#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hp6 s LYS 298 N 0.00 2.16 -0.02 0.00 2.20 -1.26 -5.09 119.74 117.72 3hp6 s LYS 298 Ca 0.00 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 3hp6 s LYS 298 Cb 0.00 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 3hp6 s LYS 298 CO 0.00 -0.17 1.11 1.41 -0.36 0.00 0.00 175.35 177.34 3hp6 s MET 299 N 1.31 4.43 0.24 4.03 -2.45 -1.26 -4.99 119.30 120.62 3hp6 s MET 299 Ca 0.00 1.58 -0.30 0.00 -1.25 0.00 0.00 55.69 55.73 3hp6 s MET 299 Cb -0.14 -3.48 -0.09 0.00 1.25 0.00 0.00 34.83 32.37 3hp6 s MET 299 CO -0.07 -0.28 1.21 0.00 1.05 0.00 0.00 175.02 176.93 3hp6 s ALA 300 N 1.62 3.45 0.19 4.11 0.00 -1.26 -5.04 121.76 124.84 3hp6 s ALA 300 Ca 0.54 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 53.29 3hp6 s ALA 300 Cb -0.24 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.53 3hp6 s ALA 300 CO 0.24 -0.38 0.63 -0.59 0.00 0.00 0.00 175.76 175.66 3hp6 s PHE 301 N -0.55 -0.44 -0.27 0.00 -0.12 -1.26 -4.68 117.98 110.65 3hp6 s PHE 301 Ca 0.50 0.16 -0.16 0.00 -0.05 0.00 0.00 56.93 57.39 3hp6 s PHE 301 Cb -0.34 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 3hp6 s PHE 301 CO 0.41 -0.95 0.42 0.99 -0.05 0.00 0.00 175.22 176.04 3hp6 s THR 302 N -3.80 5.14 -0.93 -4.49 2.01 -0.46 -4.99 115.64 108.11 3hp6 s THR 302 Ca 0.04 0.63 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 3hp6 s THR 302 Cb -0.02 -3.75 0.10 0.00 0.01 0.00 0.00 72.50 68.84 3hp6 s THR 302 CO -0.08 0.11 1.21 -0.22 -0.69 0.00 0.00 174.62 174.96 3hp6 s LEU 303 N 2.15 4.50 0.35 4.42 2.96 -1.26 -0.82 118.68 130.99 3hp6 s LEU 303 Ca 0.17 -1.76 -0.19 0.00 -0.22 0.00 0.00 54.13 52.13 3hp6 s LEU 303 Cb -0.16 -2.45 -0.10 0.00 0.50 0.00 0.00 46.19 43.98 3hp6 s LEU 303 CO 0.10 -1.24 0.85 0.00 -1.32 0.00 0.00 176.35 174.74 3hp6 s ALA 304 N 3.53 3.20 -0.36 5.97 0.00 -0.44 -4.98 121.76 128.70 3hp6 s ALA 304 Ca 0.36 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.70 3hp6 s ALA 304 Cb -0.04 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 3hp6 s ALA 304 CO -0.08 0.23 0.41 -0.25 0.00 0.00 0.00 175.76 176.07 3hp6 n ASP 305 N -0.22 1.15 -3.88 0.00 8.00 -1.26 -4.55 116.55 115.79 3hp6 n ASP 305 Ca 0.04 -0.50 -0.09 0.00 0.71 0.00 0.00 54.79 54.95 3hp6 n ASP 305 Cb 0.53 1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 42.74 3hp6 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hp6 s ARG 306 N -2.33 0.89 -0.01 -1.24 1.70 -1.26 -5.04 118.95 111.65 3hp6 s ARG 306 Ca 0.01 -1.00 -0.28 0.00 -0.47 0.00 0.00 55.73 53.99 3hp6 s ARG 306 Cb 0.08 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 3hp6 s ARG 306 CO 0.48 -0.29 0.91 0.08 -1.08 0.00 0.00 175.30 175.40 3hp6 s VAL 307 N -3.88 4.91 0.29 4.99 1.01 -1.26 -5.06 120.40 121.39 3hp6 s VAL 307 Ca 0.07 1.91 0.10 0.00 0.00 0.00 0.00 61.98 64.06 3hp6 s VAL 307 Cb 0.05 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3hp6 s VAL 307 CO -0.09 0.18 -0.04 0.42 0.00 0.00 0.00 175.10 175.58 3hp6 s THR 308 N 0.94 3.05 0.26 3.92 -4.23 -1.26 -5.05 115.64 113.27 3hp6 s THR 308 Ca 0.48 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3hp6 s THR 308 Cb -0.20 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.16 3hp6 s THR 308 CO 0.26 -0.34 1.83 -0.33 -0.54 0.00 0.00 174.62 175.50 3hp6 h GLU 309 N 1.94 0.89 0.00 3.99 4.39 -1.99 -1.34 114.58 122.47 3hp6 h GLU 309 Ca -0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3hp6 h GLU 309 Cb 1.25 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3hp6 h GLU 309 CO 0.62 0.59 0.00 1.05 -1.16 0.00 0.00 179.01 180.11 3hp6 h GLU 310 N 0.92 0.00 0.00 2.33 4.11 -2.01 0.58 114.58 120.50 3hp6 h GLU 310 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3hp6 h GLU 310 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hp6 h GLU 310 CO -0.24 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.51 3hp6 n MET 311 N -2.99 0.11 -1.24 1.06 2.81 -0.50 -3.80 117.12 112.57 3hp6 n MET 311 Ca -0.02 0.26 -0.15 0.00 -1.81 0.00 0.00 57.70 55.98 3hp6 n MET 311 Cb 0.13 -1.68 0.13 0.00 -0.71 0.00 0.00 33.22 31.09 3hp6 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hp6 n LEU 312 N -1.88 4.92 -4.73 4.03 4.77 0.19 -5.04 117.00 119.27 3hp6 n LEU 312 Ca 0.04 -4.14 -0.32 0.00 -0.03 0.00 0.00 56.01 51.56 3hp6 n LEU 312 Cb 0.27 -0.61 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3hp6 n LEU 312 CO 0.21 1.54 0.71 0.00 -1.33 0.00 0.00 177.39 178.52 3hp6 s ALA 313 N -3.44 1.96 -2.02 -1.18 0.00 -1.25 -4.93 121.76 110.89 3hp6 s ALA 313 Ca 0.50 0.49 0.22 0.00 0.00 0.00 0.00 51.96 53.17 3hp6 s ALA 313 Cb 0.43 -3.37 1.26 0.00 0.00 0.00 0.00 23.12 21.44 3hp6 s ALA 313 CO 0.01 -2.12 1.82 -0.40 0.00 0.00 0.00 175.76 175.07 3hp6 n ASP 314 N -3.60 0.12 -3.72 0.00 3.85 -1.26 -4.58 116.55 107.36 3hp6 n ASP 314 Ca 0.11 -1.35 -0.14 0.00 -0.71 0.00 0.00 54.79 52.71 3hp6 n ASP 314 Cb 0.52 -0.01 -0.14 0.00 -1.35 0.00 0.00 41.12 40.15 3hp6 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3hp6 s LYS 315 N -1.99 0.13 -0.01 0.11 2.47 -1.26 -0.77 119.74 118.42 3hp6 s LYS 315 Ca 0.33 0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 54.97 3hp6 s LYS 315 Cb 0.15 -0.16 0.05 0.00 -1.46 0.00 0.00 37.83 36.41 3hp6 s LYS 315 CO 0.25 -0.19 0.54 0.00 0.16 0.00 0.00 175.35 176.11 3hp6 s ALA 316 N 1.44 -1.38 -0.00 3.13 0.00 -0.68 -4.52 121.76 119.75 3hp6 s ALA 316 Ca -0.07 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 3hp6 s ALA 316 Cb -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3hp6 s ALA 316 CO -0.07 -0.39 0.90 0.00 0.00 0.00 0.00 175.76 176.20 3hp6 s ALA 317 N -1.63 3.22 -0.05 0.00 0.00 0.03 -0.63 121.76 122.71 3hp6 s ALA 317 Ca -0.10 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3hp6 s ALA 317 Cb -0.01 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 3hp6 s ALA 317 CO 0.05 -0.17 -0.17 -1.17 0.00 0.00 0.00 175.76 174.30 3hp6 s LEU 318 N 0.81 1.90 -0.15 0.00 2.96 -0.23 -1.13 118.68 122.84 3hp6 s LEU 318 Ca 0.47 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3hp6 s LEU 318 Cb -0.20 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.51 3hp6 s LEU 318 CO 0.26 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.58 3hp6 s VAL 319 N 0.13 1.67 -0.37 1.68 1.01 0.13 -4.47 120.40 120.18 3hp6 s VAL 319 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3hp6 s VAL 319 Cb -0.12 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.82 3hp6 s VAL 319 CO 0.03 0.48 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 3hp6 s VAL 320 N 1.31 1.97 -0.22 2.92 1.01 -1.26 -1.16 120.40 124.96 3hp6 s VAL 320 Ca 0.02 -2.32 -0.22 0.00 0.00 0.00 0.00 61.98 59.45 3hp6 s VAL 320 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3hp6 s VAL 320 CO -0.09 -0.67 0.72 -0.70 0.00 0.00 0.00 175.10 174.36 3hp6 s GLU 321 N 0.81 4.19 -0.28 2.72 2.56 -0.25 -4.64 118.70 123.81 3hp6 s GLU 321 Ca 0.12 0.76 0.03 0.00 0.00 0.00 0.00 54.97 55.89 3hp6 s GLU 321 Cb -0.20 -3.61 0.07 0.00 2.00 0.00 0.00 34.13 32.38 3hp6 s GLU 321 CO -0.10 -0.38 -0.07 0.08 -0.56 0.00 0.00 175.26 174.24 3hp6 s VAL 322 N 2.37 2.19 0.11 3.70 1.01 -1.26 -0.65 120.40 127.86 3hp6 s VAL 322 Ca 0.31 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.51 3hp6 s VAL 322 Cb -0.16 -2.38 -0.23 0.00 0.00 0.00 0.00 36.38 33.62 3hp6 s VAL 322 CO 0.09 -0.19 1.25 0.58 0.00 0.00 0.00 175.10 176.84 3hp6 h VAL 323 N 6.72 1.67 -3.06 2.92 2.07 -1.95 -3.45 116.25 121.17 3hp6 h VAL 323 Ca -0.15 -3.33 -0.53 0.00 0.82 0.00 0.00 66.70 63.51 3hp6 h VAL 323 Cb 1.04 2.86 0.05 0.00 -1.52 0.00 0.00 31.29 33.71 3hp6 h VAL 323 CO 0.48 0.96 0.81 -1.61 0.02 0.00 0.00 177.57 178.23 3hp6 s GLU 324 N -2.71 4.25 0.19 1.57 2.02 -1.26 -4.88 118.70 117.88 3hp6 s GLU 324 Ca -0.00 2.30 -0.12 0.00 0.02 0.00 0.00 54.97 57.17 3hp6 s GLU 324 Cb 0.09 -3.15 0.13 0.00 0.10 0.00 0.00 34.13 31.30 3hp6 s GLU 324 CO 0.83 -0.51 1.85 0.93 0.02 0.00 0.00 175.26 178.38 3hp6 h GLU 325 N 6.13 0.79 -5.55 1.61 5.08 -2.03 -3.33 114.58 117.28 3hp6 h GLU 325 Ca -0.44 -0.05 -0.64 0.00 -1.00 0.00 0.00 59.36 57.24 3hp6 h GLU 325 Cb 1.21 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 3hp6 h GLU 325 CO 0.86 0.52 0.33 1.21 -1.00 0.00 0.00 179.01 180.92 3hp6 s ASN 326 N -5.73 6.32 0.00 1.42 3.84 -1.26 -4.93 114.94 114.60 3hp6 s ASN 326 Ca -0.13 -0.45 0.31 0.00 0.21 0.00 0.00 52.86 52.80 3hp6 s ASN 326 Cb 0.14 -2.37 1.59 0.00 -0.55 0.00 0.00 41.25 40.05 3hp6 s ASN 326 CO 0.76 -1.01 2.07 0.00 -2.79 0.00 0.00 177.10 176.12 3hp6 n TYR 327 N 6.81 0.00 -2.01 0.43 0.18 -1.25 -4.70 117.16 116.61 3hp6 n TYR 327 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 3hp6 n TYR 327 Cb 0.47 -0.17 -0.03 0.00 -0.38 0.00 0.00 39.34 39.24 3hp6 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3hp6 s HIS 328 N -2.35 2.52 -1.40 -3.48 3.76 -1.26 -2.34 115.29 110.74 3hp6 s HIS 328 Ca 0.35 0.45 -0.09 0.00 -0.15 0.00 0.00 55.06 55.63 3hp6 s HIS 328 Cb 0.21 -3.88 0.06 0.00 1.11 0.00 0.00 32.58 30.08 3hp6 s HIS 328 CO 0.43 -3.47 0.60 -3.47 -0.85 0.00 0.00 174.74 167.99 3hp6 n ASP 329 N 5.62 -4.59 -4.93 1.40 2.03 -1.26 -4.96 116.55 109.86 3hp6 n ASP 329 Ca 0.15 -0.42 -0.28 0.00 0.52 0.00 0.00 54.79 54.76 3hp6 n ASP 329 Cb 0.41 -3.74 -0.03 0.00 -0.72 0.00 0.00 41.12 37.04 3hp6 n ASP 329 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hp6 s ALA 330 N -3.06 3.91 0.51 -1.67 0.00 -0.99 -5.07 121.76 115.41 3hp6 s ALA 330 Ca 0.42 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 3hp6 s ALA 330 Cb -0.21 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.96 3hp6 s ALA 330 CO 0.51 0.56 1.27 -2.14 0.00 0.00 0.00 175.76 175.97 3hp6 s PRO 331 N -3.09 3.37 -0.19 0.00 0.02 -1.26 -4.95 135.00 128.89 3hp6 s PRO 331 Ca 0.36 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 63.27 3hp6 s PRO 331 Cb -0.11 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 3hp6 s PRO 331 CO 0.28 -0.94 0.31 0.42 -0.33 0.00 0.00 177.00 176.75 3hp6 s ILE 332 N -1.42 5.27 -0.44 2.83 1.01 -1.26 -4.48 121.20 122.72 3hp6 s ILE 332 Ca 0.69 0.55 0.22 0.00 0.00 0.00 0.00 60.65 62.10 3hp6 s ILE 332 Cb -0.35 -3.65 -0.27 0.00 0.01 0.00 0.00 42.46 38.20 3hp6 s ILE 332 CO 0.42 0.32 0.69 1.33 0.00 0.00 0.00 174.94 177.70 3hp6 n VAL 333 N 4.05 0.03 0.00 2.92 0.24 0.17 -4.79 118.33 120.95 3hp6 n VAL 333 Ca -0.11 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3hp6 n VAL 333 Cb 0.52 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3hp6 n VAL 333 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hp6 n GLY 334 N 1.36 1.02 2.95 7.63 0.00 -1.26 -4.75 105.19 112.14 3hp6 n GLY 334 Ca -0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 3hp6 n GLY 334 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hp6 s ILE 335 N -2.00 0.40 -0.01 -0.61 1.01 -0.78 -1.09 121.20 118.12 3hp6 s ILE 335 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3hp6 s ILE 335 Cb 0.00 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 3hp6 s ILE 335 CO 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 174.94 174.98 3hp6 s ALA 336 N -0.03 0.70 -0.08 9.38 0.00 -0.31 -0.80 121.76 130.62 3hp6 s ALA 336 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3hp6 s ALA 336 Cb -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3hp6 s ALA 336 CO -0.00 0.16 -0.16 0.08 0.00 0.00 0.00 175.76 175.84 3hp6 s VAL 337 N -0.13 1.46 -0.11 0.00 1.01 -0.56 -0.69 120.40 121.40 3hp6 s VAL 337 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3hp6 s VAL 337 Cb -0.04 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3hp6 s VAL 337 CO -0.00 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 3hp6 s VAL 338 N 0.61 1.81 0.12 2.92 1.01 -0.29 -0.33 120.40 126.25 3hp6 s VAL 338 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3hp6 s VAL 338 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3hp6 s VAL 338 CO 0.05 0.50 0.15 -0.46 0.00 0.00 0.00 175.10 175.34 3hp6 n ASN 339 N 3.82 -0.41 0.24 3.32 0.23 -0.43 -0.79 115.26 121.24 3hp6 n ASN 339 Ca -0.20 -1.65 0.18 0.00 -0.53 0.00 0.00 54.58 52.38 3hp6 n ASN 339 Cb 0.52 0.79 0.87 0.00 -2.08 0.00 0.00 39.78 39.88 3hp6 n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hp6 h GLU 340 N 0.00 0.00 0.00 -3.83 4.11 -1.94 -2.56 114.58 110.36 3hp6 h GLU 340 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3hp6 