#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihy n SER 282 N 0.00 -0.87 -0.06 6.12 3.41 -1.26 -5.15 113.62 115.81 3ihy n SER 282 Ca 0.00 -0.02 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 3ihy n SER 282 Cb 0.00 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3ihy n SER 282 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ihy n ASP 283 N 0.90 0.58 -0.11 4.04 9.92 -1.26 -4.75 116.55 125.87 3ihy n ASP 283 Ca 0.00 -0.79 -0.05 0.00 -0.53 0.00 0.00 54.79 53.42 3ihy n ASP 283 Cb 0.01 0.70 0.01 0.00 -0.64 0.00 0.00 41.12 41.20 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 0.31 -0.39 -0.61 1.24 3.86 -1.99 -2.88 115.15 114.69 3ihy h HIS 284 Ca 0.00 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 3ihy h HIS 284 Cb 0.14 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.78 3ihy h HIS 284 CO 0.00 -0.24 0.13 -0.25 0.86 0.00 0.00 177.93 178.43 3ihy n ASP 285 N -5.35 5.05 -4.59 2.45 9.92 -1.26 -4.62 116.55 118.15 3ihy n ASP 285 Ca 0.02 -3.11 -0.42 0.00 -0.53 0.00 0.00 54.79 50.75 3ihy n ASP 285 Cb 0.26 -0.70 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 3ihy n ASP 285 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3ihy s LEU 286 N -2.90 3.51 -0.16 0.64 2.96 -1.09 -4.98 118.68 116.65 3ihy s LEU 286 Ca 0.53 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.98 3ihy s LEU 286 Cb 0.42 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 3ihy s LEU 286 CO 0.14 -1.56 0.05 -0.54 -1.32 0.00 0.00 176.35 173.12 3ihy s LYS 287 N 5.20 3.76 0.36 1.98 1.02 -1.26 -4.55 119.74 126.24 3ihy s LYS 287 Ca 0.58 -0.35 -0.26 0.00 0.02 0.00 0.00 55.97 55.96 3ihy s LYS 287 Cb -0.12 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 3ihy s LYS 287 CO 0.30 0.38 1.06 -1.25 -0.92 0.00 0.00 175.35 174.91 3ihy s PRO 288 N 0.06 4.31 0.91 -1.68 0.04 -1.26 -5.07 135.00 132.31 3ihy s PRO 288 Ca 0.05 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 3ihy s PRO 288 Cb -0.12 -2.73 0.14 0.00 0.04 0.00 0.00 34.50 31.83 3ihy s PRO 288 CO 0.01 -0.03 1.09 -0.80 0.04 0.00 0.00 177.00 177.32 3ihy s ASN 289 N -1.39 3.32 0.12 6.66 0.01 -1.26 -4.71 114.94 117.69 3ihy s ASN 289 Ca 0.54 1.53 -0.28 0.00 -0.71 0.00 0.00 52.86 53.94 3ihy s ASN 289 Cb -0.24 -2.20 -0.07 0.00 0.41 0.00 0.00 41.25 39.14 3ihy s ASN 289 CO 0.31 -2.74 1.61 0.00 -1.51 0.00 0.00 177.10 174.77 3ihy h ALA 290 N -1.62 -0.53 -0.86 0.60 0.00 -1.98 0.54 119.26 115.40 3ihy h ALA 290 Ca -0.50 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.54 3ihy h ALA 290 Cb 1.28 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 3ihy h ALA 290 CO 0.54 -0.86 0.44 0.00 0.00 0.00 0.00 179.25 179.36 3ihy h ALA 291 N 0.14 1.32 -0.15 0.00 0.00 -1.99 -0.74 119.26 117.84 3ihy h ALA 291 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ihy h ALA 291 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ihy h ALA 291 CO -0.23 -0.13 0.00 1.15 0.00 0.00 0.00 179.25 180.04 3ihy h THR 292 N 0.59 1.25 -0.64 0.00 2.02 -1.58 -1.62 112.91 112.94 3ihy h THR 292 Ca 0.48 -0.83 0.16 0.00 0.77 0.00 0.00 66.41 66.99 3ihy h THR 292 Cb 0.72 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 3ihy h THR 292 CO -0.39 0.24 0.45 0.03 0.37 0.00 0.00 175.52 176.22 3ihy h ARG 293 N 0.00 0.14 -0.01 6.66 3.08 0.81 -1.27 114.38 123.79 3ihy h ARG 293 Ca 0.04 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 3ihy h ARG 293 Cb 0.37 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3ihy h ARG 293 CO 0.01 0.09 -0.70 -0.44 -1.07 0.00 0.00 179.97 177.86 3ihy h ASP 294 N 0.14 0.64 -0.25 7.04 5.19 -0.54 -2.01 116.42 126.63 3ihy h ASP 294 Ca 0.31 -0.74 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 3ihy h ASP 294 Cb 1.01 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 3ihy h ASP 294 CO -0.04 1.30 0.14 1.56 -3.12 0.00 0.00 179.24 179.07 3ihy h GLN 295 N 0.05 0.28 -0.49 3.56 4.20 -1.02 -2.00 115.11 119.68 3ihy h GLN 295 Ca -0.08 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3ihy h GLN 295 Cb 1.39 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 3ihy h GLN 295 CO 0.14 0.18 0.22 -0.07 -0.67 0.00 0.00 178.83 178.64 3ihy h LEU 296 N 0.28 0.62 -0.45 1.46 3.38 -1.25 0.18 115.31 119.53 3ihy h LEU 296 Ca 0.10 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3ihy h LEU 296 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3ihy h LEU 296 CO -0.06 0.54 -0.74 0.78 0.09 0.00 0.00 178.44 179.06 3ihy h ASN 297 N 0.69 0.00 -0.06 -0.43 4.21 -1.18 0.59 115.58 119.41 3ihy h ASN 297 Ca 0.17 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 3ihy h ASN 297 Cb 0.10 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3ihy h ASN 297 CO -0.02 0.74 0.02 0.40 -1.29 0.00 0.00 177.43 177.28 3ihy h ILE 298 N 0.00 1.14 -0.30 2.81 1.08 -0.68 -2.80 117.51 118.77 3ihy h ILE 298 Ca -0.01 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3ihy h ILE 298 Cb 1.35 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 3ihy h ILE 298 CO 0.10 0.12 0.11 0.40 -0.69 0.00 0.00 178.15 178.19 3ihy h ILE 299 N -0.07 1.18 0.00 -0.67 2.04 -0.69 -2.78 117.51 116.52 3ihy h ILE 299 Ca 0.02 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3ihy h ILE 299 Cb 0.17 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3ihy h ILE 299 CO -0.00 0.20 -0.11 0.58 0.00 0.00 0.00 178.15 178.82 3ihy h VAL 300 N 0.33 0.64 -0.08 1.67 2.07 -0.95 -0.93 116.25 119.00 3ihy h VAL 300 Ca 0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ihy h VAL 300 Cb 0.20 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3ihy h VAL 300 CO -0.01 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.15 3ihy n SER 301 N -3.77 1.16 -4.75 0.57 3.41 -1.06 -4.86 113.62 104.31 3ihy n SER 301 Ca -0.02 -1.53 -0.38 0.00 -0.26 0.00 0.00 58.87 56.68 3ihy n SER 301 Cb 0.21 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.90 2.41 0.88 7.33 2.02 -0.35 -5.00 117.35 122.73 3ihy s TYR 302 Ca 0.35 1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 58.36 3ihy s TYR 302 Cb 0.18 -3.68 0.12 0.00 -0.40 0.00 0.00 41.96 38.18 3ihy s TYR 302 CO 0.28 -2.55 1.10 -1.25 -1.57 0.00 0.00 175.55 171.56 3ihy s PRO 303 N -2.93 1.35 0.48 -1.71 0.04 -1.26 -4.92 135.00 126.04 3ihy s PRO 303 Ca 0.71 1.04 0.24 0.00 0.04 0.00 0.00 61.00 63.04 3ihy s PRO 303 Cb -0.37 -1.80 1.22 0.00 0.04 0.00 0.00 34.50 33.59 3ihy s PRO 303 CO 0.43 -2.24 1.98 -1.35 0.04 0.00 0.00 177.00 175.86 3ihy h PRO 304 N -1.56 0.00 0.06 0.56 0.11 -1.93 -2.61 132.00 126.64 3ihy h PRO 304 Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 3ihy h PRO 304 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ihy h PRO 304 CO 0.51 0.18 -1.30 1.79 -0.21 0.00 0.00 178.00 178.97 3ihy h THR 305 N 0.00 1.39 -3.66 -1.15 1.35 -1.95 -3.46 112.91 105.43 3ihy h THR 305 Ca -0.00 -3.07 -0.53 0.00 -0.55 0.00 0.00 66.41 62.26 3ihy h THR 305 Cb 0.48 2.79 0.08 0.00 -1.73 0.00 0.00 68.15 69.77 3ihy h THR 305 CO 0.02 0.85 0.78 -0.75 -0.25 0.00 0.00 175.52 176.17 3ihy s LYS 306 N -2.66 4.19 0.26 4.72 2.20 -0.98 -5.00 119.74 122.47 3ihy s LYS 306 Ca -0.04 2.46 0.06 0.00 -0.36 0.00 0.00 55.97 58.09 3ihy s LYS 306 Cb 0.08 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3ihy s LYS 306 CO 0.84 -0.48 0.34 -0.65 -0.36 0.00 0.00 175.35 175.05 3ihy s GLN 307 N -1.29 3.26 0.05 4.03 -1.52 -1.26 -4.94 119.66 117.98 3ihy s GLN 307 Ca 0.56 -0.88 -0.08 0.00 -1.95 0.00 0.00 55.36 53.01 3ihy s GLN 307 Cb -0.45 -2.79 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 3ihy s GLN 307 CO 0.54 0.35 0.33 -0.51 -0.25 0.00 0.00 175.29 175.75 3ihy s LEU 308 N -3.98 4.36 0.49 2.90 1.43 -1.26 -5.09 118.68 117.53 3ihy s LEU 308 Ca 0.36 0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 3ihy s LEU 308 Cb -0.09 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.21 3ihy s LEU 308 CO 0.28 0.21 1.01 0.42 0.23 0.00 0.00 176.35 178.50 3ihy s THR 309 N -1.36 4.06 0.39 5.49 -4.23 -1.26 -4.84 115.64 113.90 3ihy s THR 309 Ca 0.31 1.18 0.22 0.00 -1.18 0.00 0.00 61.69 62.22 3ihy s THR 309 Cb -0.13 -3.52 0.41 0.00 1.34 0.00 0.00 72.50 70.59 3ihy s THR 309 CO 0.18 -0.37 1.66 1.88 -0.54 0.00 0.00 174.62 177.42 3ihy h TYR 310 N 1.36 0.71 -0.07 3.99 0.05 -1.99 0.63 116.97 121.65 3ihy h TYR 310 Ca -0.48 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.18 3ihy h TYR 310 Cb 1.20 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.77 3ihy h TYR 310 CO 0.59 -0.18 -0.50 0.93 -1.05 0.00 0.00 178.16 177.95 3ihy h GLU 311 N 0.20 0.47 -0.33 4.88 5.08 -1.98 0.11 114.58 123.01 3ihy h GLU 311 Ca 0.76 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3ihy h GLU 311 Cb 2.08 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.41 3ihy h GLU 311 CO -0.49 1.04 0.19 0.93 -1.00 0.00 0.00 179.01 179.68 3ihy h GLU 312 N 0.02 0.44 0.29 2.33 5.08 -1.45 0.90 114.58 122.20 3ihy h GLU 312 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3ihy h GLU 312 Cb 1.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3ihy h GLU 312 CO 0.10 0.32 -0.14 1.96 -1.00 0.00 0.00 179.01 180.25 3ihy h GLN 313 N 0.45 -0.38 -0.78 2.33 4.20 -0.42 -0.78 115.11 119.74 3ihy h GLN 313 Ca 0.12 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.99 3ihy h GLN 313 Cb -0.01 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.77 3ihy h GLN 313 CO -0.02 -0.05 0.35 -0.44 -0.67 0.00 0.00 178.83 178.00 3ihy h ASP 314 N -0.74 0.38 -0.34 1.46 3.32 -0.72 0.47 116.42 120.25 3ihy h ASP 314 Ca -0.04 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ihy h ASP 314 Cb 0.50 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3ihy h ASP 314 CO 0.07 0.16 0.11 0.25 -1.72 0.00 0.00 179.24 178.11 3ihy h LEU 315 N 0.52 0.49 -0.67 1.55 5.85 -0.71 -0.55 115.31 121.80 3ihy h LEU 315 Ca 0.42 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3ihy h LEU 315 Cb 0.60 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ihy h LEU 315 CO -0.37 0.56 -0.01 0.58 -0.34 0.00 0.00 178.44 178.86 3ihy h VAL 316 N 0.40 1.26 0.81 1.05 2.07 -0.46 -2.67 116.25 118.72 3ihy h VAL 316 Ca 0.11 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3ihy h VAL 316 Cb 0.24 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3ihy h VAL 316 CO -0.00 0.41 -0.50 -0.25 0.02 0.00 0.00 177.57 177.25 3ihy h TRP 317 N 0.94 -1.33 -0.76 1.57 2.91 -0.73 -2.10 115.95 116.45 3ihy h TRP 317 Ca 0.17 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.32 3ihy h TRP 317 Cb 0.55 0.47 -0.14 0.00 -0.51 0.00 0.00 29.16 29.54 3ihy h TRP 317 CO 0.04 -0.75 -0.25 -0.22 -1.03 0.00 0.00 178.44 176.23 3ihy h LYS 318 N -1.23 -0.04 -0.99 2.65 3.64 -0.94 0.29 116.57 119.95 3ihy h LYS 318 Ca -0.11 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.81 3ihy h LYS 318 Cb 0.98 0.01 -0.28 0.00 -0.41 0.00 0.00 32.23 32.54 3ihy h LYS 318 CO 0.11 -0.03 0.59 1.19 -2.27 0.00 0.00 179.45 179.04 3ihy n PHE 319 N -5.49 2.81 -0.20 1.91 3.72 -1.02 -4.57 117.46 114.62 3ihy n PHE 319 Ca 0.09 -1.71 0.02 0.00 -0.05 0.00 0.00 57.45 55.81 3ihy n PHE 319 Cb 0.39 -0.88 0.28 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.02 0.90 -0.45 -1.08 0.11 0.31 -2.40 114.38 112.80 3ihy h ARG 320 Ca 0.57 -0.05 -0.13 0.00 0.10 0.00 0.00 59.98 60.46 3ihy h ARG 320 Cb 2.70 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 33.57 3ihy h ARG 320 CO 1.00 0.60 -0.24 1.88 0.10 0.00 0.00 179.97 183.31 3ihy h TYR 321 N 0.93 1.10 0.00 4.08 0.05 -1.81 -2.69 116.97 118.62 3ihy h TYR 321 Ca 0.28 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3ihy h TYR 321 Cb -0.02 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 3ihy h TYR 321 CO -0.00 1.09 -0.10 -0.92 -1.05 0.00 0.00 178.16 177.18 3ihy h TYR 322 N 0.79 0.00 0.00 4.88 3.20 -1.69 -3.07 116.97 121.08 3ihy h TYR 322 Ca 0.10 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3ihy h TYR 322 Cb 0.82 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3ihy h TYR 322 CO 0.06 0.10 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.00 3ihy h LEU 323 N 0.00 0.00 -1.91 2.82 3.38 -1.14 -3.33 115.31 115.13 3ihy h LEU 323 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3ihy h LEU 323 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ihy h LEU 323 CO 0.01 0.16 0.45 0.71 0.09 0.00 0.00 178.44 179.87 3ihy h THR 324 N 0.00 0.25 -0.25 0.22 1.35 -1.38 0.28 112.91 113.37 3ihy h THR 324 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 3ihy h THR 324 Cb 1.14 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3ihy h THR 324 CO 0.02 0.00 -0.01 -1.13 -0.25 0.00 0.00 175.52 174.15 3ihy h ASN 325 N 0.00 0.35 -3.57 5.36 -1.24 -1.79 -1.33 115.58 113.37 3ihy h ASN 325 Ca 0.15 -0.06 -0.71 0.00 0.71 0.00 0.00 56.30 56.40 3ihy h ASN 325 Cb 1.05 -0.09 -0.21 0.00 0.73 0.00 0.00 38.32 39.80 3ihy h ASN 325 CO -0.00 0.42 -0.45 -1.10 -1.29 0.00 0.00 177.43 175.01 3ihy s GLN 326 N -4.96 3.10 0.49 6.67 -0.21 0.98 -4.83 119.66 120.90 3ihy s GLN 326 Ca -0.07 -0.92 0.27 0.00 0.02 0.00 0.00 55.36 54.66 3ihy s GLN 326 Cb 0.16 -3.90 1.21 0.00 1.00 0.00 0.00 33.01 31.47 3ihy s GLN 326 CO 0.74 -0.66 1.95 1.05 -2.12 0.00 0.00 175.29 176.25 3ihy h GLU 327 N 8.57 0.00 -0.00 2.91 9.09 -1.80 -2.76 114.58 130.59 3ihy h GLU 327 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 3ihy h GLU 327 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3ihy h GLU 327 CO 0.70 0.16 -0.00 1.17 0.05 0.00 0.00 179.01 181.08 3ihy n LYS 328 N -3.42 0.94 -0.00 1.06 3.00 -1.26 -3.29 118.16 115.18 3ihy n LYS 328 Ca -0.01 -0.02 0.07 0.00 -0.00 0.00 0.00 58.31 58.36 3ihy n LYS 328 Cb 0.34 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.77 3ihy n LYS 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ihy n ALA 329 N -1.01 3.33 -0.29 3.14 0.00 -1.04 -4.69 120.51 119.96 3ihy n ALA 329 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 3ihy n ALA 329 Cb 0.13 -0.52 0.07 0.00 0.00 0.00 0.00 19.45 19.13 3ihy n ALA 329 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ihy h LEU 330 N 0.00 0.97 -1.13 0.00 5.85 -1.70 -0.98 115.31 118.32 3ihy h LEU 330 Ca 0.00 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3ihy h LEU 330 Cb 0.48 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ihy h LEU 330 CO 0.00 0.77 -0.06 0.71 -0.34 0.00 0.00 178.44 179.53 3ihy h THR 331 N 1.08 1.22 -0.36 1.05 1.35 -1.83 0.31 112.91 115.73 3ihy h THR 331 Ca 0.28 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 65.14 3ihy h THR 331 Cb 0.01 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 3ihy h THR 331 CO -0.05 0.31 -0.07 0.11 -0.25 0.00 0.00 175.52 175.57 3ihy h LYS 332 N 0.51 0.69 -0.08 4.72 1.79 -1.66 -2.37 116.57 120.17 3ihy h LYS 332 Ca 0.10 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 3ihy h LYS 332 Cb 0.42 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 3ihy h LYS 332 CO 0.02 0.84 -0.08 0.35 -1.08 0.00 0.00 179.45 179.50 3ihy h PHE 333 N 0.49 -0.19 -0.08 -1.35 3.57 -0.73 -2.55 116.94 116.10 3ihy h PHE 333 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ihy h PHE 333 Cb 0.58 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3ihy h PHE 333 CO 0.05 -0.12 0.06 -0.07 -2.23 0.00 0.00 178.31 176.00 3ihy h LEU 334 N -0.10 0.00 -1.70 0.59 3.38 -0.84 0.95 115.31 117.60 3ihy h LEU 334 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 334 Cb 0.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ihy h LEU 334 CO -0.14 0.00 -0.17 0.11 0.09 0.00 0.00 178.44 178.33 3ihy h LYS 335 N 0.00 0.00 0.02 1.13 1.57 -0.99 -3.15 116.57 115.15 3ihy h LYS 335 Ca 0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 3ihy h LYS 335 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3ihy h LYS 335 CO -0.00 0.17 -0.96 0.00 -0.57 0.00 0.00 179.45 178.10 3ihy s VAL 337 N -2.95 2.88 -0.60 0.00 1.01 -1.19 -4.96 120.40 114.58 3ihy s VAL 337 Ca -0.01 0.66 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 3ihy s VAL 337 Cb 0.10 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3ihy s VAL 337 CO 0.83 0.07 1.18 0.21 0.00 0.00 0.00 175.10 177.38 3ihy s ASN 338 N 0.87 6.40 0.28 3.32 3.84 -1.26 -4.88 114.94 123.51 3ihy s ASN 338 Ca 0.65 -0.03 0.26 0.00 0.21 0.00 0.00 52.86 53.95 3ihy s ASN 338 Cb -0.41 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.57 3ihy s ASN 338 CO 0.34 -1.50 1.75 -0.50 -2.79 0.00 0.00 177.10 174.40 3ihy h TRP 339 N 9.59 0.00 -0.25 0.43 4.06 -1.94 -2.98 115.95 124.86 3ihy h TRP 339 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 3ihy h TRP 339 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3ihy h TRP 339 CO 1.04 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.67 3ihy n ASP 340 N -2.45 2.28 -3.76 -3.49 8.00 -1.26 -4.61 116.55 111.26 3ihy n ASP 340 Ca 0.04 -2.21 -0.30 0.00 0.71 0.00 0.00 54.79 53.04 3ihy n ASP 340 Cb 0.39 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.03 2.36 0.44 0.64 0.20 -1.12 -5.04 118.68 115.12 3ihy s LEU 341 Ca 0.20 -1.60 0.22 0.00 0.69 0.00 0.00 54.13 53.64 3ihy s LEU 341 Cb 0.13 -0.91 1.19 0.00 -0.43 0.00 0.00 46.19 46.16 3ihy s LEU 341 CO 0.09 -0.40 1.82 -0.65 -0.29 0.00 0.00 176.35 176.92 3ihy h PRO 342 N 8.06 0.31 -0.22 0.98 0.11 -1.86 -1.90 132.00 137.48 3ihy h PRO 342 Ca -0.13 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 3ihy h PRO 342 Cb 1.02 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3ihy h PRO 342 CO 0.46 0.20 0.03 1.96 -0.21 0.00 0.00 178.00 180.44 3ihy h GLN 343 N 0.31 0.36 0.00 1.05 1.08 -1.96 -1.88 115.11 114.07 3ihy h GLN 343 Ca 0.53 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 3ihy h GLN 343 Cb 1.49 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 3ihy h GLN 343 CO -0.19 0.52 -0.83 1.05 -0.95 0.00 0.00 178.83 178.43 3ihy h GLU 344 N 0.15 0.00 -0.31 1.46 4.11 -1.67 -2.86 114.58 115.46 3ihy h GLU 344 Ca 0.06 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.54 3ihy h GLU 344 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3ihy h GLU 344 CO 0.01 0.00 0.03 0.00 0.07 0.00 0.00 179.01 179.12 3ihy h ALA 345 N 2.10 0.30 -0.30 1.06 0.00 -1.43 -1.52 119.26 119.48 3ihy h ALA 345 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ihy h ALA 345 Cb 0.95 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3ihy h ALA 345 CO 0.00 -0.38 0.07 -0.22 0.00 0.00 0.00 179.25 178.72 3ihy h LYS 346 N 0.13 0.18 0.00 0.00 1.63 -1.22 -2.18 116.57 115.10 3ihy h LYS 346 Ca 0.15 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3ihy h LYS 346 Cb 0.18 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3ihy h LYS 346 CO -0.22 0.12 -0.50 0.00 -3.45 0.00 0.00 179.45 175.39 3ihy n GLN 347 N -5.07 0.29 0.11 1.90 10.64 -1.09 -2.56 117.38 121.60 3ihy n GLN 347 Ca -0.00 0.12 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 3ihy n GLN 347 Cb 0.12 -1.71 -0.08 0.00 -0.86 0.00 0.00 30.24 27.71 3ihy n GLN 347 