.00 177.43 176.01 3ihy h GLU 581 N 0.00 0.33 0.12 6.67 4.39 -1.96 -2.62 114.58 121.50 3ihy h GLU 581 Ca 0.00 -0.46 -0.28 0.00 0.34 0.00 0.00 59.36 58.96 3ihy h GLU 581 Cb 0.33 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3ihy h GLU 581 CO 0.00 1.17 -1.44 -0.22 -1.16 0.00 0.00 179.01 177.36 3ihy h LYS 582 N 0.14 0.25 0.00 2.33 3.64 -1.91 -3.43 116.57 117.59 3ihy h LYS 582 Ca -0.11 -0.42 -0.22 0.00 -1.27 0.00 0.00 60.65 58.62 3ihy h LYS 582 Cb 1.80 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 3ihy h LYS 582 CO 0.19 1.20 -1.98 -1.33 -2.27 0.00 0.00 179.45 175.26 3ihy n MET 583 N -3.90 1.36 -3.60 1.90 2.81 -0.37 -5.03 117.12 110.28 3ihy n MET 583 Ca -0.25 -0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.34 3ihy n MET 583 Cb 0.91 -1.38 0.01 0.00 -0.71 0.00 0.00 33.22 32.04 3ihy n MET 583 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ihy n ASN 584 N -2.46 -4.25 -0.29 7.83 4.13 -0.99 -4.87 115.26 114.35 3ihy n ASN 584 Ca -0.20 -0.57 0.06 0.00 1.68 0.00 0.00 54.58 55.55 3ihy n ASN 584 Cb 0.88 -3.46 -0.00 0.00 -1.54 0.00 0.00 39.78 35.66 3ihy n ASN 584 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ihy n LEU 585 N -4.13 1.40 -0.10 3.41 4.77 -1.26 -4.67 117.00 116.42 3ihy n LEU 585 Ca 0.01 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 55.10 3ihy n LEU 585 Cb 0.54 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 3ihy n LEU 585 CO 0.63 0.27 -1.17 -1.20 -1.33 0.00 0.00 177.39 174.59 3ihy n SER 586 N -0.19 0.49 -3.46 -1.43 7.64 -1.26 -0.03 113.62 115.38 3ihy n SER 586 Ca 0.05 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 3ihy n SER 586 Cb 0.27 0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 3ihy n SER 586 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ihy s ASP 587 N -5.76 0.44 0.14 6.43 2.15 -1.24 -4.11 116.67 114.73 3ihy s ASP 587 Ca -0.15 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.11 3ihy s ASP 587 Cb 0.07 0.93 -0.04 0.00 -0.30 0.00 0.00 42.92 43.57 3ihy s ASP 587 CO 0.78 -0.29 0.02 0.68 -0.17 0.00 0.00 175.17 176.19 3ihy s VAL 588 N 2.49 0.41 0.37 1.11 -7.23 0.22 -4.95 120.40 112.81 3ihy s VAL 588 Ca 0.08 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.05 3ihy s VAL 588 Cb -0.15 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 3ihy s VAL 588 CO -0.14 -0.54 1.23 -1.61 -0.31 0.00 0.00 175.10 173.74 3ihy s GLU 589 N -3.96 4.16 0.03 4.82 0.41 -1.26 -4.67 118.70 118.23 3ihy s GLU 589 Ca 0.22 2.01 -0.30 0.00 -0.41 0.00 0.00 54.97 56.48 3ihy s GLU 589 Cb 0.07 -2.84 -0.16 0.00 -1.78 0.00 0.00 34.13 29.42 3ihy s GLU 589 CO 0.01 -0.28 0.77 1.28 -0.49 0.00 0.00 175.26 176.56 3ihy n LEU 590 N 0.38 -0.22 -3.93 1.80 4.32 -1.26 -4.85 117.00 113.24 3ihy n LEU 590 Ca 0.03 0.94 -0.09 0.00 -0.02 0.00 0.00 56.01 56.86 3ihy n LEU 590 Cb 0.44 -0.75 -0.09 0.00 -1.62 0.00 0.00 43.42 41.41 3ihy n LEU 590 CO 0.54 -1.73 -0.19 0.27 -1.22 0.00 0.00 177.39 175.06 3ihy s ILE 591 N -0.17 0.15 0.42 -0.08 -4.36 -0.94 -4.95 121.20 111.28 3ihy s ILE 591 Ca 0.69 -1.22 -0.25 0.00 -0.26 0.00 0.00 60.65 59.62 3ihy s ILE 591 Cb -0.97 -1.13 -0.08 0.00 1.25 0.00 0.00 42.46 41.53 3ihy s ILE 591 CO 0.46 -0.67 1.22 -2.84 0.24 0.00 0.00 174.94 173.35 3ihy s PRO 592 N -3.18 3.92 -0.27 0.37 0.02 -1.26 -0.83 135.00 133.76 3ihy s PRO 592 Ca -0.00 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3ihy s PRO 592 Cb 0.02 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.92 3ihy s PRO 592 CO -0.07 -0.47 1.11 -1.17 -0.33 0.00 0.00 177.00 176.06 3ihy s LEU 593 N -2.63 4.01 0.26 -5.54 2.96 -0.67 -4.85 118.68 112.22 3ihy s LEU 593 Ca 0.59 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.73 3ihy s LEU 593 Cb -0.33 -3.54 0.57 0.00 0.50 0.00 0.00 46.19 43.38 3ihy s LEU 593 CO 0.42 -0.82 1.68 -0.65 -1.32 0.00 0.00 176.35 175.66 3ihy h PRO 594 N 8.01 0.28 -0.71 0.98 0.11 -1.93 -0.73 132.00 138.01 3ihy h PRO 594 Ca -0.21 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.01 3ihy h PRO 594 Cb 1.07 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 3ihy h PRO 594 CO 1.01 0.18 0.47 1.25 -0.21 0.00 0.00 178.00 180.70 3ihy h LEU 595 N 0.28 0.41 -5.40 2.35 5.85 -1.92 -3.34 115.31 113.55 3ihy h LEU 595 Ca 0.47 0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.92 3ihy h LEU 595 Cb 0.86 -0.07 -0.23 0.00 0.37 0.00 0.00 40.66 41.60 3ihy h LEU 595 CO -0.55 0.23 -0.64 1.21 -0.34 0.00 0.00 178.44 178.35 3ihy n GLU 596 N -4.48 0.46 0.30 1.25 2.13 -0.47 -4.82 120.64 115.02 3ihy n GLU 596 Ca 0.13 -2.36 0.16 0.00 0.66 0.00 0.00 57.16 55.74 3ihy n GLU 596 Cb 0.46 -1.52 0.95 0.00 0.27 0.00 0.00 31.44 31.60 3ihy n GLU 596 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3ihy h PRO 597 N 5.08 0.00 -0.86 5.31 0.13 -1.31 0.25 132.00 140.60 3ihy h PRO 597 Ca 0.10 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.43 3ihy h PRO 597 Cb 1.04 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 3ihy h PRO 597 CO 0.14 0.00 0.58 1.96 -0.23 0.00 0.00 178.00 180.45 3ihy h GLN 598 N 0.00 0.32 -5.83 0.86 7.50 -1.95 -3.38 115.11 112.63 3ihy h GLN 598 Ca -0.00 -0.02 -0.59 0.00 0.50 0.00 0.00 58.65 58.54 3ihy h GLN 598 Cb 0.00 -0.07 -0.08 0.00 0.05 0.00 0.00 27.48 27.38 3ihy h GLN 598 CO 0.00 0.21 0.39 0.08 -1.50 0.00 0.00 178.83 178.01 3ihy s VAL 599 N -5.34 4.88 0.05 -0.54 1.01 0.90 -5.02 120.40 116.33 3ihy s VAL 599 Ca -0.08 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 3ihy s VAL 599 Cb 0.22 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ihy s VAL 599 CO 0.78 -0.01 0.23 -0.54 0.00 0.00 0.00 175.10 175.55 3ihy s LYS 600 N 2.45 3.47 0.02 2.72 -0.14 -1.26 -1.67 119.74 125.33 3ihy s LYS 600 Ca 0.35 -0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.60 3ihy s LYS 600 Cb -0.16 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 3ihy s LYS 600 CO 0.10 0.61 0.01 0.96 -0.76 0.00 0.00 175.35 176.27 3ihy s ILE 601 N -1.46 0.12 -0.02 2.17 -5.25 -0.01 -1.17 121.20 115.59 3ihy s ILE 601 Ca 0.33 -1.02 0.06 0.00 -0.99 0.00 0.00 60.65 59.03 3ihy s ILE 601 Cb -0.13 -0.54 -0.09 0.00 2.95 0.00 0.00 42.46 44.65 3ihy s ILE 601 CO 0.24 -0.56 0.12 0.54 -1.79 0.00 0.00 174.94 173.49 3ihy n ARG 602 N 1.27 0.66 -3.34 0.37 1.74 -0.25 -2.21 116.66 114.90 3ihy n ARG 602 Ca -0.22 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 3ihy n ARG 602 Cb 0.56 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3ihy n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ihy n GLY 603 N 2.24 -1.25 3.74 -0.13 0.00 -1.26 0.71 105.19 109.24 3ihy n GLY 603 Ca -0.02 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 3ihy n GLY 603 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihy s ILE 604 N -3.00 4.59 -0.29 -0.61 1.01 0.96 -0.71 121.20 123.15 3ihy s ILE 604 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3ihy s ILE 604 Cb 0.00 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3ihy s ILE 604 CO 0.00 0.47 1.19 -0.63 0.00 0.00 0.00 174.94 175.97 3ihy s ILE 605 N -1.05 4.33 0.06 2.92 1.01 -0.08 -4.44 121.20 123.94 3ihy s ILE 605 Ca 0.18 1.53 -0.23 0.00 0.00 0.00 0.00 60.65 62.13 3ihy s ILE 605 Cb -0.12 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.95 3ihy s ILE 605 CO 0.08 -0.43 1.58 -0.65 0.00 0.00 0.00 174.94 175.52 3ihy h PRO 606 N 8.60 0.09 0.00 2.79 0.11 -1.90 -3.25 132.00 138.44 3ihy h PRO 606 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ihy h PRO 606 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ihy h PRO 606 CO 1.02 0.24 0.00 1.05 -0.21 0.00 0.00 178.00 180.11 3ihy h GLU 607 N -0.09 0.00 -0.00 1.05 9.09 -1.93 -2.95 114.58 119.75 3ihy h GLU 607 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3ihy h GLU 607 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3ihy h GLU 607 CO -0.00 0.00 -0.83 0.25 0.05 0.00 0.00 179.01 178.47 3ihy n THR 608 N -2.41 0.00 -2.36 -1.06 -2.24 -1.23 -5.01 114.28 99.97 3ihy n THR 608 Ca -0.00 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 3ihy n THR 608 Cb 0.14 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3ihy n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ihy s ALA 609 N -2.76 2.99 -0.24 6.98 0.00 -1.12 -4.83 121.76 122.78 3ihy s ALA 609 Ca 0.09 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 3ihy s ALA 609 Cb 0.15 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 20.02 3ihy s ALA 609 CO 0.76 -0.51 0.83 0.99 0.00 0.00 0.00 175.76 177.82 3ihy s THR 610 N -1.61 0.00 0.18 0.00 2.01 -1.05 -4.82 115.64 110.36 3ihy s THR 610 Ca 0.62 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 3ihy s THR 610 Cb -0.26 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 3ihy s THR 610 CO 0.31 0.00 0.95 -0.76 -0.69 0.00 0.00 174.62 174.43 3ihy s LEU 611 N 0.02 4.58 0.84 4.42 1.43 -1.26 -0.65 118.68 128.07 3ihy s LEU 611 Ca -0.01 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 3ihy s LEU 611 Cb -0.04 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.69 3ihy s LEU 611 CO 0.00 0.06 1.13 -0.36 0.23 0.00 0.00 176.35 177.41 3ihy s PHE 612 N -0.67 2.04 -0.33 0.29 0.08 -0.28 -4.94 117.98 114.17 3ihy s PHE 612 Ca 0.43 1.69 0.26 0.00 0.12 0.00 0.00 56.93 59.42 3ihy s PHE 612 Cb -0.25 -3.23 1.10 0.00 -0.57 0.00 0.00 43.02 40.06 3ihy s PHE 612 CO 0.31 -2.38 1.77 0.87 -0.10 0.00 0.00 175.22 175.69 3ihy h LYS 613 N -1.43 0.00 -6.55 0.44 1.57 -1.97 -3.43 116.57 105.19 3ihy h LYS 613 Ca -0.44 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.75 3ihy h LYS 613 Cb 1.25 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.70 3ihy h LYS 613 CO 0.46 0.00 0.05 0.45 -0.57 0.00 0.00 179.45 179.84 3ihy n SER 614 N -2.40 0.86 0.13 0.86 2.88 -1.26 -4.87 113.62 109.82 3ihy n SER 614 Ca 0.01 1.04 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 3ihy n SER 614 Cb 0.22 -1.30 0.50 0.00 -0.75 0.00 0.00 64.21 62.88 3ihy n SER 614 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ihy h ALA 615 N 1.47 1.78 0.00 -1.46 0.00 -2.02 -1.51 119.26 117.51 3ihy h ALA 615 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ihy h ALA 615 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ihy h ALA 615 CO 0.56 0.19 0.00 1.28 0.00 0.00 0.00 179.25 181.28 3ihy n LEU 616 N -4.46 0.64 -2.92 0.00 4.77 -1.26 -4.96 117.00 108.82 3ihy n LEU 616 Ca -0.00 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3ihy n LEU 616 Cb 0.12 