h GLU 340 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hp6 h GLU 340 CO 0.12 0.00 -0.87 0.72 0.07 0.00 0.00 179.01 179.05 3hp6 n HIS 341 N -3.47 0.39 -1.36 2.06 8.25 -1.26 -5.06 115.22 114.77 3hp6 n HIS 341 Ca 0.01 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3hp6 n HIS 341 Cb 0.35 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.92 3hp6 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hp6 n GLY 342 N 1.35 0.33 3.33 -1.41 0.00 -0.97 -5.10 105.19 102.72 3hp6 n GLY 342 Ca 0.02 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 3hp6 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hp6 s ARG 343 N -2.00 2.49 -0.00 1.61 0.52 -1.26 -1.31 118.95 119.00 3hp6 s ARG 343 Ca 0.00 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3hp6 s ARG 343 Cb 0.00 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.26 3hp6 s ARG 343 CO 0.00 0.47 -0.03 -0.06 0.02 0.00 0.00 175.30 175.70 3hp6 s PHE 344 N -0.36 0.28 -0.08 -0.53 0.40 0.55 -1.36 117.98 116.89 3hp6 s PHE 344 Ca 0.03 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 3hp6 s PHE 344 Cb -0.12 -0.20 -0.02 0.00 0.51 0.00 0.00 43.02 43.19 3hp6 s PHE 344 CO 0.02 -0.02 -0.13 0.12 0.70 0.00 0.00 175.22 175.91 3hp6 s PHE 345 N 0.02 2.76 -0.03 0.36 5.36 0.00 -1.49 117.98 124.97 3hp6 s PHE 345 Ca 0.00 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 3hp6 s PHE 345 Cb -0.02 -1.71 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 3hp6 s PHE 345 CO -0.00 0.07 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.15 3hp6 s LEU 346 N -0.36 1.97 0.22 6.12 1.43 0.02 -1.32 118.68 126.75 3hp6 s LEU 346 Ca 0.04 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3hp6 s LEU 346 Cb -0.12 -0.89 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 3hp6 s LEU 346 CO 0.02 0.17 1.05 -0.13 0.23 0.00 0.00 176.35 177.70 3hp6 s ARG 347 N -0.17 4.68 0.22 1.70 0.52 -1.26 -1.86 118.95 122.77 3hp6 s ARG 347 Ca 0.02 1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 56.85 3hp6 s ARG 347 Cb -0.09 -3.25 0.21 0.00 0.52 0.00 0.00 34.95 32.34 3hp6 s ARG 347 CO 0.01 0.23 1.69 -1.00 0.02 0.00 0.00 175.30 176.25 3hp6 h PRO 348 N 4.48 0.90 -0.76 3.54 0.13 -1.86 -1.85 132.00 136.56 3hp6 h PRO 348 Ca -0.45 -0.28 0.18 0.00 -0.87 0.00 0.00 66.00 64.58 3hp6 h PRO 348 Cb 1.21 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3hp6 h PRO 348 CO 0.69 0.92 0.52 1.05 -0.23 0.00 0.00 178.00 180.95 3hp6 h GLU 349 N 0.82 0.27 0.23 0.86 9.09 -1.92 0.18 114.58 124.10 3hp6 h GLU 349 Ca 0.15 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.53 3hp6 h GLU 349 Cb 0.55 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3hp6 h GLU 349 CO 0.03 0.18 -0.11 1.15 0.05 0.00 0.00 179.01 180.31 3hp6 h THR 350 N 0.27 0.00 -0.49 -1.06 2.02 -1.83 -3.35 112.91 108.48 3hp6 h THR 350 Ca 0.38 -0.50 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3hp6 h THR 350 Cb 1.07 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3hp6 h THR 350 CO -0.09 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.64 3hp6 h ALA 351 N -1.36 0.79 0.00 6.16 0.00 -0.88 -2.79 119.26 121.17 3hp6 h ALA 351 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hp6 h ALA 351 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hp6 h ALA 351 CO 0.05 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.24 3hp6 n LEU 352 N -4.13 0.00 -0.46 0.00 4.77 0.01 -2.10 117.00 115.10 3hp6 n LEU 352 Ca 0.01 0.46 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 3hp6 n LEU 352 Cb 0.42 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3hp6 n LEU 352 CO 0.45 -0.09 0.32 0.00 -1.33 0.00 0.00 177.39 176.75 3hp6 n ALA 353 N -1.46 3.11 -2.60 -1.18 0.00 -1.07 -4.87 120.51 112.43 3hp6 n ALA 353 Ca 0.07 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 3hp6 n ALA 353 Cb 0.26 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 3hp6 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hp6 s ASP 354 N -1.92 6.64 0.27 0.00 -1.08 -0.89 -4.98 116.67 114.71 3hp6 s ASP 354 Ca 0.16 0.56 -0.01 0.00 -0.52 0.00 0.00 52.55 52.74 3hp6 s ASP 354 Cb 0.14 -2.41 0.45 0.00 -1.46 0.00 0.00 42.92 39.64 3hp6 s ASP 354 CO 0.40 -0.69 1.88 -0.65 0.52 0.00 0.00 175.17 176.63 3hp6 h PRO 355 N 8.28 1.09 -0.59 4.34 0.11 -1.92 -0.56 132.00 142.76 3hp6 h PRO 355 Ca -0.24 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 3hp6 h PRO 355 Cb 1.09 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3hp6 h PRO 355 CO 0.91 0.72 0.12 1.96 -0.21 0.00 0.00 178.00 181.50 3hp6 h GLN 356 N 1.13 0.95 -0.24 1.05 7.50 -1.94 -0.79 115.11 122.77 3hp6 h GLN 356 Ca 0.44 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 59.26 3hp6 h GLN 356 Cb 0.24 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 3hp6 h GLN 356 CO -0.19 0.89 -0.21 0.35 -1.50 0.00 0.00 178.83 178.17 3hp6 h PHE 357 N 0.86 0.67 -0.77 2.96 3.57 -1.57 -1.13 116.94 121.53 3hp6 h PHE 357 Ca 0.18 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3hp6 h PHE 357 Cb 0.39 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3hp6 h PHE 357 CO 0.03 0.88 0.50 0.28 -2.23 0.00 0.00 178.31 177.77 3hp6 h VAL 358 N 0.27 1.14 -0.77 1.41 2.07 -1.14 -0.86 116.25 118.38 3hp6 h VAL 358 Ca 0.04 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3hp6 h VAL 358 Cb 0.76 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3hp6 h VAL 358 CO 0.05 0.18 0.26 0.00 0.02 0.00 0.00 177.57 178.09 3hp6 h ALA 359 N 1.31 1.00 -0.37 1.67 0.00 -0.98 -2.14 119.26 119.75 3hp6 h ALA 359 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hp6 h ALA 359 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hp6 h ALA 359 CO -0.09 0.67 0.16 2.35 0.00 0.00 0.00 179.25 182.34 3hp6 h TRP 360 N 1.14 0.56 -0.92 0.00 7.01 -0.83 -2.00 115.95 120.90 3hp6 h TRP 360 Ca 0.25 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.28 3hp6 h TRP 360 Cb 0.28 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 3hp6 h TRP 360 CO 0.02 0.49 0.59 -0.07 -2.79 0.00 0.00 178.44 176.68 3hp6 h LEU 361 N 0.46 0.94 -0.38 0.65 3.38 -0.92 -2.54 115.31 116.89 3hp6 h LEU 361 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hp6 h LEU 361 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hp6 h LEU 361 CO -0.01 0.60 -0.07 0.61 0.09 0.00 0.00 178.44 179.66 3hp6 n GLY 362 N -1.34 -0.70 3.56 0.83 0.00 -0.82 -4.37 105.19 102.34 3hp6 n GLY 362 Ca 0.14 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3hp6 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hp6 s ASP 363 N -2.26 6.37 0.49 1.61 -1.08 -0.78 -4.88 116.67 116.14 3hp6 s ASP 363 Ca 0.35 0.02 0.33 0.00 -0.52 0.00 0.00 52.55 52.73 3hp6 s ASP 363 Cb 0.21 -2.30 1.54 0.00 -1.46 0.00 0.00 42.92 40.91 3hp6 s ASP 363 CO 0.42 -0.56 1.98 1.05 0.52 0.00 0.00 175.17 178.59 3hp6 h GLU 364 N 8.49 0.00 0.00 4.34 4.11 -1.87 -2.29 114.58 127.36 3hp6 h GLU 364 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3hp6 h GLU 364 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hp6 h GLU 364 CO 0.81 0.00 -0.17 0.25 0.07 0.00 0.00 179.01 179.97 3hp6 n THR 365 N -2.78 0.02 -3.33 -1.06 -2.24 -1.26 -4.29 114.28 99.33 3hp6 n THR 365 Ca -0.00 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3hp6 n THR 365 Cb 0.19 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 3hp6 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hp6 s LYS 366 N -3.00 3.05 0.03 -0.78 -0.14 -0.86 -4.89 119.74 113.15 3hp6 s LYS 366 Ca 0.13 -0.93 -0.23 0.00 -1.36 0.00 0.00 55.97 53.58 3hp6 s LYS 366 Cb 0.18 -4.02 -0.06 0.00 -1.68 0.00 0.00 37.83 32.26 3hp6 s LYS 366 CO 0.59 -0.92 0.68 0.15 -0.76 0.00 0.00 175.35 175.10 3hp6 s LYS 367 N 2.03 4.41 -0.06 1.68 -0.14 0.05 -4.57 119.74 123.13 3hp6 s LYS 367 Ca 0.10 0.91 0.06 0.00 -1.36 0.00 0.00 55.97 55.68 3hp6 s LYS 367 Cb -0.19 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.61 3hp6 s LYS 367 CO 0.11 0.35 -0.24 0.15 -0.76 0.00 0.00 175.35 174.96 3hp6 s LYS 368 N -0.21 2.63 -0.17 1.68 3.01 0.11 -1.69 119.74 125.11 3hp6 s LYS 368 Ca 0.35 -0.89 -0.08 0.00 -1.01 0.00 0.00 55.97 54.34 3hp6 s LYS 368 Cb -0.20 -2.20 -0.04 0.00 -1.01 0.00 0.00 37.83 34.38 3hp6 s LYS 368 CO 0.20 0.36 0.11 -1.12 0.51 0.00 0.00 175.35 175.42 3hp6 s SER 369 N -0.12 6.09 0.30 2.83 0.01 0.20 -0.96 113.70 122.06 3hp6 s SER 369 Ca -0.05 0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.52 3hp6 s SER 369 Cb -0.14 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 3hp6 s SER 369 CO 0.04 0.25 0.27 -0.04 0.41 0.00 0.00 173.24 174.17 3hp6 s MET 370 N -0.07 1.65 -0.12 12.44 -1.94 0.34 -1.06 119.30 130.53 3hp6 s MET 370 Ca 0.09 -1.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.17 3hp6 s MET 370 Cb -0.12 0.33 0.02 0.00 2.01 0.00 0.00 34.83 37.07 3hp6 s MET 370 CO 0.00 -0.61 -0.13 0.12 -0.01 0.00 0.00 175.02 174.39 3hp6 s PHE 371 N -3.57 1.92 -0.90 -0.03 5.36 -1.26 -0.20 117.98 119.30 3hp6 s PHE 371 Ca 0.39 -0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 55.34 3hp6 s PHE 371 Cb 0.03 -1.43 -0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3hp6 s PHE 371 CO 0.24 -0.55 0.77 -3.47 -1.46 0.00 0.00 175.22 170.75 3hp6 n ASP 372 N 4.54 -6.84 0.21 6.13 -0.08 -1.26 -4.90 116.55 114.35 3hp6 n ASP 372 Ca -0.17 -0.48 0.06 0.00 -1.51 0.00 0.00 54.79 52.69 3hp6 n ASP 372 Cb 0.51 -4.67 0.44 0.00 2.34 0.00 0.00 41.12 39.74 3hp6 n ASP 372 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hp6 h SER 373 N -0.40 0.00 -0.68 1.67 4.64 -1.94 -2.80 113.55 114.03 3hp6 h SER 373 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hp6 h SER 373 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3hp6 h SER 373 CO 0.37 0.31 0.39 0.50 -0.87 0.00 0.00 176.83 177.54 3hp6 h LYS 374 N 0.00 0.93 -0.26 4.77 3.64 -1.91 0.12 116.57 123.87 3hp6 h LYS 374 Ca -0.00 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3hp6 h LYS 374 Cb 0.67 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3hp6 h LYS 374 CO 0.04 0.68 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.80 3hp6 h ARG 375 N 0.93 0.06 -0.32 1.90 2.43 -1.87 -0.71 114.38 116.80 3hp6 h ARG 375 Ca 0.24 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3hp6 h ARG 375 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3hp6 h ARG 375 CO -0.04 0.04 0.17 0.00 -1.51 0.00 0.00 179.97 178.62 3hp6 h ALA 376 N 1.23 0.41 -0.56 2.80 0.00 -1.50 -1.81 119.26 119.84 3hp6 h ALA 376 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hp6 h ALA 376 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hp6 h ALA 376 CO -0.22 -0.05 0.37 0.00 0.00 0.00 0.00 179.25 179.34 3hp6 h ALA 377 N 1.03 0.71 -0.07 0.00 0.00 -0.48 -0.31 119.26 120.14 3hp6 h ALA 377 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hp6 h ALA 377 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hp6 h ALA 377 CO -0.02 0.13 -0.20 0.28 0.00 0.00 0.00 179.25 179.44 3hp6 h VAL 378 N 0.74 1.42 -0.97 0.00 2.07 -1.10 0.80 116.25 119.21 3hp6 h VAL 378 Ca 0.21 -1.56 0.12 0.00 0.82 0.00 0.00 66.70 66.29 3hp6 h VAL 378 Cb -0.07 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 3hp6 h VAL 378 CO -0.05 0.44 0.62 0.00 0.02 0.00 0.00 177.57 178.60 3hp6 h ALA 379 N 0.46 1.58 -0.32 1.67 0.00 -1.28 -1.44 119.26 119.94 3hp6 h ALA 379 Ca -0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3hp6 h ALA 379 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hp6 h ALA 379 CO 0.04 0.18 -0.44 -0.07 0.00 0.00 0.00 179.25 178.96 3hp6 h LEU 380 N 0.94 0.89 -1.01 0.00 3.38 -0.87 -3.06 115.31 115.57 3hp6 h LEU 380 Ca 0.48 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3hp6 h LEU 380 Cb 0.52 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3hp6 h LEU 380 CO -0.25 1.20 0.64 0.11 0.09 0.00 0.00 178.44 180.23 3hp6 h LYS 381 N 0.66 1.04 0.00 1.13 1.57 -0.16 0.18 116.57 120.99 3hp6 h LYS 381 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hp6 h LYS 381 Cb 1.02 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3hp6 h LYS 381 CO 0.10 0.69 0.00 -1.49 -0.57 0.00 0.00 179.45 178.18 3hp6 h TRP 382 N 1.07 0.00 -0.68 -1.35 4.06 -1.19 -1.00 115.95 116.86 3hp6 h TRP 382 Ca 0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 3hp6 h TRP 382 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 3hp6 h TRP 382 CO -0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51 3hp6 n LYS 383 N -2.79 2.79 -2.20 0.49 5.02 -0.23 -4.96 118.16 116.27 3hp6 n LYS 383 Ca -0.01 -2.60 -0.14 0.00 -2.02 0.00 0.00 58.31 53.55 3hp6 n LYS 383 Cb 0.18 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3hp6 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hp6 n GLY 384 N 1.48 -0.09 3.29 0.72 0.00 -0.38 -5.03 105.19 105.18 3hp6 n GLY 384 Ca 0.23 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3hp6 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hp6 s ILE 385 N -2.67 2.44 -0.10 -0.61 1.01 0.46 -4.98 121.20 116.76 3hp6 s ILE 385 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 3hp6 s ILE 385 Cb 0.00 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3hp6 s ILE 385 CO 0.00 0.55 0.41 -0.70 0.00 0.00 0.00 174.94 175.20 3hp6 s GLU 386 N 0.20 4.20 0.16 2.79 2.12 -1.26 -2.71 118.70 124.20 3hp6 s GLU 386 Ca -0.12 0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.63 3hp6 s GLU 386 Cb -0.16 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3hp6 s GLU 386 CO 0.07 0.33 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.94 3hp6 s LEU 387 N 0.10 3.30 -1.38 2.70 2.96 -1.26 -3.18 118.68 121.92 3hp6 s LEU 387 Ca 0.23 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3hp6 s LEU 387 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3hp6 s LEU 387 CO 0.09 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 3hp6 n GLY 389 N -0.01 1.24 3.62 7.98 0.00 -1.26 -4.95 105.19 111.81 3hp6 n GLY 389 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3hp6 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hp6 s VAL 390 N -2.06 3.74 -0.48 1.61 1.01 -1.26 -0.71 120.40 122.25 3hp6 s VAL 390 Ca 0.00 0.80 0.14 0.00 0.00 0.00 0.00 61.98 62.93 3hp6 s VAL 390 Cb 0.00 -3.84 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 3hp6 s VAL 390 CO 0.00 -0.43 0.52 -1.54 0.00 0.00 0.00 175.10 173.65 3hp6 n SER 391 N 8.82 0.95 -3.71 3.32 3.41 -0.14 -4.89 113.62 121.38 3hp6 n SER 391 Ca 0.19 -0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 58.08 3hp6 n SER 391 Cb 0.46 1.19 -0.13 0.00 -0.26 0.00 0.00 64.21 65.48 3hp6 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hp6 s PHE 392 N -2.53 -0.40 -0.25 7.33 5.36 -1.19 -5.01 117.98 121.29 3hp6 s PHE 392 Ca 0.02 0.92 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 3hp6 s PHE 392 Cb 0.10 0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.92 3hp6 s PHE 392 CO 0.59 -0.27 -0.09 0.34 -1.46 0.00 0.00 175.22 174.32 3hp6 s ASP 393 N 1.46 4.14 0.36 6.13 -1.08 -1.26 -0.51 116.67 125.92 3hp6 s ASP 393 Ca -0.08 -1.27 0.11 0.00 -0.52 0.00 0.00 52.55 50.79 3hp6 s ASP 393 Cb -0.10 -1.40 0.67 0.00 -1.46 0.00 0.00 42.92 40.63 3hp6 s ASP 393 CO -0.09 -0.20 1.81 0.25 0.52 0.00 0.00 175.17 177.46 3hp6 h LEU 394 N 7.85 0.07 -0.01 -1.34 5.85 -0.96 -0.21 115.31 126.56 3hp6 h LEU 394 Ca -0.20 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3hp6 h LEU 394 Cb 1.06 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3hp6 h LEU 394 CO 0.45 0.42 0.00 0.25 -0.34 0.00 0.00 178.44 179.22 3hp6 h LEU 395 N 0.06 0.01 -0.60 2.25 5.85 -1.91 -0.89 115.31 120.07 3hp6 h LEU 395 Ca 0.01 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 3hp6 h LEU 395 Cb 0.66 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3hp6 h LEU 395 CO 0.05 0.14 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.07 3hp6 h LEU 396 N -0.12 0.96 -0.37 2.25 3.38 -1.89 -0.70 115.31 118.82 3hp6 h LEU 396 Ca 0.00 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3hp6 h LEU 396 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3hp6 h LEU 396 CO -0.00 1.10 0.12 0.00 0.09 0.00 0.00 178.44 179.74 3hp6 h ALA 397 N 0.98 0.42 -0.58 1.53 0.00 -0.96 -1.20 119.26 119.45 3hp6 h ALA 397 Ca 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hp6 h ALA 397 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3hp6 h ALA 397 CO 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.16 3hp6 h ALA 398 N 1.25 0.77 -0.35 0.00 0.00 -1.00 -2.03 119.26 117.89 3hp6 h ALA 398 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hp6 h ALA 398 Cb 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hp6 h ALA 398 CO -0.19 0.48 0.14 -0.92 0.00 0.00 0.00 179.25 178.77 3hp6 h TYR 399 N 0.85 0.26 -0.57 0.00 3.20 -0.93 -1.88 116.97 117.90 3hp6 h TYR 399 Ca 0.18 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3hp6 h TYR 399 Cb 0.36 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3hp6 h TYR 399 CO 0.03 0.12 0.11 -0.07 -1.64 0.00 0.00 178.16 176.71 3hp6 h LEU 400 N 0.30 0.88 -0.88 2.82 3.38 -1.06 -2.02 115.31 118.73 3hp6 h LEU 400 Ca 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hp6 h LEU 400 Cb 0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hp6 h LEU 400 CO -0.14 0.90 0.40 -0.07 0.09 0.00 0.00 178.44 179.62 3hp6 h LEU 401 N 0.82 1.09 -5.99 1.67 3.38 -1.12 -3.41 115.31 111.76 3hp6 h LEU 401 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hp6 h LEU 401 Cb 0.38 -0.28 -0.20 0.00 0.09 0.00 0.00 40.66 40.65 3hp6 h LEU 401 CO 0.01 0.92 -0.40 -0.62 0.09 0.00 0.00 178.44 178.44 3hp6 s ASP 402 N -6.32 -1.56 0.60 -0.43 -1.08 -0.73 -4.99 116.67 102.17 3hp6 s ASP 402 Ca -0.12 -0.21 0.34 0.00 -0.52 0.00 0.00 52.55 52.04 3hp6 s ASP 402 Cb 0.16 1.97 1.94 0.00 -1.46 0.00 0.00 42.92 45.54 3hp6 s ASP 402 CO 0.83 -0.24 2.25 -0.65 0.52 0.00 0.00 175.17 177.89 3hp6 h PRO 403 N 7.55 0.00 0.00 4.34 0.11 -1.59 -2.88 132.00 139.53 3hp6 h PRO 403 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hp6 h PRO 403 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hp6 h PRO 403 CO 0.12 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 3hp6 n ALA 404 N -2.23 2.13 0.27 -0.75 0.00 -1.26 -2.90 120.51 115.76 3hp6 n ALA 404 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.57 3hp6 n ALA 404 Cb 0.11 -1.45 0.70 0.00 0.00 0.00 0.00 19.45 18.81 3hp6 n ALA 404 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hp6 h GLN 405 N 0.00 0.00 -4.21 0.00 1.08 -1.90 -3.46 115.11 106.62 3hp6 h GLN 405 Ca 0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 3hp6 h GLN 405 Cb 0.64 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.15 3hp6 h GLN 405 CO 0.00 0.06 -0.52 0.41 -0.95 0.00 0.00 178.83 177.84 3hp6 n GLY 406 N -0.14 -0.29 3.68 3.46 0.00 -1.14 -4.91 105.19 105.84 3hp6 n GLY 406 Ca -0.00 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 3hp6 n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hp6 n VAL 407 N -4.39 0.54 -1.17 1.61 0.31 -1.26 -4.83 118.33 109.13 3hp6 n VAL 407 Ca -0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3hp6 n VAL 407 Cb 0.58 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3hp6 n VAL 407 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hp6 n ASP 408 N 6.40 0.13 -3.84 4.52 5.75 -1.26 -4.94 116.55 123.31 3hp6 n ASP 408 Ca 0.21 -1.30 -0.10 0.00 -0.01 0.00 0.00 54.79 53.60 3hp6 n ASP 408 Cb 0.32 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3hp6 n ASP 408 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 3hp6 s ASP 409 N -0.31 -0.09 0.25 -1.12 3.84 -1.26 -5.04 116.67 112.94 3hp6 s ASP 409 Ca 0.00 -0.65 -0.05 0.00 -0.00 0.00 0.00 52.55 51.86 3hp6 s ASP 409 Cb 0.00 0.48 0.32 0.00 -1.38 0.00 0.00 42.92 42.35 3hp6 s ASP 409 CO 0.00 -0.93 1.89 0.58 -0.00 0.00 0.00 175.17 176.71 3hp6 h VAL 410 N 2.42 1.15 -0.37 2.11 2.07 -1.98 -2.60 116.25 119.04 3hp6 h VAL 410 Ca -0.31 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3hp6 h VAL 410 Cb 1.24 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3hp6 h VAL 410 CO 0.45 0.22 0.15 0.00 0.02 0.00 0.00 177.57 178.41 3hp6 h ALA 411 N 1.40 0.45 -0.74 1.67 0.00 -1.89 0.12 119.26 120.26 3hp6 h ALA 411 Ca 0.38 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3hp6 h ALA 411 Cb 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hp6 h ALA 411 CO -0.13 -0.23 0.49 0.00 0.00 0.00 0.00 179.25 179.38 3hp6 h ALA 412 N 1.22 0.94 -0.40 0.00 0.00 -1.86 -0.71 119.26 118.46 3hp6 h ALA 412 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hp6 h ALA 412 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hp6 h ALA 412 CO -0.15 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.58 3hp6 h ALA 413 N 1.27 0.52 -0.86 0.00 0.00 -1.09 -3.17 119.26 115.94 3hp6 h ALA 413 Ca 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hp6 h ALA 413 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3hp6 h ALA 413 CO -0.06 0.17 0.52 0.00 0.00 0.00 0.00 179.25 179.88 3hp6 h ALA 414 N 0.97 1.31 0.00 0.00 0.00 -0.48 -1.55 119.26 119.51 3hp6 h ALA 414 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hp6 h ALA 414 Cb 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hp6 h ALA 414 CO -0.00 0.60 -0.04 -0.22 0.00 0.00 0.00 179.25 179.59 3hp6 h LYS 415 N 1.18 0.00 0.00 0.00 3.64 -1.04 -0.48 116.57 119.87 3hp6 h LYS 415 Ca 0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3hp6 h LYS 415 Cb -0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hp6 h LYS 415 CO -0.06 0.04 -0.08 0.52 -2.27 0.00 0.00 179.45 177.60 3hp6 h MET 416 N 0.00 0.00 -0.08 1.90 2.86 -1.29 -2.67 114.93 115.65 3hp6 h MET 416 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3hp6 h MET 416 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3hp6 h MET 416 CO 0.01 0.08 -0.36 1.63 1.06 0.00 0.00 176.91 179.33 3hp6 n LYS 417 N -3.93 1.64 -2.86 1.72 4.76 -0.28 -4.96 118.16 114.25 3hp6 n LYS 417 Ca -0.02 -3.22 -0.22 0.00 -2.87 0.00 0.00 58.31 51.98 3hp6 n LYS 417 Cb 0.17 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 31.72 3hp6 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3hp6 n GLN 418 N -1.14 -3.90 -3.85 1.97 1.13 -1.01 -4.96 117.38 105.61 3hp6 n GLN 418 Ca 0.22 0.91 -0.36 0.00 -1.94 0.00 0.00 57.00 55.83 3hp6 n GLN 418 Cb 0.77 -5.71 -0.13 0.00 0.11 0.00 0.00 30.24 25.28 3hp6 n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3hp6 s TYR 419 N -3.12 3.01 -0.03 1.08 5.04 -0.65 -4.97 117.35 117.72 3hp6 s TYR 419 Ca 0.22 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 3hp6 s TYR 419 Cb -0.10 -2.16 0.06 0.00 0.35 0.00 0.00 41.96 40.11 3hp6 s TYR 419 CO 0.27 -0.46 0.88 0.39 -1.34 0.00 0.00 175.55 175.29 3hp6 n GLU 420 N 4.82 1.11 -1.36 4.97 1.02 -1.26 -3.01 120.64 126.94 3hp6 n GLU 420 Ca -0.17 -1.30 -0.25 0.00 -0.02 0.00 0.00 57.16 55.42 3hp6 n GLU 420 Cb 0.51 -0.84 -0.04 0.00 -0.02 0.00 0.00 31.44 31.04 3hp6 n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hp6 n ALA 421 N -0.43 6.22 -3.61 0.62 0.00 -1.26 -4.78 120.51 117.28 3hp6 n ALA 421 Ca 0.03 -2.76 -0.14 0.00 0.00 0.00 0.00 53.44 50.58 3hp6 n ALA 421 Cb 0.50 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.87 3hp6 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hp6 s VAL 422 N -2.14 0.00 0.23 0.00 0.11 -1.26 -4.89 120.40 112.45 3hp6 s VAL 422 Ca 0.54 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.54 3hp6 s VAL 422 Cb 0.36 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 3hp6 s VAL 422 CO -0.17 0.00 0.49 -0.13 -3.33 0.00 0.00 175.10 171.96 3hp6 s ARG 423 N -0.04 3.65 0.45 1.54 0.52 -1.26 -4.85 118.95 118.94 3hp6 s ARG 423 Ca -0.02 -0.01 -0.25 0.00 -0.52 0.00 0.00 55.73 54.93 3hp6 s ARG 423 Cb -0.04 -2.71 -0.09 0.00 0.52 0.00 0.00 34.95 32.63 3hp6 s ARG 423 CO 0.02 0.31 1.37 -2.30 0.02 0.00 0.00 175.30 174.72 3hp6 n PRO 424 N -0.53 2.11 -0.34 3.54 -0.02 -1.26 -4.49 135.00 134.01 3hp6 n PRO 424 Ca -0.02 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 3hp6 n PRO 424 Cb 0.53 -2.54 0.24 0.00 -0.02 0.00 0.00 33.50 31.71 3hp6 n PRO 424 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hp6 h ASP 425 N 2.17 0.92 -0.26 2.55 3.32 -1.97 -1.40 116.42 121.75 3hp6 h ASP 425 Ca -0.50 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3hp6 h ASP 425 Cb 1.28 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3hp6 h ASP 425 CO 0.60 0.53 0.07 -0.08 -1.72 0.00 0.00 179.24 178.65 3hp6 h GLU 426 N 1.01 0.50 0.00 3.56 4.81 -1.91 -0.01 114.58 122.54 3hp6 h GLU 426 Ca 0.46 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3hp6 h GLU 426 Cb 0.38 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3hp6 h GLU 426 CO -0.21 0.47 -0.26 0.00 -0.73 0.00 0.00 179.01 178.28 3hp6 h ALA 427 N 1.59 1.45 0.11 2.92 0.00 -1.59 0.65 119.26 124.40 3hp6 h ALA 427 Ca 0.12 