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ihy h ALA 348 N 2.50 -0.23 -0.55 2.61 0.00 -1.07 -0.94 119.26 121.59 3ihy h ALA 348 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ihy h ALA 348 Cb 0.75 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3ihy h ALA 348 CO 0.00 -0.56 0.36 -0.07 0.00 0.00 0.00 179.25 178.98 3ihy h LEU 349 N -0.35 0.52 -0.13 0.00 3.38 -1.44 0.44 115.31 117.72 3ihy h LEU 349 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ihy h LEU 349 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3ihy h LEU 349 CO 0.04 0.36 0.06 -0.33 0.09 0.00 0.00 178.44 178.66 3ihy h GLU 350 N 0.60 0.19 -0.63 1.13 5.08 -1.30 -2.54 114.58 117.11 3ihy h GLU 350 Ca 0.22 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3ihy h GLU 350 Cb 0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ihy h GLU 350 CO -0.06 0.24 0.04 -0.07 -1.00 0.00 0.00 179.01 178.16 3ihy h LEU 351 N 0.09 1.05 -0.74 1.33 3.38 0.02 -2.30 115.31 118.15 3ihy h LEU 351 Ca 0.05 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 57.90 3ihy h LEU 351 Cb 0.11 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 40.45 3ihy h LEU 351 CO -0.01 1.07 -0.08 0.25 0.09 0.00 0.00 178.44 179.77 3ihy h LEU 352 N 1.00 -0.50 -1.16 1.67 5.85 -0.02 0.12 115.31 122.27 3ihy h LEU 352 Ca 0.19 0.21 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 3ihy h LEU 352 Cb 0.51 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3ihy h LEU 352 CO 0.02 -0.21 -0.16 1.23 -0.34 0.00 0.00 178.44 178.98 3ihy h GLY 353 N 0.05 0.42 1.28 3.75 0.00 -0.99 -2.64 103.07 104.93 3ihy h GLY 353 Ca 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ihy h GLY 353 CO -0.70 0.27 -0.39 0.58 0.00 0.00 0.00 176.54 176.30 3ihy n LYS 354 N -4.20 0.04 -2.38 4.80 -0.00 0.13 -4.94 118.16 111.61 3ihy n LYS 354 Ca -0.00 0.02 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 3ihy n LYS 354 Cb 0.33 -1.53 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 3ihy n LYS 354 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 3ihy s TRP 355 N -3.02 3.18 0.06 5.58 -0.11 0.20 -4.96 118.94 119.86 3ihy s TRP 355 Ca 0.11 1.59 -0.37 0.00 1.22 0.00 0.00 56.10 58.65 3ihy s TRP 355 Cb 0.17 -3.32 -0.17 0.00 -1.50 0.00 0.00 33.47 28.66 3ihy s TRP 355 CO 0.66 -1.06 1.33 1.63 -4.62 0.00 0.00 176.95 174.89 3ihy n LYS 356 N 0.17 1.03 -2.75 5.86 4.76 -0.50 -4.86 118.16 121.87 3ihy n LYS 356 Ca 0.04 0.37 -0.41 0.00 -2.87 0.00 0.00 58.31 55.44 3ihy n LYS 356 Cb 0.47 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.61 3ihy n LYS 356 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ihy s PRO 357 N 0.55 4.75 0.54 1.97 0.05 -1.26 -4.52 135.00 137.08 3ihy s PRO 357 Ca 0.86 1.45 -0.18 0.00 0.05 0.00 0.00 61.00 63.18 3ihy s PRO 357 Cb -0.99 -3.34 -0.06 0.00 0.05 0.00 0.00 34.50 30.16 3ihy s PRO 357 CO 0.49 0.33 1.04 0.00 0.05 0.00 0.00 177.00 178.91 3ihy s MET 358 N -0.45 3.59 0.53 4.56 0.23 -1.26 -4.92 119.30 121.58 3ihy s MET 358 Ca 0.44 1.25 -0.21 0.00 -1.03 0.00 0.00 55.69 56.15 3ihy s MET 358 Cb -0.24 -2.07 -0.07 0.00 -1.53 0.00 0.00 34.83 30.92 3ihy s MET 358 CO 0.30 -0.60 1.07 -0.25 -2.03 0.00 0.00 175.02 173.52 3ihy n ASP 359 N -1.52 1.38 -0.34 -1.18 8.00 -1.26 -4.90 116.55 116.73 3ihy n ASP 359 Ca 0.09 0.92 0.06 0.00 0.71 0.00 0.00 54.79 56.57 3ihy n ASP 359 Cb 0.53 -1.42 0.22 0.00 -0.02 0.00 0.00 41.12 40.43 3ihy n ASP 359 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ihy h VAL 360 N 1.07 0.91 0.00 2.53 2.07 -1.95 -2.57 116.25 118.31 3ihy h VAL 360 Ca -0.48 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ihy h VAL 360 Cb 1.34 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3ihy h VAL 360 CO 0.54 0.17 -0.00 1.05 0.02 0.00 0.00 177.57 179.35 3ihy h GLU 361 N 0.93 0.00 0.00 1.57 9.09 -1.95 -2.65 114.58 121.56 3ihy h GLU 361 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3ihy h GLU 361 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3ihy h GLU 361 CO -0.27 0.00 -0.60 -0.25 0.05 0.00 0.00 179.01 177.94 3ihy n ASP 362 N -3.09 0.59 0.27 3.06 10.43 -0.97 -3.65 116.55 123.18 3ihy n ASP 362 Ca -0.00 -0.07 0.16 0.00 2.57 0.00 0.00 54.79 57.44 3ihy n ASP 362 Cb 0.24 0.26 0.63 0.00 1.84 0.00 0.00 41.12 44.09 3ihy n ASP 362 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3ihy h SER 363 N 0.00 0.00 -0.97 -2.24 4.64 -1.53 -2.76 113.55 110.68 3ihy h SER 363 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3ihy h SER 363 Cb 0.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.66 3ihy h SER 363 CO 0.00 0.04 0.63 -0.07 -0.87 0.00 0.00 176.83 176.56 3ihy h LEU 364 N 0.00 1.05 -1.54 5.97 3.38 -1.69 -1.91 115.31 120.56 3ihy h LEU 364 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 364 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ihy h LEU 364 CO 0.00 0.71 0.31 -0.08 0.09 0.00 0.00 178.44 179.47 3ihy h GLU 365 N 1.21 0.61 0.00 1.13 4.81 -1.73 -1.25 114.58 119.37 3ihy h GLU 365 Ca 0.39 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3ihy h GLU 365 Cb 0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3ihy h GLU 365 CO -0.13 0.40 0.00 -0.07 -0.73 0.00 0.00 179.01 178.48 3ihy h LEU 366 N 0.63 0.00 -1.35 1.64 4.07 -1.47 -2.90 115.31 115.93 3ihy h LEU 366 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3ihy h LEU 366 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3ihy h LEU 366 CO -0.04 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.50 3ihy n LEU 367 N -2.74 2.04 0.00 1.67 4.77 -0.47 -4.59 117.00 117.68 3ihy n LEU 367 Ca 0.02 -0.81 -0.05 0.00 -0.03 0.00 0.00 56.01 55.14 3ihy n LEU 367 Cb 0.34 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3ihy n LEU 367 CO 0.27 0.41 0.11 -1.54 -1.33 0.00 0.00 177.39 175.31 3ihy n SER 368 N 0.57 -0.63 0.22 -1.43 3.41 -1.10 -4.81 113.62 109.85 3ihy n SER 368 Ca 0.17 -0.82 0.10 0.00 -0.26 0.00 0.00 58.87 58.06 3ihy n SER 368 Cb 0.40 -0.16 0.40 0.00 -0.26 0.00 0.00 64.21 64.60 3ihy n SER 368 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ihy h SER 369 N -0.81 0.00 0.02 4.04 4.64 -1.90 -3.28 113.55 116.27 3ihy h SER 369 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ihy h SER 369 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ihy h SER 369 CO 0.04 0.21 0.00 1.41 -0.87 0.00 0.00 176.83 177.62 3ihy n HIS 370 N -3.30 0.53 -4.59 4.77 8.25 -1.26 -4.57 115.22 115.05 3ihy n HIS 370 Ca 0.01 0.27 -0.24 0.00 -0.26 0.00 0.00 57.72 57.50 3ihy n HIS 370 Cb 0.46 -0.94 -0.16 0.00 1.12 0.00 0.00 29.99 30.47 3ihy n HIS 370 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3ihy s TYR 371 N -3.39 1.40 0.00 4.41 2.02 -1.24 -4.99 117.35 115.57 3ihy s TYR 371 Ca -0.01 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3ihy s TYR 371 Cb 0.05 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3ihy s TYR 371 CO 0.15 -0.22 0.10 0.25 -1.57 0.00 0.00 175.55 174.26 3ihy n THR 372 N 3.60 0.00 -1.98 -0.71 -2.24 -1.26 -4.86 114.28 106.83 3ihy n THR 372 Ca -0.21 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 3ihy n THR 372 Cb 0.52 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3ihy n THR 372 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ihy s ASN 373 N -0.75 6.30 0.26 3.42 3.84 -1.26 -4.89 114.94 121.86 3ihy s ASN 373 Ca 0.00 1.86 -0.03 0.00 0.21 0.00 0.00 52.86 54.90 3ihy s ASN 373 Cb 0.00 -2.53 0.56 0.00 -0.55 0.00 0.00 41.25 38.73 3ihy s ASN 373 CO 0.00 -1.29 1.64 -0.65 -2.79 0.00 0.00 177.10 174.01 3ihy h PRO 374 N 11.16 0.15 -0.23 0.43 0.11 -2.00 -0.15 132.00 141.46 3ihy h PRO 374 Ca -0.37 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 3ihy h PRO 374 Cb 1.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3ihy h PRO 374 CO 0.98 0.10 -0.38 1.15 -0.21 0.00 0.00 178.00 179.64 3ihy h THR 375 N 0.15 1.30 -0.09 -1.15 2.02 -1.99 -1.40 112.91 111.76 3ihy h THR 375 Ca 0.48 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 3ihy h THR 375 Cb 0.89 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3ihy h THR 375 CO -0.66 0.48 -0.08 0.58 0.37 0.00 0.00 175.52 176.20 3ihy h VAL 376 N 0.44 1.36 -0.89 3.16 2.07 -1.46 0.13 116.25 121.06 3ihy h VAL 376 Ca 0.04 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3ihy h VAL 376 Cb 0.86 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 3ihy h VAL 376 CO 0.07 0.34 0.58 0.03 0.02 0.00 0.00 177.57 178.61 3ihy h ARG 377 N -0.21 0.96 -0.13 1.57 3.08 -1.19 -0.22 114.38 118.25 3ihy h ARG 377 Ca 0.01 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3ihy h ARG 377 Cb 0.59 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ihy h ARG 377 CO 0.02 0.64 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.44 3ihy h ARG 378 N 0.99 0.25 -0.42 0.04 2.43 -1.07 -1.62 114.38 114.98 3ihy h ARG 378 Ca 0.38 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 3ihy h ARG 378 Cb 0.22 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.66 3ihy h ARG 378 CO -0.14 0.54 -0.35 -0.92 -1.51 0.00 0.00 179.97 177.59 3ihy h TYR 379 N -0.07 -0.98 -0.66 2.20 3.20 -0.12 0.14 116.97 120.67 3ihy h TYR 379 Ca 0.03 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.09 3ihy h TYR 379 Cb 0.45 0.49 -0.13 0.00 1.54 0.00 0.00 36.73 39.09 3ihy h TYR 379 CO 0.05 -0.40 -0.21 0.00 -1.64 0.00 0.00 178.16 175.97 3ihy h ALA 380 N 0.70 0.34 -0.09 1.82 0.00 -0.86 0.35 119.26 121.52 3ihy h ALA 380 Ca 0.17 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3ihy h ALA 380 Cb 0.55 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3ihy h ALA 380 CO -0.56 -0.48 -0.22 0.28 0.00 0.00 0.00 179.25 178.27 3ihy h VAL 381 N -0.04 1.20 -0.55 0.00 2.07 -0.01 0.48 116.25 119.40 3ihy h VAL 381 Ca 0.31 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3ihy h VAL 381 Cb 0.52 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3ihy h VAL 381 CO -0.70 0.28 0.03 0.00 0.02 0.00 0.00 177.57 177.21 3ihy h ALA 382 N 1.63 1.02 -0.30 1.67 0.00 0.12 -0.77 119.26 122.63 3ihy h ALA 382 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3ihy h ALA 382 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ihy h ALA 382 CO 0.03 0.61 -0.27 0.00 0.00 0.00 0.00 179.25 179.63 3ihy h ARG 383 N 0.86 0.72 -0.73 0.00 2.47 0.11 -2.90 114.38 114.90 3ihy h ARG 383 Ca 0.17 -0.37 0.13 0.00 -1.26 0.00 0.00 59.98 58.65 3ihy h ARG 383 Cb 0.46 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.74 3ihy h ARG 383 CO 0.02 0.98 0.49 -0.07 0.56 0.00 0.00 179.97 181.95 3ihy h LEU 384 N 0.47 0.45 -2.14 3.04 3.38 -0.61 -0.20 115.31 119.70 3ihy h LEU 384 Ca 0.05 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ihy h LEU 384 Cb 0.83 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3ihy h LEU 384 CO 0.07 0.25 0.29 0.03 0.09 0.00 0.00 178.44 179.17 3ihy h ARG 385 N 0.49 0.00 -0.00 1.13 3.08 -0.93 -1.71 114.38 116.43 3ihy h ARG 385 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ihy h ARG 385 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3ihy h ARG 385 CO -0.12 0.00 -0.10 1.04 -1.07 0.00 0.00 179.97 179.72 3ihy n GLN 386 N -3.03 0.68 -3.33 0.04 1.13 -0.09 -4.85 117.38 107.93 3ihy n GLN 386 Ca -0.01 -0.22 -0.38 0.00 -1.94 0.00 0.00 57.00 54.44 3ihy n GLN 386 Cb 0.36 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.15 3ihy n GLN 386 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ihy s ALA 387 N -2.47 3.58 0.90 -1.58 0.00 -0.65 -5.07 121.76 116.46 3ihy s ALA 387 Ca 0.29 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 3ihy s ALA 387 Cb 0.20 -2.59 0.13 0.00 0.00 0.00 0.00 23.12 20.86 3ihy s ALA 387 CO 0.47 0.31 1.09 0.16 0.00 0.00 0.00 175.76 177.80 3ihy s ASP 388 N -0.62 3.49 0.31 0.00 1.47 -1.26 -4.76 116.67 115.30 3ihy s ASP 388 Ca 0.27 1.40 0.01 0.00 1.18 0.00 0.00 52.55 55.42 3ihy s ASP 388 Cb -0.18 -2.09 0.55 0.00 -0.34 0.00 0.00 42.92 40.87 3ihy s ASP 388 CO 0.16 -2.61 1.93 0.44 0.68 0.00 0.00 175.17 175.77 3ihy h ASP 389 N -1.53 0.87 0.26 2.11 3.32 -1.98 -0.49 116.42 118.98 3ihy h ASP 389 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ihy h ASP 389 Cb 1.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3ihy h ASP 389 CO 0.56 0.58 -0.28 -0.08 -1.72 0.00 0.00 179.24 178.29 3ihy h GLU 390 N 1.00 -0.56 -0.40 3.56 4.81 -2.00 -1.82 114.58 119.17 3ihy h GLU 390 Ca 0.36 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3ihy h GLU 390 Cb 0.14 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3ihy h GLU 390 CO -0.12 -0.38 0.22 -0.44 -0.73 0.00 0.00 179.01 177.56 3ihy h ASP 391 N -0.58 0.50 -0.64 1.04 3.32 -1.85 -2.99 116.42 115.21 3ihy h ASP 391 Ca -0.01 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ihy h ASP 391 Cb 0.54 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3ihy h ASP 391 CO -0.07 0.44 0.34 0.25 -1.72 0.00 0.00 179.24 178.48 3ihy h LEU 392 N 0.51 0.50 -0.68 1.55 5.85 -0.92 0.62 115.31 122.73 3ihy h LEU 392 Ca 0.14 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.00 3ihy h LEU 392 Cb 0.06 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 3ihy h LEU 392 CO -0.02 0.32 0.29 0.25 -0.34 0.00 0.00 178.44 178.94 3ihy h LEU 393 N 0.63 0.32 -2.00 2.25 5.85 -1.25 -1.58 115.31 119.54 3ihy h LEU 393 Ca 0.29 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.23 3ihy h LEU 393 Cb 0.19 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3ihy h LEU 393 CO -0.19 0.17 0.45 0.24 -0.34 0.00 0.00 178.44 178.77 3ihy h MET 394 N 0.48 0.00 -0.01 1.25 2.86 -0.73 -1.75 114.93 117.03 3ihy h MET 394 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3ihy h MET 394 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3ihy h MET 394 CO -0.32 0.00 -0.20 0.66 1.06 0.00 0.00 176.91 178.11 3ihy n TYR 395 N -3.96 0.00 -0.09 -0.22 4.01 -0.65 -4.77 117.16 111.48 3ihy n TYR 395 Ca 0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 3ihy n TYR 395 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 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 2.33 -0.03 -0.69 7.72 5.85 -0.67 -2.15 115.31 127.68 3ihy h LEU 396 Ca 0.00 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.91 3ihy h LEU 396 Cb 0.59 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.58 3ihy h LEU 396 CO 0.00 0.02 -0.27 0.25 -0.34 0.00 0.00 178.44 178.10 3ihy h LEU 397 N 0.15 -0.97 -0.77 2.25 5.85 -1.86 0.10 115.31 120.07 3ihy h LEU 397 Ca 0.15 0.23 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 3ihy h LEU 397 Cb 0.18 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3ihy h LEU 397 CO -0.22 -0.28 0.28 1.56 -0.34 0.00 0.00 178.44 179.44 3ihy h GLN 398 N -0.08 1.17 -0.62 1.25 7.50 -1.79 -2.42 115.11 120.12 3ihy h GLN 398 Ca 0.30 -0.23 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 3ihy h GLN 398 Cb 0.55 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 3ihy h GLN 398 CO -0.74 0.97 0.29 -0.07 -1.50 0.00 0.00 178.83 177.78 3ihy h LEU 399 N 1.13 0.79 -0.97 1.46 3.38 -0.38 0.90 115.31 121.62 3ihy h LEU 399 Ca 0.25 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3ihy h LEU 399 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ihy h LEU 399 CO -0.02 0.68 -0.04 0.58 0.09 0.00 0.00 178.44 179.73 3ihy h VAL 400 N 0.87 1.24 -0.07 1.22 2.07 -0.43 -2.48 116.25 118.67 3ihy h VAL 400 Ca 0.21 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3ihy h VAL 400 Cb 0.10 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ihy h VAL 400 CO -0.03 0.35 -0.37 1.56 0.02 0.00 0.00 177.57 179.10 3ihy h GLN 401 N 0.66 0.14 0.00 1.57 1.08 -0.79 -2.71 115.11 115.06 3ihy h GLN 401 Ca 0.13 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3ihy h GLN 401 Cb 0.47 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3ihy h GLN 401 CO 0.02 0.50 0.00 0.00 -0.95 0.00 0.00 178.83 178.40 3ihy h ALA 402 N 1.50 1.00 -0.87 3.87 0.00 -0.42 -2.63 119.26 121.71 3ihy h ALA 402 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.11 3ihy h ALA 402 Cb 0.72 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3ihy h ALA 402 CO 0.05 0.00 0.57 -0.07 0.00 0.00 0.00 179.25 179.81 3ihy h LEU 403 N 0.00 0.42 -1.90 0.00 3.38 -1.31 0.20 115.31 116.10 3ihy h LEU 403 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 403 Cb 0.53 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ihy h LEU 403 CO 0.00 0.18 0.37 0.11 0.09 0.00 0.00 178.44 179.19 3ihy h LYS 404 N 0.43 0.00 -0.43 1.13 1.57 -1.66 -1.56 116.57 116.05 3ihy h LYS 404 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3ihy h LYS 404 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3ihy h LYS 404 CO -0.17 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.37 3ihy n TYR 405 N -2.89 1.05 -2.65 -1.35 4.01 0.70 -4.99 117.16 111.04 3ihy n TYR 405 Ca -0.02 -0.68 -0.23 0.00 -0.16 0.00 0.00 57.90 56.81 3ihy n TYR 405 Cb 0.42 -0.22 0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3ihy n TYR 405 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ihy n GLU 406 N 0.36 -0.07 -3.01 -0.72 -0.58 -0.59 -4.94 120.64 111.09 3ihy n GLU 406 Ca 0.20 -2.81 -0.43 0.00 -0.42 0.00 0.00 57.16 53.71 3ihy n GLU 406 Cb 0.78 -0.65 -0.06 0.00 -0.57 0.00 0.00 31.44 30.95 3ihy n GLU 406 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ihy s ASN 407 N -5.12 6.41 0.28 1.62 3.84 -1.26 -4.95 114.94 115.76 3ihy s ASN 407 Ca 0.67 -0.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.64 3ihy s ASN 407 Cb -0.04 -2.37 0.40 0.00 -0.55 0.00 0.00 41.25 38.70 3ihy s ASN 407 CO 0.44 -0.83 1.82 -0.26 -2.79 0.00 0.00 177.10 175.48 3ihy h PHE 408 N 8.85 0.84 -0.75 0.43 -1.00 -1.96 -1.28 116.94 122.06 3ihy h PHE 408 Ca -0.25 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.41 3ihy h PHE 408 Cb 1.09 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.37 3ihy h PHE 408 CO 0.78 0.71 0.32 -0.44 -1.61 0.00 0.00 178.31 178.07 3ihy h ASP 409 N 0.78 1.02 -0.56 2.17 3.45 -1.99 -0.34 116.42 120.95 3ihy h ASP 409 Ca 0.17 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 3ihy h ASP 409 Cb 0.31 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3ihy h ASP 409 CO 0.00 0.90 0.27 0.44 -1.57 0.00 0.00 179.24 179.28 3ihy h ASP 410 N 1.08 0.73 0.22 6.45 3.32 -1.77 -1.39 116.42 125.06 3ihy h ASP 410 Ca 0.25 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3ihy h ASP 410 Cb 0.