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.78 3ihy n LEU 616 CO 0.35 -0.40 0.05 0.23 -1.33 0.00 0.00 177.39 176.29 3ihy n MET 617 N -2.17 -3.19 -2.74 3.23 2.81 -0.57 -4.79 117.12 109.70 3ihy n MET 617 Ca 0.03 0.69 -0.32 0.00 -1.81 0.00 0.00 57.70 56.30 3ihy n MET 617 Cb 0.29 -5.07 -0.04 0.00 -0.71 0.00 0.00 33.22 27.69 3ihy n MET 617 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ihy s PRO 618 N -4.50 3.94 -0.05 0.03 0.04 -1.26 -4.74 135.00 128.46 3ihy s PRO 618 Ca 0.22 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 3ihy s PRO 618 Cb -0.03 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3ihy s PRO 618 CO 0.59 -0.08 0.16 0.00 0.04 0.00 0.00 177.00 177.71 3ihy s ALA 619 N -2.37 3.89 -0.15 8.56 0.00 -0.63 -1.12 121.76 129.94 3ihy s ALA 619 Ca 0.56 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 3ihy s ALA 619 Cb -0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3ihy s ALA 619 CO 0.26 0.70 0.46 -1.14 0.00 0.00 0.00 175.76 176.05 3ihy s GLN 620 N -1.62 4.29 -0.06 0.00 0.74 0.18 -0.27 119.66 122.92 3ihy s GLN 620 Ca 0.23 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.03 3ihy s GLN 620 Cb -0.12 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.54 3ihy s GLN 620 CO 0.13 0.08 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.41 3ihy s LEU 621 N 0.89 1.13 -0.25 3.68 1.43 -0.38 -2.52 118.68 122.67 3ihy s LEU 621 Ca 0.24 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 3ihy s LEU 621 Cb -0.15 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3ihy s LEU 621 CO 0.09 -0.09 0.52 -0.36 0.23 0.00 0.00 176.35 176.74 3ihy s PHE 622 N 1.27 3.29 0.10 0.29 0.40 -1.26 -1.21 117.98 120.86 3ihy s PHE 622 Ca -0.05 0.67 -0.18 0.00 -0.60 0.00 0.00 56.93 56.77 3ihy s PHE 622 Cb -0.14 -2.71 -0.07 0.00 0.51 0.00 0.00 43.02 40.62 3ihy s PHE 622 CO -0.02 -0.24 0.57 -0.06 0.70 0.00 0.00 175.22 176.17 3ihy s PHE 623 N 2.15 3.75 -0.33 0.36 0.40 0.07 -0.90 117.98 123.47 3ihy s PHE 623 Ca 0.22 1.22 -0.25 0.00 -0.60 0.00 0.00 56.93 57.52 3ihy s PHE 623 Cb -0.16 -2.47 0.01 0.00 0.51 0.00 0.00 43.02 40.92 3ihy s PHE 623 CO 0.09 0.54 0.89 0.15 0.70 0.00 0.00 175.22 177.59 3ihy s LYS 624 N -1.35 3.93 0.38 0.44 1.02 0.11 -0.85 119.74 123.42 3ihy s LYS 624 Ca 0.32 0.66 -0.08 0.00 0.02 0.00 0.00 55.97 56.89 3ihy s LYS 624 Cb -0.18 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.32 3ihy s LYS 624 CO 0.19 -0.81 0.70 0.95 -0.92 0.00 0.00 175.35 175.45 3ihy s THR 625 N 3.25 4.89 0.26 2.17 -4.23 -1.04 -1.09 115.64 119.85 3ihy s THR 625 Ca 0.37 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3ihy s THR 625 Cb -0.13 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.20 3ihy s THR 625 CO 0.15 -0.52 1.71 -0.08 -0.54 0.00 0.00 174.62 175.34 3ihy h GLU 626 N 1.19 0.37 0.00 3.99 4.81 -1.49 0.33 114.58 123.77 3ihy h GLU 626 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ihy h GLU 626 Cb 1.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3ihy h GLU 626 CO 0.64 0.24 0.00 -0.40 -0.73 0.00 0.00 179.01 178.76 3ihy n ASP 627 N -5.07 0.00 0.00 1.04 5.68 -1.26 -4.87 116.55 112.08 3ihy n ASP 627 Ca 0.17 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 3ihy n ASP 627 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3ihy n ASP 627 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ihy n GLY 628 N 0.49 0.97 0.00 6.12 0.00 0.11 -5.06 105.19 107.83 3ihy n GLY 628 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ihy n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihy n GLY 629 N -2.00 -2.55 3.22 -0.02 0.00 -1.25 -4.75 105.19 97.84 3ihy n GLY 629 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 3ihy n GLY 629 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihy s LYS 630 N -1.17 0.30 -0.36 1.61 -2.85 -1.26 -2.51 119.74 113.50 3ihy s LYS 630 Ca 0.00 0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 55.81 3ihy s LYS 630 Cb 0.00 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3ihy s LYS 630 CO 0.00 -0.25 0.21 -0.47 0.10 0.00 0.00 175.35 174.94 3ihy s TYR 631 N 2.44 3.23 0.37 1.78 6.14 -0.03 -4.84 117.35 126.44 3ihy s TYR 631 Ca -0.02 -0.79 -0.24 0.00 0.64 0.00 0.00 57.07 56.66 3ihy s TYR 631 Cb -0.12 -2.44 -0.10 0.00 0.42 0.00 0.00 41.96 39.72 3ihy s TYR 631 CO -0.12 -0.58 0.95 -1.25 0.64 0.00 0.00 175.55 175.19 3ihy s PRO 632 N 1.59 4.42 0.02 4.97 0.04 -1.26 -0.75 135.00 144.03 3ihy s PRO 632 Ca 0.03 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 3ihy s PRO 632 Cb -0.19 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3ihy s PRO 632 CO 0.07 0.13 0.02 0.08 0.04 0.00 0.00 177.00 177.34 3ihy s VAL 633 N -1.86 0.12 -0.23 -0.36 1.01 -0.35 -3.62 120.40 115.10 3ihy s VAL 633 Ca 0.56 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3ihy s VAL 633 Cb -0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3ihy s VAL 633 CO 0.19 -0.53 0.11 -0.63 0.00 0.00 0.00 175.10 174.24 3ihy s ILE 634 N -1.80 4.86 -0.28 2.22 1.01 0.14 -1.24 121.20 126.11 3ihy s ILE 634 Ca -0.12 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3ihy s ILE 634 Cb -0.07 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3ihy s ILE 634 CO -0.02 0.36 0.04 0.12 0.00 0.00 0.00 174.94 175.45 3ihy s PHE 635 N 1.12 3.11 -0.17 3.97 5.36 0.63 -1.45 117.98 130.55 3ihy s PHE 635 Ca 0.06 -1.02 -0.09 0.00 -0.96 0.00 0.00 56.93 54.91 3ihy s PHE 635 Cb -0.14 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.29 3ihy s PHE 635 CO 0.04 -0.58 0.15 0.15 -1.46 0.00 0.00 175.22 173.52 3ihy s LYS 636 N 1.48 3.97 0.00 10.12 1.02 -0.41 -1.61 119.74 134.31 3ihy s LYS 636 Ca 0.03 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 55.89 3ihy s LYS 636 Cb -0.17 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 3ihy s LYS 636 CO 0.01 0.44 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.19 3ihy s HIS 637 N -0.07 0.99 0.00 3.18 5.65 -1.26 -1.03 115.29 122.75 3ihy s HIS 637 Ca 0.11 -0.23 0.00 0.00 0.25 0.00 0.00 55.06 55.19 3ihy s HIS 637 Cb -0.12 -0.62 0.00 0.00 -1.18 0.00 0.00 32.58 30.66 3ihy s HIS 637 CO 0.00 -0.01 0.00 0.41 -0.65 0.00 0.00 174.74 174.50 3ihy n GLY 638 N 2.56 0.80 3.36 1.59 0.00 0.70 -4.89 105.19 109.32 3ihy n GLY 638 Ca -0.15 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.35 3ihy n GLY 638 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihy s ASP 639 N -2.84 -0.42 -0.43 1.61 2.15 0.61 -5.01 116.67 112.33 3ihy s ASP 639 Ca 0.00 0.59 -0.27 0.00 0.43 0.00 0.00 52.55 53.29 3ihy s ASP 639 Cb 0.00 1.46 0.02 0.00 -0.30 0.00 0.00 42.92 44.11 3ihy s ASP 639 CO 0.00 -0.08 1.04 -0.62 -0.17 0.00 0.00 175.17 175.33 3ihy s ASP 640 N 2.25 6.64 0.00 -0.34 -1.08 -1.25 -3.09 116.67 119.81 3ihy s ASP 640 Ca -0.02 0.47 0.19 0.00 -0.52 0.00 0.00 52.55 52.67 3ihy s ASP 640 Cb -0.04 -2.51 0.82 0.00 -1.46 0.00 0.00 42.92 39.72 3ihy s ASP 640 CO -0.17 -1.08 1.57 0.18 0.52 0.00 0.00 175.17 176.19 3ihy n LEU 641 N 7.35 1.18 0.03 -1.34 4.77 -1.26 -4.53 117.00 123.19 3ihy n LEU 641 Ca 0.10 -0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 55.54 3ihy n LEU 641 Cb 0.48 -0.08 0.19 0.00 -2.33 0.00 0.00 43.42 41.69 3ihy n LEU 641 CO 0.66 0.25 0.68 0.03 -1.33 0.00 0.00 177.39 177.68 3ihy h ARG 642 N 1.55 0.43 -0.28 3.23 3.08 -1.90 -0.26 114.38 120.22 3ihy h ARG 642 Ca 0.00 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 3ihy h ARG 642 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3ihy h ARG 642 CO 0.00 0.70 -0.44 0.37 -1.07 0.00 0.00 179.97 179.54 3ihy h GLN 643 N 0.37 0.70 0.00 0.04 4.15 -1.91 -2.17 115.11 116.29 3ihy h GLN 643 Ca 0.05 -0.38 -0.09 0.00 0.77 0.00 0.00 58.65 58.99 3ihy h GLN 643 Cb 0.75 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3ihy h GLN 643 CO 0.06 1.00 -0.44 -0.44 -1.93 0.00 0.00 178.83 177.08 3ihy h ASP 644 N 0.56 0.00 0.04 -0.69 5.19 -1.74 -2.48 116.42 117.31 3ihy h ASP 644 Ca 0.04 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3ihy h ASP 644 Cb 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3ihy h ASP 644 CO 0.09 0.44 -0.02 -0.61 -3.12 0.00 0.00 179.24 176.02 3ihy h GLN 645 N 0.00 -0.06 -0.04 3.56 4.15 -0.90 -0.35 115.11 121.47 3ihy h GLN 645 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ihy h GLN 645 Cb 0.98 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 3ihy h GLN 645 CO 0.06 0.12 0.03 1.25 -1.93 0.00 0.00 178.83 178.36 3ihy h LEU 646 N -0.23 0.05 -0.49 -2.39 5.85 -1.34 -1.54 115.31 115.22 3ihy h LEU 646 Ca -0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3ihy h LEU 646 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3ihy h LEU 646 CO 0.01 0.06 0.00 0.40 -0.34 0.00 0.00 178.44 178.57 3ihy h ILE 647 N 0.04 1.26 0.00 4.05 1.08 -1.42 -1.67 117.51 120.85 3ihy h ILE 647 Ca 0.02 -1.07 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 3ihy h ILE 647 Cb 0.02 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3ihy h ILE 647 CO -0.00 0.38 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.56 3ihy h LEU 648 N 0.73 0.00 -0.07 1.44 -0.00 -1.02 -0.33 115.31 116.06 3ihy h LEU 648 Ca 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 3ihy h LEU 648 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 3ihy h LEU 648 CO 0.02 0.20 -0.05 -0.61 -0.00 0.00 0.00 178.44 178.01 3ihy h GLN 649 N 0.00 0.16 -0.76 1.13 4.15 -0.73 -2.38 115.11 116.68 3ihy h GLN 649 Ca -0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3ihy h GLN 649 Cb 0.53 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 3ihy h GLN 649 CO 0.03 0.57 0.33 0.82 -1.93 0.00 0.00 178.83 178.64 3ihy h ILE 650 N -0.24 1.25 -0.78 2.39 1.08 -0.87 0.17 117.51 120.52 3ihy h ILE 650 Ca 0.01 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 3ihy h ILE 650 Cb 0.53 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3ihy h ILE 650 CO 0.01 0.31 0.34 0.40 -0.69 0.00 0.00 178.15 178.53 3ihy h ILE 651 N 1.10 1.25 -0.60 -0.67 2.04 -1.12 0.18 117.51 119.68 3ihy h ILE 651 Ca 0.26 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3ihy h ILE 651 Cb 0.17 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3ihy h ILE 651 CO -0.03 0.31 0.12 -1.28 0.00 0.00 0.00 178.15 177.27 3ihy h SER 652 N 1.11 0.93 0.03 1.72 0.87 -0.95 -1.26 113.55 116.00 3ihy h SER 652 Ca 0.26 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ihy h SER 652 Cb 0.16 