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.43 3hp6 h ALA 427 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hp6 h ALA 427 CO -0.00 0.33 -2.00 0.28 0.00 0.00 0.00 179.25 177.85 3hp6 n VAL 428 N -4.05 1.75 -0.01 0.00 0.31 -0.76 -4.51 118.33 111.05 3hp6 n VAL 428 Ca -0.02 -0.61 0.07 0.00 -0.01 0.00 0.00 64.34 63.77 3hp6 n VAL 428 Cb 0.33 -1.73 -0.15 0.00 -0.91 0.00 0.00 33.84 31.38 3hp6 n VAL 428 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3hp6 n TYR 429 N -3.52 0.12 -1.15 3.52 0.53 -0.09 -4.62 117.16 111.95 3hp6 n TYR 429 Ca -0.33 0.04 0.00 0.00 -1.02 0.00 0.00 57.90 56.58 3hp6 n TYR 429 Cb 1.02 -0.64 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 3hp6 n TYR 429 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hp6 n GLY 430 N 1.34 -2.46 3.13 2.72 0.00 0.22 -1.15 105.19 108.99 3hp6 n GLY 430 Ca -0.08 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3hp6 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hp6 s LYS 431 N -0.64 0.73 5.06 1.61 -2.85 -1.26 -4.68 119.74 117.71 3hp6 s LYS 431 Ca 0.00 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 53.85 3hp6 s LYS 431 Cb 0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.50 3hp6 s LYS 431 CO 0.00 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.88 3hp6 n GLY 432 N 0.53 1.79 0.26 0.59 0.00 -1.26 -2.71 105.19 104.39 3hp6 n GLY 432 Ca -0.16 -0.62 0.18 0.00 0.00 0.00 0.00 46.02 45.42 3hp6 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hp6 h ALA 433 N -0.58 1.00 -0.01 4.61 0.00 -2.02 -2.11 119.26 120.16 3hp6 h ALA 433 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hp6 h ALA 433 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hp6 h ALA 433 CO 0.00 0.00 -0.10 1.63 0.00 0.00 0.00 179.25 180.78 3hp6 n LYS 434 N -2.80 0.99 -2.23 0.00 4.76 -1.10 -4.94 118.16 112.84 3hp6 n LYS 434 Ca -0.01 -0.44 -0.41 0.00 -2.87 0.00 0.00 58.31 54.57 3hp6 n LYS 434 Cb 0.12 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3hp6 n LYS 434 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hp6 s ARG 435 N -2.31 4.41 -0.20 1.97 3.52 -0.80 -4.63 118.95 120.91 3hp6 s ARG 435 Ca 0.32 2.05 -0.28 0.00 -0.13 0.00 0.00 55.73 57.69 3hp6 s ARG 435 Cb 0.20 -3.18 0.12 0.00 -1.56 0.00 0.00 34.95 30.53 3hp6 s ARG 435 CO 0.44 -0.20 0.98 0.00 -0.81 0.00 0.00 175.30 175.71 3hp6 s ALA 436 N -0.16 -1.93 0.08 6.12 0.00 -0.30 -5.02 121.76 120.54 3hp6 s ALA 436 Ca 0.54 1.68 -0.31 0.00 0.00 0.00 0.00 51.96 53.88 3hp6 s ALA 436 Cb -0.36 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 3hp6 s ALA 436 CO 0.40 -0.29 1.38 0.08 0.00 0.00 0.00 175.76 177.33 3hp6 s VAL 437 N -0.61 3.49 0.91 0.00 1.01 -1.26 -4.47 120.40 119.48 3hp6 s VAL 437 Ca -0.01 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 3hp6 s VAL 437 Cb -0.02 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.86 3hp6 s VAL 437 CO -0.01 0.05 1.28 -2.16 0.00 0.00 0.00 175.10 174.27 3hp6 s PRO 438 N 1.51 1.06 0.61 2.72 0.04 -1.26 -5.01 135.00 134.65 3hp6 s PRO 438 Ca 0.64 -0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 3hp6 s PRO 438 Cb -0.35 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3hp6 s PRO 438 CO 0.29 -2.16 0.90 -3.47 0.04 0.00 0.00 177.00 172.60 3hp6 n ASP 439 N -3.63 0.47 -0.21 6.66 2.03 -1.26 -4.51 116.55 116.11 3hp6 n ASP 439 Ca 0.13 0.78 0.02 0.00 0.52 0.00 0.00 54.79 56.24 3hp6 n ASP 439 Cb 0.60 -1.36 0.13 0.00 -0.72 0.00 0.00 41.12 39.77 3hp6 n ASP 439 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3hp6 h GLU 440 N 0.39 0.25 -0.50 -0.67 4.81 -1.98 -0.15 114.58 116.72 3hp6 h GLU 440 Ca -0.48 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3hp6 h GLU 440 Cb 1.37 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3hp6 h GLU 440 CO 0.50 0.16 0.33 -1.35 -0.73 0.00 0.00 179.01 177.92 3hp6 h PRO 441 N 0.25 0.65 0.01 0.92 0.11 -1.99 0.33 132.00 132.28 3hp6 h PRO 441 Ca 0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3hp6 h PRO 441 Cb 0.53 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3hp6 h PRO 441 CO -0.44 0.43 -0.01 0.28 -0.21 0.00 0.00 178.00 178.06 3hp6 h VAL 442 N 0.67 1.39 -0.22 3.15 2.07 -1.59 -2.07 116.25 119.66 3hp6 h VAL 442 Ca 0.18 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.51 3hp6 h VAL 442 Cb -0.07 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 3hp6 h VAL 442 CO -0.04 0.32 -0.07 0.25 0.02 0.00 0.00 177.57 178.05 3hp6 h LEU 443 N -0.55 -0.25 -0.58 2.57 5.85 -0.83 -2.12 115.31 119.40 3hp6 h LEU 443 Ca -0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hp6 h LEU 443 Cb 0.53 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3hp6 h LEU 443 CO 0.00 -0.09 0.25 0.00 -0.34 0.00 0.00 178.44 178.26 3hp6 h ALA 444 N 1.19 0.75 -0.75 1.25 0.00 -0.36 -1.29 119.26 120.06 3hp6 h ALA 444 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hp6 h ALA 444 Cb 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hp6 h ALA 444 CO -0.24 0.35 0.43 1.49 0.00 0.00 0.00 179.25 181.28 3hp6 h GLU 445 N 0.80 1.03 -0.11 0.00 4.81 -1.26 -1.76 114.58 118.08 3hp6 h GLU 445 Ca 0.20 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hp6 h GLU 445 Cb 0.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3hp6 h GLU 445 CO -0.02 0.75 0.07 1.25 -0.73 0.00 0.00 179.01 180.33 3hp6 h HIS 446 N 1.03 0.14 -0.64 0.92 2.76 -0.86 0.23 115.15 118.73 3hp6 h HIS 446 Ca 0.27 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3hp6 h HIS 446 Cb -0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 3hp6 h HIS 446 CO -0.00 0.11 0.14 -0.07 -1.30 0.00 0.00 177.93 176.81 3hp6 h LEU 447 N 0.12 0.96 -0.58 0.26 3.38 -1.12 -0.58 115.31 117.75 3hp6 h LEU 447 Ca 0.04 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hp6 h LEU 447 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3hp6 h LEU 447 CO -0.01 0.93 -0.07 0.58 0.09 0.00 0.00 178.44 179.96 3hp6 h VAL 448 N 0.96 1.27 -0.87 1.22 2.07 -1.17 0.13 116.25 119.86 3hp6 h VAL 448 Ca 0.20 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3hp6 h VAL 448 Cb 0.36 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3hp6 h VAL 448 CO 0.00 0.44 0.45 0.03 0.02 0.00 0.00 177.57 178.51 3hp6 h ARG 449 N 0.94 1.24 -0.13 1.57 3.08 -0.67 0.15 114.38 120.56 3hp6 h ARG 449 Ca 0.15 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hp6 h ARG 449 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hp6 h ARG 449 CO 0.04 0.93 0.06 0.87 -1.07 0.00 0.00 179.97 180.80 3hp6 h LYS 450 N 1.23 0.19 -0.97 0.04 1.57 -0.83 -1.67 116.57 116.13 3hp6 h LYS 450 Ca 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3hp6 h LYS 450 Cb 0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3hp6 h LYS 450 CO -0.04 0.25 0.62 0.00 -0.57 0.00 0.00 179.45 179.71 3hp6 h ALA 451 N 0.93 1.27 -0.68 3.86 0.00 -0.71 -2.00 119.26 121.94 3hp6 h ALA 451 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hp6 h ALA 451 Cb 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hp6 h ALA 451 CO -0.01 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.13 3hp6 h ALA 452 N 1.37 1.14 -0.19 0.00 0.00 -0.60 -1.24 119.26 119.73 3hp6 h ALA 452 Ca 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hp6 h ALA 452 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3hp6 h ALA 452 CO -0.07 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.88 3hp6 h ALA 453 N 1.26 0.25 -0.56 0.00 0.00 -1.00 -1.95 119.26 117.25 3hp6 h ALA 453 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hp6 h ALA 453 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hp6 h ALA 453 CO -0.01 -0.20 0.33 0.82 0.00 0.00 0.00 179.25 180.19 3hp6 h ILE 454 N 0.18 1.04 -0.90 0.00 2.04 -1.14 0.08 117.51 118.82 3hp6 h ILE 454 Ca 0.07 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.82 3hp6 h ILE 454 Cb 0.11 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 3hp6 h ILE 454 CO -0.01 0.12 0.53 -0.25 0.00 0.00 0.00 178.15 178.54 3hp6 h TRP 455 N 0.65 0.96 0.00 1.37 2.91 -0.97 -2.19 115.95 118.67 3hp6 h TRP 455 Ca 0.23 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 60.09 3hp6 h TRP 455 Cb 0.04 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 3hp6 h TRP 455 CO -0.07 0.36 -1.02 0.93 -1.03 0.00 0.00 178.44 177.62 3hp6 h GLU 456 N 0.85 0.00 0.00 2.65 4.39 -0.84 -3.37 114.58 118.26 3hp6 h GLU 456 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3hp6 h GLU 456 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hp6 h GLU 456 CO -0.27 0.69 -1.25 1.28 -1.16 0.00 0.00 179.01 178.29 3hp6 n LEU 457 N -3.21 0.54 0.03 1.33 4.77 -0.03 -4.38 117.00 116.05 3hp6 n LEU 457 Ca -0.03 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3hp6 n LEU 457 Cb 0.89 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.84 3hp6 n LEU 457 CO 0.44 0.05 0.54 -0.08 -1.33 0.00 0.00 177.39 177.01 3hp6 h GLU 458 N 0.00 -0.57 -0.02 3.23 4.81 -1.57 -1.94 114.58 118.52 3hp6 h GLU 458 Ca 0.00 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3hp6 h GLU 458 Cb 0.78 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 3hp6 h GLU 458 CO 0.00 -0.38 -0.21 -0.09 -0.73 0.00 0.00 179.01 177.60 3hp6 h ARG 459 N -0.59 -0.31 -0.14 1.92 9.65 -1.84 0.20 114.38 123.26 3hp6 h ARG 459 Ca 0.04 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3hp6 h ARG 459 Cb 0.68 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3hp6 h ARG 459 CO -0.38 -0.21 -0.14 -1.00 2.80 0.00 0.00 179.97 181.04 3hp6 h PRO 460 N -0.33 0.22 -0.29 0.20 0.13 -1.79 0.07 132.00 130.21 3hp6 h PRO 460 Ca 0.06 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 3hp6 h PRO 460 Cb 0.41 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3hp6 h PRO 460 CO -0.20 0.36 0.01 0.74 -0.23 0.00 0.00 178.00 178.68 3hp6 h PHE 461 N 0.21 0.56 -0.49 1.56 -1.00 -1.08 -1.74 116.94 114.97 3hp6 h PHE 461 Ca 0.04 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 3hp6 h PHE 461 Cb 0.38 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 3hp6 h PHE 461 CO 0.01 0.65 0.14 -0.07 -1.61 0.00 0.00 178.31 177.42 3hp6 h LEU 462 N 0.31 0.66 -0.38 1.54 3.38 -0.55 0.52 115.31 120.80 3hp6 h LEU 462 Ca 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hp6 h LEU 462 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3hp6 h LEU 462 CO 0.01 0.64 -0.09 0.44 0.09 0.00 0.00 178.44 179.53 3hp6 h ASP 463 N 0.70 0.74 -0.35 -0.43 3.45 -0.92 -0.94 116.42 118.68 3hp6 h ASP 463 Ca 0.16 -0.36 -0.16 0.00 0.43 0.00 0.00 57.03 57.09 3hp6 h ASP 463 Cb 0.23 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3hp6 h ASP 463 CO -0.01 0.94 -0.42 -0.08 -1.57 0.00 0.00 179.24 178.10 3hp6 h GLU 464 N 0.54 0.90 -1.00 3.56 4.81 -0.94 -2.35 114.58 120.09 3hp6 h GLU 464 Ca 0.10 -0.50 0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3hp6 h GLU 464 Cb 0.61 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3hp6 h GLU 464 CO 0.04 1.15 0.65 -0.07 -0.73 0.00 0.00 179.01 180.05 3hp6 h LEU 465 N 0.70 1.06 -0.56 1.64 3.38 -0.81 -1.84 115.31 118.87 3hp6 h LEU 465 Ca 0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hp6 h LEU 465 Cb 1.