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ihy h ASP 410 CO -0.02 0.65 -0.11 0.40 -1.72 0.00 0.00 179.24 178.44 3ihy h ILE 411 N 0.75 0.83 -0.67 0.35 2.04 -0.93 -2.86 117.51 117.02 3ihy h ILE 411 Ca 0.19 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.94 3ihy h ILE 411 Cb 0.11 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 3ihy h ILE 411 CO -0.02 0.06 0.17 0.50 0.00 0.00 0.00 178.15 178.85 3ihy h LYS 412 N -0.42 0.29 0.00 2.37 3.64 -0.94 -2.98 116.57 118.53 3ihy h LYS 412 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ihy h LYS 412 Cb 0.32 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3ihy h LYS 412 CO 0.05 0.19 0.00 -0.91 -2.27 0.00 0.00 179.45 176.51 3ihy h ASN 413 N 0.30 0.00 0.02 4.20 2.35 -1.04 -0.75 115.58 120.66 3ihy h ASN 413 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3ihy h ASN 413 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3ihy h ASN 413 CO -0.43 0.00 0.00 1.23 -1.65 0.00 0.00 177.43 176.58 3ihy h GLY 414 N 3.16 0.00 0.00 2.83 0.00 -1.35 -3.51 103.07 104.19 3ihy h GLY 414 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ihy h GLY 414 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 3ihy n LEU 415 N -3.03 0.00 0.00 3.11 0.00 -0.29 -5.02 117.00 111.76 3ihy n LEU 415 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.98 3ihy n LEU 415 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.49 3ihy n LEU 415 CO 0.20 0.00 0.08 -1.84 0.00 0.00 0.00 177.39 175.83 3ihy n GLU 472 N -2.00 0.00 -2.70 1.96 0.28 -1.26 -4.49 120.64 112.42 3ihy n GLU 472 Ca 0.00 0.16 -0.42 0.00 -0.16 0.00 0.00 57.16 56.74 3ihy n GLU 472 Cb 0.00 -0.60 -0.03 0.00 1.43 0.00 0.00 31.44 32.24 3ihy n GLU 472 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3ihy s GLN 473 N -0.37 4.57 0.74 3.44 -0.21 -1.26 -5.06 119.66 121.51 3ihy s GLN 473 Ca 0.00 1.43 -0.06 0.00 0.02 0.00 0.00 55.36 56.75 3ihy s GLN 473 Cb 0.00 -3.45 0.10 0.00 1.00 0.00 0.00 33.01 30.66 3ihy s GLN 473 CO 0.00 -0.04 1.05 0.16 -2.12 0.00 0.00 175.29 174.34 3ihy s ASP 474 N 0.93 4.45 0.24 5.90 1.47 -1.26 -4.78 116.67 123.62 3ihy s ASP 474 Ca 0.52 0.21 -0.04 0.00 1.18 0.00 0.00 52.55 54.42 3ihy s ASP 474 Cb -0.21 -0.71 0.43 0.00 -0.34 0.00 0.00 42.92 42.08 3ihy s ASP 474 CO 0.28 -1.82 1.77 0.25 0.68 0.00 0.00 175.17 176.33 3ihy h LEU 475 N -0.72 0.47 -0.24 2.11 5.85 -1.97 -0.74 115.31 120.07 3ihy h LEU 475 Ca -0.42 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 3ihy h LEU 475 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 3ihy h LEU 475 CO 0.51 0.23 -0.40 0.00 -0.34 0.00 0.00 178.44 178.44 3ihy h THR 477 N 0.41 1.18 -0.24 0.00 2.02 -1.87 -2.64 112.91 111.77 3ihy h THR 477 Ca 0.02 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3ihy h THR 477 Cb 1.00 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3ihy h THR 477 CO 0.09 0.17 0.03 0.15 0.37 0.00 0.00 175.52 176.33 3ihy h PHE 478 N 0.90 0.44 -0.43 3.16 3.57 -0.75 -2.29 116.94 121.55 3ihy h PHE 478 Ca 0.24 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 3ihy h PHE 478 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3ihy h PHE 478 CO 0.00 0.55 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.56 3ihy h LEU 479 N 0.21 0.75 -0.86 0.59 3.38 -0.77 -1.58 115.31 117.03 3ihy h LEU 479 Ca 0.07 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3ihy h LEU 479 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3ihy h LEU 479 CO 0.01 0.88 -0.20 0.40 0.09 0.00 0.00 178.44 179.61 3ihy h ILE 480 N 0.60 1.26 0.13 1.22 2.04 -1.51 0.24 117.51 121.49 3ihy h ILE 480 Ca 0.12 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 3ihy h ILE 480 Cb 0.50 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3ihy h ILE 480 CO 0.02 0.41 -0.06 -1.28 0.00 0.00 0.00 178.15 177.24 3ihy h SER 481 N 0.56 -0.15 -0.77 1.72 0.87 -1.28 -0.05 113.55 114.46 3ihy h SER 481 Ca 0.09 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.40 3ihy h SER 481 Cb 0.65 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3ihy h SER 481 CO 0.05 0.23 0.50 0.03 -0.53 0.00 0.00 176.83 177.11 3ihy h ARG 482 N -0.55 0.86 -0.55 2.24 2.47 -1.21 -2.83 114.38 114.82 3ihy h ARG 482 Ca -0.02 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 3ihy h ARG 482 Cb 0.43 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3ihy h ARG 482 CO 0.03 0.57 0.17 0.00 0.56 0.00 0.00 179.97 181.30 3ihy h ALA 483 N 1.57 0.72 -0.14 0.04 0.00 -0.13 -2.88 119.26 118.44 3ihy h ALA 483 Ca 0.32 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3ihy h ALA 483 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ihy h ALA 483 CO -0.10 0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.67 3ihy n LYS 485 N -3.86 2.20 -3.45 0.00 5.02 -1.10 -4.71 118.16 112.27 3ihy n LYS 485 Ca 0.00 -2.03 -0.10 0.00 -2.02 0.00 0.00 58.31 54.16 3ihy n LYS 485 Cb 0.26 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.39 0.22 0.41 4.39 3.84 -0.95 -5.05 114.94 116.42 3ihy s ASN 486 Ca 0.31 0.39 0.19 0.00 0.21 0.00 0.00 52.86 53.96 3ihy s ASN 486 Cb 0.19 1.08 0.87 0.00 -0.55 0.00 0.00 41.25 42.85 3ihy s ASN 486 CO 0.26 -0.28 1.84 0.77 -2.79 0.00 0.00 177.10 176.90 3ihy h SER 487 N 8.20 0.00 -0.53 -4.21 4.64 -1.89 0.13 113.55 119.89 3ihy h SER 487 Ca -0.18 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 3ihy h SER 487 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3ihy h SER 487 CO 0.23 0.31 -0.02 0.74 -0.87 0.00 0.00 176.83 177.22 3ihy h THR 488 N 0.00 1.27 -0.41 2.95 2.02 -1.94 0.31 112.91 117.11 3ihy h THR 488 Ca -0.00 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 3ihy h THR 488 Cb 0.69 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3ihy h THR 488 CO 0.04 0.40 0.02 -0.07 0.37 0.00 0.00 175.52 176.29 3ihy h LEU 489 N 0.82 0.68 -0.58 2.58 3.38 -1.80 -2.61 115.31 117.78 3ihy h LEU 489 Ca 0.15 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3ihy h LEU 489 Cb 0.56 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3ihy h LEU 489 CO 0.03 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.61 3ihy h ALA 490 N 0.90 0.75 -0.04 1.53 0.00 -0.90 0.18 119.26 121.69 3ihy h ALA 490 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ihy h ALA 490 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ihy h ALA 490 CO 0.02 -0.16 0.02 -0.97 0.00 0.00 0.00 179.25 178.16 3ihy h ASN 491 N 0.43 0.05 0.45 0.00 -1.24 -0.62 -0.74 115.58 113.91 3ihy h ASN 491 Ca 0.28 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 57.10 3ihy h ASN 491 Cb 0.31 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3ihy h ASN 491 CO -0.27 0.09 -0.61 1.88 -1.29 0.00 0.00 177.43 177.23 3ihy h TYR 492 N -0.00 0.20 -0.19 0.67 0.05 -1.26 -2.47 116.97 113.97 3ihy h TYR 492 Ca 0.01 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ihy h TYR 492 Cb 0.05 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3ihy h TYR 492 CO -0.06 0.73 0.12 1.25 -1.05 0.00 0.00 178.16 179.15 3ihy h LEU 493 N 0.11 0.23 -0.07 3.88 5.85 -0.40 -1.23 115.31 123.68 3ihy h LEU 493 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ihy h LEU 493 Cb 1.11 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3ihy h LEU 493 CO 0.09 0.18 -0.11 0.22 -0.34 0.00 0.00 178.44 178.49 3ihy h TYR 494 N 0.25 -0.27 -0.06 1.25 5.03 -0.94 -1.65 116.97 120.58 3ihy h TYR 494 Ca 0.07 0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.21 3ihy h TYR 494 Cb -0.01 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 3ihy h TYR 494 CO -0.06 -0.16 -0.77 -1.49 -1.32 0.00 0.00 178.16 174.36 3ihy h TRP 495 N -0.15 0.51 -0.44 -3.82 4.06 -1.37 0.92 115.95 115.66 3ihy h TRP 495 Ca 0.06 -0.24 -0.07 0.00 2.06 0.00 0.00 58.89 60.71 3ihy h TRP 495 Cb 0.24 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3ihy h TRP 495 CO -0.20 1.00 0.01 1.88 -3.56 0.00 0.00 178.44 177.57 3ihy h TYR 496 N 0.25 0.84 -0.31 0.49 0.05 -1.18 -0.96 116.97 116.15 3ihy h TYR 496 Ca -0.04 -0.14 -0.16 0.00 0.05 0.00 0.00 58.73 58.44 3ihy h TYR 496 Cb 1.35 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.87 3ihy h TYR 496 CO 0.04 0.82 -0.46 0.28 -1.05 0.00 0.00 178.16 177.79 3ihy h VAL 497 N 0.62 1.28 -0.50 -2.88 2.07 -1.29 -2.98 116.25 112.57 3ihy h VAL 497 Ca 0.13 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 3ihy h VAL 497 Cb 0.48 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3ihy h VAL 497 CO 0.02 0.54 0.21 -0.29 0.02 0.00 0.00 177.57 178.07 3ihy h ILE 498 N 0.65 1.21 -0.08 4.57 6.09 -0.53 0.23 117.51 129.65 3ihy h ILE 498 Ca 0.04 -0.62 0.02 0.00 -1.37 0.00 0.00 64.86 62.92 3ihy h ILE 498 Cb 1.04 0.69 -0.00 0.00 0.47 0.00 0.00 36.82 39.02 3ihy h ILE 498 CO 0.10 0.24 0.06 0.58 -3.07 0.00 0.00 178.15 176.06 3ihy h VAL 499 N 0.66 0.96 0.03 2.19 2.07 -1.22 -0.50 116.25 120.44 3ihy h VAL 499 Ca 0.17 -0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.47 3ihy h VAL 499 Cb 0.17 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3ihy h VAL 499 CO -0.02 0.00 -0.97 -0.33 0.02 0.00 0.00 177.57 176.27 3ihy h GLU 500 N 0.00 0.20 0.00 1.57 4.39 -0.74 -2.73 114.58 117.27 3ihy h GLU 500 Ca 0.04 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3ihy h GLU 500 Cb 0.14 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ihy h GLU 500 CO -0.00 1.02 -0.21 0.00 -1.16 0.00 0.00 179.01 178.66 3ihy n GLU 502 N -4.28 2.44 -2.31 0.00 1.02 -0.63 -4.83 120.64 112.04 3ihy n GLU 502 Ca -0.02 -2.22 -0.38 0.00 -0.02 0.00 0.00 57.16 54.51 3ihy n GLU 502 Cb 0.27 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.21 5.78 0.42 1.62 -1.08 -1.04 -4.81 116.67 116.35 3ihy s ASP 503 Ca 0.35 -0.40 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 3ihy s ASP 503 Cb 0.20 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 40.01 3ihy s ASP 503 CO 0.27 -2.09 1.83 1.56 0.52 0.00 0.00 175.17 177.26 3ihy h GLN 504 N 11.75 0.00 -0.54 4.34 4.20 -1.91 -1.31 115.11 131.64 3ihy h GLN 504 Ca -0.14 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.68 3ihy h GLN 504 Cb 1.07 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.75 3ihy h GLN 504 CO 1.28 0.28 -0.11 0.22 -0.67 0.00 0.00 178.83 179.82 3ihy h ASP 505 N 0.00 -0.45 -0.16 1.46 -0.00 -1.99 -2.79 116.42 112.48 3ihy h ASP 505 Ca -0.00 0.16 -0.20 0.00 -0.00 0.00 0.00 57.03 56.98 3ihy h ASP 505 Cb 0.73 0.32 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 3ihy h ASP 505 CO 0.04 -0.16 -0.66 0.74 -0.00 0.00 0.00 179.24 179.19 3ihy h THR 506 N 0.02 1.29 -0.76 2.25 2.02 -1.62 -1.89 112.91 114.21 3ihy h THR 506 Ca 0.26 -1.87 0.18 0.00 0.77 0.00 0.00 66.41 65.76 3ihy h THR 506 Cb 0.41 1.82 -0.13 0.00 -1.74 0.00 0.00 68.15 68.51 3ihy h THR 506 CO -0.54 0.60 0.05 1.56 0.37 0.00 0.00 175.52 177.56 3ihy h GLN 507 N 0.57 0.13 0.00 6.66 4.20 -1.27 -0.25 115.11 125.15 3ihy h GLN 507 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ihy h GLN 507 Cb 1.27 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3ihy h GLN 507 CO 0.14 0.09 -1.02 1.04 -0.67 0.00 0.00 178.83 178.41 3ihy n GLN 508 N -5.31 0.24 -0.06 1.46 6.02 -1.07 -3.21 117.38 115.44 3ihy n GLN 508 Ca 0.14 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 57.05 3ihy n GLN 508 Cb 0.49 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 30.04 3ihy n GLN 508 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ihy n ARG 509 N -1.87 0.67 -3.15 -1.09 1.74 -0.72 -4.87 116.66 107.37 3ihy n ARG 509 Ca 0.02 0.07 0.04 0.00 -0.77 0.00 0.00 57.85 57.22 3ihy n ARG 509 Cb 0.42 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3ihy n ARG 509 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3ihy s ASP 510 N -5.60 -1.36 0.30 0.55 -4.77 -0.13 -5.03 116.67 100.64 3ihy s ASP 510 Ca -0.08 0.51 0.23 0.00 -3.30 0.00 0.00 52.55 49.91 3ihy s ASP 510 Cb 0.07 2.00 1.09 0.00 -1.09 0.00 0.00 42.92 44.99 3ihy s ASP 510 CO 0.83 -0.25 1.70 -2.65 0.70 0.00 0.00 175.17 175.50 3ihy n PRO 511 N 5.41 0.18 0.07 2.11 -0.02 -1.20 -2.74 135.00 138.80 3ihy n PRO 511 Ca 0.02 0.53 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 3ihy n PRO 511 Cb 0.53 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 3ihy n PRO 511 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ihy h LYS 512 N 0.00 0.58 -0.62 -0.52 1.57 -1.89 -0.59 116.57 115.10 3ihy h LYS 512 Ca 0.00 -0.68 -0.09 0.00 -1.87 0.00 0.00 60.65 58.01 3ihy h LYS 512 Cb 0.20 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3ihy h LYS 512 CO 0.00 1.28 0.03 1.15 -0.57 0.00 0.00 179.45 181.34 3ihy h THR 513 N 0.30 1.26 0.11 -0.16 2.02 -1.87 0.78 112.91 115.36 3ihy h THR 513 Ca -0.13 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 65.94 3ihy h THR 513 Cb 1.74 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3ihy h THR 513 CO 0.20 0.41 -0.13 -0.74 0.37 0.00 0.00 175.52 175.63 3ihy h HIS 514 N 0.98 -0.33 -0.50 3.16 -0.00 -1.57 0.33 115.15 117.22 3ihy h HIS 514 Ca 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.57 3ihy h HIS 514 Cb 0.52 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.03 3ihy h HIS 514 CO 0.04 -0.20 0.33 0.93 -0.00 0.00 0.00 177.93 179.03 3ihy h GLU 515 N -0.27 0.61 0.52 5.26 5.08 -0.97 -0.61 114.58 124.19 3ihy h GLU 515 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3ihy h GLU 515 Cb 0.27 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ihy h GLU 515 CO -0.05 0.41 -0.25 1.98 -1.00 0.00 0.00 179.01 180.10 3ihy h MET 516 N 0.63 -0.67 -0.86 2.33 4.05 -0.14 -2.32 114.93 117.94 3ihy h MET 516 Ca 0.19 0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.68 3ihy h MET 516 Cb -0.01 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 3ihy h MET 516 CO -0.04 -0.43 0.56 1.88 0.23 0.00 0.00 176.91 179.11 3ihy h TYR 517 N -0.75 1.06 -0.58 1.39 0.05 -0.02 0.17 116.97 118.28 3ihy h TYR 517 Ca -0.07 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.81 3ihy h TYR 517 Cb 0.56 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3ihy h TYR 517 CO -0.03 0.63 0.39 -0.07 -1.05 0.00 0.00 178.16 178.03 3ihy h LEU 518 N 1.11 0.45 -0.30 3.88 3.38 -1.11 0.31 115.31 123.02 3ihy h LEU 518 Ca 0.33 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 3ihy h LEU 518 Cb -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ihy h LEU 518 CO -0.10 0.28 -0.80 0.78 0.09 0.00 0.00 178.44 178.70 3ihy h ASN 519 N 0.50 0.56 -0.53 -0.43 2.35 -0.45 -1.72 115.58 115.86 3ihy h ASN 519 Ca 0.26 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3ihy h ASN 519 Cb 0.36 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ihy h ASN 519 CO -0.07 1.16 0.26 0.58 -1.65 0.00 0.00 177.43 177.70 3ihy h VAL 520 N 0.30 1.19 -0.04 2.81 2.07 0.36 -0.17 116.25 122.77 3ihy h VAL 520 Ca -0.05 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3ihy h VAL 520 Cb 1.40 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3ihy h VAL 520 CO 0.14 0.22 -0.00 -0.03 0.02 0.00 0.00 177.57 177.92 3ihy h MET 521 N 0.79 0.08 -0.93 1.57 1.85 -0.91 -1.81 114.93 115.57 3ihy h MET 521 Ca 0.20 -0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.30 3ihy h MET 521 Cb 0.09 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.06 3ihy h MET 521 CO -0.03 0.39 0.60 0.00 -0.40 0.00 0.00 176.91 177.47 3ihy h ARG 522 N -0.24 1.11 0.35 0.39 3.08 -0.68 0.16 114.38 118.54 3ihy h ARG 522 Ca 0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ihy h ARG 522 Cb 0.35 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3ihy h ARG 522 CO 0.00 0.73 -0.17 0.00 -1.07 0.00 0.00 179.97 179.47 3ihy h ARG 523 N 1.14 -0.45 -0.90 0.04 2.47 -1.04 0.30 114.38 115.94 3ihy h ARG 523 Ca 0.38 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.26 3ihy h ARG 523 Cb 0.06 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.39 3ihy h ARG 523 CO -0.14 -0.27 0.52 0.35 0.56 0.00 0.00 179.97 180.99 3ihy h PHE 524 N -0.50 0.93 -0.03 3.04 3.57 -0.70 0.21 116.94 123.46 3ihy h PHE 524 Ca -0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ihy h PHE 524 Cb 0.38 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 3ihy h PHE 524 CO -0.04 0.30 0.01 1.03 -2.23 0.00 0.00 178.31 177.38 3ihy h SER 525 N 0.78 0.04 -0.88 0.41 0.87 -0.11 -2.55 113.55 112.11 3ihy h SER 525 Ca 0.47 -0.19 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 3ihy h SER 525 Cb 0.56 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 3ihy h SER 525 CO -0.31 0.22 0.54 1.56 -0.53 0.00 0.00 176.83 178.31 3ihy h GLN 526 N -0.14 0.93 -0.15 2.24 1.08 -0.59 -1.84 115.11 116.65 3ihy h GLN 526 Ca 0.01 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3ihy h GLN 526 Cb 0.19 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3ihy h GLN 526 CO -0.00 0.61 0.08 0.00 -0.95 0.00 0.00 178.83 178.57 3ihy h ALA 527 N 1.44 0.19 -0.34 3.87 0.00 -0.69 -1.25 119.26 122.47 3ihy h ALA 527 Ca 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3ihy h ALA 527 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ihy h ALA 527 CO -0.20 -0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 178.68 3ihy h LEU 528 N 0.13 0.52 -0.70 0.00 3.38 -1.34 -1.99 115.31 115.31 3ihy h LEU 528 Ca 0.05 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ihy h LEU 528 Cb 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3ihy h LEU 528 CO -0.01 0.61 0.25 0.25 0.09 0.00 0.00 178.44 179.63 3ihy h LEU 529 N 0.52 0.98 -1.34 1.67 5.85 -0.60 -2.91 115.31 119.48 3ihy h LEU 529 Ca 0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ihy h LEU 529 Cb 0.38 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ihy h LEU 529 CO 0.02 0.90 0.00 0.29 -0.34 0.00 0.00 178.44 179.31 3ihy n LYS 530 N -4.35 1.92 -1.21 1.25 5.02 -0.54 -4.92 118.16 115.33 3ihy n LYS 530 Ca 0.05 -1.34 -0.27 0.00 -2.02 0.00 0.00 58.31 54.74 3ihy n LYS 530 Cb 0.19 -1.47 0.21 0.00 -0.02 0.00 0.00 35.03 33.95 3ihy n LYS 530 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ihy n GLY 531 N 1.24 -2.28 4.00 0.72 0.00 -0.78 -5.06 105.19 103.03 3ihy n GLY 531 Ca 0.17 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 3ihy n GLY 531 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ihy s ASP 532 N -4.59 4.28 0.25 1.61 -4.77 -1.26 -4.50 116.67 107.69 3ihy s ASP 532 Ca 0.65 -0.46 -0.06 0.00 -3.30 0.00 0.00 52.55 49.39 3ihy s ASP 532 Cb -0.05 0.13 0.28 0.00 -1.09 0.00 0.00 42.92 42.20 3ihy s ASP 532 CO 0.48 -1.92 1.92 0.50 0.70 0.00 0.00 175.17 176.85 3ihy h LYS 533 N -0.55 1.27 -0.36 2.11 1.63 -1.97 1.70 116.57 120.40 3ihy h LYS 533 Ca -0.35 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.31 3ihy h LYS 533 Cb 1.26 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 3ihy h LYS 533 CO 0.38 0.84 -0.06 0.66 -3.45 0.00 0.00 179.45 177.83 3ihy h SER 534 N 1.31 0.56 0.12 4.20 4.64 -1.99 -2.15 113.55 120.23 3ihy h SER 534 Ca 0.38 -0.13 -0.20 0.00 -0.47 0.00 0.00 61.79 61.36 3ihy h SER 534 Cb -0.09 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3ihy h SER 534 CO -0.10 0.67 -0.96 0.58 -0.87 0.00 0.00 176.83 176.16 3ihy h VAL 535 N 0.55 1.36 -0.22 0.95 2.07 -1.12 -3.40 116.25 116.44 3ihy h VAL 535 Ca 0.11 -2.47 0.05 0.00 0.82 0.00 0.00 66.70 65.21 3ihy h VAL 535 Cb 0.44 3.