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ihy h SER 652 CO -0.03 0.94 -0.02 0.25 -0.53 0.00 0.00 176.83 177.44 3ihy h LEU 653 N 0.88 -0.04 -0.99 2.23 5.85 0.13 -1.81 115.31 121.56 3ihy h LEU 653 Ca 0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ihy h LEU 653 Cb 0.39 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3ihy h LEU 653 CO 0.01 -0.01 0.41 0.24 -0.34 0.00 0.00 178.44 178.75 3ihy h MET 654 N -0.06 1.12 -0.09 1.25 2.86 -0.52 0.12 114.93 119.61 3ihy h MET 654 Ca -0.00 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3ihy h MET 654 Cb 0.05 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3ihy h MET 654 CO 0.01 0.84 0.04 0.22 1.06 0.00 0.00 176.91 179.08 3ihy h ASP 655 N 1.12 0.12 -0.50 1.22 3.58 -1.21 0.12 116.42 120.87 3ihy h ASP 655 Ca 0.28 -0.13 0.08 0.00 0.42 0.00 0.00 57.03 57.67 3ihy h ASP 655 Cb 0.07 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 3ihy h ASP 655 CO -0.04 0.22 0.14 0.11 -2.88 0.00 0.00 179.24 176.79 3ihy h LYS 656 N 0.01 0.29 -0.33 0.28 1.57 -0.62 -0.23 116.57 117.55 3ihy h LYS 656 Ca 0.03 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3ihy h LYS 656 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3ihy h LYS 656 CO -0.00 0.19 0.03 -0.07 -0.57 0.00 0.00 179.45 179.03 3ihy h LEU 657 N 0.30 0.55 -0.75 2.94 3.38 -0.61 0.56 115.31 121.68 3ihy h LEU 657 Ca 0.25 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ihy h LEU 657 Cb 0.30 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3ihy h LEU 657 CO -0.29 0.70 0.47 -0.07 0.09 0.00 0.00 178.44 179.35 3ihy h LEU 658 N 0.38 0.79 -1.01 1.67 3.38 -0.63 -1.91 115.31 117.98 3ihy h LEU 658 Ca 0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 658 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ihy h LEU 658 CO 0.01 0.54 -0.13 0.03 0.09 0.00 0.00 178.44 178.99 3ihy h ARG 659 N 0.93 0.56 -1.00 1.13 3.08 -0.71 0.80 114.38 119.17 3ihy h ARG 659 Ca 0.30 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ihy h ARG 659 Cb 0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 3ihy h ARG 659 CO -0.11 0.68 0.66 -0.22 -1.07 0.00 0.00 179.97 179.92 3ihy h LYS 660 N 0.52 1.30 -0.05 0.04 3.64 -0.46 0.95 116.57 122.51 3ihy h LYS 660 Ca 0.09 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ihy h LYS 660 Cb 0.53 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ihy h LYS 660 CO 0.03 0.86 0.00 0.39 -2.27 0.00 0.00 179.45 178.46 3ihy n GLU 661 N -4.40 1.13 -2.78 1.90 -0.58 -0.76 -4.86 120.64 110.30 3ihy n GLU 661 Ca 0.12 -0.20 -0.11 0.00 -0.42 0.00 0.00 57.16 56.55 3ihy n GLU 661 Cb 0.03 -1.11 0.03 0.00 -0.57 0.00 0.00 31.44 29.82 3ihy n GLU 661 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3ihy n ASN 662 N -0.40 -3.93 -3.92 1.62 5.15 0.33 -5.00 115.26 109.11 3ihy n ASN 662 Ca 0.05 -0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 53.55 3ihy n ASN 662 Cb 0.06 -2.71 -0.16 0.00 -0.53 0.00 0.00 39.78 36.45 3ihy n ASN 662 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ihy s LEU 663 N -3.74 2.17 -0.38 1.20 2.96 0.20 -4.97 118.68 116.13 3ihy s LEU 663 Ca 0.20 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 3ihy s LEU 663 Cb -0.09 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.55 3ihy s LEU 663 CO 0.25 -0.21 0.22 -0.62 -1.32 0.00 0.00 176.35 174.67 3ihy s ASP 664 N 1.49 5.78 -0.31 3.68 2.15 -1.26 -2.47 116.67 125.72 3ihy s ASP 664 Ca -0.03 -1.01 0.06 0.00 0.43 0.00 0.00 52.55 52.00 3ihy s ASP 664 Cb -0.17 -2.04 0.60 0.00 -0.30 0.00 0.00 42.92 41.00 3ihy s ASP 664 CO -0.07 -0.40 1.68 0.18 -0.17 0.00 0.00 175.17 176.39 3ihy n LEU 665 N 5.02 5.68 -3.90 -1.34 4.77 -1.26 -4.90 117.00 121.07 3ihy n LEU 665 Ca -0.12 -2.98 -0.26 0.00 -0.03 0.00 0.00 56.01 52.62 3ihy n LEU 665 Cb 0.46 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3ihy n LEU 665 CO 0.37 0.82 -0.10 0.29 -1.33 0.00 0.00 177.39 177.44 3ihy n LYS 666 N -0.38 -4.16 -1.71 3.23 4.76 -1.26 -2.35 118.16 116.29 3ihy n LYS 666 Ca 0.40 0.50 -0.29 0.00 -2.87 0.00 0.00 58.31 56.05 3ihy n LYS 666 Cb 1.32 -4.95 0.11 0.00 -1.84 0.00 0.00 35.03 29.66 3ihy n LYS 666 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ihy s LEU 667 N -6.96 2.32 -0.48 -0.35 1.43 -1.26 -4.67 118.68 108.70 3ihy s LEU 667 Ca 0.19 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 3ihy s LEU 667 Cb -0.10 -3.37 0.21 0.00 0.03 0.00 0.00 46.19 42.96 3ihy s LEU 667 CO 0.86 -2.16 0.49 0.41 0.23 0.00 0.00 176.35 176.18 3ihy n THR 668 N -3.50 -0.10 -1.80 5.49 -1.04 -1.26 -5.02 114.28 107.04 3ihy n THR 668 Ca 0.07 -4.11 -0.42 0.00 -2.04 0.00 0.00 64.05 57.56 3ihy n THR 668 Cb 0.60 -1.91 -0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3ihy n THR 668 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ihy n PRO 669 N 1.88 3.15 -1.64 -2.82 -0.04 -1.26 -4.90 135.00 129.37 3ihy n PRO 669 Ca 0.25 -2.75 -0.37 0.00 -0.04 0.00 0.00 63.50 60.59 3ihy n PRO 669 Cb 0.47 -3.14 0.07 0.00 -0.04 0.00 0.00 33.50 30.86 3ihy n PRO 669 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3ihy n TYR 670 N 5.23 1.59 -2.63 0.54 0.18 -1.26 -4.89 117.16 115.93 3ihy n TYR 670 Ca 0.53 0.42 -0.34 0.00 1.88 0.00 0.00 57.90 60.39 3ihy n TYR 670 Cb 0.36 -2.22 -0.05 0.00 -0.38 0.00 0.00 39.34 37.06 3ihy n TYR 670 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3ihy s LYS 671 N -3.31 3.96 -0.15 -3.48 1.02 -1.26 -4.91 119.74 111.62 3ihy s LYS 671 Ca 0.80 1.30 -0.05 0.00 0.02 0.00 0.00 55.97 58.05 3ihy s LYS 671 Cb -0.38 -2.16 0.07 0.00 -0.52 0.00 0.00 37.83 34.85 3ihy s LYS 671 CO 0.43 -0.29 0.26 0.08 -0.92 0.00 0.00 175.35 174.91 3ihy s VAL 672 N -2.01 -0.41 -0.23 3.17 1.01 -1.26 -1.62 120.40 119.04 3ihy s VAL 672 Ca 0.65 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3ihy s VAL 672 Cb -0.15 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 35.79 3ihy s VAL 672 CO 0.18 0.06 -0.11 -0.22 0.00 0.00 0.00 175.10 175.01 3ihy s LEU 673 N 2.41 2.76 -0.03 3.92 2.96 -1.00 -4.81 118.68 124.89 3ihy s LEU 673 Ca 0.03 -1.10 -0.30 0.00 -0.22 0.00 0.00 54.13 52.54 3ihy s LEU 673 Cb -0.13 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 3ihy s LEU 673 CO -0.09 -0.16 1.37 0.00 -1.32 0.00 0.00 176.35 176.15 3ihy s ALA 674 N 1.27 3.58 -0.80 5.97 0.00 -1.26 -0.30 121.76 130.21 3ihy s ALA 674 Ca -0.04 0.79 0.22 0.00 0.00 0.00 0.00 51.96 52.92 3ihy s ALA 674 Cb -0.18 -3.59 -0.18 0.00 0.00 0.00 0.00 23.12 19.17 3ihy s ALA 674 CO -0.07 -0.95 0.87 0.25 0.00 0.00 0.00 175.76 175.85 3ihy n THR 675 N 4.80 0.01 -3.72 0.00 -2.24 -0.91 -4.78 114.28 107.45 3ihy n THR 675 Ca 0.13 -0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.75 3ihy n THR 675 Cb 0.44 0.72 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 3ihy n THR 675 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ihy n SER 676 N -1.67 -1.75 0.18 3.42 2.88 -0.23 -4.73 113.62 111.72 3ihy n SER 676 Ca 0.03 -2.12 0.13 0.00 -1.33 0.00 0.00 58.87 55.58 3ihy n SER 676 Cb 0.38 2.89 0.63 0.00 -0.75 0.00 0.00 64.21 67.36 3ihy n SER 676 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3ihy h THR 677 N 1.83 0.00 0.00 2.46 1.35 -1.86 -3.22 112.91 113.46 3ihy h THR 677 Ca -0.26 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3ihy h THR 677 Cb 1.02 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3ihy h THR 677 CO 0.34 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.90 3ihy n LYS 678 N -2.38 0.04 -3.67 4.72 4.76 -1.26 -3.86 118.16 116.51 3ihy n LYS 678 Ca -0.00 -0.48 -0.08 0.00 -2.87 0.00 0.00 58.31 54.88 3ihy n LYS 678 Cb 0.11 -0.77 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 3ihy n LYS 678 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 3ihy s HIS 679 N -0.14 -0.29 -2.75 2.13 -3.43 -1.18 -0.21 115.29 109.41 3ihy s HIS 679 Ca 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 3ihy s HIS 679 Cb 0.00 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3ihy s HIS 679 CO 0.00 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.21 3ihy n GLY 680 N -0.41 -1.77 3.92 -1.38 0.00 -0.20 -1.07 105.19 104.28 3ihy n GLY 680 Ca -0.09 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 3ihy n GLY 680 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihy s PHE 681 N -2.43 2.91 -0.20 1.61 0.08 0.59 -1.29 117.98 119.25 3ihy s PHE 681 Ca 0.00 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 3ihy s PHE 681 Cb 0.00 -2.01 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 3ihy s PHE 681 CO 0.00 -0.02 0.80 1.41 -0.10 0.00 0.00 175.22 177.31 3ihy s MET 682 N -4.12 0.81 -0.05 0.44 -2.45 -0.53 -2.39 119.30 111.02 3ihy s MET 682 Ca 0.46 0.62 -0.27 0.00 -1.25 0.00 0.00 55.69 55.25 3ihy s MET 682 Cb -0.07 0.39 -0.03 0.00 1.25 0.00 0.00 34.83 36.37 3ihy s MET 682 CO 0.29 -0.17 0.86 -1.14 1.05 0.00 0.00 175.02 175.92 3ihy s GLN 683 N -0.26 4.48 -0.23 4.11 0.74 -0.64 0.26 119.66 128.12 3ihy s GLN 683 Ca -0.03 1.18 -0.27 0.00 0.05 0.00 0.00 55.36 56.29 3ihy s GLN 683 Cb -0.03 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.61 3ihy s GLN 683 CO 0.02 -0.05 0.97 0.12 -0.55 0.00 0.00 175.29 175.80 3ihy s PHE 684 N 1.09 3.33 -0.25 1.67 5.36 -1.24 -4.77 117.98 123.17 3ihy s PHE 684 Ca 0.45 1.36 -0.02 0.00 -0.96 0.00 0.00 56.93 57.75 3ihy s PHE 684 Cb -0.19 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.32 3ihy s PHE 684 CO 0.22 -0.45 -0.04 0.42 -1.46 0.00 0.00 175.22 173.91 3ihy s ILE 685 N 3.05 3.04 0.05 3.12 -1.09 -1.26 -4.89 121.20 123.22 3ihy s ILE 685 Ca 0.41 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.60 3ihy s ILE 685 Cb -0.15 -2.53 -0.09 0.00 -1.58 0.00 0.00 42.46 38.11 3ihy s ILE 685 CO 0.07 0.22 1.89 -1.58 -1.23 0.00 0.00 174.94 174.30 3ihy s GLN 686 N 1.36 4.15 0.02 2.79 0.74 -1.26 -4.88 119.66 122.58 3ihy s GLN 686 Ca 0.01 2.55 -0.28 0.00 0.05 0.00 0.00 55.36 57.69 3ihy s GLN 686 Cb -0.16 -4.00 0.10 0.00 1.10 0.00 0.00 33.01 30.05 3ihy s GLN 686 CO -0.04 -0.91 1.22 -1.54 -0.55 0.00 0.00 175.29 173.48 3ihy s SER 687 N 3.87 -0.05 -0.05 6.67 1.04 -1.26 -4.75 113.70 119.17 3ihy s SER 687 Ca 0.85 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3ihy s SER 687 Cb -0.42 0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.93 3ihy s SER 687 CO 0.39 -0.44 -0.15 -0.69 0.98 0.00 0.00 173.24 173.33 3ihy s VAL 688 N -2.40 1.25 0.62 5.02 1.01 -0.12 -4.93 120.40 120.86 3ihy s VAL 688 Ca 0.18 