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3hp6 h LEU 465 CO 0.10 0.69 0.35 -0.09 0.09 0.00 0.00 178.44 179.58 3hp6 h ARG 466 N 1.21 0.69 -0.48 1.13 9.65 -0.99 0.44 114.38 126.02 3hp6 h ARG 466 Ca 0.42 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.24 3hp6 h ARG 466 Cb 0.12 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3hp6 h ARG 466 CO -0.16 0.46 0.20 0.00 2.80 0.00 0.00 179.97 183.26 3hp6 h ARG 467 N 0.71 0.69 -0.03 0.20 3.08 -0.86 -2.09 114.38 116.08 3hp6 h ARG 467 Ca 0.21 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hp6 h ARG 467 Cb -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3hp6 h ARG 467 CO -0.07 0.57 0.00 0.09 -1.07 0.00 0.00 179.97 179.48 3hp6 n ASN 468 N -4.36 0.75 -2.49 7.04 4.13 -0.75 -4.92 115.26 114.67 3hp6 n ASN 468 Ca 0.04 -1.34 -0.18 0.00 1.68 0.00 0.00 54.58 54.77 3hp6 n ASN 468 Cb 0.15 -0.02 0.03 0.00 -1.54 0.00 0.00 39.78 38.40 3hp6 n ASN 468 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3hp6 n GLU 469 N -0.37 -3.87 -0.01 3.52 4.07 -0.79 -4.92 120.64 118.26 3hp6 n GLU 469 Ca 0.20 0.76 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 3hp6 n GLU 469 Cb 0.22 -5.29 0.01 0.00 -0.06 0.00 0.00 31.44 26.32 3hp6 n GLU 469 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3hp6 n GLN 470 N -3.40 1.97 -0.19 5.31 6.02 0.15 -4.69 117.38 122.55 3hp6 n GLN 470 Ca -0.10 -1.28 -0.08 0.00 -0.01 0.00 0.00 57.00 55.53 3hp6 n GLN 470 Cb 0.60 -1.02 0.02 0.00 1.02 0.00 0.00 30.24 30.87 3hp6 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3hp6 h ASP 471 N 0.14 0.75 0.57 1.08 2.03 -1.82 -1.20 116.42 117.97 3hp6 h ASP 471 Ca 0.00 -0.16 -0.17 0.00 -0.73 0.00 0.00 57.03 55.97 3hp6 h ASP 471 Cb 0.39 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 3hp6 h ASP 471 CO 0.00 0.71 -0.74 0.03 -1.03 0.00 0.00 179.24 178.20 3hp6 h ARG 472 N 0.74 0.14 -0.96 4.15 3.08 -1.91 -1.49 114.38 118.14 3hp6 h ARG 472 Ca 0.18 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3hp6 h ARG 472 Cb 0.19 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3hp6 h ARG 472 CO -0.02 0.82 0.62 1.25 -1.07 0.00 0.00 179.97 181.57 3hp6 h LEU 473 N 0.09 1.00 0.12 3.04 5.85 -1.75 0.24 115.31 123.89 3hp6 h LEU 473 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3hp6 h LEU 473 Cb 1.31 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hp6 h LEU 473 CO 0.11 0.66 -0.06 0.25 -0.34 0.00 0.00 178.44 179.06 3hp6 h LEU 474 N 1.15 -0.14 0.00 2.25 5.85 -1.11 -0.65 115.31 122.67 3hp6 h LEU 474 Ca 0.40 -0.43 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 3hp6 h LEU 474 Cb 0.09 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3hp6 h LEU 474 CO -0.15 0.45 -0.94 0.58 -0.34 0.00 0.00 178.44 178.03 3hp6 h VAL 475 N -0.82 1.41 0.00 1.05 2.07 -1.08 -0.07 116.25 118.82 3hp6 h VAL 475 Ca -0.02 -3.04 0.00 0.00 0.82 0.00 0.00 66.70 64.46 3hp6 h VAL 475 Cb 0.56 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3hp6 h VAL 475 CO 0.03 0.80 -1.24 -0.62 0.02 0.00 0.00 177.57 176.56 3hp6 n GLU 476 N -3.28 1.21 0.00 1.57 1.02 0.82 -4.38 120.64 117.59 3hp6 n GLU 476 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3hp6 n GLU 476 Cb 0.90 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 3hp6 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hp6 n LEU 477 N -1.72 0.00 -0.12 -4.62 7.94 -1.11 -4.72 117.00 112.65 3hp6 n LEU 477 Ca -0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3hp6 n LEU 477 Cb 0.32 -0.05 -0.02 0.00 0.53 0.00 0.00 43.42 44.21 3hp6 n LEU 477 CO 0.31 -0.36 0.90 -0.33 -1.11 0.00 0.00 177.39 176.80 3hp6 h GLU 478 N 0.00 0.53 -0.16 1.96 4.39 -1.04 -1.52 114.58 118.74 3hp6 h GLU 478 Ca 0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3hp6 h GLU 478 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3hp6 h GLU 478 CO 0.00 0.53 0.05 1.96 -1.16 0.00 0.00 179.01 180.39 3hp6 h GLN 479 N 0.42 0.24 -0.82 2.33 4.20 -1.25 -0.33 115.11 119.89 3hp6 h GLN 479 Ca 0.12 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3hp6 h GLN 479 Cb 0.20 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3hp6 h GLN 479 CO -0.01 0.34 0.54 -1.35 -0.67 0.00 0.00 178.83 177.69 3hp6 h PRO 480 N 0.08 0.99 -0.83 1.46 0.11 -1.75 -2.45 132.00 129.61 3hp6 h PRO 480 Ca 0.05 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3hp6 h PRO 480 Cb 0.20 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 3hp6 h PRO 480 CO -0.00 0.65 0.40 1.25 -0.21 0.00 0.00 178.00 180.09 3hp6 h LEU 481 N 1.02 1.08 -0.92 2.35 5.85 -1.04 -2.65 115.31 121.00 3hp6 h LEU 481 Ca 0.33 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3hp6 h LEU 481 Cb 0.04 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 3hp6 h LEU 481 CO -0.10 0.90 0.55 -1.28 -0.34 0.00 0.00 178.44 178.17 3hp6 h SER 482 N 1.17 0.77 -0.48 1.25 0.87 -0.56 0.28 113.55 116.86 3hp6 h SER 482 Ca 0.28 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.81 3hp6 h SER 482 Cb 0.11 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hp6 h SER 482 CO -0.04 0.40 -0.03 0.28 -0.53 0.00 0.00 176.83 176.92 3hp6 h SER 483 N 0.86 0.89 -0.30 6.23 0.02 -1.40 -0.43 113.55 119.41 3hp6 h SER 483 Ca 0.46 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3hp6 h SER 483 Cb 0.49 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3hp6 h SER 483 CO -0.28 0.97 -0.15 0.40 -1.14 0.00 0.00 176.83 176.62 3hp6 h ILE 484 N 0.84 1.29 -0.99 3.27 2.04 -0.98 -2.38 117.51 120.60 3hp6 h ILE 484 Ca 0.15 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.77 3hp6 h ILE 484 Cb 0.53 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3hp6 h ILE 484 CO 0.03 0.40 0.66 -0.07 0.00 0.00 0.00 178.15 179.17 3hp6 h LEU 485 N 0.39 1.13 -0.52 1.44 3.38 -0.35 -0.95 115.31 119.84 3hp6 h LEU 485 Ca 0.07 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hp6 h LEU 485 Cb 0.68 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3hp6 h LEU 485 CO 0.05 0.81 0.32 0.00 0.09 0.00 0.00 178.44 179.71 3hp6 h ALA 486 N 1.37 0.66 -0.36 1.53 0.00 -0.92 -0.65 119.26 120.90 3hp6 h ALA 486 Ca 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3hp6 h ALA 486 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hp6 h ALA 486 CO -0.09 0.05 0.18 0.93 0.00 0.00 0.00 179.25 180.32 3hp6 h GLU 487 N 0.65 0.51 -0.32 0.00 5.08 -1.01 -1.31 114.58 118.19 3hp6 h GLU 487 Ca 0.20 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3hp6 h GLU 487 Cb -0.02 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3hp6 h GLU 487 CO -0.07 0.46 0.03 0.52 -1.00 0.00 0.00 179.01 178.94 3hp6 h MET 488 N 0.44 0.13 -0.41 2.33 2.86 -0.86 0.42 114.93 119.84 3hp6 h MET 488 Ca 0.12 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3hp6 h MET 488 Cb 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3hp6 h MET 488 CO -0.02 0.08 0.02 0.93 1.06 0.00 0.00 176.91 178.99 3hp6 h GLU 489 N 0.13 0.71 -0.43 1.72 5.08 -1.02 -2.12 114.58 118.64 3hp6 h GLU 489 Ca 0.15 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3hp6 h GLU 489 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hp6 h GLU 489 CO -0.23 0.78 -0.12 0.35 -1.00 0.00 0.00 179.01 178.79 3hp6 h PHE 490 N 0.55 0.87 -0.43 4.33 3.57 -1.07 -2.91 116.94 121.86 3hp6 h PHE 490 Ca 0.12 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.49 3hp6 h PHE 490 Cb 0.45 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3hp6 h PHE 490 CO 0.03 0.86 0.22 0.00 -2.23 0.00 0.00 178.31 177.20 3hp6 h ALA 491 N 1.15 0.54 -2.21 2.41 0.00 -0.81 -3.49 119.26 116.85 3hp6 h ALA 491 Ca 0.12 0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.29 3hp6 h ALA 491 Cb 0.61 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3hp6 h ALA 491 CO 0.04 -0.12 -0.34 0.41 0.00 0.00 0.00 179.25 179.24 3hp6 n GLY 492 N -1.22 -1.95 3.14 0.00 0.00 -0.81 -4.90 105.19 99.45 3hp6 n GLY 492 Ca 0.02 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 3hp6 n GLY 492 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hp6 s VAL 493 N -1.70 1.54 0.22 1.61 -7.23 -0.66 -4.94 120.40 109.23 3hp6 s VAL 493 Ca 0.00 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 3hp6 s VAL 493 Cb 0.00 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.52 3hp6 s VAL 493 CO 0.00 0.44 1.04 -0.75 -0.31 0.00 0.00 175.10 175.52 3hp6 s LYS 494 N 0.20 4.69 0.01 4.82 2.20 -1.25 -0.96 119.74 129.46 3hp6 s LYS 494 Ca -0.09 1.66 0.08 0.00 -0.36 0.00 0.00 55.97 57.26 3hp6 s LYS 494 Cb -0.14 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3hp6 s LYS 494 CO 0.04 0.26 -0.23 0.08 -0.36 0.00 0.00 175.35 175.13 3hp6 s VAL 495 N -0.77 2.37 -0.91 4.02 1.01 0.11 -1.29 120.40 124.94 3hp6 s VAL 495 Ca 0.45 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3hp6 s VAL 495 Cb -0.29 -1.91 0.14 0.00 0.00 0.00 0.00 36.38 34.32 3hp6 s VAL 495 CO 0.36 0.46 1.09 -0.62 0.00 0.00 0.00 175.10 176.38 3hp6 s ASP 496 N -1.02 6.62 0.27 3.32 -1.08 0.45 -4.84 116.67 120.40 3hp6 s ASP 496 Ca 0.12 -2.07 0.02 0.00 -0.52 0.00 0.00 52.55 50.10 3hp6 s ASP 496 Cb -0.10 -2.38 0.39 0.00 -1.46 0.00 0.00 42.92 39.37 3hp6 s ASP 496 CO 0.02 -1.03 1.72 0.71 0.52 0.00 0.00 175.17 177.10 3hp6 h THR 497 N 5.75 1.26 -0.79 1.71 1.35 -1.92 -2.49 112.91 117.78 3hp6 h THR 497 Ca 0.14 -1.26 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 3hp6 h THR 497 Cb 1.03 1.32 -0.05 0.00 -1.73 0.00 0.00 68.15 68.72 3hp6 h THR 497 CO 1.08 0.40 0.51 0.11 -0.25 0.00 0.00 175.52 177.37 3hp6 h LYS 498 N 0.45 0.97 -0.39 4.72 1.57 -1.99 0.23 116.57 122.14 3hp6 h LYS 498 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hp6 h LYS 498 Cb 0.67 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3hp6 h LYS 498 CO 0.05 0.64 0.25 -0.09 -0.57 0.00 0.00 179.45 179.73 3hp6 h ARG 499 N 1.00 0.52 -0.84 3.15 2.43 -1.90 0.03 114.38 118.76 3hp6 h ARG 499 Ca 0.32 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3hp6 h ARG 499 Cb -0.00 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3hp6 h ARG 499 CO -0.11 0.36 0.42 -0.07 -1.51 0.00 0.00 179.97 179.06 3hp6 h LEU 500 N 0.52 1.08 -0.64 3.80 3.38 -0.97 0.25 115.31 122.73 3hp6 h LEU 500 Ca 0.14 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3hp6 h LEU 500 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3hp6 h LEU 500 CO -0.03 0.90 -0.21 -0.33 0.09 0.00 0.00 178.44 178.86 3hp6 h GLU 501 N 1.19 0.84 -0.12 1.13 5.08 -0.27 0.12 114.58 122.55 3hp6 h GLU 501 Ca 0.29 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3hp6 h GLU 501 Cb 0.09 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hp6 h GLU 501 CO -0.04 0.98 0.00 0.37 -1.00 0.00 0.00 179.01 179.32 3hp6 h GLN 502 N 0.74 0.20 -0.99 2.33 5.75 -0.76 -2.07 115.11 120.30 3hp6 h GLN 502 Ca 0.10 -0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.66 3hp6 h GLN 502 Cb 0.74 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.19 3hp6 h GLN 502 CO 0.06 0.44 0.62 0.52 -2.65 0.00 0.00 178.83 177.82 3hp6 h MET 503 N -0.06 0.94 -0.15 1.69 2.86 -0.68 -1.97 114.93 117.55 3hp6 h MET 503 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3hp6 h MET 503 Cb 0.35 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3hp6 h MET 503 CO 0.01 0.62 0.06 0.78 1.06 0.00 0.00 176.91 179.43 3hp6 h GLY 504 N 0.96 0.24 0.64 8.32 0.00 -0.60 -0.72 103.07 111.91 3hp6 h GLY 504 Ca 0.49 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.74 3hp6 h GLY 504 CO -0.27 0.12 0.12 1.70 0.00 0.00 0.00 176.54 178.21 3hp6 h LYS 505 N 0.08 0.26 -0.63 4.80 1.63 -1.07 0.13 116.57 121.77 3hp6 h LYS 505 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3hp6 h LYS 505 Cb 0.18 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 3hp6 h LYS 505 CO -0.00 0.17 0.35 0.93 -3.45 0.00 0.00 179.45 177.45 3hp6 h GLU 506 N 0.27 0.86 -0.22 1.90 5.08 -1.23 -2.74 114.58 118.51 3hp6 h GLU 506 Ca 0.17 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 3hp6 h GLU 506 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hp6 h GLU 506 CO -0.19 0.63 -0.66 1.25 -1.00 0.00 0.00 179.01 179.04 3hp6 h LEU 507 N 0.87 0.92 -1.04 1.33 5.85 -0.40 -1.83 115.31 121.02 3hp6 h LEU 507 Ca 0.22 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 3hp6 h LEU 507 Cb 0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3hp6 h LEU 507 CO -0.04 1.34 0.06 0.00 -0.34 0.00 0.00 178.44 179.47 3hp6 h ALA 508 N 0.66 1.22 -0.06 1.25 0.00 -0.80 0.27 119.26 121.80 3hp6 h ALA 508 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hp6 h ALA 508 Cb 1.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hp6 h ALA 508 CO 0.14 0.53 0.00 0.93 0.00 0.00 0.00 179.25 180.85 3hp6 h GLU 509 N 0.72 0.10 -0.55 0.00 5.08 -1.44 -2.76 114.58 115.73 3hp6 h GLU 509 Ca 0.15 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3hp6 h GLU 509 Cb 0.35 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3hp6 h GLU 509 CO 0.01 0.36 0.01 0.37 -1.00 0.00 0.00 179.01 178.75 3hp6 h GLN 510 N -0.18 0.97 -0.40 2.33 4.15 -0.86 -2.56 115.11 118.57 3hp6 h GLN 510 Ca 0.02 -0.31 0.06 0.00 0.77 0.00 0.00 58.65 59.18 3hp6 h GLN 510 Cb 0.31 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 3hp6 h GLN 510 CO 0.00 0.97 0.11 -0.07 -1.93 0.00 0.00 178.83 177.92 3hp6 h LEU 511 N 0.85 0.08 -0.20 -2.39 3.38 -0.53 -2.50 115.31 114.00 3hp6 h LEU 511 Ca 0.16 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3hp6 h LEU 511 Cb 0.53 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3hp6 h LEU 511 CO 0.03 0.08 -0.40 1.23 0.09 0.00 0.00 178.44 179.47 3hp6 h GLY 512 N 0.26 -0.60 1.72 0.83 0.00 -1.15 0.32 103.07 104.44 3hp6 h GLY 512 Ca 0.19 0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.98 3hp6 h GLY 512 CO -0.22 -0.21 -0.01 -0.91 0.00 0.00 0.00 176.54 175.19 3hp6 h THR 513 N -0.43 1.16 -0.02 4.70 1.35 -1.42 -1.17 112.91 117.08 3hp6 h THR 513 Ca 0.10 -0.61 -0.23 0.00 -0.55 0.00 0.00 66.41 65.11 3hp6 h THR 513 Cb 0.60 0.99 0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3hp6 h THR 513 CO -0.43 0.21 -0.95 0.58 -0.25 0.00 0.00 175.52 174.67 3hp6 h VAL 514 N 0.35 1.35 -0.39 6.82 2.07 -0.97 -2.27 116.25 123.22 3hp6 h VAL 514 Ca 0.08 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3hp6 h VAL 514 Cb 0.25 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3hp6 h VAL 514 CO 0.01 0.71 0.22 -0.08 0.02 0.00 0.00 177.57 178.44 3hp6 h GLU 515 N 0.30 0.54 -0.21 1.57 4.81 0.20 -1.29 114.58 120.51 3hp6 h GLU 515 Ca -0.09 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3hp6 h GLU 515 Cb 1.