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 3ihy h VAL 535 CO 0.02 0.69 -0.08 -0.09 0.02 0.00 0.00 177.57 178.13 3ihy h ARG 536 N -0.43 -0.03 -0.89 1.57 9.65 0.25 -2.25 114.38 122.25 3ihy h ARG 536 Ca -0.19 0.00 0.26 0.00 -1.10 0.00 0.00 59.98 58.95 3ihy h ARG 536 Cb 1.62 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 30.17 3ihy h ARG 536 CO 0.10 -0.02 1.04 -0.24 2.80 0.00 0.00 179.97 183.65 3ihy h VAL 537 N -0.03 0.08 0.00 0.20 3.04 -1.60 -1.22 116.25 116.72 3ihy h VAL 537 Ca 0.11 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.72 3ihy h VAL 537 Cb 0.20 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 3ihy h VAL 537 CO -0.25 0.00 -0.40 -0.03 -1.01 0.00 0.00 177.57 175.88 3ihy h MET 538 N 0.00 0.00 0.35 4.17 -1.53 -1.62 -3.11 114.93 113.19 3ihy h MET 538 Ca 0.42 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.67 3ihy h MET 538 Cb 2.50 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.56 3ihy h MET 538 CO -0.00 0.40 -0.17 -0.09 0.14 0.00 0.00 176.91 177.19 3ihy h ARG 539 N 0.00 -0.45 0.00 0.39 2.43 -1.38 -2.51 114.38 112.85 3ihy h ARG 539 Ca -0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ihy h ARG 539 Cb 0.94 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3ihy h ARG 539 CO 0.05 -0.14 -0.06 0.66 -1.51 0.00 0.00 179.97 178.97 3ihy h SER 540 N -0.82 0.00 -0.64 -3.80 4.64 -1.76 -0.77 113.55 110.41 3ihy h SER 540 Ca -0.05 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3ihy h SER 540 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 3ihy h SER 540 CO 0.08 0.06 0.43 -0.07 -0.87 0.00 0.00 176.83 176.46 3ihy h LEU 541 N 0.00 0.72 0.09 5.97 3.38 -1.53 0.21 115.31 124.14 3ihy h LEU 541 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ihy h LEU 541 Cb 1.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ihy h LEU 541 CO 0.01 0.51 -0.04 -0.07 0.09 0.00 0.00 178.44 178.94 3ihy h LEU 542 N 0.84 -0.10 -0.91 1.67 3.38 -0.95 -1.66 115.31 117.58 3ihy h LEU 542 Ca 0.24 -0.43 0.25 0.00 0.09 0.00 0.00 57.88 58.03 3ihy h LEU 542 Cb -0.05 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 3ihy h LEU 542 CO -0.06 0.41 0.35 0.00 0.09 0.00 0.00 178.44 179.23 3ihy h ALA 543 N 0.15 1.46 -0.28 1.53 0.00 -1.07 -0.85 119.26 120.20 3ihy h ALA 543 Ca -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3ihy h ALA 543 Cb 0.53 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ihy h ALA 543 CO 0.02 -0.44 -0.36 0.00 0.00 0.00 0.00 179.25 178.46 3ihy h ALA 544 N 1.77 0.83 -0.72 0.00 0.00 -0.55 -1.95 119.26 118.64 3ihy h ALA 544 Ca 0.59 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ihy h ALA 544 Cb 1.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3ihy h ALA 544 CO -0.60 0.64 0.29 1.96 0.00 0.00 0.00 179.25 181.54 3ihy h GLN 545 N 0.54 1.06 -0.19 0.00 4.20 -0.19 -2.58 115.11 117.95 3ihy h GLN 545 Ca 0.05 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3ihy h GLN 545 Cb 0.88 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3ihy h GLN 545 CO 0.08 0.86 -0.04 0.37 -0.67 0.00 0.00 178.83 179.42 3ihy h GLN 546 N 1.04 0.36 -0.72 1.46 5.75 -1.06 -1.51 115.11 120.43 3ihy h GLN 546 Ca 0.24 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 3ihy h GLN 546 Cb 0.19 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 3ihy h GLN 546 CO -0.02 0.61 0.43 1.15 -2.65 0.00 0.00 178.83 178.35 3ihy h THR 547 N 0.08 1.01 -0.38 2.39 2.02 -1.32 0.76 112.91 117.47 3ihy h THR 547 Ca 0.05 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ihy h THR 547 Cb 0.47 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3ihy h THR 547 CO 0.02 0.15 0.25 0.15 0.37 0.00 0.00 175.52 176.45 3ihy h PHE 548 N 0.80 0.47 -0.26 3.16 3.04 -1.34 0.20 116.94 123.01 3ihy h PHE 548 Ca 0.31 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 62.10 3ihy h PHE 548 Cb 0.15 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 3ihy h PHE 548 CO -0.06 0.30 -0.53 0.28 -2.02 0.00 0.00 178.31 176.28 3ihy h VAL 549 N 0.51 1.29 -0.48 1.41 2.07 -0.15 0.15 116.25 121.05 3ihy h VAL 549 Ca 0.14 -1.74 0.09 0.00 0.82 0.00 0.00 66.70 66.01 3ihy h VAL 549 Cb -0.05 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3ihy h VAL 549 CO -0.04 0.56 0.05 0.44 0.02 0.00 0.00 177.57 178.60 3ihy h ASP 550 N 0.59 -0.11 -0.29 0.57 3.32 0.72 -1.68 116.42 119.54 3ihy h ASP 550 Ca 0.02 0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3ihy h ASP 550 Cb 1.11 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3ihy h ASP 550 CO 0.11 -0.02 -0.28 0.03 -1.72 0.00 0.00 179.24 177.36 3ihy h ARG 551 N 0.17 0.79 0.00 3.56 3.08 0.15 -2.18 114.38 119.95 3ihy h ARG 551 Ca 0.24 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3ihy h ARG 551 Cb 0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3ihy h ARG 551 CO -0.36 0.98 -0.25 1.25 -1.07 0.00 0.00 179.97 180.52 3ihy h LEU 552 N 0.68 0.00 -0.27 3.04 5.85 -0.49 -1.43 115.31 122.69 3ihy h LEU 552 Ca 0.08 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3ihy h LEU 552 Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3ihy h LEU 552 CO 0.07 0.25 -0.29 0.58 -0.34 0.00 0.00 178.44 178.71 3ihy h VAL 553 N 0.00 1.31 -0.69 1.05 2.07 -1.09 -1.85 116.25 117.03 3ihy h VAL 553 Ca -0.00 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3ihy h VAL 553 Cb 0.45 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3ihy h VAL 553 CO 0.03 0.46 0.37 -0.74 0.02 0.00 0.00 177.57 177.71 3ihy h HIS 554 N 0.40 0.95 -0.04 1.57 -0.00 -0.73 -0.44 115.15 116.87 3ihy h HIS 554 Ca 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3ihy h HIS 554 Cb 0.86 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3ihy h HIS 554 CO 0.07 0.67 0.00 1.25 -0.00 0.00 0.00 177.93 179.92 3ihy h LEU 555 N 0.97 0.06 -1.53 0.26 5.85 -1.26 -2.30 115.31 117.36 3ihy h LEU 555 Ca 0.24 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3ihy h LEU 555 Cb 0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ihy h LEU 555 CO -0.04 0.34 -0.24 0.24 -0.34 0.00 0.00 178.44 178.39 3ihy h MET 556 N -0.21 0.00 -0.12 1.25 2.86 -0.82 -1.78 114.93 116.10 3ihy h MET 556 Ca 0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3ihy h MET 556 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3ihy h MET 556 CO 0.00 0.24 -0.03 0.87 1.06 0.00 0.00 176.91 179.05 3ihy h LYS 557 N 0.00 0.23 -0.16 1.72 1.57 -0.97 -1.15 116.57 117.81 3ihy h LYS 557 Ca -0.00 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3ihy h LYS 557 Cb 0.47 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3ihy h LYS 557 CO 0.03 0.54 -0.18 0.00 -0.57 0.00 0.00 179.45 179.27 3ihy h ALA 558 N 0.69 -0.10 0.92 3.86 0.00 -1.15 -2.51 119.26 120.97 3ihy h ALA 558 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ihy h ALA 558 Cb 0.45 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ihy h ALA 558 CO 0.01 -0.63 -0.44 0.28 0.00 0.00 0.00 179.25 178.48 3ihy h VAL 559 N -0.22 0.00 -0.07 0.00 2.07 -1.37 -3.07 116.25 113.59 3ihy h VAL 559 Ca 0.11 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3ihy h VAL 559 Cb 0.37 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ihy h VAL 559 CO -0.28 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.09 3ihy h GLN 560 N -1.27 0.00 0.00 1.57 4.20 -1.21 -0.02 115.11 118.38 3ihy h GLN 560 Ca -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3ihy h GLN 560 Cb 0.94 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 3ihy h GLN 560 CO 0.21 0.00 -0.31 -0.09 -0.67 0.00 0.00 178.83 177.96 3ihy h ARG 561 N 0.00 0.00 -5.95 1.46 2.43 -1.45 -3.44 114.38 107.43 3ihy h ARG 561 Ca 0.03 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.66 3ihy h ARG 561 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3ihy h ARG 561 CO -0.00 0.01 1.46 -2.00 -1.51 0.00 0.00 179.97 177.94 3ihy s GLU 562 N -3.25 2.81 0.63 0.20 2.56 -0.02 -4.98 118.70 116.64 3ihy s GLU 562 Ca 0.05 1.50 -0.18 0.00 0.00 0.00 0.00 54.97 56.34 3ihy s GLU 562 Cb 0.06 -4.39 -0.03 0.00 2.00 0.00 0.00 34.13 31.77 3ihy s GLU 562 CO 0.71 -2.48 1.10 -1.13 -0.56 0.00 0.00 175.26 172.90 3ihy n SER 563 N 12.73 1.28 0.00 -1.70 3.41 -1.26 -4.76 113.62 123.32 3ihy n SER 563 Ca 0.29 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 3ihy n SER 563 Cb 0.49 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3ihy n SER 563 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihy n GLY 564 N 1.15 2.70 3.82 5.00 0.00 -1.26 -5.00 105.19 111.59 3ihy n GLY 564 Ca 0.15 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 1.40 -0.06 1.61 0.23 -1.26 -4.76 115.26 112.42 3ihy n ASN 565 Ca 0.00 -2.16 0.03 0.00 -0.53 0.00 0.00 54.58 51.92 3ihy n ASN 565 Cb 0.00 -0.62 0.37 0.00 -2.08 0.00 0.00 39.78 37.45 3ihy n ASN 565 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3ihy h ARG 566 N 0.00 0.65 -0.51 -3.83 2.43 -1.98 -0.89 114.38 110.26 3ihy h ARG 566 Ca -0.32 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 3ihy h ARG 566 Cb 1.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3ihy h ARG 566 CO 0.35 0.45 0.07 -0.22 -1.51 0.00 0.00 179.97 179.11 3ihy h LYS 567 N 0.67 0.84 -0.59 0.20 3.64 -1.99 -0.04 116.57 119.30 3ihy h LYS 567 Ca 0.18 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3ihy h LYS 567 Cb -0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3ihy h LYS 567 CO -0.04 0.84 0.34 0.87 -2.27 0.00 0.00 179.45 179.19 3ihy h LYS 568 N 0.72 0.82 -0.65 1.90 1.79 -1.67 -2.41 116.57 117.07 3ihy h LYS 568 Ca 0.15 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3ihy h LYS 568 Cb 0.41 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3ihy h LYS 568 CO 0.01 0.62 0.18 0.87 -1.08 0.00 0.00 179.45 180.05 3ihy h LYS 569 N 0.80 1.00 -0.72 3.15 1.57 -0.95 -0.34 116.57 121.09 3ihy h LYS 569 Ca 0.21 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3ihy h LYS 569 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3ihy h LYS 569 CO -0.04 0.87 0.19 -0.91 -0.57 0.00 0.00 179.45 178.99 3ihy h ASN 570 N 0.96 1.07 -0.49 0.86 2.35 -0.84 -0.72 115.58 118.77 3ihy h ASN 570 Ca 0.21 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3ihy h ASN 570 Cb 0.30 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3ihy h ASN 570 CO -0.00 1.02 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.40 3ihy h GLU 571 N 1.08 0.95 0.12 0.81 5.08 -0.96 -1.04 114.58 120.62 3ihy h GLU 571 Ca 0.23 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3ihy h GLU 571 Cb 0.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ihy h GLU 571 CO -0.00 0.98 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.84 3ihy h ARG 572 N 0.86 -0.16 -0.79 2.33 9.65 -0.88 0.13 114.38 125.52 3ihy h ARG 572 Ca 0.15 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.17 3ihy h ARG 572 Cb 0.60 0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 29.08 3ihy h ARG 572 CO 0.04 0.13 -0.36 1.25 2.80 0.00 0.00 179.97 183.83 3ihy h LEU 573 N -0.45 -1.28 -0.50 3.80 5.85 -1.05 0.25 115.31 121.93 3ihy h LEU 573 Ca -0.02 0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 3ihy h LEU 573 Cb 0.36 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3ihy h LEU 573 CO 0.03 -0.30 -0.70 1.56 -0.34 0.00 0.00 178.44 178.69 3ihy h GLN 574 N -0.08 0.27 0.06 1.25 4.20 -1.15 -1.41 115.11 118.25 3ihy h GLN 574 Ca 0.29 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3ihy h GLN 574 Cb 0.57 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3ihy h GLN 574 CO -0.83 0.86 -0.04 0.00 -0.67 0.00 0.00 178.83 178.15 3ihy h ALA 575 N 1.08 -0.09 -0.44 3.87 0.00 0.03 -0.36 119.26 123.35 3ihy h ALA 575 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ihy h ALA 575 Cb 1.25 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3ihy h ALA 575 CO 0.11 -0.56 0.16 -0.07 0.00 0.00 0.00 179.25 178.90 3ihy h LEU 576 N -0.10 0.62 -0.57 0.00 4.07 -0.45 -2.48 115.31 116.41 3ihy h LEU 576 Ca -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 3ihy h LEU 576 Cb 0.09 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 3ihy h LEU 576 CO -0.00 0.63 0.32 -0.07 -1.08 0.00 0.00 178.44 178.24 3ihy h LEU 577 N 0.57 0.70 -2.73 1.67 3.38 -1.19 -1.36 115.31 116.36 3ihy h LEU 577 Ca 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ihy h LEU 577 Cb 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ihy h LEU 577 CO -0.01 0.58 -0.00 1.23 0.09 0.00 0.00 178.44 180.33 3ihy h GLY 578 N 0.76 0.00 -7.62 0.83 0.00 -0.81 -3.33 103.07 92.91 3ihy h GLY 578 Ca 0.20 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.79 3ihy h GLY 578 CO -0.03 0.00 0.80 -0.35 0.00 0.00 0.00 176.54 176.95 3ihy s ASP 579 N -5.57 6.90 0.40 0.19 -1.08 -0.51 -4.84 116.67 112.16 3ihy s ASP 579 Ca -0.05 -2.70 0.21 0.00 -0.52 0.00 0.00 52.55 49.50 3ihy s ASP 579 Cb 0.14 -2.34 0.73 0.00 -1.46 0.00 0.00 42.92 39.99 3ihy s ASP 579 CO 0.47 -0.76 1.75 -1.13 0.52 0.00 0.00 175.17 176.02 3ihy h ASN 580 N 7.79 0.00 -0.14 -0.34 -1.24 -1.81 -0.82 115.58 119.02 3ihy h ASN 580 Ca 0.20 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 3ihy h ASN 580 Cb 0.96 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3ihy h ASN 580 CO 1.07 0.30 -0.35 -0.33 -1.29 0.00 0.00 177.43 176.83 3ihy h GLU 581 N 0.00 0.47 -0.52 6.67 5.08 -1.95 0.25 114.58 124.59 3ihy h GLU 581 Ca -0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 3ihy h GLU 581 Cb 0.87 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3ihy h GLU 581 CO 0.04 0.94 0.03 -0.22 -1.00 0.00 0.00 179.01 178.81 3ihy h LYS 582 N 0.08 0.90 0.00 2.33 3.64 -1.88 -3.41 116.57 118.23 3ihy h LYS 582 Ca -0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3ihy h LYS 582 Cb 0.96 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3ihy h LYS 582 CO 0.08 0.90 -0.94 -1.33 -2.27 0.00 0.00 179.45 175.89 3ihy n MET 583 N -4.33 1.86 -3.73 1.90 2.81 -0.34 -5.06 117.12 110.24 3ihy n MET 583 Ca 0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 3ihy n MET 583 Cb 0.30 -0.97 0.04 0.00 -0.71 0.00 0.00 33.22 31.88 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 -1.62 -2.06 0.00 7.83 4.13 0.89 -4.89 115.26 119.54 3ihy n ASN 584 Ca 0.00 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.47 3ihy n ASN 584 Cb 0.20 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.34 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 -4.37 0.00 -0.01 3.41 4.77 -1.26 -4.78 117.00 114.75 3ihy n LEU 585 Ca -0.22 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.45 3ihy n LEU 585 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 3ihy n LEU 585 CO 0.69 0.00 0.59 0.28 -1.33 0.00 0.00 177.39 177.62 3ihy h SER 586 N 0.00 -0.02 -2.97 -1.43 0.02 -1.76 0.42 113.55 107.81 3ihy h SER 586 Ca 0.00 -0.54 -0.33 0.00 -0.84 0.00 0.00 61.79 60.08 3ihy h SER 586 Cb 0.00 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.18 3ihy h SER 586 CO 0.00 0.54 -0.66 -1.81 -1.14 0.00 0.00 176.83 173.76 3ihy s ASP 587 N -5.74 1.19 0.15 3.07 1.01 -1.25 -3.63 116.67 111.46 3ihy s ASP 587 Ca -0.16 0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.19 3ihy s ASP 587 Cb 0.01 0.18 -0.04 0.00 1.01 0.00 0.00 42.92 44.08 3ihy s ASP 587 CO 0.66 -0.28 -0.12 0.68 0.21 0.00 0.00 175.17 176.32 3ihy s VAL 588 N 2.27 1.31 0.17 -1.27 -7.23 0.42 -4.96 120.40 111.11 3ihy s VAL 588 Ca 0.04 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 57.92 3ihy s VAL 588 Cb -0.13 -1.78 -0.11 0.00 0.56 0.00 0.00 36.38 34.92 3ihy s VAL 588 CO -0.07 -0.62 1.76 -1.61 -0.31 0.00 0.00 175.10 174.25 3ihy s GLU 589 N -3.39 4.13 -0.06 4.82 0.41 -1.26 -4.56 118.70 118.78 3ihy s GLU 589 Ca 0.15 2.59 -0.08 0.00 -0.41 0.00 0.00 54.97 57.22 3ihy s GLU 589 Cb -0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 3ihy s GLU 589 CO 0.02 -0.79 0.26 1.28 -0.49 0.00 0.00 175.26 175.55 3ihy n LEU 590 N 4.73 0.15 -3.97 1.80 4.32 -1.26 -4.92 117.00 117.86 3ihy n LEU 590 Ca 0.17 0.22 -0.09 0.00 -0.02 0.00 0.00 56.01 56.29 3ihy n LEU 590 Cb 0.37 -0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 41.91 3ihy n LEU 590 CO 0.65 -0.22 -0.26 0.27 -1.22 0.00 0.00 177.39 176.61 3ihy s ILE 591 N 0.37 0.16 0.15 -0.08 -4.36 -0.96 -4.96 121.20 111.52 3ihy s ILE 591 Ca 0.19 -1.29 -0.29 0.00 -0.26 0.00 0.00 60.65 59.00 3ihy s ILE 591 Cb -0.26 -1.06 -0.07 0.00 1.25 0.00 0.00 42.46 42.32 3ihy s ILE 591 CO 0.14 -0.71 0.90 -2.16 0.24 0.00 0.00 174.94 173.35 3ihy s PRO 592 N -3.01 4.71 -0.20 0.37 0.05 -1.26 -0.24 135.00 135.41 3ihy s PRO 592 Ca -0.02 1.37 -0.29 0.00 0.05 0.00 0.00 61.00 62.12 3ihy s PRO 592 Cb 0.01 -3.33 -0.03 0.00 0.05 0.00 0.00 34.50 31.20 3ihy s PRO 592 CO -0.07 0.38 1.69 -1.17 0.05 0.00 0.00 177.00 177.88 3ihy s LEU 593 N -0.56 3.89 0.22 -3.56 2.96 -0.42 -4.88 118.68 116.33 3ihy s LEU 593 Ca 0.42 1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 55.97 3ihy s LEU 593 Cb -0.24 -3.53 0.28 0.00 0.50 0.00 0.00 46.19 43.20 3ihy s LEU 593 CO 0.29 -1.31 1.83 -0.65 -1.32 0.00 0.00 176.35 175.19 3ihy h PRO 594 N 11.10 0.80 -1.10 0.98 0.11 -1.93 -1.38 132.00 140.57 3ihy h PRO 594 Ca -0.35 -0.05 0.37 0.00 0.11 0.00 0.00 66.00 66.07 3ihy h PRO 594 Cb 1.17 -0.18 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 3ihy h PRO 594 CO 0.99 0.53 0.66 1.25 -0.21 0.00 0.00 178.00 181.22 3ihy h LEU 595 N 0.82 0.40 -5.67 2.35 5.85 -1.94 -3.34 115.31 113.78 3ihy h LEU 595 Ca 0.33 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 59.10 3ihy h LEU 595 Cb 0.17 0.14 -0.19 0.00 0.37 0.00 0.00 40.66 41.15 3ihy h LEU 595 CO -0.17 -0.18 -0.50 -0.70 -0.34 0.00 0.00 178.44 176.55 3ihy s GLU 596 N -5.51 0.91 0.31 1.25 2.12 -0.57 -4.77 118.70 112.43 3ihy s GLU 596 Ca -0.09 -0.66 0.19 0.00 0.36 0.00 0.00 54.97 54.77 3ihy s GLU 596 Cb 0.30 -0.06 1.06 0.00 0.26 0.00 0.00 34.13 35.68 3ihy s GLU 596 CO 0.80 -1.25 1.57 -2.30 -0.54 0.00 0.00 175.26 173.54 3ihy n PRO 597 N 3.81 0.13 0.20 4.30 -0.02 -0.87 -1.55 135.00 140.98 3ihy n PRO 597 Ca 0.14 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 3ihy n PRO 597 Cb 0.55 -1.98 0.50 0.00 -0.02 0.00 0.00 33.50 32.55 3ihy n PRO 597 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ihy h GLN 598 N 0.00 0.00 -5.95 -0.52 7.50 -1.96 -3.40 115.11 110.78 3ihy h GLN 598 Ca 0.00 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.53 3ihy h GLN 598 Cb 0.12 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.59 3ihy h GLN 598 CO 0.00 0.00 -0.25 0.08 -1.50 0.00 0.00 178.83 177.16 3ihy s VAL 599 N -3.39 5.12 -0.03 -0.54 1.01 -0.60 -5.04 120.40 116.93 3ihy s VAL 599 Ca 0.05 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3ihy s VAL 599 Cb 0.09 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3ihy s VAL 599 CO 0.53 0.57 -0.24 -0.54 0.00 0.00 0.00 175.10 175.42 3ihy s LYS 600 N -1.11 2.08 0.12 2.72 1.02 -1.26 -1.30 119.74 122.01 3ihy s LYS 600 Ca 0.23 -0.87 0.09 0.00 0.02 0.00 0.00 55.97 55.44 3ihy s LYS 600 Cb -0.16 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3ihy s LYS 600 CO 0.12 0.48 -0.21 0.96 -0.92 0.00 0.00 175.35 175.78 3ihy s ILE 601 N -0.46 1.81 -0.27 2.17 -5.25 0.67 -0.40 121.20 119.46 3ihy s ILE 601 Ca 0.06 -1.64 0.12 0.00 -0.99 0.00 0.00 60.65 58.20 3ihy s ILE 601 Cb -0.10 -1.67 -0.17 0.00 2.95 0.00 0.00 42.46 43.47 3ihy s ILE 601 CO 0.00 -0.09 0.39 -1.14 -1.79 0.00 0.00 174.94 172.31 3ihy n ARG 602 N 0.91 1.57 -3.90 0.37 0.63 -0.50 -2.26 116.66 113.49 3ihy n ARG 602 Ca -0.18 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 3ihy n ARG 602 Cb 0.54 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.25 3ihy n ARG 602 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ihy n GLY 603 N 1.56 -1.27 3.51 5.14 0.00 -1.25 0.16 105.19 113.04 3ihy n GLY 603 Ca -0.00 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 3.56 -0.18 -0.61 1.01 0.15 -0.65 121.20 121.47 3ihy s ILE 604 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3ihy s ILE 604 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3ihy s ILE 604 CO 0.00 0.56 1.69 -0.63 0.00 0.00 0.00 174.94 176.55 3ihy s ILE 605 N -0.29 3.59 0.38 2.92 1.01 -0.58 -4.37 121.20 123.86 3ihy s ILE 605 Ca 0.04 0.67 0.10 0.00 0.00 0.00 0.00 60.65 61.46 3ihy s ILE 605 Cb -0.13 -3.58 0.15 0.00 0.01 0.00 0.00 42.46 38.91 3ihy s ILE 605 CO 0.03 -0.23 1.90 -0.65 0.00 0.00 0.00 174.94 175.99 3ihy h PRO 606 N 10.89 0.22 -0.19 2.79 0.11 -1.90 -3.32 132.00 140.61 3ihy h PRO 606 Ca -0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3ihy h PRO 606 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ihy h PRO 606 CO 0.99 0.39 0.00 -0.85 -0.21 0.00 0.00 178.00 178.32 3ihy n GLU 607 N -4.25 1.78 -0.02 1.05 0.00 -1.26 -3.58 120.64 114.35 3ihy n GLU 607 Ca -0.01 -1.17 0.02 0.00 0.00 0.00 0.00 57.16 56.00 3ihy n GLU 607 Cb 0.29 -1.40 0.02 0.00 0.00 0.00 0.00 31.44 30.36 3ihy n GLU 607 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3ihy n THR 608 N 0.40 1.05 -3.54 3.84 -2.24 -1.25 -5.03 114.28 107.52 3ihy n THR 608 Ca 0.16 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.45 3ihy n THR 608 Cb 0.34 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.22 3.59 0.25 6.98 0.00 -1.24 -4.79 121.76 125.34 3ihy s ALA 609 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3ihy s ALA 609 Cb 0.05 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3ihy s ALA 609 CO 0.01 -0.09 0.25 0.95 0.00 0.00 0.00 175.76 176.88 3ihy s THR 610 N 0.85 0.00 0.03 0.00 -4.23 -1.09 -4.66 115.64 106.54 3ihy s THR 610 Ca 0.14 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3ihy s THR 610 Cb -0.13 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3ihy s THR 610 CO 0.05 0.00 0.06 -0.76 -0.54 0.00 0.00 174.62 173.43 3ihy s LEU 611 N -3.20 3.79 0.37 4.79 1.43 -1.26 -0.03 118.68 124.56 3ihy s LEU 611 Ca 0.36 0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 53.27 3ihy s LEU 611 Cb 0.04 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.87 3ihy s LEU 611 CO 0.16 0.24 1.02 -0.36 0.23 0.00 0.00 176.35 177.64 3ihy s PHE 612 N -1.24 3.43 -0.77 0.29 0.08 -0.42 -4.92 117.98 114.43 3ihy s PHE 612 Ca 0.24 1.69 -0.26 0.00 0.12 0.00 0.00 56.93 58.73 3ihy s PHE 612 Cb -0.12 -3.06 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 3ihy s PHE 612 CO 0.16 -0.33 1.58 0.21 -0.10 0.00 0.00 175.22 176.74 3ihy s LYS 613 N -2.30 2.99 -0.27 0.44 2.20 -1.26 -4.48 119.74 117.06 3ihy s LYS 613 Ca 0.54 -0.13 -0.26 0.00 -0.36 0.00 0.00 55.97 55.76 3ihy s LYS 613 Cb -0.21 -4.57 0.16 0.00 -1.51 0.00 0.00 37.83 31.70 3ihy s LYS 613 CO 0.27 -2.52 1.24 0.45 -0.36 0.00 0.00 175.35 174.44 3ihy s SER 614 N 5.92 -0.22 0.28 1.43 0.15 -1.26 -5.03 113.70 114.96 3ihy s SER 614 Ca 0.52 0.38 -0.00 0.00 0.70 0.00 0.00 55.95 57.55 3ihy s SER 614 Cb -0.08 0.37 0.66 0.00 -1.71 0.00 0.00 66.02 65.26 3ihy s SER 614 CO 0.10 -0.10 1.62 0.00 1.20 0.00 0.00 173.24 176.06 3ihy h ALA 615 N 3.28 1.14 -0.02 5.45 0.00 -2.02 0.13 119.26 127.21 3ihy h ALA 615 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ihy h ALA 615 Cb 1.18 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3ihy h ALA 615 CO 0.18 -0.49 -0.01 1.28 0.00 0.00 0.00 179.25 180.21 3ihy n LEU 616 N -5.32 1.58 -3.96 0.00 4.32 -1.26 -4.96 117.00 107.40 3ihy n LEU 616 Ca 0.20 -0.52 -0.39 0.00 -0.02 0.00 0.00 56.01 55.28 3ihy n LEU 616 Cb 0.65 -0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.47 3ihy n LEU 616 CO 0.03 0.26 -0.18 0.23 -1.22 0.00 0.00 177.39 176.51 3ihy n MET 617 N 0.23 -0.70 -1.08 3.23 2.81 0.03 -4.71 117.12 116.92 3ihy n MET 617 Ca 0.19 0.32 -0.31 0.00 -1.81 0.00 0.00 57.70 56.09 3ihy n MET 617 Cb 0.37 -2.56 0.12 0.00 -0.71 0.00 0.00 33.22 30.43 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 -6.55 1.81 -0.04 0.03 0.04 -1.26 -4.78 135.00 124.25 3ihy s PRO 618 Ca 0.34 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3ihy s PRO 618 Cb -0.18 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3ihy s PRO 618 CO 0.94 -1.99 -0.00 0.00 0.04 0.00 0.00 177.00 175.99 3ihy s ALA 619 N -2.83 3.26 -0.35 8.56 0.00 -0.60 -1.30 121.76 128.49 3ihy s ALA 619 Ca 0.63 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 3ihy s ALA 619 Cb -0.19 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 3ihy s ALA 619 CO 0.57 0.62 0.27 -1.14 0.00 0.00 0.00 175.76 176.08 3ihy s GLN 620 N -1.22 3.41 -0.12 0.00 0.74 0.95 -0.84 119.66 122.59 3ihy s GLN 620 Ca 0.16 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.92 3ihy s GLN 620 Cb -0.11 -3.84 -0.00 0.00 1.10 0.00 0.00 33.01 30.15 3ihy s GLN 620 CO 0.06 -0.52 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.59 3ihy s LEU 621 N 1.77 2.37 -0.34 3.68 1.43 -0.72 -2.68 118.68 124.19 3ihy s LEU 621 Ca 0.07 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 3ihy s LEU 621 Cb -0.17 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 3ihy s LEU 621 CO 0.11 0.14 0.47 -0.36 0.23 0.00 0.00 176.35 176.94 3ihy s PHE 622 N 0.46 3.20 0.10 0.29 0.40 -1.26 -0.32 117.98 120.84 3ihy s PHE 622 Ca -0.13 0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.13 3ihy s PHE 622 Cb -0.17 -2.83 -0.06 0.00 0.51 0.00 0.00 43.02 40.47 3ihy s PHE 622 CO 0.06 -0.47 0.78 -0.06 0.70 0.00 0.00 175.22 176.23 3ihy s PHE 623 N 2.28 3.81 -0.26 0.36 0.40 -0.50 -1.53 117.98 122.54 3ihy s PHE 623 Ca 0.17 1.56 -0.29 0.00 -0.60 0.00 0.00 56.93 57.77 3ihy s PHE 623 Cb -0.16 -2.82 -0.00 0.00 0.51 0.00 0.00 43.02 40.56 3ihy s PHE 623 CO 0.12 0.37 1.25 0.15 0.70 0.00 0.00 175.22 177.81 3ihy s LYS 624 N -0.49 4.05 0.43 0.44 1.02 0.17 -1.00 119.74 124.36 3ihy s LYS 624 Ca 0.38 1.37 -0.02 0.00 0.02 0.00 0.00 55.97 57.71 3ihy s LYS 624 Cb -0.22 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3ihy s LYS 624 CO 0.25 -0.94 0.68 0.95 -0.92 0.00 0.00 175.35 175.37 3ihy s THR 625 N 3.97 4.81 0.25 2.17 -4.23 0.65 -1.40 115.64 121.86 3ihy s THR 625 Ca 0.54 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3ihy s THR 625 Cb -0.18 -3.79 0.23 0.00 1.34 0.00 0.00 72.50 70.10 3ihy s THR 625 CO 0.19 -0.65 1.73 -0.08 -0.54 0.00 0.00 174.62 175.27 3ihy h GLU 626 N 0.44 0.47 -0.00 3.99 4.81 -1.05 -2.17 114.58 121.06 3ihy h GLU 626 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3ihy h GLU 626 Cb 1.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3ihy h GLU 626 CO 0.61 0.31 0.00 -0.40 -0.73 0.00 0.00 179.01 178.80 3ihy n ASP 627 N -4.98 0.02 0.00 1.04 5.68 -1.26 -4.84 116.55 112.21 3ihy n ASP 627 Ca 0.15 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3ihy n ASP 627 Cb 0.44 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.61 0.70 1.21 6.12 0.00 -0.81 -5.08 105.19 107.94 3ihy n GLY 628 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.05 0.92 3.42 -0.02 0.00 -1.25 -4.79 105.19 101.41 3ihy n GLY 629 Ca 0.00 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 3ihy n GLY 629 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s LYS 630 N -3.17 2.10 -0.29 1.61 1.02 -1.25 -0.25 119.74 119.50 3ihy s LYS 630 Ca 0.20 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 3ihy s LYS 630 Cb -0.01 -2.16 0.10 0.00 -0.52 0.00 0.00 37.83 35.23 3ihy s LYS 630 CO 0.13 0.55 0.10 -0.47 -0.92 0.00 0.00 175.35 174.75 3ihy s TYR 631 N -0.82 1.28 0.17 3.18 6.14 -0.17 -4.90 117.35 122.23 3ihy s TYR 631 Ca 0.13 -1.43 -0.25 0.00 0.64 0.00 0.00 57.07 56.15 3ihy s TYR 631 Cb -0.10 -1.44 -0.08 0.00 0.42 0.00 0.00 41.96 40.76 3ihy s TYR 631 CO 0.03 -0.84 0.78 -1.25 0.64 0.00 0.00 175.55 174.90 3ihy s PRO 632 N 1.77 4.57 0.18 4.97 0.04 -1.26 -1.41 135.00 143.85 3ihy s PRO 632 Ca 0.09 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.35 3ihy s PRO 632 Cb -0.17 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 3ihy s PRO 632 CO -0.27 0.57 -0.13 0.08 0.04 0.00 0.00 177.00 177.30 3ihy s VAL 633 N -1.15 1.50 -0.26 -0.36 1.01 0.57 -2.59 120.40 119.12 3ihy s VAL 633 Ca 0.36 -2.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.12 3ihy s VAL 633 Cb -0.23 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3ihy s VAL 633 CO 0.26 -0.66 0.08 -0.63 0.00 0.00 0.00 175.10 174.16 3ihy s ILE 634 N -3.10 4.31 -0.26 2.22 1.01 0.11 -1.76 121.20 123.72 3ihy s ILE 634 Ca 0.20 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 3ihy s ILE 634 Cb 0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3ihy s ILE 634 CO 0.04 0.28 0.29 0.12 0.00 0.00 0.00 174.94 175.67 3ihy s PHE 635 N 1.60 3.26 -0.23 3.97 5.36 -0.02 -1.50 117.98 130.43 3ihy s PHE 635 Ca 0.06 0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 56.28 3ihy s PHE 635 Cb -0.16 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 3ihy s PHE 635 CO 0.04 -0.16 0.05 0.15 -1.46 0.00 0.00 175.22 173.84 3ihy s LYS 636 N 1.80 3.67 -0.05 10.12 1.02 -0.51 -1.56 119.74 134.24 3ihy s LYS 636 Ca 0.12 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.66 3ihy s LYS 636 Cb -0.16 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3ihy s LYS 636 CO 0.10 -0.07 -0.14 -1.58 -0.92 0.00 0.00 175.35 172.73 3ihy s HIS 637 N 1.28 2.73 -0.24 3.18 5.65 -1.26 -1.86 115.29 124.77 3ihy s HIS 637 Ca 0.04 -0.16 -0.00 0.00 0.25 0.00 0.00 55.06 55.19 3ihy s HIS 637 Cb -0.15 -1.65 0.00 0.00 -1.18 0.00 0.00 32.58 29.61 3ihy s HIS 637 CO 0.03 0.18 0.01 0.41 -0.65 0.00 0.00 174.74 174.71 3ihy n GLY 638 N 2.35 0.27 3.12 1.59 0.00 0.18 -4.87 105.19 107.84 3ihy n GLY 638 Ca -0.17 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.88 -0.14 -0.35 1.61 -1.08 -0.18 -5.03 116.67 108.62 3ihy s ASP 639 Ca 0.00 0.69 -0.28 0.00 -0.52 0.00 0.00 52.55 52.45 3ihy s ASP 639 Cb -0.00 0.70 0.02 0.00 -1.46 0.00 0.00 42.92 42.18 3ihy s ASP 639 CO 0.00 -0.20 1.01 -0.62 0.52 0.00 0.00 175.17 175.88 3ihy s ASP 640 N 1.81 6.81 -0.01 -0.34 -1.08 -1.25 -3.41 116.67 119.19 3ihy s ASP 640 Ca -0.05 0.82 0.21 0.00 -0.52 0.00 0.00 52.55 53.01 3ihy s ASP 640 Cb -0.11 -2.51 0.63 0.00 -1.46 0.00 0.00 42.92 39.48 3ihy s ASP 640 CO -0.10 -0.88 1.53 0.18 0.52 0.00 0.00 175.17 176.42 3ihy n LEU 641 N 6.87 4.00 -0.15 -1.34 4.77 -1.26 -4.62 117.00 125.26 3ihy n LEU 641 Ca 0.10 -2.06 0.02 0.00 -0.03 0.00 0.00 56.01 54.04 3ihy n LEU 641 Cb 0.48 -0.49 0.31 0.00 -2.33 0.00 0.00 43.42 41.39 3ihy n LEU 641 CO 0.59 0.95 1.22 0.03 -1.33 0.00 0.00 177.39 178.85 3ihy h ARG 642 N 4.11 0.83 0.29 3.23 3.08 -1.91 -0.49 114.38 123.52 3ihy h ARG 642 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ihy h ARG 642 Cb 1.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ihy h ARG 642 CO 0.03 0.55 -0.14 0.37 -1.07 0.00 0.00 179.97 179.71 3ihy h GLN 643 N 0.86 -0.37 -0.92 0.04 4.15 -1.91 -1.60 115.11 115.37 3ihy h GLN 643 Ca 0.24 0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.90 3ihy h GLN 643 Cb -0.06 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.64 3ihy h GLN 643 CO -0.06 -0.05 0.61 -0.44 -1.93 0.00 0.00 178.83 176.96 3ihy h ASP 644 N -0.75 0.42 -0.29 -0.69 5.19 -1.78 -0.18 116.42 118.34 3ihy h ASP 644 Ca -0.04 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3ihy h ASP 644 Cb 0.50 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3ihy h ASP 644 CO 0.06 0.16 -0.03 -0.61 -3.12 0.00 0.00 179.24 175.71 3ihy h GLN 645 N 0.41 0.54 0.71 3.56 4.15 -0.90 0.15 115.11 123.73 3ihy h GLN 645 Ca 0.48 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 3ihy h GLN 645 Cb 1.20 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.86 3ihy h GLN 645 CO -0.19 0.71 -0.35 1.25 -1.93 0.00 0.00 178.83 178.32 3ihy h LEU 646 N 0.32 -0.84 -0.85 -2.39 5.85 -0.63 -1.20 115.31 115.57 3ihy h LEU 646 Ca 0.08 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3ihy h LEU 646 Cb 0.48 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3ihy h LEU 646 CO 0.02 -0.59 0.54 0.40 -0.34 0.00 0.00 178.44 178.48 3ihy h ILE 647 N -0.97 1.13 -0.20 4.05 1.08 -0.88 0.39 117.51 122.12 3ihy h ILE 647 Ca -0.10 -0.36 -0.13 0.00 -0.39 0.00 0.00 64.86 63.89 3ihy h ILE 647 Cb 0.74 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3ihy h ILE 647 CO 0.15 0.19 -0.41 -0.07 -0.69 0.00 0.00 178.15 177.32 3ihy h LEU 648 N 1.05 0.50 -1.23 1.44 -0.00 -0.96 0.15 115.31 116.27 3ihy h LEU 648 Ca 0.34 -0.22 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 3ihy h LEU 648 Cb 0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 3ihy h LEU 648 CO -0.12 0.86 -0.17 0.06 -0.00 0.00 0.00 178.44 179.06 3ihy h GLN 649 N 0.39 0.32 -0.10 1.13 -0.00 0.28 0.11 115.11 117.24 3ihy h GLN 649 Ca 0.03 -0.09 -0.18 0.00 -0.00 0.00 0.00 58.65 58.41 3ihy h GLN 649 Cb 0.89 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 28.34 3ihy h GLN 649 CO 0.08 0.49 -0.65 0.82 -0.00 0.00 0.00 178.83 179.57 3ihy h ILE 650 N 0.29 1.34 -0.75 1.86 1.08 -0.60 -2.00 117.51 118.73 3ihy h ILE 650 Ca 0.05 -1.94 -0.05 0.00 -0.39 0.00 0.00 64.86 62.54 3ihy h ILE 650 Cb 0.48 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 3ihy h ILE 650 CO 0.03 0.59 0.29 0.40 -0.69 0.00 0.00 178.15 178.77 3ihy h ILE 651 N 0.25 1.25 -0.36 -0.67 2.04 -0.52 -0.40 117.51 119.10 3ihy h ILE 651 Ca -0.05 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3ihy h ILE 651 Cb 1.29 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3ihy h ILE 651 CO 0.13 0.33 0.21 -1.28 0.00 0.00 0.00 178.15 177.55 3ihy h SER 652 N 1.09 0.35 0.09 1.72 0.87 -0.80 -1.22 113.55 115.66 3ihy h SER 652 Ca 0.25 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3ihy h SER 652 Cb 0.22 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3ihy h SER 652 CO -0.02 0.26 -0.04 0.25 -0.53 0.00 0.00 176.83 176.75 3ihy h LEU 653 N 0.44 -0.10 -1.24 2.23 5.85 -0.90 -0.91 115.31 120.68 3ihy h LEU 653 Ca 0.14 -0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.98 3ihy h LEU 653 Cb -0.01 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3ihy h LEU 653 CO -0.06 -0.03 0.59 0.24 -0.34 0.00 0.00 178.44 178.84 3ihy h MET 654 N -0.15 0.68 0.01 1.25 2.86 -0.96 0.59 114.93 119.21 3ihy h MET 654 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ihy h MET 654 Cb 0.12 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3ihy h MET 654 CO 0.02 0.45 -0.00 0.22 1.06 0.00 0.00 176.91 178.66 3ihy h ASP 655 N 0.70 -0.01 -0.67 1.22 3.58 -0.52 0.19 116.42 120.91 3ihy h ASP 655 Ca 0.48 -0.44 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 3ihy h ASP 655 Cb 0.78 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 3ihy h ASP 655 CO -0.24 0.44 0.21 0.11 -2.88 0.00 0.00 179.24 176.88 3ihy h LYS 656 N -0.46 1.07 -0.59 0.28 1.57 -0.65 0.16 116.57 117.95 3ihy h LYS 656 Ca -0.00 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3ihy h LYS 656 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ihy h LYS 656 CO 0.00 0.92 0.15 -0.07 -0.57 0.00 0.00 179.45 179.88 3ihy h LEU 657 N 1.03 0.89 0.04 2.94 3.38 -0.87 0.19 115.31 122.90 3ihy h LEU 657 Ca 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ihy h LEU 657 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ihy h LEU 657 CO -0.01 0.88 -0.02 -0.07 0.09 0.00 0.00 178.44 179.32 3ihy h LEU 658 N 0.85 -0.04 -2.17 1.67 3.38 -0.56 -2.36 115.31 116.08 3ihy h LEU 658 Ca 0.19 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ihy h LEU 658 Cb 0.34 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ihy h LEU 658 CO 0.00 0.09 0.07 0.03 0.09 0.00 0.00 178.44 178.72 3ihy h ARG 659 N -0.17 0.00 -0.35 1.13 3.08 0.08 -1.60 114.38 116.55 3ihy h ARG 659 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3ihy h ARG 659 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ihy h ARG 659 CO 0.01 0.00 0.13 0.87 -1.07 0.00 0.00 179.97 179.91 3ihy h LYS 660 N 0.00 0.50 -0.98 0.04 1.57 -0.07 -0.21 116.57 117.42 3ihy h LYS 660 Ca 0.04 -0.06 -0.36 0.00 -1.87 0.00 0.00 60.65 58.40 3ihy h LYS 660 Cb 0.18 -0.09 -0.21 0.00 0.08 0.00 0.00 32.23 32.18 3ihy h LYS 660 CO -0.00 0.42 0.45 0.39 -0.57 0.00 0.00 179.45 180.15 3ihy n GLU 661 N -4.39 2.05 -3.15 3.15 -0.58 -0.66 -4.89 120.64 112.17 3ihy n GLU 661 Ca 0.02 -2.22 -0.20 0.00 -0.42 0.00 0.00 57.16 54.33 3ihy n GLU 661 Cb 0.15 -1.88 -0.00 0.00 -0.57 0.00 0.00 31.44 29.13 3ihy n GLU 661 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ihy n ASN 662 N -0.64 -3.74 -4.26 1.62 3.02 -0.09 -4.96 115.26 106.22 3ihy n ASN 662 Ca 0.43 -0.25 -0.36 0.00 -0.03 0.00 0.00 54.58 54.38 3ihy n ASN 662 Cb 1.34 -3.11 -0.14 0.00 -0.61 0.00 0.00 39.78 37.26 3ihy n ASN 662 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ihy s LEU 663 N -6.28 3.46 -0.50 3.41 2.96 -0.83 -4.98 118.68 115.93 3ihy s LEU 663 Ca 0.31 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3ihy s LEU 663 Cb -0.16 -1.75 0.13 0.00 0.50 0.00 0.00 46.19 44.91 3ihy s LEU 663 CO 0.38 -0.15 0.26 -0.62 -1.32 0.00 0.00 176.35 174.89 3ihy s ASP 664 N 1.39 4.08 -0.01 3.68 2.15 -1.26 -1.83 116.67 124.87 3ihy s ASP 664 Ca 0.01 -2.90 0.03 0.00 0.43 0.00 0.00 52.55 50.12 3ihy s ASP 664 Cb -0.17 -1.42 0.10 0.00 -0.30 0.00 0.00 42.92 41.13 3ihy s ASP 664 CO -0.02 -0.24 0.95 0.18 -0.17 0.00 0.00 175.17 175.88 3ihy n LEU 665 N 3.23 0.89 -3.17 -1.34 4.77 -1.26 -4.89 117.00 115.22 3ihy n LEU 665 Ca 0.07 -0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 3ihy n LEU 665 Cb 0.33 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3ihy n LEU 665 CO 0.30 0.19 0.20 0.29 -1.33 0.00 0.00 177.39 177.04 3ihy n LYS 666 N -0.11 -6.78 -1.46 3.23 4.76 -1.26 -1.59 118.16 114.94 3ihy n LYS 666 Ca 0.04 0.74 -0.29 0.00 -2.87 0.00 0.00 58.31 55.92 3ihy n LYS 666 Cb 0.18 -5.48 0.14 0.00 -1.84 0.00 0.00 35.03 28.03 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 -6.50 1.97 -0.49 -0.35 1.43 -1.26 -4.65 118.68 108.83 3ihy s LEU 667 Ca 0.49 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 3ihy s LEU 667 Cb -0.22 -3.35 0.16 0.00 0.03 0.00 0.00 46.19 42.81 3ihy s LEU 667 CO 0.61 -2.63 0.34 -0.89 0.23 0.00 0.00 176.35 174.02 3ihy s THR 668 N -3.20 1.29 -1.19 5.49 2.01 -1.26 -5.01 115.64 113.76 