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 3ihy s VAL 688 Cb 0.02 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3ihy s VAL 688 CO -0.01 0.37 1.25 -2.84 0.00 0.00 0.00 175.10 173.87 3ihy s PRO 689 N 0.20 2.78 0.41 2.72 0.02 -1.26 -1.43 135.00 138.45 3ihy s PRO 689 Ca -0.06 1.95 0.14 0.00 0.02 0.00 0.00 61.00 63.05 3ihy s PRO 689 Cb -0.12 -1.90 0.86 0.00 0.02 0.00 0.00 34.50 33.37 3ihy s PRO 689 CO 0.02 -1.39 1.91 0.28 -0.33 0.00 0.00 177.00 177.49 3ihy h VAL 690 N 0.74 1.19 -0.20 3.83 2.07 -0.84 -0.70 116.25 122.35 3ihy h VAL 690 Ca -0.51 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3ihy h VAL 690 Cb 1.32 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3ihy h VAL 690 CO 0.54 0.27 0.06 0.00 0.02 0.00 0.00 177.57 178.46 3ihy h ALA 691 N 1.72 0.27 -0.88 1.67 0.00 -1.33 -0.56 119.26 120.15 3ihy h ALA 691 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ihy h ALA 691 Cb 0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3ihy h ALA 691 CO 0.04 -0.10 0.58 1.49 0.00 0.00 0.00 179.25 181.25 3ihy h GLU 692 N 0.15 1.12 0.02 0.00 4.81 -1.64 -1.09 114.58 117.93 3ihy h GLU 692 Ca 0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ihy h GLU 692 Cb 0.25 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ihy h GLU 692 CO -0.00 0.74 -0.01 0.28 -0.73 0.00 0.00 179.01 179.29 3ihy h VAL 693 N 1.15 1.05 -0.31 0.32 2.07 -0.86 -0.89 116.25 118.77 3ihy h VAL 693 Ca 0.34 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3ihy h VAL 693 Cb -0.07 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3ihy h VAL 693 CO -0.09 0.05 0.25 -0.07 0.02 0.00 0.00 177.57 177.72 3ihy h LEU 694 N -0.10 0.00 0.00 2.57 4.07 -0.74 0.26 115.31 121.36 3ihy h LEU 694 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3ihy h LEU 694 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3ihy h LEU 694 CO 0.00 0.00 -1.80 -0.67 -1.08 0.00 0.00 178.44 174.89 3ihy n ASP 695 N -4.23 0.21 -0.01 -0.43 2.03 -0.45 -2.43 116.55 111.24 3ihy n ASP 695 Ca 0.04 0.08 -0.21 0.00 0.52 0.00 0.00 54.79 55.23 3ihy n ASP 695 Cb 0.41 1.53 -0.14 0.00 -0.72 0.00 0.00 41.12 42.20 3ihy n ASP 695 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3ihy n THR 696 N -2.41 1.75 0.16 5.18 -2.24 -0.38 -4.74 114.28 111.60 3ihy n THR 696 Ca -0.06 -0.62 0.02 0.00 -2.27 0.00 0.00 64.05 61.12 3ihy n THR 696 Cb 0.62 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 3ihy n THR 696 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ihy n GLU 697 N -3.51 4.00 0.00 -0.78 -0.58 0.06 -5.05 120.64 114.78 3ihy n GLU 697 Ca -0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3ihy n GLU 697 Cb 1.03 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 3ihy n GLU 697 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihy n GLY 698 N 1.42 2.94 3.51 0.62 0.00 -1.02 -4.68 105.19 107.98 3ihy n GLY 698 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3ihy n GLY 698 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihy s SER 699 N 0.49 -0.48 0.33 1.61 1.04 -1.26 -4.82 113.70 110.61 3ihy s SER 699 Ca 0.00 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.28 3ihy s SER 699 Cb 0.00 0.62 0.59 0.00 0.10 0.00 0.00 66.02 67.33 3ihy s SER 699 CO 0.00 -1.05 1.97 0.40 0.98 0.00 0.00 173.24 175.54 3ihy h ILE 700 N 2.02 1.12 -0.42 -1.02 2.04 -1.91 -2.70 117.51 116.64 3ihy h ILE 700 Ca -0.31 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 3ihy h ILE 700 Cb 1.29 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3ihy h ILE 700 CO 0.35 0.17 -0.18 1.56 0.00 0.00 0.00 178.15 180.05 3ihy h GLN 701 N 0.94 0.80 -0.15 2.37 4.20 -1.86 -1.78 115.11 119.63 3ihy h GLN 701 Ca 0.30 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3ihy h GLN 701 Cb 0.04 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ihy h GLN 701 CO -0.09 0.92 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.95 3ihy h ASN 702 N 0.71 0.23 -0.15 1.46 2.35 -1.77 -0.30 115.58 118.11 3ihy h ASN 702 Ca 0.10 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3ihy h ASN 702 Cb 0.69 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3ihy h ASN 702 CO 0.05 0.40 -0.03 0.15 -1.65 0.00 0.00 177.43 176.35 3ihy h PHE 703 N 0.23 0.33 -0.32 1.19 3.57 -1.11 -0.31 116.94 120.53 3ihy h PHE 703 Ca 0.05 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3ihy h PHE 703 Cb 0.40 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3ihy h PHE 703 CO 0.01 0.57 -0.34 0.74 -2.23 0.00 0.00 178.31 177.05 3ihy h PHE 704 N -0.00 0.82 -0.32 0.41 0.04 -1.13 -0.99 116.94 115.77 3ihy h PHE 704 Ca 0.04 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 60.61 3ihy h PHE 704 Cb 0.46 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3ihy h PHE 704 CO 0.05 0.95 0.17 0.00 -0.60 0.00 0.00 178.31 178.88 3ihy h ARG 705 N 0.59 0.34 0.81 1.51 3.08 -0.99 0.47 114.38 120.19 3ihy h ARG 705 Ca 0.06 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3ihy h ARG 705 Cb 0.86 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.84 3ihy h ARG 705 CO 0.07 0.23 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.59 3ihy h LYS 706 N 0.35 -1.05 0.00 0.04 3.64 -0.76 -3.08 116.57 115.72 3ihy h LYS 706 Ca 0.13 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ihy h LYS 706 Cb 0.03 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ihy h LYS 706 CO -0.08 -0.69 -0.60 0.66 -2.27 0.00 0.00 179.45 176.47 3ihy n TYR 707 N -5.53 0.40 -2.91 1.91 4.02 -0.40 -4.45 117.16 110.19 3ihy n TYR 707 Ca -0.14 0.12 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 3ihy n TYR 707 Cb 0.44 -0.55 0.03 0.00 -0.02 0.00 0.00 39.34 39.24 3ihy n TYR 707 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ihy n ALA 708 N -1.75 1.34 -1.80 -0.72 0.00 0.16 -5.05 120.51 112.70 3ihy n ALA 708 Ca 0.04 -2.55 -0.35 0.00 0.00 0.00 0.00 53.44 50.58 3ihy n ALA 708 Cb 0.41 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 3ihy n ALA 708 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ihy s PRO 709 N -1.46 4.17 -0.14 0.00 0.04 -1.16 -1.73 135.00 134.72 3ihy s PRO 709 Ca 0.31 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 3ihy s PRO 709 Cb 0.36 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.61 3ihy s PRO 709 CO -0.05 -0.10 0.09 0.45 0.04 0.00 0.00 177.00 177.43 3ihy s SER 710 N -1.90 1.91 0.07 6.66 0.15 0.14 -4.58 113.70 116.15 3ihy s SER 710 Ca 0.60 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 3ihy s SER 710 Cb -0.15 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3ihy s SER 710 CO 0.20 -0.32 0.60 1.21 1.20 0.00 0.00 173.24 176.13 3ihy n GLU 711 N 5.29 -0.14 0.00 5.44 4.07 -1.26 -0.87 120.64 133.17 3ihy n GLU 711 Ca -0.06 0.59 0.11 0.00 -0.06 0.00 0.00 57.16 57.74 3ihy n GLU 711 Cb 0.49 -0.87 0.09 0.00 -0.06 0.00 0.00 31.44 31.09 3ihy n GLU 711 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ihy n ASN 712 N -4.52 1.02 -4.68 4.31 4.13 -1.26 -4.80 115.26 109.47 3ihy n ASN 712 Ca 0.02 -0.84 -0.31 0.00 1.68 0.00 0.00 54.58 55.13 3ihy n ASN 712 Cb 0.12 0.56 0.16 0.00 -1.54 0.00 0.00 39.78 39.08 3ihy n ASN 712 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ihy s GLY 713 N -2.84 1.71 0.22 7.41 0.00 -0.05 -4.92 107.32 108.86 3ihy s GLY 713 Ca 0.13 0.60 -0.32 0.00 0.00 0.00 0.00 44.72 45.14 3ihy s GLY 713 CO 0.72 1.02 1.55 -1.55 0.00 0.00 0.00 173.10 174.84 3ihy n PRO 714 N -4.20 2.34 -3.40 2.90 -0.04 -1.00 -2.30 135.00 129.30 3ihy n PRO 714 Ca 0.12 0.84 -0.19 0.00 -0.04 0.00 0.00 63.50 64.22 3ihy n PRO 714 Cb 0.52 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 3ihy n PRO 714 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ihy n ASN 715 N 2.81 -1.36 0.00 3.54 5.03 -1.26 -0.56 115.26 123.45 3ihy n ASN 715 Ca 0.13 -0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.28 3ihy n ASN 715 Cb 0.32 -1.25 0.00 0.00 -1.02 0.00 0.00 39.78 37.83 3ihy n ASN 715 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ihy n GLY 716 N -0.75 0.77 3.63 7.41 0.00 -0.97 -4.95 105.19 110.33 3ihy n GLY 716 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ihy n GLY 716 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihy s ILE 717 N -3.02 3.92 0.42 -0.61 1.01 0.27 0.24 121.20 123.43 3ihy s ILE 717 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 3ihy s ILE 717 Cb 0.00 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 3ihy s ILE 717 CO 0.00 0.47 1.41 -0.94 0.00 0.00 0.00 174.94 175.88 3ihy s SER 718 N -1.23 6.10 0.44 3.58 1.04 -0.70 -2.38 113.70 120.54 3ihy s SER 718 Ca 0.16 2.88 0.15 0.00 0.48 0.00 0.00 55.95 59.62 3ihy s SER 718 Cb -0.11 -2.65 0.98 0.00 0.10 0.00 0.00 66.02 64.33 3ihy s SER 718 CO 0.06 -1.02 1.97 0.00 0.98 0.00 0.00 173.24 175.23 3ihy h ALA 719 N 2.58 1.62 0.09 5.32 0.00 -1.92 -1.96 119.26 124.99 3ihy h ALA 719 Ca -0.50 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ihy h ALA 719 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ihy h ALA 719 CO 0.62 0.27 -0.04 1.49 0.00 0.00 0.00 179.25 181.59 3ihy h GLU 720 N 0.00 -0.11 -0.78 0.00 4.81 -1.99 -1.62 114.58 114.89 3ihy h GLU 720 Ca -0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3ihy h GLU 720 Cb 0.38 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3ihy h GLU 720 CO 0.03 0.27 0.33 0.28 -0.73 0.00 0.00 179.01 179.19 3ihy h VAL 721 N -0.52 1.26 0.00 0.32 2.07 -1.73 -1.33 116.25 116.31 3ihy h VAL 721 Ca -0.01 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3ihy h VAL 721 Cb 0.44 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3ihy h VAL 721 CO 0.02 0.32 -0.17 -0.03 0.02 0.00 0.00 177.57 177.74 3ihy h MET 722 N 1.13 0.00 0.43 1.57 1.85 -1.39 -2.02 114.93 116.51 3ihy h MET 722 Ca 0.26 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.33 3ihy h MET 722 Cb 0.