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3hp6 h GLU 515 CO 0.17 0.43 -0.09 1.96 -0.73 0.00 0.00 179.01 180.75 3hp6 h GLN 516 N 0.50 0.44 -0.72 1.92 1.08 -1.29 -2.30 115.11 114.74 3hp6 h GLN 516 Ca 0.14 -0.19 0.15 0.00 -1.45 0.00 0.00 58.65 57.30 3hp6 h GLN 516 Cb 0.05 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.36 3hp6 h GLN 516 CO -0.02 0.71 0.19 -0.09 -0.95 0.00 0.00 178.83 178.67 3hp6 h ARG 517 N 0.14 0.28 -0.77 1.46 9.65 -1.31 0.15 114.38 123.99 3hp6 h ARG 517 Ca 0.05 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3hp6 h ARG 517 Cb 0.57 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 3hp6 h ARG 517 CO 0.03 0.19 0.50 0.82 2.80 0.00 0.00 179.97 184.31 3hp6 h ILE 518 N 0.29 1.16 -0.48 1.20 2.04 -1.06 -0.77 117.51 119.89 3hp6 h ILE 518 Ca 0.40 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3hp6 h ILE 518 Cb 0.65 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3hp6 h ILE 518 CO -0.48 0.18 0.17 1.88 0.00 0.00 0.00 178.15 179.90 3hp6 h TYR 519 N 1.00 0.75 0.06 1.37 0.05 -0.37 0.77 116.97 120.60 3hp6 h TYR 519 Ca 0.30 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3hp6 h TYR 519 Cb -0.05 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3hp6 h TYR 519 CO -0.03 0.65 -0.06 0.93 -1.05 0.00 0.00 178.16 178.60 3hp6 h GLU 520 N 0.63 -0.13 -0.22 4.88 5.08 -0.51 1.12 114.58 125.43 3hp6 h GLU 520 Ca 0.16 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3hp6 h GLU 520 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hp6 h GLU 520 CO -0.01 -0.09 0.15 -0.07 -1.00 0.00 0.00 179.01 177.99 3hp6 h LEU 521 N -0.14 0.22 0.00 1.33 3.38 -1.03 -1.77 115.31 117.31 3hp6 h LEU 521 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hp6 h LEU 521 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hp6 h LEU 521 CO -0.02 0.16 -0.64 0.00 0.09 0.00 0.00 178.44 178.03 3hp6 h ALA 522 N 1.87 0.61 -1.51 1.53 0.00 -0.16 -3.48 119.26 118.11 3hp6 h ALA 522 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3hp6 h ALA 522 Cb 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3hp6 h ALA 522 CO -0.02 0.00 -0.35 0.41 0.00 0.00 0.00 179.25 179.29 3hp6 n GLY 523 N 1.28 0.65 3.56 0.00 0.00 0.38 -4.98 105.19 106.07 3hp6 n GLY 523 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3hp6 n GLY 523 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hp6 s GLN 524 N -4.07 0.67 0.01 1.61 0.74 -0.64 -5.00 119.66 112.97 3hp6 s GLN 524 Ca 0.00 0.08 -0.21 0.00 0.05 0.00 0.00 55.36 55.28 3hp6 s GLN 524 Cb 0.00 0.32 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 3hp6 s GLN 524 CO 0.00 -0.23 0.60 -1.21 -0.55 0.00 0.00 175.29 173.91 3hp6 s GLU 525 N -1.46 4.32 0.20 1.67 2.02 -1.26 -4.43 118.70 119.76 3hp6 s GLU 525 Ca -0.01 0.76 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 3hp6 s GLU 525 Cb -0.00 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.91 3hp6 s GLU 525 CO 0.01 0.38 0.48 -0.59 0.02 0.00 0.00 175.26 175.56 3hp6 s PHE 526 N -0.25 0.04 -0.67 1.61 -0.71 -1.26 -5.11 117.98 111.63 3hp6 s PHE 526 Ca 0.31 -0.39 -0.27 0.00 -1.04 0.00 0.00 56.93 55.54 3hp6 s PHE 526 Cb -0.18 0.30 0.01 0.00 -1.21 0.00 0.00 43.02 41.93 3hp6 s PHE 526 CO 0.18 -0.90 1.55 1.21 -1.34 0.00 0.00 175.22 175.91 3hp6 s ASN 527 N -2.91 5.76 0.53 1.98 3.84 -1.26 -4.86 114.94 118.02 3hp6 s ASN 527 Ca 0.12 -0.03 0.23 0.00 0.21 0.00 0.00 52.86 53.40 3hp6 s ASN 527 Cb -0.00 -2.55 1.44 0.00 -0.55 0.00 0.00 41.25 39.59 3hp6 s ASN 527 CO -0.00 -2.07 2.12 0.40 -2.79 0.00 0.00 177.10 174.76 3hp6 h ILE 528 N 6.44 0.75 0.00 -5.21 2.04 -1.99 -2.23 117.51 117.31 3hp6 h ILE 528 Ca -0.27 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hp6 h ILE 528 Cb 1.10 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3hp6 h ILE 528 CO 1.24 0.08 0.00 0.59 0.00 0.00 0.00 178.15 180.06 3hp6 n ASN 529 N -3.99 0.00 -4.38 1.72 3.02 -1.26 -4.60 115.26 105.77 3hp6 n ASN 529 Ca -0.03 -1.08 -0.40 0.00 -0.03 0.00 0.00 54.58 53.04 3hp6 n ASN 529 Cb 0.17 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 3hp6 n ASN 529 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hp6 s SER 530 N -1.92 5.74 0.58 6.41 0.15 -0.84 -4.95 113.70 118.87 3hp6 s SER 530 Ca 0.44 -0.97 0.28 0.00 0.70 0.00 0.00 55.95 56.40 3hp6 s SER 530 Cb 0.20 -2.03 1.65 0.00 -1.71 0.00 0.00 66.02 64.13 3hp6 s SER 530 CO 0.34 -0.38 2.12 -0.65 1.20 0.00 0.00 173.24 175.87 3hp6 h PRO 531 N 8.44 0.00 0.01 5.44 0.11 -1.86 -1.53 132.00 142.61 3hp6 h PRO 531 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hp6 h PRO 531 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hp6 h PRO 531 CO 0.67 0.00 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.23 3hp6 h LYS 532 N 0.00 -0.01 -0.64 1.05 1.63 -1.92 -1.44 116.57 115.23 3hp6 h LYS 532 Ca 0.08 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 3hp6 h LYS 532 Cb 0.42 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3hp6 h LYS 532 CO -0.00 0.42 0.13 1.96 -3.45 0.00 0.00 179.45 178.51 3hp6 h GLN 533 N -0.45 1.02 -0.64 1.90 4.20 -1.73 -2.86 115.11 116.55 3hp6 h GLN 533 Ca -0.00 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 3hp6 h GLN 533 Cb 0.44 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3hp6 h GLN 533 CO 0.00 0.92 0.27 1.25 -0.67 0.00 0.00 178.83 180.61 3hp6 h LEU 534 N 0.97 0.87 -1.01 1.46 5.85 -1.33 -2.18 115.31 119.94 3hp6 h LEU 534 Ca 0.20 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hp6 h LEU 534 Cb 0.38 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3hp6 h LEU 534 CO 0.01 0.79 0.66 1.23 -0.34 0.00 0.00 178.44 180.78 3hp6 h GLY 535 N 0.89 1.49 0.97 3.75 0.00 -1.07 0.03 103.07 109.13 3hp6 h GLY 535 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3hp6 h GLY 535 CO -0.02 0.41 0.24 -2.08 0.00 0.00 0.00 176.54 175.09 3hp6 h VAL 536 N 1.25 1.19 0.04 4.60 2.07 -1.32 -0.54 116.25 123.55 3hp6 h VAL 536 Ca 0.41 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hp6 h VAL 536 Cb 0.04 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3hp6 h VAL 536 CO -0.14 0.21 -0.02 0.40 0.02 0.00 0.00 177.57 178.04 3hp6 h ILE 537 N 0.66 1.02 -0.17 4.57 1.08 -0.62 -0.75 117.51 123.30 3hp6 h ILE 537 Ca 0.17 -0.19 -0.20 0.00 -0.39 0.00 0.00 64.86 64.25 3hp6 h ILE 537 Cb 0.11 1.15 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3hp6 h ILE 537 CO -0.02 0.05 -0.69 -0.07 -0.69 0.00 0.00 178.15 176.72 3hp6 h LEU 538 N -0.14 0.90 0.00 1.44 3.38 -1.02 0.16 115.31 120.03 3hp6 h LEU 538 Ca -0.01 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3hp6 h LEU 538 Cb 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hp6 h LEU 538 CO 0.01 1.36 -1.19 0.49 0.09 0.00 0.00 178.44 179.20 3hp6 n PHE 539 N -4.01 0.00 -0.02 1.13 3.72 -0.21 -0.40 117.46 117.67 3hp6 n PHE 539 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 3hp6 n PHE 539 Cb 0.70 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 3hp6 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hp6 n GLU 540 N -1.69 0.22 0.10 -1.08 1.02 -0.47 -4.13 120.64 114.61 3hp6 n GLU 540 Ca -0.00 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 3hp6 n GLU 540 Cb 0.30 -0.83 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 3hp6 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3hp6 h LYS 541 N -0.42 -0.21 0.00 3.49 3.64 -1.15 -3.26 116.57 118.66 3hp6 h LYS 541 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hp6 h LYS 541 Cb 0.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3hp6 h LYS 541 CO 0.00 0.02 -0.40 1.28 -2.27 0.00 0.00 179.45 178.07 3hp6 n LEU 542 N -5.10 0.65 -2.94 5.20 4.77 0.55 -4.97 117.00 115.17 3hp6 n LEU 542 Ca -0.09 0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 3hp6 n LEU 542 Cb 0.18 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3hp6 n LEU 542 CO 0.33 -0.06 -0.06 0.00 -1.33 0.00 0.00 177.39 176.27 3hp6 n GLN 543 N -2.02 -3.95 -1.39 3.23 6.02 -0.98 -4.94 117.38 113.36 3hp6 n GLN 543 Ca 0.04 0.83 -0.32 0.00 -0.01 0.00 0.00 57.00 57.54 3hp6 n GLN 543 Cb 0.42 -5.62 0.08 0.00 1.02 0.00 0.00 30.24 26.14 3hp6 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hp6 s LEU 544 N -6.48 3.16 0.48 1.08 1.43 0.47 -4.96 118.68 113.86 3hp6 s LEU 544 Ca 0.25 1.98 -0.24 0.00 -1.03 0.00 0.00 54.13 55.09 3hp6 s LEU 544 Cb -0.12 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.49 3hp6 s LEU 544 CO 0.31 -2.04 1.33 -2.84 0.23 0.00 0.00 176.35 173.34 3hp6 s PRO 545 N -4.50 3.56 -0.51 1.29 0.02 -1.26 -4.61 135.00 128.99 3hp6 s PRO 545 Ca 0.65 2.19 -0.16 0.00 0.02 0.00 0.00 61.00 63.70 3hp6 s PRO 545 Cb -0.20 -2.50 0.09 0.00 0.02 0.00 0.00 34.50 31.92 3hp6 s PRO 545 CO 0.50 -0.84 0.49 0.08 -0.33 0.00 0.00 177.00 176.90 3hp6 s VAL 546 N -1.30 5.14 -0.03 3.83 1.01 -1.26 -4.92 120.40 122.87 3hp6 s VAL 546 Ca 0.64 -1.14 0.12 0.00 0.00 0.00 0.00 61.98 61.61 3hp6 s VAL 546 Cb -0.39 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.57 3hp6 s VAL 546 CO 0.48 -0.76 0.97 -0.07 0.00 0.00 0.00 175.10 175.73 3hp6 h LEU 547 N 9.03 0.00 -7.11 3.92 3.38 -1.93 -3.47 115.31 119.13 3hp6 h LEU 547 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3hp6 h LEU 547 Cb 1.10 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.63 3hp6 h LEU 547 CO 0.97 0.84 -0.05 -0.75 0.09 0.00 0.00 178.44 179.53 3hp6 s LYS 548 N -2.75 0.65 0.08 1.13 2.20 -1.26 -5.10 119.74 114.69 3hp6 s LYS 548 Ca -0.02 0.91 0.09 0.00 -0.36 0.00 0.00 55.97 56.59 3hp6 s LYS 548 Cb 0.09 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.61 3hp6 s LYS 548 CO 0.81 -0.11 -0.24 0.15 -0.36 0.00 0.00 175.35 175.60 3hp6 s LYS 549 N 0.77 1.43 0.40 4.03 1.02 -1.26 -0.75 119.74 125.37 3hp6 s LYS 549 Ca -0.04 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.83 3hp6 s LYS 549 Cb -0.05 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3hp6 s LYS 549 CO -0.06 0.42 0.10 0.25 -0.92 0.00 0.00 175.35 175.14 3hp6 n THR 550 N 1.42 0.00 0.25 2.17 -2.24 0.85 -4.88 114.28 111.85 3hp6 n THR 550 Ca -0.18 -1.77 0.16 0.00 -2.27 0.00 0.00 64.05 59.99 3hp6 n THR 550 Cb 0.53 0.20 0.86 0.00 -2.10 0.00 0.00 70.33 69.82 3hp6 n THR 550 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hp6 h LYS 551 N 0.00 0.00 0.00 -0.78 2.10 -2.01 -2.65 116.57 113.23 3hp6 h LYS 551 Ca -0.30 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.27 3hp6 h LYS 551 Cb 0.97 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 3hp6 h LYS 551 CO 0.49 0.00 -1.17 1.79 -2.00 0.00 0.00 179.45 178.57 3hp6 h THR 552 N 0.00 0.24 0.00 0.07 1.35 -2.04 -3.51 112.91 109.03 3hp6 h THR 552 Ca 0.04 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3hp6 h THR 552 Cb 0.24 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3hp6 h THR 552 CO -0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3hp6 n GLY 553 N 1.28 0.03 3.75 5.82 0.00 -1.00 -5.08 105.19 109.99 3hp6 n GLY 553 Ca -0.04 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3hp6 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hp6 s TYR 554 N -3.37 2.82 0.27 1.61 1.51 -1.26 -0.11 117.35 118.82 3hp6 s TYR 554 Ca 0.00 0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 3hp6 s TYR 554 Cb 0.00 -4.03 -0.09 0.00 -0.11 0.00 0.00 41.96 37.73 3hp6 s TYR 554 CO 0.00 -3.50 0.99 0.45 -1.11 0.00 0.00 175.55 172.38 3hp6 s SER 555 N 0.55 7.44 -0.13 2.29 0.15 0.07 -4.83 113.70 119.24 3hp6 s SER 555 Ca 0.64 2.04 0.17 0.00 0.70 0.00 0.00 55.95 59.50 3hp6 s SER 555 Cb -0.47 