3ihy s THR 668 Ca 0.64 -2.99 -0.08 0.00 0.31 0.00 0.00 61.69 59.57 3ihy s THR 668 Cb -0.16 -1.88 0.22 0.00 0.01 0.00 0.00 72.50 70.70 3ihy s THR 668 CO 0.54 -1.06 1.61 -0.81 -0.69 0.00 0.00 174.62 174.20 3ihy n PRO 669 N 2.89 3.84 -1.55 4.92 -0.04 -1.26 -4.93 135.00 138.87 3ihy n PRO 669 Ca 0.20 -3.99 -0.36 0.00 -0.04 0.00 0.00 63.50 59.31 3ihy n PRO 669 Cb 0.40 -2.78 0.09 0.00 -0.04 0.00 0.00 33.50 31.17 3ihy n PRO 669 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ihy s TYR 670 N -0.57 1.99 0.42 0.54 -0.85 -1.26 -4.88 117.35 112.73 3ihy s TYR 670 Ca 0.37 1.54 -0.22 0.00 -0.52 0.00 0.00 57.07 58.24 3ihy s TYR 670 Cb 0.04 -3.64 -0.11 0.00 0.38 0.00 0.00 41.96 38.64 3ihy s TYR 670 CO 0.03 -2.92 0.95 0.15 -1.52 0.00 0.00 175.55 172.25 3ihy s LYS 671 N -3.61 4.25 -0.17 -3.49 1.02 -1.26 -4.87 119.74 111.61 3ihy s LYS 671 Ca 0.80 1.16 -0.05 0.00 0.02 0.00 0.00 55.97 57.91 3ihy s LYS 671 Cb -0.35 -2.26 0.09 0.00 -0.52 0.00 0.00 37.83 34.79 3ihy s LYS 671 CO 0.43 -0.01 0.30 0.08 -0.92 0.00 0.00 175.35 175.23 3ihy s VAL 672 N -2.09 -0.48 -0.12 3.17 1.01 -1.26 -0.11 120.40 120.52 3ihy s VAL 672 Ca 0.61 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3ihy s VAL 672 Cb -0.11 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3ihy s VAL 672 CO 0.15 0.01 -0.10 -0.22 0.00 0.00 0.00 175.10 174.94 3ihy s LEU 673 N 2.46 1.38 -0.18 3.92 2.96 -0.28 -4.79 118.68 124.15 3ihy s LEU 673 Ca 0.04 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 3ihy s LEU 673 Cb -0.13 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3ihy s LEU 673 CO -0.11 -0.08 1.38 0.00 -1.32 0.00 0.00 176.35 176.21 3ihy s ALA 674 N 1.51 3.56 -1.79 5.97 0.00 -1.26 -0.21 121.76 129.54 3ihy s ALA 674 Ca 0.02 0.47 0.28 0.00 0.00 0.00 0.00 51.96 52.74 3ihy s ALA 674 Cb -0.13 -3.70 1.07 0.00 0.00 0.00 0.00 23.12 20.36 3ihy s ALA 674 CO -0.07 -1.41 1.76 0.25 0.00 0.00 0.00 175.76 176.29 3ihy n THR 675 N 5.67 0.00 -1.30 0.00 -2.24 -0.72 -4.83 114.28 110.85 3ihy n THR 675 Ca 0.15 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ihy n THR 675 Cb 0.45 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.73 0.00 0.01 3.42 2.88 -0.89 -4.76 113.62 113.54 3ihy n SER 676 Ca 0.14 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.82 3ihy n SER 676 Cb 0.30 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.35 3ihy n SER 676 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ihy n THR 677 N 0.33 0.11 -0.00 2.46 -2.24 -1.26 -3.88 114.28 109.80 3ihy n THR 677 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3ihy n THR 677 Cb 0.00 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3ihy n THR 677 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ihy n LYS 678 N -1.54 5.77 -3.97 -0.78 4.81 -1.26 -3.90 118.16 117.29 3ihy n LYS 678 Ca 0.07 -0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3ihy n LYS 678 Cb 0.33 -0.55 -0.08 0.00 0.02 0.00 0.00 35.03 34.75 3ihy n LYS 678 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 3ihy s HIS 679 N -0.84 0.42 0.00 5.64 -3.43 -1.22 -0.65 115.29 115.21 3ihy s HIS 679 Ca 0.00 -0.81 0.00 0.00 -0.80 0.00 0.00 55.06 53.45 3ihy s HIS 679 Cb 0.00 -0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 3ihy s HIS 679 CO 0.00 -0.63 0.00 0.41 -2.00 0.00 0.00 174.74 172.52 3ihy n GLY 680 N -0.14 0.63 3.98 -1.38 0.00 -0.78 -1.76 105.19 105.74 3ihy n GLY 680 Ca -0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 3.21 -0.21 1.61 0.08 0.71 -1.42 117.98 119.96 3ihy s PHE 681 Ca 0.00 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.75 3ihy s PHE 681 Cb 0.00 -1.88 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 3ihy s PHE 681 CO 0.00 0.11 0.54 1.41 -0.10 0.00 0.00 175.22 177.17 3ihy s MET 682 N -4.13 0.58 0.13 0.44 1.75 -0.56 -1.13 119.30 116.38 3ihy s MET 682 Ca 0.42 0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 55.44 3ihy s MET 682 Cb -0.09 0.16 -0.07 0.00 2.84 0.00 0.00 34.83 37.67 3ihy s MET 682 CO 0.31 -0.12 1.14 -1.14 -0.65 0.00 0.00 175.02 174.55 3ihy s GLN 683 N 0.95 4.53 -0.29 4.11 0.74 0.84 0.06 119.66 130.60 3ihy s GLN 683 Ca -0.05 1.74 -0.25 0.00 0.05 0.00 0.00 55.36 56.85 3ihy s GLN 683 Cb -0.06 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.75 3ihy s GLN 683 CO -0.08 -0.06 0.85 0.12 -0.55 0.00 0.00 175.29 175.57 3ihy s PHE 684 N 0.25 3.22 -0.28 1.67 5.36 -1.07 -4.74 117.98 122.39 3ihy s PHE 684 Ca 0.53 0.95 -0.07 0.00 -0.96 0.00 0.00 56.93 57.38 3ihy s PHE 684 Cb -0.29 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.12 3ihy s PHE 684 CO 0.33 -0.56 0.07 0.42 -1.46 0.00 0.00 175.22 174.02 3ihy s ILE 685 N 3.04 4.07 -0.03 3.12 -1.09 -1.26 -4.80 121.20 124.25 3ihy s ILE 685 Ca 0.35 -0.49 -0.36 0.00 -2.23 0.00 0.00 60.65 57.92 3ihy s ILE 685 Cb -0.14 -3.01 -0.14 0.00 -1.58 0.00 0.00 42.46 37.58 3ihy s ILE 685 CO 0.12 0.19 1.66 1.67 -1.23 0.00 0.00 174.94 177.34 3ihy n GLN 686 N 4.89 1.71 -3.60 2.79 7.27 -1.26 -4.88 117.38 124.30 3ihy n GLN 686 Ca -0.15 0.62 0.02 0.00 0.07 0.00 0.00 57.00 57.56 3ihy n GLN 686 Cb 0.49 -2.37 -0.00 0.00 2.41 0.00 0.00 30.24 30.77 3ihy n GLN 686 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3ihy s SER 687 N 2.39 -0.04 -0.01 1.69 1.04 -1.26 -4.77 113.70 112.73 3ihy s SER 687 Ca 0.89 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 57.23 3ihy s SER 687 Cb -0.83 0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.41 3ihy s SER 687 CO 0.50 -0.22 -0.04 -0.69 0.98 0.00 0.00 173.24 173.77 3ihy s VAL 688 N -2.32 0.38 0.36 5.02 1.01 0.32 -4.93 120.40 120.24 3ihy s VAL 688 Ca 0.14 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3ihy s VAL 688 Cb 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.99 3ihy s VAL 688 CO -0.05 0.13 1.02 -2.84 0.00 0.00 0.00 175.10 173.37 3ihy s PRO 689 N 0.22 4.36 0.47 2.72 0.02 -1.26 -0.44 135.00 141.09 3ihy s PRO 689 Ca -0.02 1.49 0.13 0.00 0.02 0.00 0.00 61.00 62.62 3ihy s PRO 689 Cb -0.06 -2.70 1.10 0.00 0.02 0.00 0.00 34.50 32.86 3ihy s PRO 689 CO -0.00 0.04 2.09 0.28 -0.33 0.00 0.00 177.00 179.08 3ihy h VAL 690 N 2.43 1.02 -0.87 3.83 2.07 -1.23 0.67 116.25 124.17 3ihy h VAL 690 Ca -0.48 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3ihy h VAL 690 Cb 1.21 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3ihy h VAL 690 CO 0.64 0.05 0.57 0.00 0.02 0.00 0.00 177.57 178.84 3ihy h ALA 691 N 1.86 1.62 0.23 1.67 0.00 -1.14 0.57 119.26 124.08 3ihy h ALA 691 Ca 0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 3ihy h ALA 691 Cb 0.07 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ihy h ALA 691 CO -0.02 0.21 -1.43 1.49 0.00 0.00 0.00 179.25 179.50 3ihy h GLU 692 N 0.90 0.55 -0.19 0.00 4.81 0.02 -2.36 114.58 118.30 3ihy h GLU 692 Ca 0.40 -0.89 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 3ihy h GLU 692 Cb 0.35 0.33 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 3ihy h GLU 692 CO -0.16 1.42 -0.32 0.28 -0.73 0.00 0.00 179.01 179.50 3ihy h VAL 693 N 0.17 0.28 -0.15 0.32 2.07 -0.82 0.31 116.25 118.42 3ihy h VAL 693 Ca -0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ihy h VAL 693 Cb 2.12 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3ihy h VAL 693 CO 0.27 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.74 3ihy h LEU 694 N -0.36 -0.17 -0.61 2.57 4.07 -0.95 0.46 115.31 120.32 3ihy h LEU 694 Ca 0.11 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 3ihy h LEU 694 Cb 0.54 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 3ihy h LEU 694 CO -0.39 -0.06 0.17 -0.78 -1.08 0.00 0.00 178.44 176.29 3ihy h ASP 695 N -0.02 0.91 0.82 -0.43 3.58 -0.98 0.15 116.42 120.46 3ihy h ASP 695 Ca 0.08 -0.22 -0.18 0.00 0.42 0.00 0.00 57.03 57.13 3ihy h ASP 695 Cb 0.13 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 3ihy h ASP 695 CO -0.16 0.89 -1.28 0.71 -2.88 0.00 0.00 179.24 176.52 3ihy h THR 696 N 0.88 0.69 0.00 2.25 1.35 -0.24 -3.42 112.91 114.42 3ihy h THR 696 Ca 0.19 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3ihy h THR 696 Cb 0.32 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3ihy h THR 696 CO -0.00 0.39 -0.54 -0.62 -0.25 0.00 0.00 175.52 174.50 3ihy n GLU 697 N -3.00 2.63 0.00 4.72 -0.58 0.16 -5.05 120.64 119.52 3ihy n GLU 697 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3ihy n GLU 697 Cb 0.86 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.99 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 1.61 2.66 3.55 0.62 0.00 0.54 -4.69 105.19 109.47 3ihy n GLY 698 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 0.48 -0.47 0.26 1.61 1.04 -1.26 -4.76 113.70 110.60 3ihy s SER 699 Ca 0.00 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 3ihy s SER 699 Cb 0.00 0.39 0.53 0.00 0.10 0.00 0.00 66.02 67.04 3ihy s SER 699 CO 0.00 -0.46 1.71 0.40 0.98 0.00 0.00 173.24 175.87 3ihy h ILE 700 N 2.65 0.58 -0.72 -1.02 2.04 -1.90 -1.71 117.51 117.44 3ihy h ILE 700 Ca -0.22 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3ihy h ILE 700 Cb 1.16 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3ihy h ILE 700 CO 0.34 0.07 0.47 1.56 0.00 0.00 0.00 178.15 180.59 3ihy h GLN 701 N 0.40 0.91 -0.16 2.37 4.20 -1.85 -1.87 115.11 119.10 3ihy h GLN 701 Ca 0.45 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3ihy h GLN 701 Cb 0.76 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3ihy h GLN 701 CO -0.46 0.60 0.10 -0.91 -0.67 0.00 0.00 178.83 177.49 3ihy h ASN 702 N 0.94 0.16 -0.46 1.46 2.35 -1.64 -0.89 115.58 117.50 3ihy h ASN 702 Ca 0.27 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 56.11 3ihy h ASN 702 Cb -0.07 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.18 3ihy h ASN 702 CO -0.07 0.12 -0.14 0.15 -1.65 0.00 0.00 177.43 175.83 3ihy h PHE 703 N 0.20 -0.32 -0.23 1.19 3.57 -1.09 -1.13 116.94 119.13 3ihy h PHE 703 Ca 0.06 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 3ihy h PHE 703 Cb -0.01 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3ihy h PHE 703 CO -0.08 -0.22 -0.23 0.74 -2.23 0.00 0.00 178.31 176.29 3ihy h PHE 704 N -0.03 0.48 -0.53 0.41 0.04 -1.12 -1.38 116.94 114.80 3ihy h PHE 704 Ca 0.22 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 3ihy h PHE 704 Cb 0.37 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3ihy h PHE 704 CO -0.42 0.63 -0.09 0.00 -0.60 0.00 0.00 178.31 177.84 3ihy h ARG 705 N 0.39 0.99 -0.16 1.51 3.08 -0.46 0.53 114.38 120.27 3ihy h ARG 705 Ca 0.06 -0.35 -0.20 0.00 0.07 0.00 0.00 59.98 59.56 3ihy h ARG 705 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3ihy h ARG 705 CO 0.04 1.02 -0.72 -0.22 -1.07 0.00 0.00 179.97 179.03 3ihy h LYS 706 N 0.88 0.69 0.00 0.04 3.64 -1.02 -2.93 116.57 117.88 3ihy h LYS 706 Ca 0.14 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3ihy h LYS 706 Cb 0.64 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3ihy h LYS 706 CO 0.04 1.15 -1.51 0.66 -2.27 0.00 0.00 179.45 177.53 3ihy n TYR 707 N -3.92 0.02 -2.85 1.91 4.02 -0.54 -4.66 117.16 111.14 3ihy n TYR 707 Ca -0.06 0.01 -0.12 0.00 -0.01 0.00 0.00 57.90 57.72 3ihy n TYR 707 Cb 0.71 -0.29 0.01 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.91 2.89 -1.76 -0.72 0.00 0.19 -5.05 120.51 114.15 3ihy n ALA 708 Ca -0.00 -3.22 -0.37 0.00 0.00 0.00 0.00 53.44 49.84 3ihy n ALA 708 Cb 0.46 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.85 3.47 -0.30 0.00 0.04 -1.10 -0.39 135.00 133.86 3ihy s PRO 709 Ca 0.32 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 3ihy s PRO 709 Cb 0.42 -2.31 0.19 0.00 0.04 0.00 0.00 34.50 32.84 3ihy s PRO 709 CO -0.00 -0.84 0.68 0.45 0.04 0.00 0.00 177.00 177.32 3ihy s SER 710 N -1.23 -1.26 0.16 6.66 0.15 -1.04 -4.36 113.70 112.78 3ihy s SER 710 Ca 0.68 0.67 -0.28 0.00 0.70 0.00 0.00 55.95 57.71 3ihy s SER 710 Cb -0.33 2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.95 3ihy s SER 710 CO 0.39 -0.23 1.46 -0.62 1.20 0.00 0.00 173.24 175.44 3ihy n GLU 711 N 5.43 -0.40 -0.02 5.44 1.02 -1.26 -1.32 120.64 129.53 3ihy n GLU 711 Ca -0.01 1.44 0.13 0.00 -0.02 0.00 0.00 57.16 58.70 3ihy n GLU 711 Cb 0.52 -2.12 0.56 0.00 -0.02 0.00 0.00 31.44 30.39 3ihy n GLU 711 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ihy n ASN 712 N -5.21 1.08 -4.92 1.62 3.02 -1.26 -4.48 115.26 105.11 3ihy n ASN 712 Ca 0.03 -1.46 -0.27 0.00 -0.03 0.00 0.00 54.58 52.85 3ihy n ASN 712 Cb 0.26 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 3ihy n ASN 712 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ihy s GLY 713 N -1.82 1.64 -0.02 7.41 0.00 -0.43 -4.94 107.32 109.16 3ihy s GLY 713 Ca 0.37 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 3ihy s GLY 713 CO 0.30 -0.37 1.57 2.56 0.00 0.00 0.00 173.10 177.16 3ihy s PRO 714 N -5.20 4.21 -1.35 2.90 0.04 -1.17 -0.69 135.00 133.75 3ihy s PRO 714 Ca 0.58 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.75 3ihy s PRO 714 Cb -0.11 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.65 3ihy s PRO 714 CO 0.46 -0.75 0.00 0.09 0.04 0.00 0.00 177.00 176.85 3ihy n ASN 715 N 6.33 -4.38 -0.79 6.66 5.03 -1.26 -2.60 115.26 124.24 3ihy n ASN 715 Ca 0.16 0.19 -0.05 0.00 0.87 0.00 0.00 54.58 55.75 3ihy n ASN 715 Cb 0.43 -3.76 0.01 0.00 -1.02 0.00 0.00 39.78 35.43 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 -0.73 0.39 3.01 7.41 0.00 0.13 -4.94 105.19 110.46 3ihy n GLY 716 Ca -0.17 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.59 0.93 -0.34 -0.61 1.01 -1.07 -2.48 121.20 116.04 3ihy s ILE 717 Ca 0.05 -0.40 -0.39 0.00 0.00 0.00 0.00 60.65 59.92 3ihy s ILE 717 Cb -0.02 -0.84 -0.17 0.00 0.01 0.00 0.00 42.46 41.43 3ihy s ILE 717 CO 0.07 0.30 1.26 -0.24 0.00 0.00 0.00 174.94 176.33 3ihy n SER 718 N 3.55 0.82 -0.25 3.58 2.88 0.48 -3.03 113.62 121.65 3ihy n SER 718 Ca -0.21 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 3ihy n SER 718 Cb 0.53 -0.75 0.12 0.00 -0.75 0.00 0.00 64.21 63.36 3ihy n SER 718 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ihy h ALA 719 N 3.89 1.00 -0.24 -1.46 0.00 -1.93 -0.45 119.26 120.06 3ihy h ALA 719 Ca -0.38 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3ihy h ALA 719 Cb 1.17 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3ihy h ALA 719 CO 0.77 0.06 -0.17 1.49 0.00 0.00 0.00 179.25 181.40 3ihy h GLU 720 N 0.72 -0.16 -0.38 0.00 4.81 -1.97 0.80 114.58 118.39 3ihy h GLU 720 Ca 0.34 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3ihy h GLU 720 Cb 0.26 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3ihy h GLU 720 CO -0.21 -0.11 0.18 0.28 -0.73 0.00 0.00 179.01 178.42 3ihy h VAL 721 N -0.16 1.18 -0.45 0.32 2.07 -1.52 0.25 116.25 117.94 3ihy h VAL 721 Ca 0.14 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3ihy h VAL 721 Cb 0.37 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ihy h VAL 721 CO -0.34 0.19 0.10 -0.03 0.02 0.00 0.00 177.57 177.51 3ihy h MET 722 N 0.48 0.67 -0.29 1.57 1.85 -0.70 0.81 114.93 119.31 3ihy h MET 722 Ca 0.13 -0.12 -0.10 0.00 -0.61 0.00 0.00 59.70 59.00 3ihy h MET 722 Cb 0.14 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 3ihy h MET 722 CO -0.02 0.61 -0.23 0.22 -0.40 0.00 0.00 176.91 177.10 3ihy h ASP 723 N 0.65 0.56 -0.01 1.39 3.58 0.13 0.11 116.42 122.84 3ihy h ASP 723 Ca 0.15 -0.19 -0.17 0.00 0.42 0.00 0.00 57.03 57.24 3ihy h ASP 723 Cb 0.25 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3ihy h ASP 723 CO -0.00 0.79 -0.58 0.74 -2.88 0.00 0.00 179.24 177.30 3ihy h THR 724 N 0.50 1.32 0.27 2.25 2.02 -0.14 -2.67 112.91 116.46 3ihy h THR 724 Ca 0.07 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 3ihy h THR 724 Cb 0.67 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3ihy h THR 724 CO 0.05 0.57 -0.13 0.22 0.37 0.00 0.00 175.52 176.60 3ihy h TYR 725 N 0.46 -0.34 -0.57 3.16 -0.00 -0.36 -1.76 116.97 117.56 3ihy h TYR 725 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 58.73 58.80 3ihy h TYR 725 Cb 1.15 0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 37.92 3ihy h TYR 725 CO 0.05 -0.07 0.23 0.28 -0.00 0.00 0.00 178.16 178.66 3ihy h VAL 726 N -0.58 0.83 0.18 1.81 2.07 -0.79 0.05 116.25 119.82 3ihy h VAL 726 Ca -0.04 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3ihy h VAL 726 Cb 0.42 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ihy h VAL 726 CO 0.06 0.08 -0.09 0.11 0.02 0.00 0.00 177.57 177.75 3ihy h LYS 727 N 0.43 -0.24 -0.60 1.57 1.57 -1.46 -1.47 116.57 116.37 3ihy h LYS 727 Ca 0.28 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3ihy h LYS 727 Cb 0.29 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3ihy h LYS 727 CO -0.26 0.07 0.32 0.66 -0.57 0.00 0.00 179.45 179.67 3ihy h SER 728 N -0.55 0.73 -0.27 0.86 4.64 -0.35 0.49 113.55 119.10 3ihy h SER 728 Ca -0.03 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3ihy h SER 728 Cb 0.41 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3ihy h SER 728 CO 0.04 0.60 0.14 0.00 -0.87 0.00 0.00 176.83 176.74 3ihy h ALA 730 N 1.14 0.68 0.30 0.00 0.00 0.08 -1.64 119.26 119.83 3ihy h ALA 730 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ihy h ALA 730 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ihy h ALA 730 CO -0.07 0.24 -0.14 0.78 0.00 0.00 0.00 179.25 180.05 3ihy h GLY 731 N 0.71 -0.42 1.77 0.00 0.00 -0.91 -2.25 103.07 101.97 3ihy h GLY 731 Ca 0.18 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 3ihy h GLY 731 CO -0.02 -0.15 -0.33 -0.97 0.00 0.00 0.00 176.54 175.06 3ihy h TYR 732 N -0.51 0.31 -0.45 5.60 0.05 -1.32 0.20 116.97 120.85 3ihy h TYR 732 Ca -0.04 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 3ihy h TYR 732 Cb 0.38 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3ihy h TYR 732 CO -0.03 0.57 -0.13 0.00 -1.05 0.00 0.00 178.16 177.52 3ihy h VAL 734 N 0.74 1.46 -0.63 0.00 2.07 -1.03 -2.79 116.25 116.07 3ihy h VAL 734 Ca 0.12 -2.