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.23 3ihy h MET 722 CO -0.02 0.17 -0.21 0.22 -0.40 0.00 0.00 176.91 176.66 3ihy h ASP 723 N 0.00 -0.49 -1.00 1.39 3.58 -0.23 -2.11 116.42 117.55 3ihy h ASP 723 Ca -0.00 -0.09 0.23 0.00 0.42 0.00 0.00 57.03 57.59 3ihy h ASP 723 Cb 0.41 0.13 -0.12 0.00 1.72 0.00 0.00 39.33 41.47 3ihy h ASP 723 CO 0.02 -0.08 0.60 0.74 -2.88 0.00 0.00 179.24 177.64 3ihy h THR 724 N -1.02 0.58 0.49 2.25 2.02 -1.39 0.05 112.91 115.88 3ihy h THR 724 Ca -0.06 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3ihy h THR 724 Cb 0.55 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3ihy h THR 724 CO 0.10 0.11 -0.24 0.22 0.37 0.00 0.00 175.52 176.09 3ihy h TYR 725 N 0.63 -0.61 -0.92 3.16 5.03 -1.18 -0.95 116.97 122.12 3ihy h TYR 725 Ca 0.63 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 62.05 3ihy h TYR 725 Cb 1.14 0.20 -0.07 0.00 1.55 0.00 0.00 36.73 39.55 3ihy h TYR 725 CO -0.01 -0.29 0.59 0.28 -1.32 0.00 0.00 178.16 177.41 3ihy h VAL 726 N -0.91 0.90 0.12 1.81 2.07 -0.66 -0.98 116.25 118.60 3ihy h VAL 726 Ca -0.07 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3ihy h VAL 726 Cb 0.59 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3ihy h VAL 726 CO 0.11 0.15 -0.06 0.11 0.02 0.00 0.00 177.57 177.91 3ihy h LYS 727 N 0.84 -0.16 -0.50 1.57 1.57 -0.89 -2.15 116.57 116.84 3ihy h LYS 727 Ca 0.45 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.17 3ihy h LYS 727 Cb 0.56 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3ihy h LYS 727 CO -0.21 0.27 -0.00 0.66 -0.57 0.00 0.00 179.45 179.60 3ihy h SER 728 N -0.65 0.81 -0.29 0.86 4.64 -0.78 0.17 113.55 118.31 3ihy h SER 728 Ca -0.02 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.17 3ihy h SER 728 Cb 0.50 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 3ihy h SER 728 CO 0.03 0.87 -0.13 0.00 -0.87 0.00 0.00 176.83 176.73 3ihy h ALA 730 N 1.17 0.51 0.20 0.00 0.00 -0.36 0.70 119.26 121.48 3ihy h ALA 730 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ihy h ALA 730 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ihy h ALA 730 CO -0.35 -0.20 -0.10 0.78 0.00 0.00 0.00 179.25 179.39 3ihy h GLY 731 N 0.36 -0.28 2.00 0.00 0.00 0.18 -2.08 103.07 103.25 3ihy h GLY 731 Ca 0.19 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3ihy h GLY 731 CO -0.16 -0.10 -0.18 -0.97 0.00 0.00 0.00 176.54 175.13 3ihy h TYR 732 N -0.44 0.00 -0.05 5.60 0.05 -0.86 0.32 116.97 121.59 3ihy h TYR 732 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3ihy h TYR 732 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 3ihy h TYR 732 CO -0.01 0.18 -0.02 0.00 -1.05 0.00 0.00 178.16 177.25 3ihy h VAL 734 N -0.26 1.22 -0.30 0.00 2.07 -0.92 -2.86 116.25 115.20 3ihy h VAL 734 Ca 0.01 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3ihy h VAL 734 Cb 0.43 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3ihy h VAL 734 CO 0.01 0.25 -0.05 0.40 0.02 0.00 0.00 177.57 178.19 3ihy h ILE 735 N 0.30 1.28 -0.06 4.57 2.04 -0.32 -2.22 117.51 123.09 3ihy h ILE 735 Ca 0.09 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3ihy h ILE 735 Cb 0.31 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3ihy h ILE 735 CO 0.00 0.34 -0.28 0.71 0.00 0.00 0.00 178.15 178.92 3ihy h THR 736 N 0.34 1.23 0.37 -0.27 1.35 -0.88 -2.41 112.91 112.63 3ihy h THR 736 Ca 0.08 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 3ihy h THR 736 Cb 0.53 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3ihy h THR 736 CO 0.03 0.32 -0.18 0.22 -0.25 0.00 0.00 175.52 175.66 3ihy h TYR 737 N 0.10 -0.45 -1.00 4.73 3.20 -1.25 0.57 116.97 122.87 3ihy h TYR 737 Ca 0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3ihy h TYR 737 Cb 0.56 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 3ihy h TYR 737 CO 0.00 -0.23 0.64 0.82 -1.64 0.00 0.00 178.16 177.75 3ihy h ILE 738 N -0.57 1.11 -0.00 1.81 2.04 -1.26 -1.86 117.51 118.78 3ihy h ILE 738 Ca -0.05 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3ihy h ILE 738 Cb 0.42 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ihy h ILE 738 CO 0.08 0.22 -0.15 0.18 0.00 0.00 0.00 178.15 178.48 3ihy n LEU 739 N -4.49 0.21 -1.89 1.44 4.77 -0.92 -4.61 117.00 111.50 3ihy n LEU 739 Ca 0.15 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.21 3ihy n LEU 739 Cb 0.16 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3ihy n LEU 739 CO 0.33 0.05 -0.22 0.61 -1.33 0.00 0.00 177.39 176.83 3ihy n GLY 740 N 1.44 0.25 3.69 -0.72 0.00 0.13 -1.11 105.19 108.87 3ihy n GLY 740 Ca 0.09 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3ihy n GLY 740 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s VAL 741 N -2.85 3.18 0.00 1.61 0.11 -0.84 -1.76 120.40 119.85 3ihy s VAL 741 Ca 0.00 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 3ihy s VAL 741 Cb 0.00 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 3ihy s VAL 741 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3ihy n GLY 742 N 3.89 3.33 3.72 6.54 0.00 0.27 -4.82 105.19 118.11 3ihy n GLY 742 Ca 0.15 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 3ihy n GLY 742 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihy n ASP 743 N -1.26 -3.44 -2.50 1.61 2.03 -1.26 -4.67 116.55 107.05 3ihy n ASP 743 Ca 0.00 -0.96 -0.34 0.00 0.52 0.00 0.00 54.79 54.02 3ihy n ASP 743 Cb 0.00 -3.55 0.05 0.00 -0.72 0.00 0.00 41.12 36.89 3ihy n ASP 743 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ihy n ARG 744 N -4.19 2.57 -0.95 -0.67 5.12 -1.26 -4.91 116.66 112.37 3ihy n ARG 744 Ca -0.18 -3.06 -0.29 0.00 -1.93 0.00 0.00 57.85 52.39 3ihy n ARG 744 Cb 0.63 -2.19 0.19 0.00 -1.16 0.00 0.00 32.46 29.94 3ihy n ARG 744 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 3ihy s HIS 745 N -3.44 1.87 -2.00 -1.55 -3.43 -1.26 -4.86 115.29 100.61 3ihy s HIS 745 Ca 0.56 1.14 0.01 0.00 -0.80 0.00 0.00 55.06 55.97 3ihy s HIS 745 Cb 0.44 -3.19 0.04 0.00 -1.43 0.00 0.00 32.58 28.44 3ihy s HIS 745 CO -0.18 -3.13 0.80 1.28 -2.00 0.00 0.00 174.74 171.51 3ihy n LEU 746 N -4.38 0.00 -0.21 5.38 4.77 -1.26 -1.17 117.00 120.14 3ihy n LEU 746 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 3ihy n LEU 746 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3ihy n LEU 746 CO 0.57 0.00 0.15 0.47 -1.33 0.00 0.00 177.39 177.24 3ihy n ASP 747 N -0.51 1.38 -0.57 -1.43 8.00 -1.26 -0.98 116.55 121.17 3ihy n ASP 747 Ca 0.01 -1.16 0.12 0.00 0.71 0.00 0.00 54.79 54.47 3ihy n ASP 747 Cb 0.00 0.72 0.23 0.00 -0.02 0.00 0.00 41.12 42.05 3ihy n ASP 747 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ihy n ASN 748 N -0.88 1.97 -4.31 -2.24 3.02 -0.31 -4.76 115.26 107.75 3ihy n ASN 748 Ca 0.06 -1.52 -0.38 0.00 -0.03 0.00 0.00 54.58 52.72 3ihy n ASN 748 Cb 0.39 0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.59 3ihy n ASN 748 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ihy s LEU 749 N -2.23 4.19 0.24 3.41 1.02 -1.25 -1.40 118.68 122.67 3ihy s LEU 749 Ca 0.27 -0.98 0.06 0.00 0.02 0.00 0.00 54.13 53.50 3ihy s LEU 749 Cb 0.20 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 3ihy s LEU 749 CO 0.43 -0.29 0.28 -0.76 0.02 0.00 0.00 176.35 176.03 3ihy s LEU 750 N 1.45 4.07 -0.01 1.79 1.02 -0.11 -0.84 118.68 126.03 3ihy s LEU 750 Ca 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 54.13 54.06 3ihy s LEU 750 Cb -0.19 -2.60 0.02 0.00 0.02 0.00 0.00 46.19 43.44 3ihy s LEU 750 CO 0.03 -0.05 0.02 -0.22 0.02 0.00 0.00 176.35 176.15 3ihy s LEU 751 N -3.90 1.49 0.22 1.79 2.96 -0.51 -1.19 118.68 119.55 3ihy s LEU 751 Ca 0.33 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3ihy s LEU 751 Cb -0.08 -0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 3ihy s LEU 751 CO 0.27 -0.07 0.19 0.42 -1.32 0.00 0.00 176.35 175.84 3ihy s THR 752 N 0.56 4.54 -0.97 3.68 -4.23 0.28 -0.94 115.64 118.56 3ihy s THR 752 Ca -0.05 -1.25 0.13 0.00 -1.18 0.00 0.00 61.69 59.34 3ihy s THR 752 Cb -0.07 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.47 3ihy s THR 752 CO -0.02 -0.26 1.40 0.29 -0.54 0.00 0.00 174.62 175.49 3ihy n LYS 753 N -0.91 0.01 -0.09 3.99 5.02 -1.26 -1.41 118.16 123.51 3ihy n LYS 753 Ca -0.08 0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3ihy n LYS 753 Cb 0.57 -1.52 0.28 0.00 -0.02 0.00 0.00 35.03 34.33 3ihy n LYS 753 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ihy n THR 754 N -1.54 0.23 0.00 -0.18 -2.24 -1.26 -4.74 114.28 104.55 3ihy n THR 754 Ca 0.03 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3ihy n THR 754 Cb 0.14 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3ihy n THR 754 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihy n GLY 755 N 1.32 0.58 3.65 3.38 0.00 -0.50 -4.56 105.19 109.05 3ihy n GLY 755 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ihy n GLY 755 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s LYS 756 N -0.82 4.02 -0.08 1.61 1.02 -1.25 -2.77 119.74 121.48 3ihy s LYS 756 Ca 0.00 2.34 -0.11 0.00 0.02 0.00 0.00 55.97 58.21 3ihy s LYS 756 Cb 0.00 -4.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 3ihy s LYS 756 CO 0.00 -1.06 0.28 -1.17 -0.92 0.00 0.00 175.35 172.48 3ihy s LEU 757 N 4.77 4.40 0.28 3.17 2.96 -1.26 -0.55 118.68 132.45 3ihy s LEU 757 Ca 0.83 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 55.39 3ihy s LEU 757 Cb -0.37 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 3ihy s LEU 757 CO 0.36 0.32 0.38 0.72 -1.32 0.00 0.00 176.35 176.81 3ihy s PHE 758 N -0.79 0.93 -0.01 5.38 -0.71 -0.33 -4.72 117.98 117.73 3ihy s PHE 758 Ca 0.19 -1.17 0.04 0.00 -1.04 0.00 0.00 56.93 54.95 3ihy s PHE 758 Cb -0.14 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 3ihy s PHE 758 CO 0.08 -0.96 -0.13 -1.01 -1.34 0.00 0.00 175.22 171.86 3ihy s HIS 759 N -3.62 2.73 0.22 3.49 3.76 -1.26 -0.94 115.29 119.68 3ihy s HIS 759 Ca 0.31 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 3ihy s HIS 759 Cb 0.01 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 3ihy s HIS 759 CO 0.16 0.27 -0.02 0.96 -0.85 0.00 0.00 174.74 175.26 3ihy s ILE 760 N -0.87 1.09 -0.13 0.60 -4.36 -0.49 -4.96 121.20 112.08 3ihy s ILE 760 Ca 0.14 -2.04 -0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3ihy s ILE 760 Cb -0.11 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3ihy s ILE 760 CO 0.04 -0.37 0.04 -0.67 0.24 0.00 0.00 174.94 174.21 3ihy n ASP 761 N -0.40 -3.71 -2.64 4.36 -0.08 -1.26 -4.74 116.55 108.08 3ihy n ASP 761 Ca -0.06 0.67 -0.32 0.00 -1.51 0.00 0.00 54.79 53.57 3ihy n ASP 761 Cb 0.63 -3.05 0.02 0.00 2.34 0.00 0.00 41.12 41.06 3ihy n ASP 761 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ihy n PHE 762 N 0.48 3.21 0.26 -0.67 3.72 -1.26 -4.63 117.46 118.58 3ihy n PHE 762 Ca -0.06 -2.76 0.15 0.00 -0.05 0.00 0.00 57.45 54.72 3ihy n PHE 762 Cb 0.10 -0.58 0.67 0.00 -0.94 0.00 0.00 39.48 38.73 3ihy n PHE 762 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ihy