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 61.66 3hp6 s SER 555 CO 0.45 0.00 1.19 0.35 1.20 0.00 0.00 173.24 176.44 3hp6 n THR 556 N 1.18 1.30 -1.26 6.45 -2.24 -1.26 -4.85 114.28 113.60 3hp6 n THR 556 Ca -0.01 -2.39 -0.33 0.00 -2.27 0.00 0.00 64.05 59.05 3hp6 n THR 556 Cb 0.47 0.28 0.11 0.00 -2.10 0.00 0.00 70.33 69.08 3hp6 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hp6 s SER 557 N -2.79 3.99 0.27 3.42 1.04 -1.26 -4.67 113.70 113.70 3hp6 s SER 557 Ca 0.37 2.24 0.01 0.00 0.48 0.00 0.00 55.95 59.04 3hp6 s SER 557 Cb 0.38 -2.57 0.61 0.00 0.10 0.00 0.00 66.02 64.53 3hp6 s SER 557 CO -0.10 -2.39 1.73 0.00 0.98 0.00 0.00 173.24 173.45 3hp6 h ALA 558 N -0.73 1.32 -0.57 5.32 0.00 -1.98 0.33 119.26 122.95 3hp6 h ALA 558 Ca -0.46 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3hp6 h ALA 558 Cb 1.28 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3hp6 h ALA 558 CO 0.48 -0.22 0.28 -0.44 0.00 0.00 0.00 179.25 179.35 3hp6 h ASP 559 N 0.50 0.74 -0.29 0.00 3.45 -1.97 -0.60 116.42 118.25 3hp6 h ASP 559 Ca 0.50 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.81 3hp6 h ASP 559 Cb 0.83 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 3hp6 h ASP 559 CO -0.44 0.66 0.08 0.58 -1.57 0.00 0.00 179.24 178.55 3hp6 h VAL 560 N 0.76 1.21 -0.49 -1.35 2.07 -1.68 -2.56 116.25 114.21 3hp6 h VAL 560 Ca 0.19 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hp6 h VAL 560 Cb 0.11 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3hp6 h VAL 560 CO -0.03 0.22 0.26 -0.07 0.02 0.00 0.00 177.57 177.98 3hp6 h LEU 561 N 0.30 0.62 -0.96 2.57 3.38 -0.82 -1.67 115.31 118.73 3hp6 h LEU 561 Ca 0.09 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3hp6 h LEU 561 Cb 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3hp6 h LEU 561 CO -0.00 0.54 0.62 -0.33 0.09 0.00 0.00 178.44 179.36 3hp6 h GLU 562 N 0.65 1.14 0.00 1.13 5.08 -1.08 -0.89 114.58 120.61 3hp6 h GLU 562 Ca 0.17 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3hp6 h GLU 562 Cb 0.06 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3hp6 h GLU 562 CO -0.03 0.76 -0.12 0.87 -1.00 0.00 0.00 179.01 179.49 3hp6 h LYS 563 N 1.18 0.00 -0.01 2.33 1.57 -0.98 -2.77 116.57 117.89 3hp6 h LYS 563 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3hp6 h LYS 563 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hp6 h LYS 563 CO -0.14 0.12 -0.15 1.28 -0.57 0.00 0.00 179.45 179.99 3hp6 n LEU 564 N -3.52 0.78 -0.33 2.94 4.77 -0.38 -4.33 117.00 116.93 3hp6 n LEU 564 Ca -0.01 -0.15 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3hp6 n LEU 564 Cb 0.27 -0.13 0.32 0.00 -2.33 0.00 0.00 43.42 41.55 3hp6 n LEU 564 CO 0.30 0.14 1.21 0.00 -1.33 0.00 0.00 177.39 177.71 3hp6 h ALA 565 N 3.73 1.70 0.00 -1.18 0.00 -1.16 -1.18 119.26 121.17 3hp6 h ALA 565 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hp6 h ALA 565 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hp6 h ALA 565 CO 0.00 -0.01 0.00 -2.30 0.00 0.00 0.00 179.25 176.94 3hp6 n PRO 566 N -4.66 0.06 -0.08 0.00 -0.02 -1.26 -3.34 135.00 125.70 3hp6 n PRO 566 Ca 0.21 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3hp6 n PRO 566 Cb 0.50 -1.64 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 3hp6 n PRO 566 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hp6 n TYR 567 N -1.76 0.32 -3.64 6.00 4.02 -0.45 -4.99 117.16 116.65 3hp6 n TYR 567 Ca 0.02 0.10 -0.06 0.00 -0.01 0.00 0.00 57.90 57.96 3hp6 n TYR 567 Cb 0.13 -1.05 -0.07 0.00 -0.02 0.00 0.00 39.34 38.33 3hp6 n TYR 567 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3hp6 s HIS 568 N -2.52 -0.80 -0.83 -0.72 2.46 -1.21 -5.04 115.29 106.62 3hp6 s HIS 568 Ca -0.13 1.63 0.15 0.00 0.47 0.00 0.00 55.06 57.19 3hp6 s HIS 568 Cb 0.07 0.47 0.65 0.00 -0.13 0.00 0.00 32.58 33.64 3hp6 s HIS 568 CO 0.79 -0.40 1.47 -0.85 -2.47 0.00 0.00 174.74 173.29 3hp6 n GLU 569 N 3.82 0.05 0.00 2.88 0.28 -1.26 -3.09 120.64 123.33 3hp6 n GLU 569 Ca -0.19 0.35 0.04 0.00 -0.16 0.00 0.00 57.16 57.20 3hp6 n GLU 569 Cb 0.58 -1.61 0.43 0.00 1.43 0.00 0.00 31.44 32.26 3hp6 n GLU 569 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 3hp6 h ILE 570 N 0.00 1.10 -0.30 3.84 2.10 -1.94 -2.79 117.51 119.52 3hp6 h ILE 570 Ca 0.00 -0.19 -0.02 0.00 1.08 0.00 0.00 64.86 65.73 3hp6 h ILE 570 Cb 0.23 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 3hp6 h ILE 570 CO 0.00 0.10 0.10 -0.37 -1.08 0.00 0.00 178.15 176.90 3hp6 h VAL 571 N 0.55 1.13 -0.13 2.19 -1.51 -1.90 -0.33 116.25 116.25 3hp6 h VAL 571 Ca 0.15 -0.44 -0.16 0.00 -1.23 0.00 0.00 66.70 65.02 3hp6 h VAL 571 Cb -0.06 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 3hp6 h VAL 571 CO -0.03 0.16 -0.61 -0.33 -1.23 0.00 0.00 177.57 175.53 3hp6 h GLU 572 N 0.42 0.46 -0.51 5.19 5.08 -1.74 -1.38 114.58 122.10 3hp6 h GLU 572 Ca 0.10 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3hp6 h GLU 572 Cb 0.13 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hp6 h GLU 572 CO -0.01 0.92 -0.00 -0.91 -1.00 0.00 0.00 179.01 178.02 3hp6 h ASN 573 N 0.34 0.88 -0.21 1.42 2.35 -1.32 -1.38 115.58 117.66 3hp6 h ASN 573 Ca -0.01 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3hp6 h ASN 573 Cb 1.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 3hp6 h ASN 573 CO 0.11 0.97 0.13 0.40 -1.65 0.00 0.00 177.43 177.39 3hp6 h ILE 574 N 0.76 1.08 -0.74 2.81 2.04 -1.00 0.35 117.51 122.80 3hp6 h ILE 574 Ca 0.14 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3hp6 h ILE 574 Cb 0.52 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3hp6 h ILE 574 CO 0.03 0.07 0.40 -0.07 0.00 0.00 0.00 178.15 178.58 3hp6 h LEU 575 N 0.26 0.56 -0.11 1.44 3.38 -1.07 -0.08 115.31 119.69 3hp6 h LEU 575 Ca 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hp6 h LEU 575 Cb 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hp6 h LEU 575 CO -0.01 0.33 0.01 -0.74 0.09 0.00 0.00 178.44 178.11 3hp6 h HIS 576 N 0.70 0.20 -0.57 1.13 2.76 -1.00 -2.31 115.15 116.06 3hp6 h HIS 576 Ca 0.36 -0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.61 3hp6 h HIS 576 Cb 0.32 -0.05 -0.10 0.00 1.55 0.00 0.00 27.41 29.13 3hp6 h HIS 576 CO -0.08 0.42 -0.01 -0.92 -1.30 0.00 0.00 177.93 176.04 3hp6 h TYR 577 N -0.08 -0.05 -0.46 5.26 3.20 -0.60 -1.04 116.97 123.20 3hp6 h TYR 577 Ca 0.03 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3hp6 h TYR 577 Cb 0.34 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3hp6 h TYR 577 CO 0.03 -0.15 -0.02 0.00 -1.64 0.00 0.00 178.16 176.38 3hp6 h ARG 578 N 0.11 0.77 -0.34 1.82 3.08 -0.85 0.20 114.38 119.18 3hp6 h ARG 578 Ca 0.30 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3hp6 h ARG 578 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3hp6 h ARG 578 CO -0.49 0.79 0.01 1.96 -1.07 0.00 0.00 179.97 181.17 3hp6 h GLN 579 N 0.72 0.60 -0.44 0.04 4.20 -0.95 -1.66 115.11 117.62 3hp6 h GLN 579 Ca 0.14 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3hp6 h GLN 579 Cb 0.47 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3hp6 h GLN 579 CO 0.02 0.71 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.81 3hp6 h LEU 580 N 0.41 0.78 -1.29 1.46 3.38 -0.90 -2.26 115.31 116.89 3hp6 h LEU 580 Ca 0.10 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3hp6 h LEU 580 Cb 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hp6 h LEU 580 CO 0.02 0.91 0.49 1.23 0.09 0.00 0.00 178.44 181.17 3hp6 h GLY 581 N 0.63 1.03 0.86 0.83 0.00 -0.57 -1.13 103.07 104.72 3hp6 h GLY 581 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3hp6 h GLY 581 CO 0.03 0.34 0.05 1.70 0.00 0.00 0.00 176.54 178.66 3hp6 h LYS 582 N 0.95 0.27 -0.64 4.80 1.63 -1.09 -0.10 116.57 122.39 3hp6 h LYS 582 Ca 0.28 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 60.09 3hp6 h LYS 582 Cb -0.04 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.50 3hp6 h LYS 582 CO -0.07 0.39 0.33 -0.07 -3.45 0.00 0.00 179.45 176.58 3hp6 h LEU 583 N 0.10 0.47 0.18 5.20 3.38 -1.01 -0.42 115.31 123.21 3hp6 h LEU 583 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hp6 h LEU 583 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hp6 h LEU 583 CO -0.00 0.30 -0.09 -0.61 0.09 0.00 0.00 178.44 178.13 3hp6 h GLN 584 N 0.61 -0.24 0.02 1.13 5.75 -1.09 -1.36 115.11 119.93 3hp6 h GLN 584 Ca 0.29 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3hp6 h GLN 584 Cb 0.22 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3hp6 h GLN 584 CO -0.20 0.15 -0.01 0.66 -2.65 0.00 0.00 178.83 176.78 3hp6 h SER 585 N -0.71 -0.02 0.00 -0.69 4.64 -0.98 0.55 113.55 116.34 3hp6 h SER 585 Ca -0.03 -0.50 -0.07 0.00 -0.47 0.00 0.00 61.79 60.73 3hp6 h SER 585 Cb 0.50 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3hp6 h SER 585 CO 0.04 0.49 -0.43 0.74 -0.87 0.00 0.00 176.83 176.81 3hp6 h THR 586 N -0.54 1.05 0.00 2.95 2.02 -1.23 -2.20 112.91 114.97 3hp6 h THR 586 Ca -0.00 -1.93 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 3hp6 h THR 586 Cb 0.51 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3hp6 h THR 586 CO 0.00 0.36 -0.13 1.88 0.37 0.00 0.00 175.52 178.00 3hp6 h TYR 587 N -1.00 0.00 0.13 3.16 0.05 -1.50 -3.18 116.97 114.63 3hp6 h TYR 587 Ca -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 3hp6 h TYR 587 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 3hp6 h TYR 587 CO 0.13 0.24 -0.06 0.82 -1.05 0.00 0.00 178.16 178.24 3hp6 h ILE 588 N -1.00 0.00 -0.68 -2.88 1.08 -1.28 0.25 117.51 112.99 3hp6 h ILE 588 Ca -0.01 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3hp6 h ILE 588 Cb 0.31 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 3hp6 h ILE 588 CO -0.01 0.00 0.36 -0.33 -0.69 0.00 0.00 178.15 177.48 3hp6 h GLU 589 N -0.33 0.96 -0.26 2.37 5.08 -1.02 -1.63 114.58 119.74 3hp6 h GLU 589 Ca -0.02 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hp6 h GLU 589 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3hp6 h GLU 589 CO 0.03 0.74 0.13 0.78 -1.00 0.00 0.00 179.01 179.68 3hp6 h GLY 590 N 0.94 0.34 1.16 -3.84 0.00 -1.37 -2.18 103.07 98.13 3hp6 h GLY 590 Ca 0.24 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 3hp6 h GLY 590 CO -0.04 0.07 -0.32 1.41 0.00 0.00 0.00 176.54 177.66 3hp6 h LEU 591 N 0.27 0.98 -1.48 3.11 3.38 -0.37 -3.15 115.31 118.04 3hp6 h LEU 591 Ca 0.11 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3hp6 h LEU 591 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hp6 h LEU 591 CO -0.08 1.21 -0.18 -0.07 0.09 0.00 0.00 178.44 179.42 3hp6 h LEU 592 N 0.78 0.11 -1.47 1.67 3.38 -1.15 -1.73 115.31 116.89 3hp6 h LEU 592 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hp6 h LEU 592 Cb 0.91 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3hp6 h LEU 592 CO 0.08 0.30 -0.01 0.11 0.09 0.00 0.00 178.44 179.01 3hp6 h LYS 593 N 0.11 0.33 -0.01 1.13 1.57 -1.35 -3.24 116.57 115.11 3hp6 h LYS 593 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hp6 h LYS 593 Cb 0.38 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hp6 h LYS 593 CO 0.03 0.37 -0.34 1.33 -0.57 0.00 0.00 179.45 180.26 3hp6 n VAL 594 N -4.35 0.00 -1.98 0.50 0.24 -0.73 -4.98 118.33 107.04 3hp6 n VAL 594 Ca 0.00 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 3hp6 n VAL 594 Cb 0.20 1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3hp6 n VAL 594 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hp6 s VAL 595 N -1.84 2.50 -0.23 3.34 1.01 -0.74 -4.68 120.40 119.76 3hp6 s VAL 595 Ca 0.12 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 3hp6 s VAL 595 Cb 0.12 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3hp6 s VAL 595 CO 0.39 0.09 0.93 -0.13 0.00 0.00 0.00 175.10 176.38 3hp6 s ARG 596 N -1.07 4.23 0.30 2.72 0.52 -0.07 -4.92 118.95 120.65 3hp6 s ARG 596 Ca 0.56 1.14 0.02 0.00 -0.52 0.00 0.00 55.73 56.93 3hp6 s ARG 596 Cb -0.43 -3.64 0.47 0.00 0.52 0.00 0.00 34.95 31.87 3hp6 s ARG 596 CO 0.50 -0.55 1.80 -1.35 0.02 0.00 0.00 175.30 175.72 3hp6 h PRO 597 N 7.54 0.60 -0.06 3.54 0.11 -1.93 0.28 132.00 142.08 3hp6 h PRO 597 Ca -0.22 -0.16 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 3hp6 h PRO 597 Cb 1.08 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3hp6 h PRO 597 CO 0.92 0.67 -0.66 0.00 -0.21 0.00 0.00 178.00 178.72 3hp6 h ALA 598 N 1.37 0.77 0.00 -0.75 0.00 -1.99 -3.31 119.26 