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 3ihy h VAL 734 Cb 0.64 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3ihy h VAL 734 CO 0.04 0.68 0.09 0.40 0.02 0.00 0.00 177.57 178.80 3ihy h ILE 735 N -0.22 1.26 -0.26 4.57 2.04 -0.59 -2.63 117.51 121.69 3ihy h ILE 735 Ca -0.13 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 3ihy h ILE 735 Cb 1.56 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3ihy h ILE 735 CO 0.15 0.38 -0.12 0.71 0.00 0.00 0.00 178.15 179.28 3ihy h THR 736 N 0.96 1.22 -0.51 -0.27 1.35 -0.54 -1.97 112.91 113.14 3ihy h THR 736 Ca 0.19 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 3ihy h THR 736 Cb 0.45 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 3ihy h THR 736 CO 0.02 0.31 0.26 0.22 -0.25 0.00 0.00 175.52 176.07 3ihy h TYR 737 N 0.40 0.73 -0.28 4.73 3.20 -1.31 -1.64 116.97 122.79 3ihy h TYR 737 Ca 0.08 -0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.75 3ihy h TYR 737 Cb 0.45 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3ihy h TYR 737 CO 0.01 0.56 -0.47 0.82 -1.64 0.00 0.00 178.16 177.45 3ihy h ILE 738 N 0.68 1.29 -0.00 1.81 2.04 -1.10 -2.72 117.51 119.51 3ihy h ILE 738 Ca 0.18 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3ihy h ILE 738 Cb 0.10 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3ihy h ILE 738 CO -0.02 0.54 -0.04 0.18 0.00 0.00 0.00 178.15 178.80 3ihy n LEU 739 N -4.09 0.28 -3.52 1.44 4.77 -0.78 -4.61 117.00 110.49 3ihy n LEU 739 Ca -0.04 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.79 3ihy n LEU 739 Cb 0.58 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3ihy n LEU 739 CO 0.49 0.05 0.18 0.61 -1.33 0.00 0.00 177.39 177.39 3ihy n GLY 740 N 1.21 -0.46 3.71 -0.72 0.00 -0.66 -0.65 105.19 107.62 3ihy n GLY 740 Ca 0.17 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 3ihy n GLY 740 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihy s VAL 741 N -3.34 4.82 0.02 1.61 1.01 -0.92 -0.07 120.40 123.53 3ihy s VAL 741 Ca 0.30 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.30 3ihy s VAL 741 Cb -0.13 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3ihy s VAL 741 CO 0.73 0.19 0.01 0.61 0.00 0.00 0.00 175.10 176.64 3ihy n GLY 742 N 2.81 3.33 3.88 4.51 0.00 0.00 -4.79 105.19 114.93 3ihy n GLY 742 Ca 0.05 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.75 -3.92 -4.72 1.61 2.03 -1.26 -4.68 116.55 103.85 3ihy n ASP 743 Ca -0.00 -0.80 -0.40 0.00 0.52 0.00 0.00 54.79 54.11 3ihy n ASP 743 Cb 0.02 -3.88 -0.04 0.00 -0.72 0.00 0.00 41.12 36.50 3ihy n ASP 743 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ihy s ARG 744 N -6.49 4.49 0.22 -0.67 3.00 -1.26 -4.90 118.95 113.33 3ihy s ARG 744 Ca 0.51 1.07 -0.20 0.00 0.00 0.00 0.00 55.73 57.11 3ihy s ARG 744 Cb -0.26 -3.42 0.04 0.00 0.00 0.00 0.00 34.95 31.31 3ihy s ARG 744 CO 0.83 0.11 0.62 -3.38 0.00 0.00 0.00 175.30 173.48 3ihy s HIS 745 N 0.56 -0.24 -2.00 -0.53 -3.43 -1.26 -5.04 115.29 103.34 3ihy s HIS 745 Ca 0.41 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.58 3ihy s HIS 745 Cb -0.19 0.56 0.13 0.00 -1.43 0.00 0.00 32.58 31.65 3ihy s HIS 745 CO 0.22 -1.03 0.49 1.28 -2.00 0.00 0.00 174.74 173.70 3ihy n LEU 746 N -0.40 0.00 -0.01 5.38 4.77 -1.26 -1.14 117.00 124.34 3ihy n LEU 746 Ca -0.09 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3ihy n LEU 746 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 3ihy n LEU 746 CO 0.15 0.00 -0.69 0.47 -1.33 0.00 0.00 177.39 175.99 3ihy n ASP 747 N -0.83 0.63 0.10 -1.43 8.00 -1.26 -0.63 116.55 121.14 3ihy n ASP 747 Ca 0.02 -0.05 0.13 0.00 0.71 0.00 0.00 54.79 55.60 3ihy n ASP 747 Cb 0.01 1.83 0.31 0.00 -0.02 0.00 0.00 41.12 43.25 3ihy n ASP 747 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ihy h ASN 748 N 0.00 0.00 -3.62 -2.24 -0.26 -1.45 -3.44 115.58 104.57 3ihy h ASN 748 Ca 0.00 -0.06 -0.65 0.00 -0.56 0.00 0.00 56.30 55.02 3ihy h ASN 748 Cb 0.85 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.95 3ihy h ASN 748 CO 0.00 0.03 -0.14 -0.22 -1.06 0.00 0.00 177.43 176.04 3ihy s LEU 749 N -4.59 4.40 0.04 1.61 2.96 -1.21 -0.63 118.68 121.26 3ihy s LEU 749 Ca 0.09 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3ihy s LEU 749 Cb 0.12 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 3ihy s LEU 749 CO 0.64 -0.44 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.37 3ihy s LEU 750 N 2.25 3.00 -0.03 -0.68 1.02 0.11 -1.56 118.68 122.80 3ihy s LEU 750 Ca 0.16 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 54.08 3ihy s LEU 750 Cb -0.16 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 3ihy s LEU 750 CO 0.13 0.24 -0.19 -0.22 0.02 0.00 0.00 176.35 176.33 3ihy s LEU 751 N -1.68 2.00 0.15 1.79 2.96 0.42 -0.46 118.68 123.86 3ihy s LEU 751 Ca 0.18 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3ihy s LEU 751 Cb -0.11 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3ihy s LEU 751 CO 0.09 0.21 0.02 0.42 -1.32 0.00 0.00 176.35 175.77 3ihy s THR 752 N -0.28 3.92 0.19 3.68 -4.23 0.67 -0.52 115.64 119.07 3ihy s THR 752 Ca 0.03 -1.24 0.26 0.00 -1.18 0.00 0.00 61.69 59.56 3ihy s THR 752 Cb -0.09 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.06 3ihy s THR 752 CO 0.00 -0.04 1.77 0.11 -0.54 0.00 0.00 174.62 175.92 3ihy h LYS 753 N 2.87 0.00 -0.01 3.99 1.57 -1.88 0.26 116.57 123.37 3ihy h LYS 753 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3ihy h LYS 753 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3ihy h LYS 753 CO 0.59 0.00 -0.06 0.25 -0.57 0.00 0.00 179.45 179.67 3ihy n THR 754 N -2.49 0.00 0.00 -0.16 -2.24 -1.26 -4.77 114.28 103.36 3ihy n THR 754 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3ihy n THR 754 Cb 0.17 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.19 0.53 3.67 3.38 0.00 0.08 -4.37 105.19 109.67 3ihy n GLY 755 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.83 4.27 -0.15 1.61 1.02 -1.23 -2.67 119.74 121.76 3ihy s LYS 756 Ca 0.00 1.79 -0.07 0.00 0.02 0.00 0.00 55.97 57.72 3ihy s LYS 756 Cb 0.00 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 3ihy s LYS 756 CO 0.00 -0.62 0.08 -1.17 -0.92 0.00 0.00 175.35 172.72 3ihy s LEU 757 N 2.95 4.00 0.20 3.17 0.20 -1.26 -0.24 118.68 127.69 3ihy s LEU 757 Ca 0.59 0.23 -0.12 0.00 0.69 0.00 0.00 54.13 55.53 3ihy s LEU 757 Cb -0.26 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 3ihy s LEU 757 CO 0.21 0.29 0.39 0.72 -0.29 0.00 0.00 176.35 177.67 3ihy s PHE 758 N -0.32 0.29 -0.04 5.38 -0.71 0.39 -4.63 117.98 118.34 3ihy s PHE 758 Ca 0.09 -0.64 -0.00 0.00 -1.04 0.00 0.00 56.93 55.34 3ihy s PHE 758 Cb -0.12 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 3ihy s PHE 758 CO 0.01 -0.84 -0.00 -1.01 -1.34 0.00 0.00 175.22 172.04 3ihy s HIS 759 N -3.97 3.11 0.42 3.49 3.76 -1.26 0.06 115.29 120.90 3ihy s HIS 759 Ca 0.17 0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.26 3ihy s HIS 759 Cb 0.01 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 3ihy s HIS 759 CO 0.02 0.46 0.03 0.96 -0.85 0.00 0.00 174.74 175.36 3ihy s ILE 760 N -0.98 1.52 -0.18 0.60 -4.36 0.20 -4.97 121.20 113.02 3ihy s ILE 760 Ca 0.16 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 3ihy s ILE 760 Cb -0.11 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.91 3ihy s ILE 760 CO 0.06 0.00 0.07 -0.67 0.24 0.00 0.00 174.94 174.64 3ihy n ASP 761 N -1.03 -5.32 -2.86 4.36 2.03 -1.26 -4.82 116.55 107.66 3ihy n ASP 761 Ca -0.08 0.69 -0.35 0.00 0.52 0.00 0.00 54.79 55.56 3ihy n ASP 761 Cb 0.67 -3.40 0.02 0.00 -0.72 0.00 0.00 41.12 37.68 3ihy n ASP 761 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3ihy n PHE 762 N 0.22 3.18 0.15 -0.67 3.72 -1.26 -4.70 117.46 118.10 3ihy n PHE 762 Ca 0.01 -2.74 0.04 0.00 -0.05 0.00 0.00 57.45 54.71 3ihy n PHE 762 Cb 0.06 -0.77 0.12 0.00 -0.94 0.00 0.00 39.48 37.94 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 3.00 0.00 -7.23 1.37 0.00 -1.92 -3.41 103.07 94.87 3ihy h GLY 763 Ca 0.44 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 47.10 3ihy h GLY 763 CO 1.17 0.00 -0.79 -0.19 0.00 0.00 0.00 176.54 176.73 3ihy s TYR 764 N -3.14 3.10 0.38 5.60 2.02 -1.26 -4.91 117.35 119.13 3ihy s TYR 764 Ca 0.03 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 54.82 3ihy s TYR 764 Cb 0.08 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 3ihy s TYR 764 CO 0.73 -0.82 0.10 0.96 -1.57 0.00 0.00 175.55 174.95 3ihy s ILE 765 N 1.21 0.78 -1.46 2.71 -4.36 -1.26 -0.82 121.20 118.00 3ihy s ILE 765 Ca -0.03 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 3ihy s ILE 765 Cb -0.17 -2.49 0.08 0.00 1.25 0.00 0.00 42.46 41.12 3ihy s ILE 765 CO -0.07 0.00 0.73 0.18 0.24 0.00 0.00 174.94 176.03 3ihy n LEU 766 N -0.83 -2.12 0.00 0.37 4.77 0.18 -2.76 117.00 116.62 3ihy n LEU 766 Ca -0.05 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3ihy n LEU 766 Cb 0.66 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 3ihy n LEU 766 CO 0.38 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3ihy n GLY 767 N -1.45 0.68 3.84 -0.72 0.00 0.90 -4.96 105.19 103.49 3ihy n GLY 767 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.72 3.54 -0.20 1.61 0.52 -1.11 -5.00 118.95 117.59 3ihy s ARG 768 Ca 0.00 0.90 -0.27 0.00 -0.52 0.00 0.00 55.73 55.84 3ihy s ARG 768 Cb 0.00 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.47 3ihy s ARG 768 CO 0.00 -0.62 0.72 0.34 0.02 0.00 0.00 175.30 175.76 3ihy s ASP 769 N -3.64 -0.71 0.59 0.23 2.15 -1.26 -4.01 116.67 110.03 3ihy s ASP 769 Ca 0.58 1.20 0.40 0.00 0.43 0.00 0.00 52.55 55.16 3ihy s ASP 769 Cb -0.12 1.16 2.13 0.00 -0.30 0.00 0.00 42.92 45.79 3ihy s ASP 769 CO 0.46 -0.36 2.21 1.55 -0.17 0.00 0.00 175.17 178.87 3ihy h PRO 770 N 4.35 0.00 -6.29 4.34 0.13 -1.98 -3.43 132.00 129.12 3ihy h PRO 770 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 3ihy h PRO 770 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 3ihy h PRO 770 CO 0.16 0.00 -0.69 0.15 -0.23 0.00 0.00 178.00 177.39 3ihy s LYS 771 N -4.00 2.13 0.29 0.86 1.02 -1.26 -5.11 119.74 113.66 3ihy s LYS 771 Ca -0.04 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.40 3ihy s LYS 771 Cb 0.11 -2.11 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 3ihy s LYS 771 CO 0.38 0.38 0.67 -1.25 -0.92 0.00 0.00 175.35 174.62 3ihy s PRO 772 N -3.35 3.94 -1.05 -1.68 0.04 -1.26 -4.30 135.00 127.33 3ihy s PRO 772 Ca 0.29 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.71 3ihy s PRO 772 Cb -0.07 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3ihy s PRO 772 CO 0.18 0.21 0.77 1.28 0.04 0.00 0.00 177.00 179.48 3ihy n LEU 773 N -0.28 -3.32 -4.86 -3.56 4.32 -1.26 -4.99 117.00 103.04 3ihy n LEU 773 Ca 0.02 -0.89 -0.31 0.00 -0.02 0.00 0.00 56.01 54.81 3ihy n LEU 773 Cb 0.53 -2.45 -0.01 0.00 -1.62 0.00 0.00 43.42 39.87 3ihy n LEU 773 CO 0.43 0.26 0.69 -2.16 -1.22 0.00 0.00 177.39 175.39 3ihy s PRO 774 N -5.45 3.72 0.29 3.23 0.04 -1.26 -5.06 135.00 130.51 3ihy s PRO 774 Ca 0.37 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 3ihy s PRO 774 Cb -0.13 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3ihy s PRO 774 CO 0.85 -0.44 0.98 -1.25 0.04 0.00 0.00 177.00 177.18 3ihy s PRO 775 N -4.76 4.66 0.45 0.56 0.04 -1.26 -4.95 135.00 129.74 3ihy s PRO 775 Ca 0.56 1.50 0.25 0.00 0.04 0.00 0.00 61.00 63.34 3ihy s PRO 775 Cb -0.11 -3.04 0.54 0.00 0.04 0.00 0.00 34.50 31.94 3ihy s PRO 775 CO 0.46 0.32 1.68 -1.00 0.04 0.00 0.00 177.00 178.50 3ihy h PRO 776 N 3.61 0.00 -4.70 0.56 0.13 -1.99 -3.37 132.00 126.25 3ihy h PRO 776 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 3ihy h PRO 776 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3ihy h PRO 776 CO 0.66 0.04 -0.55 -1.64 -0.23 0.00 0.00 178.00 176.29 3ihy s MET 777 N -3.30 3.06 -1.22 0.86 -1.94 -1.26 -4.56 119.30 110.94 3ihy s MET 777 Ca 0.05 -0.91 -0.07 0.00 -1.71 0.00 0.00 55.69 53.05 3ihy s MET 777 Cb 0.06 -3.60 0.21 0.00 2.01 0.00 0.00 34.83 33.51 3ihy s MET 777 CO 0.65 -0.55 1.82 1.63 -0.01 0.00 0.00 175.02 178.56 3ihy n LYS 778 N 4.96 4.08 -2.76 2.03 4.76 -1.26 -4.95 118.16 125.02 3ihy n LYS 778 Ca -0.13 -3.87 -0.20 0.00 -2.87 0.00 0.00 58.31 51.24 3ihy n LYS 778 Cb 0.47 -2.75 0.03 0.00 -1.84 0.00 0.00 35.03 30.95 3ihy n LYS 778 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ihy s LEU 779 N -1.35 3.38 -0.11 -0.35 1.43 -1.26 -5.00 118.68 115.42 3ihy s LEU 779 Ca 0.39 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3ihy s LEU 779 Cb 0.10 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.61 3ihy s LEU 779 CO 0.02 -1.05 0.26 0.21 0.23 0.00 0.00 176.35 176.02 3ihy s ASN 780 N -4.42 -0.28 0.16 2.29 3.84 -1.26 -5.03 114.94 110.25 3ihy s ASN 780 Ca 0.57 0.54 -0.22 0.00 0.21 0.00 0.00 52.86 53.96 3ihy s ASN 780 Cb -0.10 0.45 0.06 0.00 -0.55 0.00 0.00 41.25 41.11 3ihy s ASN 780 CO 0.37 -0.15 1.62 0.50 -2.79 0.00 0.00 177.10 176.64 3ihy h LYS 781 N 6.96 -0.22 0.00 0.43 1.63 -1.98 -2.61 116.57 120.77 3ihy h LYS 781 Ca -0.38 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.37 3ihy h LYS 781 Cb 1.16 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3ihy h LYS 781 CO 0.37 -0.15 -0.32 1.05 -3.45 0.00 0.00 179.45 176.95 3ihy h GLU 782 N -0.23 0.00 -0.75 1.90 9.09 -1.99 -2.21 114.58 120.39 3ihy h GLU 782 Ca 0.16 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.52 3ihy h GLU 782 Cb 0.49 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.56 3ihy h GLU 782 CO -0.47 0.32 0.27 0.52 0.05 0.00 0.00 179.01 179.70 3ihy h MET 783 N 0.00 1.14 0.00 1.06 2.86 -1.90 -0.75 114.93 117.34 3ihy h MET 783 Ca -0.00 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.33 3ihy h MET 783 Cb 0.99 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3ihy h MET 783 CO 0.04 0.95 -0.43 0.28 1.06 0.00 0.00 176.91 178.80 3ihy h VAL 784 N 1.11 0.82 0.00 -2.22 2.07 -1.09 -2.81 116.25 114.12 3ihy h VAL 784 Ca 0.25 -1.90 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 3ihy h VAL 784 Cb 0.25 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3ihy h VAL 784 CO -0.02 0.42 -0.87 -0.33 0.02 0.00 0.00 177.57 176.80 3ihy h GLU 785 N 0.00 0.00 -0.59 1.57 5.08 -1.26 0.05 114.58 119.43 3ihy h GLU 785 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ihy h GLU 785 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3ihy h GLU 785 CO 0.06 0.69 0.38 0.78 -1.00 0.00 0.00 179.01 179.92 3ihy h GLY 786 N 3.31 0.83 1.98 -3.84 0.00 -0.88 -1.15 103.07 103.32 3ihy h GLY 786 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3ihy h GLY 786 CO 0.09 0.31 0.00 1.03 0.00 0.00 0.00 176.54 177.98 3ihy n MET 787 N -4.43 0.01 0.00 4.80 2.81 -1.13 -4.63 117.12 114.55 3ihy n MET 787 Ca 0.06 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3ihy n MET 787 Cb 0.05 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 1.04 1.18 0.96 3.03 0.00 -0.43 -4.37 105.19 106.60 3ihy n GLY 788 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.49 -2.48 0.05 -0.02 0.00 0.00 -4.31 105.19 96.93 3ihy n GLY 789 Ca 0.00 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.54 3ihy n GLY 789 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ihy n THR 790 N -0.73 0.46 0.43 2.61 -2.24 -1.26 -2.84 114.28 110.71 3ihy n THR 790 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3ihy n THR 790 Cb 0.00 -0.71 0.38 0.00 -2.10 0.00 0.00 70.33 67.91 3ihy n THR 790 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3ihy h GLN 791 N 0.00 0.00 -6.60 -0.78 1.08 -1.97 -3.47 115.11 103.37 3ihy h GLN 791 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3ihy h GLN 791 Cb 0.50 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 3ihy h GLN 791 CO 0.00 0.00 0.22 -1.54 -0.95 0.00 0.00 178.83 176.56 3ihy s SER 792 N -5.12 7.41 0.37 1.46 1.04 -1.13 -4.94 113.70 112.79 3ihy s SER 792 Ca 0.07 1.70 0.21 0.00 0.48 0.00 0.00 55.95 58.42 3ihy s SER 792 Cb 0.09 -2.52 1.33 0.00 0.10 0.00 0.00 66.02 65.02 3ihy s SER 792 CO 0.58 0.17 1.59 -0.33 0.98 0.00 0.00 173.24 176.22 3ihy h GLU 793 N 4.13 0.02 -0.14 4.02 3.07 -1.91 -1.56 114.58 122.20 3ihy h GLU 793 Ca -0.47 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.37 3ihy h GLU 793 Cb 1.20 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3ihy h GLU 793 CO 0.66 0.02 -0.01 1.96 -1.40 0.00 0.00 179.01 180.24 3ihy h GLN 794 N 0.03 0.26 -0.87 2.33 7.50 -1.92 -1.43 115.11 121.01 3ihy h GLN 794 Ca 0.84 -0.09 0.10 0.00 0.50 0.00 0.00 58.65 60.01 3ihy h GLN 794 Cb 2.22 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 29.67 3ihy h GLN 794 CO -0.75 0.51 0.56 -0.92 -1.50 0.00 0.00 178.83 176.73 3ihy h TYR 795 N -0.01 0.89 -0.07 2.96 3.20 -1.50 -0.25 116.97 122.19 3ihy h TYR 795 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ihy h TYR 795 Cb 0.40 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3ihy h TYR 795 CO 0.04 0.40 0.02 1.96 -1.64 0.00 0.00 178.16 178.93 3ihy h GLN 796 N 0.81 0.11 -0.90 1.82 1.08 -0.87 -2.65 115.11 114.52 3ihy h GLN 796 Ca 0.41 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.64 3ihy h GLN 796 Cb 0.47 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.83 3ihy h GLN 796 CO -0.17 0.29 0.56 1.49 -0.95 0.00 0.00 178.83 180.05 3ihy h GLU 797 N -0.10 1.00 -0.25 1.46 4.57 -1.00 -1.87 114.58 118.39 3ihy h GLU 797 Ca 0.02 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3ihy h GLU 797 Cb 0.23 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 3ihy h GLU 797 CO -0.00 0.66 -0.43 0.35 -1.18 0.00 0.00 179.01 178.42 3ihy h PHE 798 N 1.03 -1.24 -0.48 0.92 3.57 -0.85 -0.51 116.94 119.39 3ihy h PHE 798 Ca 0.39 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 3ihy h PHE 798 Cb 0.15 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3ihy h PHE 798 CO -0.02 -0.46 0.25 0.00 -2.23 0.00 0.00 178.31 175.85 3ihy h ARG 799 N -0.42 0.67 -0.80 1.11 3.08 -1.06 0.04 114.38 117.00 3ihy h ARG 799 Ca 0.10 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.16 3ihy h ARG 799 Cb 0.61 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 3ihy h ARG 799 CO -0.48 0.54 0.52 -0.22 -1.07 0.00 0.00 179.97 179.27 3ihy h LYS 800 N 0.63 0.73 -0.04 0.04 3.64 -1.14 -1.53 116.57 118.89 3ihy h LYS 800 Ca 0.17 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.26 3ihy h LYS 800 Cb 0.07 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3ihy h LYS 800 CO -0.03 0.48 -0.93 1.96 -2.27 0.00 0.00 179.45 178.67 3ihy h GLN 801 N 0.75 0.62 -0.24 1.90 1.08 0.00 -2.54 115.11 116.68 3ihy h GLN 801 Ca 0.37 -0.61 0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3ihy h GLN 801 Cb 0.43 0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 3ihy h GLN 801 CO -0.14 1.22 -0.15 0.00 -0.95 0.00 0.00 178.83 178.81 3ihy h TYR 803 N -0.13 -0.88 -0.91 0.00 0.05 -1.28 0.20 116.97 114.02 3ihy h TYR 803 Ca 0.13 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.99 3ihy h TYR 803 Cb 0.34 0.40 -0.05 0.00 1.01 0.00 0.00 36.73 38.42 3ihy h TYR 803 CO -0.32 -0.40 0.59 1.15 -1.05 0.00 0.00 178.16 178.13 3ihy h THR 804 N -0.40 1.14 -0.10 -2.88 2.02 -1.31 -1.60 112.91 109.78 3ihy h THR 804 Ca 0.09 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3ihy h THR 804 Cb 0.54 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3ihy h THR 804 CO -0.34 0.21 0.06 0.00 0.37 0.00 0.00 175.52 175.82 3ihy h ALA 805 N 1.38 0.13 -0.18 6.16 0.00 0.70 -1.83 119.26 125.60 3ihy h ALA 805 Ca 0.37 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3ihy h ALA 805 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ihy h ALA 805 CO -0.12 -0.39 0.05 0.35 0.00 0.00 0.00 179.25 179.13 3ihy h PHE 806 N 0.12 0.09 -0.88 0.00 3.57 -0.22 -2.11 116.94 117.51 3ihy h PHE 806 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3ihy