h GLY 763 N 2.73 0.00 -7.45 1.37 0.00 -1.93 -3.40 103.07 94.39 3ihy h GLY 763 Ca 0.42 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.13 3ihy h GLY 763 CO 1.11 0.00 -0.75 -0.19 0.00 0.00 0.00 176.54 176.71 3ihy s TYR 764 N -3.77 2.64 0.41 5.60 2.02 -1.26 -4.91 117.35 118.08 3ihy s TYR 764 Ca 0.00 -2.24 0.03 0.00 -0.37 0.00 0.00 57.07 54.49 3ihy s TYR 764 Cb 0.10 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3ihy s TYR 764 CO 0.57 -0.89 0.09 0.96 -1.57 0.00 0.00 175.55 174.71 3ihy s ILE 765 N 1.30 0.83 -1.41 2.71 -4.36 -1.26 0.94 121.20 119.94 3ihy s ILE 765 Ca 0.08 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.39 3ihy s ILE 765 Cb -0.18 -2.41 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3ihy s ILE 765 CO -0.15 0.00 0.97 0.18 0.24 0.00 0.00 174.94 176.18 3ihy n LEU 766 N -0.93 -3.02 0.00 0.37 4.77 -0.27 -2.31 117.00 115.61 3ihy n LEU 766 Ca -0.07 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3ihy n LEU 766 Cb 0.66 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 3ihy n LEU 766 CO 0.37 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3ihy n GLY 767 N -1.69 1.68 3.77 -0.72 0.00 -0.72 -4.98 105.19 102.53 3ihy n GLY 767 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3ihy n GLY 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihy s ARG 768 N -0.13 3.79 -0.09 1.61 0.52 -0.98 -4.97 118.95 118.70 3ihy s ARG 768 Ca 0.00 2.12 -0.23 0.00 -0.52 0.00 0.00 55.73 57.10 3ihy s ARG 768 Cb 0.00 -2.61 0.05 0.00 0.52 0.00 0.00 34.95 32.91 3ihy s ARG 768 CO 0.00 -0.63 0.54 0.34 0.02 0.00 0.00 175.30 175.57 3ihy s ASP 769 N -0.86 -0.50 0.47 0.23 2.15 -1.26 -3.78 116.67 113.11 3ihy s ASP 769 Ca 0.60 0.65 0.23 0.00 0.43 0.00 0.00 52.55 54.47 3ihy s ASP 769 Cb -0.37 0.65 1.14 0.00 -0.30 0.00 0.00 42.92 44.04 3ihy s ASP 769 CO 0.47 -0.44 1.95 1.55 -0.17 0.00 0.00 175.17 178.52 3ihy h PRO 770 N 3.90 0.00 -6.30 4.34 0.13 -1.97 -3.43 132.00 128.67 3ihy h PRO 770 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 3ihy h PRO 770 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ihy h PRO 770 CO 0.32 0.21 -0.31 0.21 -0.23 0.00 0.00 178.00 178.20 3ihy s LYS 771 N -4.05 3.50 0.34 0.86 2.20 -1.26 -5.10 119.74 116.23 3ihy s LYS 771 Ca -0.02 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.11 3ihy s LYS 771 Cb 0.13 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 3ihy s LYS 771 CO 0.63 0.34 0.64 -1.25 -0.36 0.00 0.00 175.35 175.35 3ihy s PRO 772 N -3.72 3.66 -1.13 4.03 0.04 -1.26 -4.47 135.00 132.16 3ihy s PRO 772 Ca 0.38 0.15 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 3ihy s PRO 772 Cb -0.10 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3ihy s PRO 772 CO 0.31 0.10 0.81 1.28 0.04 0.00 0.00 177.00 179.54 3ihy n LEU 773 N -1.19 -3.37 -4.81 -3.56 4.77 -1.26 -4.94 117.00 102.64 3ihy n LEU 773 Ca -0.00 -0.95 -0.35 0.00 -0.03 0.00 0.00 56.01 54.67 3ihy n LEU 773 Cb 0.54 -2.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.02 3ihy n LEU 773 CO 0.48 0.40 0.53 -2.16 -1.33 0.00 0.00 177.39 175.32 3ihy s PRO 774 N -5.69 4.29 0.82 3.23 0.04 -1.26 -5.04 135.00 131.40 3ihy s PRO 774 Ca 0.45 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 3ihy s PRO 774 Cb -0.14 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.86 3ihy s PRO 774 CO 0.84 0.23 1.09 -1.25 0.04 0.00 0.00 177.00 177.95 3ihy s PRO 775 N -2.44 1.84 0.45 0.56 0.04 -1.26 -4.91 135.00 129.27 3ihy s PRO 775 Ca 0.51 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.89 3ihy s PRO 775 Cb -0.14 -1.85 0.59 0.00 0.04 0.00 0.00 34.50 33.13 3ihy s PRO 775 CO 0.19 -1.91 1.69 -1.00 0.04 0.00 0.00 177.00 176.01 3ihy h PRO 776 N -1.32 0.00 -4.77 0.56 0.13 -2.00 -3.41 132.00 121.19 3ihy h PRO 776 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 3ihy h PRO 776 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 3ihy h PRO 776 CO 0.52 0.07 -0.84 1.41 -0.23 0.00 0.00 178.00 178.93 3ihy s MET 777 N -3.32 2.48 -0.52 0.86 -2.45 -1.26 -4.73 119.30 110.36 3ihy s MET 777 Ca 0.05 -0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 53.78 3ihy s MET 777 Cb 0.07 -2.27 0.14 0.00 1.25 0.00 0.00 34.83 34.02 3ihy s MET 777 CO 0.65 -0.24 0.35 0.15 1.05 0.00 0.00 175.02 176.97 3ihy s LYS 778 N 1.42 2.38 0.50 4.11 1.02 -1.26 -4.96 119.74 122.95 3ihy s LYS 778 Ca 0.04 -2.11 0.07 0.00 0.02 0.00 0.00 55.97 54.00 3ihy s LYS 778 Cb -0.13 -3.74 0.03 0.00 -0.52 0.00 0.00 37.83 33.46 3ihy s LYS 778 CO -0.11 -1.14 0.49 -0.51 -0.92 0.00 0.00 175.35 173.15 3ihy s LEU 779 N 0.69 3.10 -0.03 3.17 1.43 -1.26 -5.06 118.68 120.72 3ihy s LEU 779 Ca 0.11 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 3ihy s LEU 779 Cb -0.22 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3ihy s LEU 779 CO -0.03 -0.97 -0.17 0.20 0.23 0.00 0.00 176.35 175.60 3ihy s ASN 780 N -4.31 2.10 0.14 2.29 0.01 -1.26 -5.02 114.94 108.88 3ihy s ASN 780 Ca 0.47 -0.33 -0.25 0.00 -0.71 0.00 0.00 52.86 52.03 3ihy s ASN 780 Cb -0.04 -0.43 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 3ihy s ASN 780 CO 0.28 0.18 1.62 0.11 -1.51 0.00 0.00 177.10 177.78 3ihy h LYS 781 N 6.02 -0.34 0.00 -0.60 1.57 -1.97 -2.77 116.57 118.49 3ihy h LYS 781 Ca -0.34 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ihy h LYS 781 Cb 1.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3ihy h LYS 781 CO 0.48 -0.22 0.00 -0.85 -0.57 0.00 0.00 179.45 178.29 3ihy n GLU 782 N -5.39 0.06 0.06 3.15 0.00 -1.26 -1.96 120.64 115.30 3ihy n GLU 782 Ca -0.03 0.03 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 3ihy n GLU 782 Cb 0.31 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.10 3ihy n GLU 782 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 3ihy h MET 783 N 0.00 0.33 -0.78 3.44 4.05 -1.94 -2.49 114.93 117.55 3ihy h MET 783 Ca 0.00 -0.57 -0.04 0.00 -0.28 0.00 0.00 59.70 58.82 3ihy h MET 783 Cb 0.44 0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 3ihy h MET 783 CO 0.00 1.27 0.35 0.28 0.23 0.00 0.00 176.91 179.04 3ihy h VAL 784 N -0.30 1.25 -0.04 -5.77 2.07 -1.28 -2.38 116.25 109.80 3ihy h VAL 784 Ca -0.17 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3ihy h VAL 784 Cb 1.72 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3ihy h VAL 784 CO 0.17 0.31 -0.18 -0.33 0.02 0.00 0.00 177.57 177.55 3ihy h GLU 785 N 1.11 0.06 -0.72 1.57 5.08 -1.44 -2.19 114.58 118.05 3ihy h GLU 785 Ca 0.26 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 3ihy h GLU 785 Cb 0.15 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3ihy h GLU 785 CO -0.03 0.25 0.48 0.78 -1.00 0.00 0.00 179.01 179.49 3ihy h GLY 786 N 0.65 0.66 -0.27 -3.84 0.00 -0.94 -1.64 103.07 97.69 3ihy h GLY 786 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3ihy h GLY 786 CO 0.03 0.07 0.00 1.03 0.00 0.00 0.00 176.54 177.66 3ihy n MET 787 N -4.47 1.43 -0.87 4.80 2.81 -0.84 -4.67 117.12 115.30 3ihy n MET 787 Ca 0.13 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.37 3ihy n MET 787 Cb 0.50 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3ihy n MET 787 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ihy n GLY 788 N 0.98 0.77 0.00 3.03 0.00 -0.62 -4.50 105.19 104.85 3ihy n GLY 788 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3ihy n GLY 788 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihy n GLY 789 N -1.95 -1.27 0.18 -0.02 0.00 -1.12 -4.03 105.19 96.99 3ihy n GLY 789 Ca 0.00 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.56 3ihy n GLY 789 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihy h THR 790 N 0.00 0.00 -0.00 2.61 1.35 -1.94 -2.11 112.91 112.82 3ihy h THR 790 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3ihy h THR 790 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3ihy h THR 790 CO 0.00 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.05 3ihy n GLN 791 N -2.55 0.55 -1.79 4.72 1.13 -1.26 -4.88 117.38 113.31 3ihy n GLN 791 Ca 0.02 -0.25 -0.31 0.00 -1.94 0.00 0.00 57.00 54.51 3ihy n GLN 791 Cb 0.26 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.14 3ihy n GLN 791 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ihy s SER 792 N -2.62 5.96 0.23 1.08 1.04 -0.79 -4.96 113.70 113.63 3ihy s SER 792 Ca 0.23 1.46 0.06 0.00 0.48 0.00 0.00 55.95 58.18 3ihy s SER 792 Cb 0.19 -2.45 0.21 0.00 0.10 0.00 0.00 66.02 64.07 3ihy s SER 792 CO 0.53 -1.05 1.53 1.05 0.98 0.00 0.00 173.24 176.28 3ihy h GLU 793 N -0.45 0.14 -0.90 4.02 4.11 -1.89 -3.08 114.58 116.53 3ihy h GLU 793 Ca -0.44 -0.11 0.11 0.00 0.07 0.00 0.00 59.36 58.99 3ihy h GLU 793 Cb 1.20 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 3ihy h GLU 793 CO 0.61 0.77 0.58 1.96 0.07 0.00 0.00 179.01 183.00 3ihy h GLN 794 N 0.10 0.81 -0.02 1.06 7.50 -1.92 0.04 115.11 122.68 3ihy h GLN 794 Ca -0.01 -0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.00 3ihy h GLN 794 Cb 1.22 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 3ihy h GLN 794 CO 0.10 0.54 -0.38 -0.92 -1.50 0.00 0.00 178.83 176.66 3ihy h TYR 795 N 0.83 0.06 -0.03 2.96 3.20 -1.77 0.27 116.97 122.50 3ihy h TYR 795 Ca 0.43 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.12 3ihy h TYR 795 Cb 0.51 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3ihy h TYR 795 CO -0.00 0.43 -0.73 1.96 -1.64 0.00 0.00 178.16 178.18 3ihy h GLN 796 N 0.04 0.20 -0.25 1.82 1.08 -1.09 -2.32 115.11 114.58 3ihy h GLN 796 Ca 0.00 -0.17 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 3ihy h GLN 796 Cb 0.70 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3ihy h GLN 796 CO 0.05 0.84 -0.29 1.49 -0.95 0.00 0.00 178.83 179.97 3ihy h GLU 797 N 0.13 0.64 -0.42 1.46 4.57 -0.52 -1.36 114.58 119.08 3ihy h GLU 797 Ca -0.02 -0.35 0.08 0.00 -1.18 0.00 0.00 59.36 57.89 3ihy h GLU 797 Cb 1.29 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.83 3ihy h GLU 797 CO 0.11 0.96 -0.01 0.35 -1.18 0.00 0.00 179.01 179.24 3ihy h PHE 798 N 0.35 -0.04 -0.23 0.92 3.57 -0.38 -2.23 116.94 118.90 3ihy h PHE 798 Ca 0.03 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 3ihy h PHE 798 Cb 0.86 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3ihy h PHE 798 CO 0.08 -0.09 -0.42 0.00 -2.23 0.00 0.00 178.31 175.64 3ihy h ARG 799 N 0.10 0.55 -0.33 1.11 3.08 -1.32 -2.31 114.38 115.27 3ihy h ARG 799 Ca 0.21 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3ihy h ARG 799 Cb 0.30 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3ihy h ARG 799 CO -0.35 0.87 0.13 -0.22 -1.07 0.00 0.00 179.97 179.33 3ihy h LYS 800 N 0.45 0.28 -0.01 0.04 1.63 -1.03 -2.70 116.57 115.23 3ihy h LYS 800 Ca 0.04 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.67 3ihy h LYS 800 Cb 0.92 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 3ihy h LYS 800 CO 0.08 0.18 -0.69 1.96 -3.45 0.00 0.00 179.45 177.53 3ihy h GLN 801 N 0.28 0.06 -0.04 1.90 1.08 -1.20 -2.26 115.11 114.92 3ihy h GLN 801 Ca 0.14 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3ihy h GLN 801 Cb 0.10 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 3ihy h GLN 801 CO -0.13 0.73 -0.10 0.00 -0.95 0.00 0.00 178.83 178.37 3ihy h TYR 803 N -0.15 -0.03 0.01 0.00 0.05 -1.08 -0.70 116.97 115.06 3ihy h TYR 803 Ca 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3ihy h TYR 803 Cb 0.23 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3ihy h TYR 803 CO -0.19 -0.03 -0.01 1.79 -1.05 0.00 0.00 178.16 178.68 3ihy h THR 804 N -0.01 1.23 -0.89 -2.88 1.35 -1.43 -0.99 112.91 109.29 3ihy h THR 804 Ca 0.02 -0.75 0.24 0.00 -0.55 0.00 0.00 66.41 65.37 3ihy h THR 804 Cb 0.04 1.74 -0.14 0.00 -1.73 0.00 0.00 68.15 68.05 3ihy h THR 804 CO -0.04 0.19 0.26 0.00 -0.25 0.00 0.00 175.52 175.68 3ihy h ALA 805 N 0.64 1.33 0.35 6.62 0.00 -1.13 0.43 119.26 127.50 3ihy h ALA 805 Ca -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ihy h ALA 805 Cb 0.33 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ihy h ALA 805 CO 0.00 -0.47 -0.17 0.35 0.00 0.00 0.00 179.25 178.96 3ihy h PHE 806 N 0.22 -0.44 -0.56 0.00 3.57 -0.49 0.13 116.94 119.38 3ihy h PHE 806 Ca 0.57 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.16 3ihy h PHE 806 Cb 1.15 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.96 3ihy h PHE 806 CO -0.25 -0.15 0.11 -0.07 -2.23 0.00 0.00 178.31 175.72 3ihy h LEU 807 N -0.68 -0.01 0.45 0.59 3.38 -0.26 -0.75 115.31 118.03 3ihy h LEU 807 Ca -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 807 Cb 0.48 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3ihy h LEU 807 CO 0.08 0.01 -0.29 0.45 0.09 0.00 0.00 178.44 178.78 3ihy h HIS 808 N 0.24 -0.77 -0.89 1.13 3.86 -0.85 -2.99 115.15 114.90 3ihy h HIS 808 Ca 0.29 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 3ihy h HIS 808 Cb 0.41 0.28 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 3ihy h HIS 808 CO -0.24 -0.44 0.58 -0.07 0.86 0.00 0.00 177.93 178.61 3ihy h LEU 809 N -0.71 0.91 -1.97 2.43 3.38 -0.56 -1.33 115.31 117.46 3ihy h LEU 809 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ihy h LEU 809 Cb 0.59 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ihy h LEU 809 CO 0.04 0.60 -0.08 0.08 0.09 0.00 0.00 178.44 179.17 3ihy h ARG 810 N 1.04 0.00 0.00 1.13 0.11 -1.10 -1.49 114.38 114.08 3ihy h ARG 810 Ca 0.37 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.42 3ihy h ARG 810 Cb 0.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 3ihy h ARG 810 CO -0.13 0.08 -0.14 0.00 0.10 0.00 0.00 179.97 179.89 3ihy h ARG 811 N 0.00 0.00 -0.81 0.08 3.08 -1.09 -2.28 114.38 113.37 3ihy h ARG 811 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3ihy h ARG 811 Cb 0.33 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.13 3ihy h ARG 811 CO 0.01 0.14 0.42 0.66 -1.07 0.00 0.00 179.97 180.12 3ihy n TYR 812 N -3.56 2.53 -0.02 3.04 4.01 -0.56 -4.64 117.16 117.95 3ihy n TYR 812 Ca -0.01 -1.98 -0.01 0.00 -0.16 0.00 0.00 57.90 55.73 3ihy n TYR 812 Cb 0.27 -0.87 0.26 0.00 -0.31 0.00 0.00 39.34 38.70 3ihy n TYR 812 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ihy h SER 813 N 1.20 0.54 0.19 7.72 4.64 -1.43 -2.36 113.55 124.06 3ihy h SER 813 Ca 0.51 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 3ihy h SER 813 Cb 2.16 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 64.09 3ihy h SER 813 CO 0.97 0.62 -0.22 0.78 -0.87 0.00 0.00 176.83 178.11 3ihy h ASN 814 N 0.55 -0.59 -0.10 4.97 4.21 -1.84 -0.16 115.58 122.61 3ihy h ASN 814 Ca 0.11 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 3ihy h ASN 814 Cb 0.37 0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3ihy h ASN 814 CO 0.01 -0.32 0.04 0.25 -1.29 0.00 0.00 177.43 176.13 3ihy h LEU 815 N -0.45 0.14 -0.49 1.61 5.85 -1.79 0.21 115.31 120.38 3ihy h LEU 815 Ca 0.01 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3ihy h LEU 815 Cb 0.44 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3ihy h LEU 815 CO -0.07 0.27 0.20 0.40 -0.34 0.00 0.00 178.44 178.89 3ihy h ILE 816 N 0.00 0.87 -0.01 4.05 2.04 -1.39 -0.73 117.51 122.34 3ihy h ILE 816 Ca 0.03 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 3ihy h ILE 816 Cb 0.17 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3ihy h ILE 816 CO -0.00 0.07 -0.72 -0.07 0.00 0.00 0.00 178.15 177.43 3ihy h LEU 817 N 0.39 0.05 -0.07 1.44 3.38 -0.65 -1.84 115.31 118.01 3ihy h LEU 817 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ihy h LEU 817 Cb 0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ihy h LEU 817 CO -0.21 0.76 0.00 0.78 0.09 0.00 0.00 178.44 179.86 3ihy h ASN 818 N 0.03 0.13 -0.97 -0.43 2.35 -0.26 -2.18 115.58 114.24 3ihy h ASN 818 Ca -0.01 -0.29 0.18 0.00 -0.55 0.00 0.00 56.30 55.62 3ihy h ASN 818 Cb 1.28 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 39.51 3ihy h ASN 818 CO 0.10 0.38 0.57 -0.07 -1.65 0.00 0.00 177.43 176.77 3ihy h LEU 819 N -0.14 0.74 -1.27 1.61 3.38 -0.96 0.78 115.31 119.45 3ihy h LEU 819 Ca 0.02 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 819 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ihy h LEU 819 CO 0.00 0.28 -0.35 -0.26 0.09 0.00 0.00 178.44 178.20 3ihy h PHE 820 N 0.75 0.00 -0.63 1.13 0.04 -1.15 -3.09 116.94 113.99 3ihy h PHE 820 Ca 0.55 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.31 3ihy h PHE 820 Cb 0.82 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 3ihy h PHE 820 CO -0.02 0.35 0.36 0.77 -0.60 0.00 0.00 178.31 179.17 3ihy h SER 821 N 0.00 0.76 0.47 2.17 0.02 -0.20 -2.71 113.55 114.07 3ihy h SER 821 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3ihy h SER 821 Cb 0.68 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3ihy h SER 821 CO 0.05 0.60 0.00 0.18 -1.14 0.00 0.00 176.83 176.51 3ihy n LEU 822 N -4.40 0.00 -0.24 5.07 4.77 -1.06 -2.85 117.00 118.30 3ihy n LEU 822 Ca 0.06 0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 3ihy n LEU 822 Cb 0.08 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3ihy n LEU 822 CO 0.37 -0.11 0.31 0.80 -1.33 0.00 0.00 177.39 177.43 3ihy n MET 823 N -1.35 0.65 0.14 3.23 1.56 -1.03 -4.35 117.12 115.98 3ihy n MET 823 Ca 0.08 -0.79 0.13 0.00 -0.27 0.00 0.00 57.70 56.85 3ihy n MET 823 Cb 0.18 -1.09 0.45 0.00 2.15 0.00 0.00 33.22 34.92 3ihy n MET 823 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 3ihy h VAL 824 N 1.19 0.00 -0.38 1.12 -1.51 -1.50 -2.66 116.25 112.51 3ihy h VAL 824 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3ihy h VAL 824 Cb 0.27 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3ihy h VAL 824 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 3ihy n ASP 825 N -2.42 3.79 -4.90 4.19 10.43 -1.26 -4.69 116.55 121.69 3ihy n ASP 825 Ca 0.03 -2.55 -0.29 0.00 2.57 0.00 0.00 54.79 54.55 3ihy n ASP 825 Cb 0.34 -0.45 -0.03 0.00 1.84 0.00 0.00 41.12 42.83 3ihy n ASP 825 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ihy s ALA 826 N -2.01 3.52 -1.28 2.24 0.00 -1.00 -4.98 121.76 118.24 3ihy s ALA 826 Ca 0.38 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 3ihy s ALA 826 Cb 0.27 -2.45 0.17 0.00 0.00 0.00 0.00 23.12 21.11 3ihy s ALA 826 CO 0.14 0.06 1.88 0.09 0.00 0.00 0.00 175.76 177.94 3ihy n ASN 827 N -1.30 5.08 -4.01 0.00 3.02 -1.26 -4.34 115.26 112.46 3ihy n ASN 827 Ca -0.00 -3.11 -0.31 0.00 -0.03 0.00 0.00 54.58 51.13 3ihy n ASN 827 Cb 0.54 -1.48 -0.16 0.00 -0.61 0.00 0.00 39.78 38.08 3ihy n ASN 827 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ihy s ILE 828 N 0.39 1.73 0.20 2.41 1.01 -1.26 -4.90 121.20 120.78 3ihy s ILE 828 Ca 0.40 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 3ihy s ILE 828 Cb 0.10 -1.81 0.18 0.00 0.01 0.00 0.00 42.46 40.94 3ihy s ILE 828 CO 0.00 0.14 1.42 -2.65 0.00 0.00 0.00 174.94 173.85 3ihy n PRO 829 N 4.64 -0.24 0.22 2.79 -0.02 -1.26 -0.19 135.00 140.94 3ihy n PRO 829 Ca -0.15 1.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.82 3ihy n PRO 829 Cb 0.46 -2.09 0.49 0.00 -0.02 0.00 0.00 33.50 32.34 3ihy n PRO 829 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ihy h ASP 830 N 0.00 0.00 0.09 2.55 3.45 -1.94 -2.17 116.42 118.40 3ihy h ASP 830 Ca 0.29 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.62 3ihy h ASP 830 Cb 0.52 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3ihy h ASP 830 CO -0.90 0.27 -0.57 0.40 -1.57 0.00 0.00 179.24 176.86 3ihy h ILE 831 N 0.00 1.57 0.00 0.35 2.04 -1.41 -3.35 117.51 116.70 3ihy h ILE 831 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3ihy h ILE 831 Cb 0.63 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 3ihy h ILE 831 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.85 3ihy n ALA 832 N -2.64 1.15 -0.01 1.87 0.00 0.74 -1.69 120.51 119.93 3ihy n ALA 832 Ca -0.12 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 3ihy n ALA 832 Cb 0.71 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 3ihy n ALA 832 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ihy h LEU 833 N 0.00 0.24 -5.90 0.00 6.46 -1.55 -3.41 115.31 111.14 3ihy h LEU 833 Ca 0.00 -0.97 -0.52 0.00 -0.12 0.00 0.00 57.88 56.28 3ihy h LEU 833 Cb 0.06 -0.08 -0.35 0.00 -0.73 0.00 0.00 40.66 39.56 3ihy h LEU 833 CO 0.00 1.21 -1.01 -0.62 -0.62 0.00 0.00 178.44 177.40 3ihy n GLU 834 N -4.36 0.65 -0.24 1.25 1.02 -0.71 -5.03 120.64 113.23 3ihy n GLU 834 Ca -0.12 -3.01 0.03 0.00 -0.02 0.00 0.00 57.16 54.03 3ihy n GLU 834 Cb 0.66 -1.30 0.13 0.00 -0.02 0.00 0.00 31.44 30.91 3ihy n GLU 834 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ihy h PRO 835 N 4.20 0.08 0.00 3.49 0.11 -1.57 -1.76 132.00 136.55 3ihy h PRO 835 Ca 0.07 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3ihy h PRO 835 Cb 0.91 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3ihy h PRO 835 CO 