h PHE 806 Cb -0.00 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3ihy h PHE 806 CO -0.08 0.04 0.46 -0.07 -2.23 0.00 0.00 178.31 176.43 3ihy h LEU 807 N 0.13 1.13 -0.51 0.59 3.38 -1.06 -2.15 115.31 116.82 3ihy h LEU 807 Ca 0.08 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3ihy h LEU 807 Cb 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ihy h LEU 807 CO -0.09 0.92 -0.03 0.45 0.09 0.00 0.00 178.44 179.78 3ihy h HIS 808 N 1.25 1.01 -0.20 1.13 3.86 -1.14 -3.15 115.15 117.90 3ihy h HIS 808 Ca 0.31 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3ihy h HIS 808 Cb 0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 3ihy h HIS 808 CO 0.01 0.94 -0.33 -0.07 0.86 0.00 0.00 177.93 179.35 3ihy h LEU 809 N 0.78 0.43 -1.48 2.43 3.38 -1.23 -2.32 115.31 117.30 3ihy h LEU 809 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 809 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3ihy h LEU 809 CO 0.03 0.73 0.40 0.03 0.09 0.00 0.00 178.44 179.72 3ihy h ARG 810 N 0.36 0.65 0.00 1.13 3.08 -1.38 -2.03 114.38 116.18 3ihy h ARG 810 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ihy h ARG 810 Cb 0.75 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3ihy h ARG 810 CO 0.06 0.43 0.00 0.54 -1.07 0.00 0.00 179.97 179.93 3ihy n ARG 811 N -4.47 0.16 -0.38 0.04 1.74 -0.88 -1.86 116.66 111.01 3ihy n ARG 811 Ca 0.08 0.31 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 3ihy n ARG 811 Cb 0.17 -1.77 0.24 0.00 -1.02 0.00 0.00 32.46 30.08 3ihy n ARG 811 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ihy n TYR 812 N -2.06 0.85 0.09 -1.55 4.01 -0.78 -4.68 117.16 113.03 3ihy n TYR 812 Ca 0.04 -0.75 0.07 0.00 -0.16 0.00 0.00 57.90 57.10 3ihy n TYR 812 Cb 0.28 -0.23 0.52 0.00 -0.31 0.00 0.00 39.34 39.60 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 2.02 0.27 -0.50 7.72 4.64 -1.15 0.72 113.55 127.28 3ihy h SER 813 Ca 0.00 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3ihy h SER 813 Cb 1.24 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3ihy h SER 813 CO 0.16 0.19 -0.05 0.78 -0.87 0.00 0.00 176.83 177.05 3ihy h ASN 814 N 0.32 0.91 0.26 4.97 4.21 -1.83 0.14 115.58 124.55 3ihy h ASN 814 Ca 0.11 -0.33 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 3ihy h ASN 814 Cb 0.06 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.02 3ihy h ASN 814 CO -0.02 1.02 -0.12 0.25 -1.29 0.00 0.00 177.43 177.26 3ihy h LEU 815 N 0.77 -0.29 -0.26 1.61 5.85 -1.56 -0.37 115.31 121.07 3ihy h LEU 815 Ca 0.14 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ihy h LEU 815 Cb 0.58 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 3ihy h LEU 815 CO 0.04 0.08 -0.18 0.40 -0.34 0.00 0.00 178.44 178.44 3ihy h ILE 816 N -0.71 0.50 -0.80 4.05 2.04 -0.89 -1.07 117.51 120.63 3ihy h ILE 816 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3ihy h ILE 816 Cb 0.48 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3ihy h ILE 816 CO 0.06 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.50 3ihy h LEU 817 N -0.17 1.06 -0.93 1.44 3.38 -0.72 -2.22 115.31 117.15 3ihy h LEU 817 Ca 0.14 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 817 Cb 0.38 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3ihy h LEU 817 CO -0.36 0.91 0.61 0.78 0.09 0.00 0.00 178.44 180.47 3ihy h ASN 818 N 1.14 1.00 -0.58 -0.43 4.21 -0.38 -2.27 115.58 118.27 3ihy h ASN 818 Ca 0.27 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.68 3ihy h ASN 818 Cb 0.14 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3ihy h ASN 818 CO -0.03 0.68 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.68 3ihy h LEU 819 N 1.16 1.03 -0.80 1.61 3.38 -0.65 -2.97 115.31 118.08 3ihy h LEU 819 Ca 0.38 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3ihy h LEU 819 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3ihy h LEU 819 CO -0.13 1.10 -0.25 -0.26 0.09 0.00 0.00 178.44 179.00 3ihy h PHE 820 N 0.95 0.71 -0.20 1.13 0.04 -1.11 -2.99 116.94 115.47 3ihy h PHE 820 Ca 0.16 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 3ihy h PHE 820 Cb 0.59 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3ihy h PHE 820 CO 0.04 0.81 -0.27 0.77 -0.60 0.00 0.00 178.31 179.07 3ihy h SER 821 N 0.55 0.37 0.05 2.17 0.02 -1.32 0.85 113.55 116.24 3ihy h SER 821 Ca 0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3ihy h SER 821 Cb 0.71 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3ihy h SER 821 CO 0.05 0.64 0.00 0.18 -1.14 0.00 0.00 176.83 176.56 3ihy n LEU 822 N -4.13 0.00 -0.44 5.07 4.77 -1.13 -2.40 117.00 118.74 3ihy n LEU 822 Ca -0.01 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 3ihy n LEU 822 Cb 0.40 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3ihy n LEU 822 CO 0.41 -0.06 0.50 0.80 -1.33 0.00 0.00 177.39 177.71 3ihy n MET 823 N -1.09 1.64 0.24 3.23 1.56 0.29 -4.52 117.12 118.47 3ihy n MET 823 Ca 0.06 -1.51 0.09 0.00 -0.27 0.00 0.00 57.70 56.07 3ihy n MET 823 Cb 0.04 -1.19 0.61 0.00 2.15 0.00 0.00 33.22 34.83 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 1.68 0.81 -0.54 1.12 -1.51 -1.49 -2.07 116.25 114.25 3ihy h VAL 824 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3ihy h VAL 824 Cb 0.54 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3ihy h VAL 824 CO 0.00 0.17 0.00 0.47 -1.23 0.00 0.00 177.57 176.98 3ihy n ASP 825 N -3.89 5.09 -4.78 4.19 10.43 -1.26 -4.83 116.55 121.51 3ihy n ASP 825 Ca -0.02 -2.78 -0.39 0.00 2.57 0.00 0.00 54.79 54.18 3ihy n ASP 825 Cb 0.26 -0.62 -0.06 0.00 1.84 0.00 0.00 41.12 42.54 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 -2.45 3.40 -1.01 2.24 0.00 -0.78 -4.97 121.76 118.19 3ihy s ALA 826 Ca 0.51 0.41 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 3ihy s ALA 826 Cb 0.37 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 3ihy s ALA 826 CO 0.17 0.27 2.01 0.09 0.00 0.00 0.00 175.76 178.30 3ihy n ASN 827 N 1.36 3.00 -4.01 0.00 3.02 -1.26 -4.43 115.26 112.95 3ihy n ASN 827 Ca -0.04 -2.73 -0.29 0.00 -0.03 0.00 0.00 54.58 51.49 3ihy n ASN 827 Cb 0.49 -1.32 -0.17 0.00 -0.61 0.00 0.00 39.78 38.17 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 4.72 1.41 0.21 2.41 1.01 -1.26 -4.90 121.20 124.80 3ihy s ILE 828 Ca 0.55 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 3ihy s ILE 828 Cb 0.13 -1.33 0.21 0.00 0.01 0.00 0.00 42.46 41.48 3ihy s ILE 828 CO 0.06 0.43 1.59 -0.65 0.00 0.00 0.00 174.94 176.36 3ihy h PRO 829 N 7.84 -0.08 -0.02 2.79 0.11 -1.98 0.20 132.00 140.86 3ihy h PRO 829 Ca -0.34 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 3ihy h PRO 829 Cb 1.15 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ihy h PRO 829 CO 0.49 -0.05 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.28 3ihy h ASP 830 N -0.08 0.07 -0.02 -2.05 3.32 -1.94 -0.50 116.42 115.21 3ihy h ASP 830 Ca 0.30 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 3ihy h ASP 830 Cb 0.56 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.10 3ihy h ASP 830 CO -0.76 0.56 -0.81 0.40 -1.72 0.00 0.00 179.24 176.91 3ihy h ILE 831 N 0.05 1.30 0.00 0.35 2.04 -1.65 -3.32 117.51 116.29 3ihy h ILE 831 Ca -0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 3ihy h ILE 831 Cb 0.92 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3ihy h ILE 831 CO 0.07 0.64 -0.23 0.00 0.00 0.00 0.00 178.15 178.63 3ihy h ALA 832 N 0.63 0.97 -0.64 1.87 0.00 -0.13 -2.68 119.26 119.27 3ihy h ALA 832 Ca -0.06 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ihy h ALA 832 Cb 1.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3ihy h ALA 832 CO 0.16 0.29 0.42 1.25 0.00 0.00 0.00 179.25 181.37 3ihy h LEU 833 N 0.00 0.63 -5.07 0.00 5.85 -1.20 -3.36 115.31 112.15 3ihy h LEU 833 Ca -0.00 -0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 3ihy h LEU 833 Cb 0.84 -0.14 -0.16 0.00 0.37 0.00 0.00 40.66 41.57 3ihy h LEU 833 CO 0.03 0.43 -0.53 -0.62 -0.34 0.00 0.00 178.44 177.40 3ihy n GLU 834 N -4.47 0.76 -0.06 1.25 1.02 -1.18 -5.04 120.64 112.92 3ihy n GLU 834 Ca 0.08 -1.85 0.08 0.00 -0.02 0.00 0.00 57.16 55.46 3ihy n GLU 834 Cb 0.16 -1.45 0.46 0.00 -0.02 0.00 0.00 31.44 30.58 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 4.05 0.49 0.00 3.49 0.11 -1.64 -1.78 132.00 136.72 3ihy h PRO 835 Ca -0.12 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 3ihy h PRO 835 Cb 1.02 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3ihy h PRO 835 CO 0.32 0.32 -0.20 0.38 -0.21 0.00 0.00 178.00 178.61 3ihy h ASP 836 N 0.50 0.00 -0.46 -2.05 2.03 -1.93 -3.12 116.42 111.40 3ihy h ASP 836 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3ihy h ASP 836 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3ihy h ASP 836 CO -0.06 0.20 0.00 0.29 -1.03 0.00 0.00 179.24 178.64 3ihy n LYS 837 N -3.30 3.23 0.30 4.15 4.01 -0.69 -4.69 118.16 121.17 3ihy n LYS 837 Ca 0.01 -2.60 -0.15 0.00 -0.51 0.00 0.00 58.31 55.06 3ihy n LYS 837 Cb 0.46 -1.67 -0.08 0.00 -0.51 0.00 0.00 35.03 33.23 3ihy n LYS 837 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 3ihy h THR 838 N 2.86 0.27 -0.61 -0.18 2.02 -1.44 -2.35 112.91 113.48 3ihy h THR 838 Ca 0.00 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.90 3ihy h THR 838 Cb 1.20 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3ihy h THR 838 CO 0.15 0.04 0.30 0.58 0.37 0.00 0.00 175.52 176.95 3ihy h VAL 839 N -1.05 0.89 -0.97 3.16 2.07 -1.84 -2.57 116.25 115.95 3ihy h VAL 839 Ca -0.08 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3ihy h VAL 839 Cb 0.66 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3ihy h VAL 839 CO 0.13 0.10 0.61 0.50 0.02 0.00 0.00 177.57 178.93 3ihy h LYS 840 N 0.54 1.02 -0.57 1.57 3.64 -1.81 -0.45 116.57 120.51 3ihy h LYS 840 Ca 0.29 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3ihy h LYS 840 Cb 0.25 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3ihy h LYS 840 CO -0.22 0.67 0.12 0.87 -2.27 0.00 0.00 179.45 178.62 3ihy h LYS 841 N 1.05 0.89 -0.05 1.90 1.57 -1.00 -0.16 116.57 120.77 3ihy h LYS 841 Ca 0.45 -0.20 -0.21 0.00 -1.87 0.00 0.00 60.65 58.82 3ihy h LYS 841 Cb 0.30 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ihy h LYS 841 CO -0.21 0.81 -0.79 0.28 -0.57 0.00 0.00 179.45 178.97 3ihy h VAL 842 N 0.85 1.33 -0.78 0.50 2.07 -1.31 -3.28 116.25 115.63 3ihy h VAL 842 Ca 0.18 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 3ihy h VAL 842 Cb 0.33 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 3ihy h VAL 842 CO 0.00 0.63 0.43 -0.61 0.02 0.00 0.00 177.57 178.05 3ihy h GLN 843 N 0.26 1.08 -0.19 1.57 4.15 -0.74 -2.93 115.11 118.31 3ihy h GLN 843 Ca -0.08 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 3ihy h GLN 843 Cb 1.45 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 3ihy h GLN 843 CO 0.16 0.79 -0.17 -0.44 -1.93 0.00 0.00 178.83 177.24 3ihy h ASP 844 N 1.07 0.31 0.31 -0.69 3.32 -1.12 -1.76 116.42 117.86 3ihy h ASP 844 Ca 0.27 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3ihy h ASP 844 Cb 0.02 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ihy h ASP 844 CO -0.05 0.50 -0.16 0.11 -1.72 0.00 0.00 179.24 177.92 3ihy h LYS 845 N 0.30 0.00 0.00 3.56 1.79 -1.57 -2.06 116.57 118.59 3ihy h LYS 845 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3ihy h LYS 845 Cb 0.48 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3ihy h LYS 845 CO 0.03 0.16 -0.14 0.74 -1.08 0.00 0.00 179.45 179.17 3ihy h PHE 846 N 0.00 0.00 -5.90 -1.35 0.04 -1.35 -3.48 116.94 104.90 3ihy h PHE 846 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 3ihy h PHE 846 Cb 0.36 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.65 3ihy h PHE 846 CO 0.00 0.14 -0.91 0.54 -0.60 0.00 0.00 178.31 177.48 3ihy n ARG 847 N -3.28 -1.67 0.11 1.51 5.12 -0.78 -4.87 116.66 112.81 3ihy n ARG 847 Ca 0.00 0.63 0.11 0.00 -1.93 0.00 0.00 57.85 56.66 3ihy n ARG 847 Cb 0.39 -4.84 0.47 0.00 -1.16 0.00 0.00 32.46 27.32 3ihy n ARG 847 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3ihy n LEU 848 N -3.79 0.57 0.17 0.55 4.77 -1.26 -1.88 117.00 116.13 3ihy n LEU 848 Ca -0.08 0.64 0.04 0.00 -0.03 0.00 0.00 56.01 56.58 3ihy n LEU 848 Cb 0.60 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 3ihy n LEU 848 CO 0.64 -0.53 0.60 -2.24 -1.33 0.00 0.00 177.39 174.54 3ihy h ASP 849 N 0.00 0.00 -2.60 -1.43 2.03 -1.95 -3.45 116.42 109.02 3ihy h ASP 849 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 3ihy h ASP 849 Cb 0.34 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 38.93 3ihy h ASP 849 CO 0.00 0.43 0.15 -0.76 -1.03 0.00 0.00 179.24 178.03 3ihy s LEU 850 N -6.88 2.95 0.27 0.15 1.43 -0.79 -5.11 118.68 110.70 3ihy s LEU 850 Ca 0.01 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3ihy s LEU 850 Cb 0.10 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 3ihy s LEU 850 CO 0.71 -1.91 -0.00 -0.94 0.23 0.00 0.00 176.35 174.43 3ihy s SER 851 N -4.71 2.30 0.28 2.29 1.04 -1.26 -4.81 113.70 108.83 3ihy s SER 851 Ca 0.66 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 3ihy s SER 851 Cb -0.06 -0.08 0.64 0.00 0.10 0.00 0.00 66.02 66.62 3ihy s SER 851 CO 0.45 -0.48 1.47 0.47 0.98 0.00 0.00 173.24 176.13 3ihy n ASP 852 N -0.55 -0.17 -0.11 7.02 9.92 -1.26 0.21 116.55 131.61 3ihy n ASP 852 Ca -0.04 1.60 -0.14 0.00 -0.53 0.00 0.00 54.79 55.68 3ihy n ASP 852 Cb 0.64 -0.56 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 3ihy n ASP 852 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3ihy h GLU 853 N 0.00 0.87 0.00 -1.24 4.81 -2.00 -1.56 114.58 115.45 3ihy h GLU 853 Ca 0.54 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3ihy h GLU 853 Cb 1.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3ihy h GLU 853 CO -0.91 1.11 -0.60 0.93 -0.73 0.00 0.00 179.01 178.82 3ihy h GLU 854 N 0.66 0.00 0.04 1.92 5.08 0.70 -2.57 114.58 120.40 3ihy h GLU 854 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ihy h GLU 854 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ihy h GLU 854 CO 0.09 0.36 -0.02 0.00 -1.00 0.00 0.00 179.01 178.45 3ihy h ALA 855 N 1.59 -0.05 -0.29 3.43 0.00 0.26 -0.89 119.26 123.31 3ihy h ALA 855 Ca -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ihy h ALA 855 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3ihy h ALA 855 CO 0.05 -0.42 0.18 0.28 0.00 0.00 0.00 179.25 179.34 3ihy h VAL 856 N -0.26 1.10 -0.83 0.00 2.07 -1.29 0.17 116.25 117.21 3ihy h VAL 856 Ca -0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3ihy h VAL 856 Cb 0.24 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3ihy h VAL 856 CO 0.01 0.10 0.54 -0.74 0.02 0.00 0.00 177.57 177.50 3ihy h HIS 857 N 0.38 0.95 -0.27 1.57 6.17 -1.47 -0.84 115.15 121.63 3ihy h HIS 857 Ca 0.11 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.16 3ihy h HIS 857 Cb 0.01 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.61 3ihy h HIS 857 CO -0.04 0.51 -0.01 -0.92 0.71 0.00 0.00 177.93 178.18 3ihy h TYR 858 N 0.95 0.54 -0.12 5.26 3.20 -0.23 -2.93 116.97 123.64 3ihy h TYR 858 Ca 0.35 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3ihy h TYR 858 Cb 0.17 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3ihy h TYR 858 CO -0.00 0.65 0.05 1.98 -1.64 0.00 0.00 178.16 179.20 3ihy h MET 859 N 0.26 0.12 -1.01 1.82 4.05 -0.58 -0.68 114.93 118.91 3ihy h MET 859 Ca 0.08 -0.01 0.24 0.00 -0.28 0.00 0.00 59.70 59.73 3ihy h MET 859 Cb 0.45 -0.03 -0.12 0.00 -0.80 0.00 0.00 31.60 31.10 3ihy h MET 859 CO 0.02 0.08 0.61 0.37 0.23 0.00 0.00 176.91 178.21 3ihy h GLN 860 N 0.12 0.58 0.02 0.39 4.15 -1.19 -0.06 115.11 119.12 3ihy h GLN 860 Ca 0.05 -0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.23 3ihy h GLN 860 Cb 0.01 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3ihy h GLN 860 CO -0.04 0.38 -0.96 0.77 -1.93 0.00 0.00 178.83 177.06 3ihy h SER 861 N 0.59 0.11 -0.33 -0.69 0.02 -1.22 0.13 113.55 112.17 3ihy h SER 861 Ca 0.63 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.48 3ihy h SER 861 Cb 1.20 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3ihy h SER 861 CO -0.44 1.00 0.20 -0.07 -1.14 0.00 0.00 176.83 176.38 3ihy h LEU 862 N 0.03 0.33 0.31 5.07 3.38 0.24 -1.57 115.31 123.10 3ihy h LEU 862 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ihy h LEU 862 Cb 1.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3ihy h LEU 862 CO 0.13 0.24 -0.15 0.40 0.09 0.00 0.00 178.44 179.15 3ihy h ILE 863 N 0.40 0.70 -0.90 1.22 2.04 -0.91 -2.04 117.51 118.02 3ihy h ILE 863 Ca 0.13 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.52 3ihy h ILE 863 Cb -0.01 0.99 -0.12 0.00 -0.74 0.00 0.00 36.82 36.93 3ihy h ILE 863 CO -0.05 0.11 -0.55 0.44 0.00 0.00 0.00 178.15 178.10 3ihy h ASP 864 N -0.73 -1.98 0.01 1.72 5.19 -1.03 0.12 116.42 119.71 3ihy h ASP 864 Ca -0.04 0.31 0.03 0.00 -0.62 0.00 0.00 57.03 56.71 3ihy h ASP 864 Cb 0.50 0.89 -0.05 0.00 0.18 0.00 0.00 39.33 40.85 3ihy h ASP 864 CO 0.07 -0.27 -0.28 -0.08 -3.12 0.00 0.00 179.24 175.56 3ihy h GLU 865 N -0.07 -0.41 0.76 3.56 4.81 -1.29 -1.25 114.58 120.69 3ihy h GLU 865 Ca 0.18 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3ihy h GLU 865 Cb 0.47 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3ihy h GLU 865 CO -0.89 -0.27 -0.44 0.77 -0.73 0.00 0.00 179.01 177.45 3ihy h SER 866 N -0.43 -1.08 0.00 1.04 0.02 -0.59 -0.45 113.55 112.06 3ihy h SER 866 Ca 0.06 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3ihy h SER 866 Cb 0.51 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3ihy h SER 866 CO -0.23 -0.69 0.08 0.58 -1.14 0.00 0.00 176.83 175.42 3ihy h VAL 867 N -1.11 0.00 0.19 2.27 2.07 -1.03 -0.72 116.25 117.92 3ihy h VAL 867 Ca -0.10 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.07 3ihy h VAL 867 Cb 0.88 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3ihy h VAL 867 CO 0.12 0.00 -1.74 -0.74 0.02 0.00 0.00 177.57 175.23 3ihy h HIS 868 N 0.00 0.74 0.04 1.57 6.17 -0.70 -3.37 115.15 119.60 3ihy h HIS 868 Ca 0.00 -0.54 0.01 0.00 0.71 0.00 0.00 60.37 60.55 3ihy h HIS 868 Cb 0.15 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 3ihy h HIS 868 CO 0.00 1.68 -0.38 0.00 0.71 0.00 0.00 177.93 179.94 3ihy h ALA 869 N 0.12 -0.84 -2.82 5.26 0.00 0.30 -3.35 119.26 117.92 3ihy h ALA 869 Ca -0.34 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 3ihy h ALA 869 Cb 2.11 0.80 0.14 0.00 0.00 0.00 0.00 17.79 20.83 3ihy h ALA 869 CO 0.18 -0.95 0.43 1.28 0.00 0.00 0.00 179.25 180.20 3ihy n LEU 870 N -4.59 4.36 0.00 0.00 4.77 -0.53 -5.11 117.00 115.90 3ihy n LEU 870 Ca -0.06 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3ihy n LEU 870 Cb 0.29 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3ihy n LEU 870 CO 0.10 -0.92 0.00 0.49 -1.33 0.00 0.00 177.39 175.72