0.43 0.06 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.63 3ihy h ASP 836 N 0.09 0.00 0.38 -2.05 3.32 -1.90 -3.00 116.42 113.26 3ihy h ASP 836 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3ihy h ASP 836 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3ihy h ASP 836 CO -0.63 0.20 -1.03 0.29 -1.72 0.00 0.00 179.24 176.35 3ihy n LYS 837 N -3.40 0.26 -0.05 3.56 5.02 -0.75 -4.63 118.16 118.18 3ihy n LYS 837 Ca -0.00 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 3ihy n LYS 837 Cb 0.41 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3ihy n LYS 837 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3ihy h THR 838 N 0.00 0.11 -0.93 -0.18 2.02 -1.20 -1.84 112.91 110.89 3ihy h THR 838 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3ihy h THR 838 Cb 0.71 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 3ihy h THR 838 CO 0.00 0.00 0.61 0.58 0.37 0.00 0.00 175.52 177.08 3ihy h VAL 839 N -0.44 1.20 0.00 3.16 2.07 -1.82 -1.96 116.25 118.46 3ihy h VAL 839 Ca 0.09 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3ihy h VAL 839 Cb 0.62 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3ihy h VAL 839 CO -0.48 0.22 -0.05 0.50 0.02 0.00 0.00 177.57 177.79 3ihy h LYS 840 N 1.22 0.00 -0.11 1.57 3.64 -1.70 -1.44 116.57 119.74 3ihy h LYS 840 Ca 0.36 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.53 3ihy h LYS 840 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3ihy h LYS 840 CO -0.10 0.05 -0.76 0.87 -2.27 0.00 0.00 179.45 177.25 3ihy h LYS 841 N 0.00 0.57 -0.03 1.90 1.57 -0.57 -2.00 116.57 118.02 3ihy h LYS 841 Ca -0.00 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3ihy h LYS 841 Cb 0.60 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3ihy h LYS 841 CO 0.01 1.10 -0.04 0.28 -0.57 0.00 0.00 179.45 180.23 3ihy h VAL 842 N 0.39 1.40 -0.91 0.50 2.07 -1.28 -3.36 116.25 115.06 3ihy h VAL 842 Ca -0.04 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.28 3ihy h VAL 842 Cb 1.35 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 33.24 3ihy h VAL 842 CO 0.14 0.33 0.58 -0.61 0.02 0.00 0.00 177.57 178.03 3ihy h GLN 843 N -0.42 1.05 -0.81 1.57 4.15 -1.28 -2.69 115.11 116.68 3ihy h GLN 843 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.37 3ihy h GLN 843 Cb 0.56 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3ihy h GLN 843 CO 0.01 0.69 0.54 0.22 -1.93 0.00 0.00 178.83 178.36 3ihy h ASP 844 N 1.08 0.92 -0.15 -0.69 1.82 -1.51 -2.21 116.42 115.68 3ihy h ASP 844 Ca 0.38 -0.02 0.04 0.00 -0.39 0.00 0.00 57.03 57.05 3ihy h ASP 844 Cb 0.11 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 3ihy h ASP 844 CO -0.15 0.66 0.14 0.11 -1.61 0.00 0.00 179.24 178.38 3ihy h LYS 845 N 1.08 0.00 0.00 0.28 1.79 -1.63 -1.76 116.57 116.34 3ihy h LYS 845 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3ihy h LYS 845 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3ihy h LYS 845 CO -0.07 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.49 3ihy n PHE 846 N -4.06 0.00 -4.13 -1.35 3.72 -0.83 -4.92 117.46 105.89 3ihy n PHE 846 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 3ihy n PHE 846 Cb 0.26 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 3ihy n PHE 846 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ihy n ARG 847 N -1.46 -2.16 0.30 -1.08 5.12 -0.66 -4.80 116.66 111.92 3ihy n ARG 847 Ca 0.08 0.25 0.20 0.00 -1.93 0.00 0.00 57.85 56.45 3ihy n ARG 847 Cb 0.29 -4.08 1.04 0.00 -1.16 0.00 0.00 32.46 28.55 3ihy n ARG 847 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3ihy h LEU 848 N -1.81 0.00 -1.39 0.55 3.38 -1.83 0.15 115.31 114.37 3ihy h LEU 848 Ca -0.64 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 3ihy h LEU 848 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3ihy h LEU 848 CO 0.67 0.00 -0.30 -2.24 0.09 0.00 0.00 178.44 176.65 3ihy h ASP 849 N 0.00 0.00 -3.67 -0.43 2.03 -1.96 -3.45 116.42 108.95 3ihy h ASP 849 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3ihy h ASP 849 Cb 0.09 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.57 3ihy h ASP 849 CO 0.00 0.30 0.07 -0.76 -1.03 0.00 0.00 179.24 177.82 3ihy s LEU 850 N -8.03 4.01 0.85 0.15 1.43 0.54 -5.09 118.68 112.55 3ihy s LEU 850 Ca -0.03 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 3ihy s LEU 850 Cb 0.14 -4.00 0.14 0.00 0.03 0.00 0.00 46.19 42.50 3ihy s LEU 850 CO 0.70 -0.24 1.19 -0.94 0.23 0.00 0.00 176.35 177.29 3ihy s SER 851 N -2.54 3.87 0.18 2.29 1.04 -1.26 -4.78 113.70 112.50 3ihy s SER 851 Ca 0.52 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 3ihy s SER 851 Cb -0.10 -0.58 0.09 0.00 0.10 0.00 0.00 66.02 65.53 3ihy s SER 851 CO 0.22 -2.24 1.84 0.44 0.98 0.00 0.00 173.24 174.48 3ihy h ASP 852 N -1.18 0.63 -0.39 7.02 5.19 -1.98 0.26 116.42 125.97 3ihy h ASP 852 Ca -0.43 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.03 3ihy h ASP 852 Cb 1.27 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.57 3ihy h ASP 852 CO 0.48 0.45 0.05 -0.08 -3.12 0.00 0.00 179.24 177.01 3ihy h GLU 853 N 0.75 0.16 0.00 3.56 4.81 -2.01 -0.53 114.58 121.33 3ihy h GLU 853 Ca 0.21 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3ihy h GLU 853 Cb -0.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3ihy h GLU 853 CO -0.06 0.10 -0.37 0.93 -0.73 0.00 0.00 179.01 178.88 3ihy h GLU 854 N 0.16 0.00 -0.25 1.92 5.08 -1.84 -3.10 114.58 116.55 3ihy h GLU 854 Ca 0.19 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 3ihy h GLU 854 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ihy h GLU 854 CO -0.28 0.30 -0.53 0.00 -1.00 0.00 0.00 179.01 177.51 3ihy h ALA 855 N 1.69 0.59 -0.18 3.43 0.00 0.16 -1.48 119.26 123.46 3ihy h ALA 855 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3ihy h ALA 855 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ihy h ALA 855 CO 0.04 0.68 0.09 0.28 0.00 0.00 0.00 179.25 180.34 3ihy h VAL 856 N 0.57 1.13 -0.05 0.00 2.07 -1.12 -2.40 116.25 116.45 3ihy h VAL 856 Ca 0.02 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ihy h VAL 856 Cb 1.11 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3ihy h VAL 856 CO 0.11 0.12 0.00 -0.74 0.02 0.00 0.00 177.57 177.09 3ihy h HIS 857 N 0.16 -0.00 -0.36 1.57 6.17 -1.49 -1.00 115.15 120.21 3ihy h HIS 857 Ca 0.06 0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.22 3ihy h HIS 857 Cb 0.12 0.01 -0.06 0.00 2.52 0.00 0.00 27.41 29.99 3ihy h HIS 857 CO -0.03 -0.00 -0.05 -0.92 0.71 0.00 0.00 177.93 177.64 3ihy h TYR 858 N 0.02 -0.11 -0.36 5.26 3.20 -1.27 -0.99 116.97 122.72 3ihy h TYR 858 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3ihy h TYR 858 Cb 0.03 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3ihy h TYR 858 CO -0.10 -0.12 0.15 1.98 -1.64 0.00 0.00 178.16 178.43 3ihy h MET 859 N 0.04 0.54 -0.89 1.82 4.05 -1.16 -1.57 114.93 117.77 3ihy h MET 859 Ca 0.18 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 3ihy h MET 859 Cb 0.26 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.90 3ihy h MET 859 CO -0.34 0.51 0.55 0.37 0.23 0.00 0.00 176.91 178.23 3ihy h GLN 860 N 0.44 0.95 0.03 0.39 4.15 -0.84 -1.63 115.11 118.61 3ihy h GLN 860 Ca 0.12 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.51 3ihy h GLN 860 Cb 0.17 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3ihy h GLN 860 CO -0.01 0.63 -0.16 0.77 -1.93 0.00 0.00 178.83 178.12 3ihy h SER 861 N 0.98 -0.46 -0.60 -0.69 0.02 -0.82 -2.28 113.55 109.69 3ihy h SER 861 Ca 0.40 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.52 3ihy h SER 861 Cb 0.22 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 3ihy h SER 861 CO -0.19 -0.23 0.15 -0.07 -1.14 0.00 0.00 176.83 175.35 3ihy h LEU 862 N -0.28 0.05 -0.56 5.07 3.38 -0.53 -0.29 115.31 122.14 3ihy h LEU 862 Ca 0.04 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ihy h LEU 862 Cb 0.33 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ihy h LEU 862 CO -0.13 0.03 0.11 0.40 0.09 0.00 0.00 178.44 178.94 3ihy h ILE 863 N 0.29 1.25 0.42 1.22 2.04 -1.27 -1.53 117.51 119.93 3ihy h ILE 863 Ca 0.31 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3ihy h ILE 863 Cb 0.45 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3ihy h ILE 863 CO -0.38 0.35 -0.20 0.44 0.00 0.00 0.00 178.15 178.35 3ihy h ASP 864 N 0.82 -0.48 -0.74 1.72 3.32 -0.88 0.18 116.42 120.36 3ihy h ASP 864 Ca 0.17 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.26 3ihy h ASP 864 Cb 0.39 0.12 -0.14 0.00 0.22 0.00 0.00 39.33 39.93 3ihy h ASP 864 CO 0.01 -0.14 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.79 3ihy h GLU 865 N -0.85 -0.05 0.21 3.56 5.08 -1.10 0.25 114.58 121.69 3ihy h GLU 865 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3ihy h GLU 865 Cb 0.55 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ihy h GLU 865 CO 0.09 -0.04 -0.10 0.77 -1.00 0.00 0.00 179.01 178.74 3ihy h SER 866 N -0.05 -0.24 -0.89 1.42 0.02 -1.19 -0.99 113.55 111.62 3ihy h SER 866 Ca 0.32 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3ihy h SER 866 Cb 0.57 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.12 3ihy h SER 866 CO -0.78 0.13 0.58 0.58 -1.14 0.00 0.00 176.83 176.20 3ihy h VAL 867 N -0.65 1.17 0.10 2.27 2.07 -0.43 -1.92 116.25 118.85 3ihy h VAL 867 Ca -0.03 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3ihy h VAL 867 Cb 0.46 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3ihy h VAL 867 CO 0.05 0.21 -0.16 -0.74 0.02 0.00 0.00 177.57 176.95 3ihy h HIS 868 N 1.15 -0.42 -0.89 1.57 6.17 -0.42 -1.76 115.15 120.54 3ihy h HIS 868 Ca 0.35 0.01 0.24 0.00 0.71 0.00 0.00 60.37 61.67 3ihy h HIS 868 Cb -0.03 0.17 -0.05 0.00 2.52 0.00 0.00 27.41 30.02 3ihy h HIS 868 CO -0.01 -0.24 0.62 0.00 0.71 0.00 0.00 177.93 179.00 3ihy h ALA 869 N 0.53 2.56 -0.28 5.26 0.00 -0.82 -0.18 119.26 126.34 3ihy h ALA 869 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ihy h ALA 869 Cb 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ihy h ALA 869 CO -0.09 -0.84 -0.13 -0.07 0.00 0.00 0.00 179.25 178.12 3ihy h LEU 870 N 0.17 0.61 -1.80 0.00 3.38 -0.55 -3.52 115.31 113.61 3ihy h LEU 870 Ca 0.45 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 870 Cb 1.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ihy h LEU 870 CO -0.09 0.88 0.00 0.49 0.09 0.00 0.00 178.44 179.81