115.36 3hp6 h ALA 598 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hp6 h ALA 598 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hp6 h ALA 598 CO 0.02 0.76 -1.20 0.25 0.00 0.00 0.00 179.25 179.08 3hp6 n THR 599 N -3.84 0.00 -2.57 0.00 -2.24 -1.12 -4.99 114.28 99.52 3hp6 n THR 599 Ca -0.03 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 3hp6 n THR 599 Cb 0.65 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 3hp6 n THR 599 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hp6 n LYS 600 N -1.69 -2.54 -4.11 -0.78 4.76 0.98 -4.87 118.16 109.92 3hp6 n LYS 600 Ca 0.00 0.96 -0.31 0.00 -2.87 0.00 0.00 58.31 56.09 3hp6 n LYS 600 Cb 0.33 -5.68 -0.07 0.00 -1.84 0.00 0.00 35.03 27.77 3hp6 n LYS 600 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hp6 s LYS 601 N -5.22 2.85 -0.04 1.97 1.02 -1.21 0.09 119.74 119.19 3hp6 s LYS 601 Ca 0.08 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.41 3hp6 s LYS 601 Cb -0.04 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3hp6 s LYS 601 CO 0.10 0.59 -0.01 0.14 -0.92 0.00 0.00 175.35 175.25 3hp6 s VAL 602 N -1.29 4.14 -0.38 3.17 -7.23 -0.13 -0.90 120.40 117.78 3hp6 s VAL 602 Ca 0.26 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.99 3hp6 s VAL 602 Cb -0.12 -2.79 0.11 0.00 0.56 0.00 0.00 36.38 34.15 3hp6 s VAL 602 CO 0.18 0.49 0.14 -1.00 -0.31 0.00 0.00 175.10 174.60 3hp6 s HIS 603 N -0.97 2.74 1.04 2.82 0.09 -1.26 -1.65 115.29 118.09 3hp6 s HIS 603 Ca 0.16 -2.58 -0.14 0.00 -0.00 0.00 0.00 55.06 52.51 3hp6 s HIS 603 Cb -0.11 -2.37 0.21 0.00 -0.00 0.00 0.00 32.58 30.30 3hp6 s HIS 603 CO 0.06 -0.86 1.11 -0.08 -0.00 0.00 0.00 174.74 174.97 3hp6 s THR 604 N 0.77 1.92 -0.15 1.30 -1.32 -1.26 -4.62 115.64 112.27 3hp6 s THR 604 Ca 0.13 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3hp6 s THR 604 Cb -0.21 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 3hp6 s THR 604 CO -0.10 0.00 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.50 3hp6 s ILE 605 N -3.04 1.87 -0.38 5.08 1.01 -0.91 -4.73 121.20 120.11 3hp6 s ILE 605 Ca 0.67 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 3hp6 s ILE 605 Cb -0.16 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3hp6 s ILE 605 CO 0.57 0.51 0.85 -0.36 0.00 0.00 0.00 174.94 176.51 3hp6 s PHE 606 N 1.20 3.08 -0.35 3.97 0.08 -1.26 -1.96 117.98 122.73 3hp6 s PHE 606 Ca 0.01 0.62 -0.27 0.00 0.12 0.00 0.00 56.93 57.41 3hp6 s PHE 606 Cb -0.14 -3.55 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 3hp6 s PHE 606 CO -0.09 -0.80 0.96 1.21 -0.10 0.00 0.00 175.22 176.40 3hp6 s ASN 607 N 1.89 6.75 0.00 1.36 3.84 0.14 -4.87 114.94 124.04 3hp6 s ASN 607 Ca 0.34 0.71 0.25 0.00 0.21 0.00 0.00 52.86 54.38 3hp6 s ASN 607 Cb -0.12 -2.48 0.56 0.00 -0.55 0.00 0.00 41.25 38.65 3hp6 s ASN 607 CO 0.18 -0.86 1.44 1.67 -2.79 0.00 0.00 177.10 176.75 3hp6 n GLN 608 N 6.80 0.86 -2.60 0.43 7.27 -1.26 -1.77 117.38 127.11 3hp6 n GLN 608 Ca 0.08 -0.57 -0.12 0.00 0.07 0.00 0.00 57.00 56.47 3hp6 n GLN 608 Cb 0.48 -1.49 0.03 0.00 2.41 0.00 0.00 30.24 31.67 3hp6 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hp6 n ALA 609 N -0.57 3.70 0.03 1.69 0.00 -1.26 -4.86 120.51 119.25 3hp6 n ALA 609 Ca 0.11 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3hp6 n ALA 609 Cb 0.37 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3hp6 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hp6 n LEU 610 N -0.36 0.43 -4.78 0.00 0.00 -1.26 -4.90 117.00 106.14 3hp6 n LEU 610 Ca 0.18 0.11 -0.34 0.00 0.00 0.00 0.00 56.01 55.96 3hp6 n LEU 610 Cb 0.80 -0.10 0.02 0.00 0.00 0.00 0.00 43.42 44.15 3hp6 n LEU 610 CO 0.24 -0.43 0.76 0.42 0.00 0.00 0.00 177.39 178.38 3hp6 s THR 611 N -2.00 3.28 -0.78 1.96 -4.23 -1.26 -4.92 115.64 107.69 3hp6 s THR 611 Ca 0.00 0.69 0.25 0.00 -1.18 0.00 0.00 61.69 61.45 3hp6 s THR 611 Cb 0.00 -3.22 0.25 0.00 1.34 0.00 0.00 72.50 70.87 3hp6 s THR 611 CO 0.00 -0.27 1.77 0.00 -0.54 0.00 0.00 174.62 175.58 3hp6 n GLN 612 N -1.82 0.15 0.00 3.99 1.13 -1.26 -3.35 117.38 116.22 3hp6 n GLN 612 Ca 0.11 0.20 0.07 0.00 -1.94 0.00 0.00 57.00 55.44 3hp6 n GLN 612 Cb 0.52 -1.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 3hp6 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3hp6 n THR 613 N -1.98 0.00 -0.02 5.09 -2.24 -1.26 -4.78 114.28 109.10 3hp6 n THR 613 Ca 0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3hp6 n THR 613 Cb 0.34 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3hp6 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hp6 n GLY 614 N 1.17 0.47 3.73 3.38 0.00 -1.21 -3.98 105.19 108.74 3hp6 n GLY 614 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hp6 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hp6 s ARG 615 N -0.98 1.98 0.79 1.61 0.52 -1.26 -4.81 118.95 116.80 3hp6 s ARG 615 Ca 0.00 1.41 -0.12 0.00 -0.52 0.00 0.00 55.73 56.50 3hp6 s ARG 615 Cb 0.00 -1.85 0.07 0.00 0.52 0.00 0.00 34.95 33.69 3hp6 s ARG 615 CO 0.00 -1.89 1.13 -0.51 0.02 0.00 0.00 175.30 174.06 3hp6 s LEU 616 N -5.81 2.58 0.31 2.53 1.43 -1.26 -4.16 118.68 114.29 3hp6 s LEU 616 Ca 0.66 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 3hp6 s LEU 616 Cb -0.21 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3hp6 s LEU 616 CO 0.52 -1.82 0.07 -0.94 0.23 0.00 0.00 176.35 174.41 3hp6 s SER 617 N -4.33 2.11 -0.02 2.29 1.04 -0.73 -4.93 113.70 109.14 3hp6 s SER 617 Ca 0.61 -1.40 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 3hp6 s SER 617 Cb -0.12 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.03 3hp6 s SER 617 CO 0.51 -0.66 0.03 -0.55 0.98 0.00 0.00 173.24 173.55 3hp6 s SER 618 N -3.45 0.02 0.03 7.02 0.15 -1.26 -0.69 113.70 115.52 3hp6 s SER 618 Ca 0.36 0.05 -0.00 0.00 0.70 0.00 0.00 55.95 57.06 3hp6 s SER 618 Cb 0.08 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3hp6 s SER 618 CO 0.15 -0.07 -0.03 0.42 1.20 0.00 0.00 173.24 174.90 3hp6 s THR 619 N 0.59 0.15 -1.07 6.45 -4.23 -0.83 -4.17 115.64 112.53 3hp6 s THR 619 Ca -0.05 -1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 59.25 3hp6 s THR 619 Cb -0.07 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 3hp6 s THR 619 CO -0.02 -0.58 0.82 1.21 -0.54 0.00 0.00 174.62 175.52 3hp6 n GLU 620 N 1.34 -1.55 -2.87 3.99 2.13 -1.26 -2.15 120.64 120.27 3hp6 n GLU 620 Ca -0.22 0.66 -0.27 0.00 0.66 0.00 0.00 57.16 57.99 3hp6 n GLU 620 Cb 0.56 -4.71 -0.01 0.00 0.27 0.00 0.00 31.44 27.55 3hp6 n GLU 620 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3hp6 s PRO 621 N -5.25 3.56 -0.26 5.31 0.04 -1.26 -4.45 135.00 132.69 3hp6 s PRO 621 Ca 0.43 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.27 3hp6 s PRO 621 Cb -0.12 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 3hp6 s PRO 621 CO 0.82 -0.08 1.30 1.21 0.04 0.00 0.00 177.00 180.29 3hp6 s ASN 622 N -3.93 6.74 -0.10 6.66 3.84 -1.26 -4.64 114.94 122.25 3hp6 s ASN 622 Ca 0.46 1.37 0.17 0.00 0.21 0.00 0.00 52.86 55.07 3hp6 s ASN 622 Cb -0.10 -2.54 0.64 0.00 -0.55 0.00 0.00 41.25 38.70 3hp6 s ASN 622 CO 0.41 -0.99 1.56 0.18 -2.79 0.00 0.00 177.10 175.46 3hp6 n LEU 623 N 7.35 4.39 -0.89 3.21 4.77 -1.26 -4.18 117.00 130.39 3hp6 n LEU 623 Ca 0.15 -2.43 0.09 0.00 -0.03 0.00 0.00 56.01 53.78 3hp6 n LEU 623 Cb 0.46 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 3hp6 n LEU 623 CO 0.61 0.80 0.64 0.00 -1.33 0.00 0.00 177.39 178.11 3hp6 n GLN 624 N 0.89 2.34 -1.18 3.23 6.02 -1.26 -4.44 117.38 122.97 3hp6 n GLN 624 Ca 0.23 -2.08 0.04 0.00 -0.01 0.00 0.00 57.00 55.18 3hp6 n GLN 624 Cb 0.82 -1.39 0.11 0.00 1.02 0.00 0.00 30.24 30.80 3hp6 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hp6 n ASN 625 N 1.04 1.51 -4.74 1.08 6.94 -1.26 -5.03 115.26 114.81 3hp6 n ASN 625 Ca 0.15 -2.93 -0.41 0.00 -0.02 0.00 0.00 54.58 51.37 3hp6 n ASN 625 Cb 0.49 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 3hp6 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hp6 s ILE 626 N -1.82 3.58 0.64 1.53 -1.09 -1.26 -4.93 121.20 117.85 3hp6 s ILE 626 Ca 0.36 1.32 -0.18 0.00 -2.23 0.00 0.00 60.65 59.92 3hp6 s ILE 626 Cb 0.38 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 3hp6 s ILE 626 CO -0.11 0.21 1.24 -2.84 -1.23 0.00 0.00 174.94 172.20 3hp6 s PRO 627 N -0.17 2.63 0.00 2.79 0.02 -1.26 -4.92 135.00 134.08 3hp6 s PRO 627 Ca 0.53 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3hp6 s PRO 627 Cb -0.33 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3hp6 s PRO 627 CO 0.36 -1.49 0.00 1.51 -0.33 0.00 0.00 177.00 177.05 3hp6 n ILE 628 N -1.97 0.00 0.16 2.83 3.06 -1.26 -4.19 119.36 117.99 3hp6 n ILE 628 Ca 0.14 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.41 3hp6 n ILE 628 Cb 0.49 0.00 0.24 0.00 0.54 0.00 0.00 39.64 40.91 3hp6 n ILE 628 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 3hp6 h ARG 629 N 0.00 0.00 -6.57 9.51 3.08 -1.96 -3.43 114.38 115.01 3hp6 h ARG 629 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3hp6 h ARG 629 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.78 3hp6 h ARG 629 CO 0.00 0.50 -0.86 -0.51 -1.07 0.00 0.00 179.97 178.04 3hp6 s LEU 630 N -7.30 2.25 0.28 3.04 1.43 -1.26 -5.05 118.68 112.07 3hp6 s LEU 630 Ca -0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3hp6 s LEU 630 Cb 0.12 -1.39 0.38 0.00 0.03 0.00 0.00 46.19 45.33 3hp6 s LEU 630 CO 0.73 0.31 1.94 -0.08 0.23 0.00 0.00 176.35 179.48 3hp6 h GLU 631 N 5.28 1.13 -0.22 1.70 4.57 -1.99 -0.76 114.58 124.29 3hp6 h GLU 631 Ca -0.45 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3hp6 h GLU 631 Cb 1.13 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 3hp6 h GLU 631 CO 0.47 0.77 0.14 0.93 -1.18 0.00 0.00 179.01 180.14 3hp6 h GLU 632 N 1.16 0.30 -0.05 1.92 5.08 -1.96 -2.66 114.58 118.35 3hp6 h GLU 632 Ca 0.31 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 3hp6 h GLU 632 Cb -0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3hp6 h GLU 632 CO -0.06 0.23 -0.75 0.78 -1.00 0.00 0.00 179.01 178.21 3hp6 h GLY 633 N 0.28 0.36 1.52 -3.84 0.00 -1.88 -3.08 103.07 96.43 3hp6 h GLY 633 Ca 0.08 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.94 3hp6 h GLY 633 CO -0.02 0.47 0.18 -0.09 0.00 0.00 0.00 176.54 177.08 3hp6 h ARG 634 N 0.22 0.02 0.00 4.80 2.43 -0.87 -1.28 114.38 119.70 3hp6 h ARG 634 Ca -0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hp6 h ARG 634 Cb 1.32 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3hp6 h ARG 634 CO 0.12 0.01 -0.00 0.87 -1.51 0.00 0.00 179.97 179.47 3hp6 h LYS 635 N 0.02 0.00 -0.90 0.20 1.57 -1.38 -1.46 116.57 114.62 3hp6 h LYS 635 Ca 0.12 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.11 3hp6 h LYS 635 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3hp6 h LYS 635 CO -0.00 0.00 0.60 0.82 -0.57 0.00 0.00 179.45 180.30 3hp6 h ILE 636 N 0.00 0.66 0.00 1.86 1.08 -1.42 -1.26 117.51 118.43 3hp6 h ILE 636 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3hp6 h ILE 636 Cb 0.01 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 3hp6 h ILE 636 CO 0.00 0.06 0.00 0.03 -0.69 0.00 0.00 178.15 177.55 3hp6 h ARG 637 N 0.35 0.00 0.00 2.37 3.08 -1.47 -1.26 114.38 117.45 3hp6 h ARG 637 Ca 0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 3hp6 h ARG 637 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hp6 h ARG 637 CO -0.16 0.00 -0.11 1.96 -1.07 0.00 0.00 179.97 180.59 3hp6 h GLN 638 N 0.00 0.00 -0.01 0.04 4.20 -1.41 -2.21 115.11 115.72 3hp6 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hp6 h GLN 638 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3hp6 h GLN 638 CO 0.00 0.11 -0.07 0.00 -0.67 0.00 0.00 178.83 178.20 3hp6 n ALA 639 N -2.20 2.72 -2.56 3.87 0.00 -0.48 -4.73 120.51 117.13 3hp6 n ALA 639 Ca -0.01 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 3hp6 n ALA 639 Cb 0.29 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 3hp6 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hp6 s PHE 640 N -2.26 3.22 0.22 0.00 0.08 -0.99 -0.41 117.98 117.84 3hp6 s PHE 640 Ca 0.35 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.43 3hp6 s PHE 640 Cb 0.21 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 3hp6 s PHE 640 CO 0.42 -0.28 -0.05 0.14 -0.10 0.00 0.00 175.22 175.35 3hp6 s VAL 641 N 1.79 1.25 0.60 -0.44 -7.23 -0.41 -1.52 120.40 114.45 3hp6 s VAL 641 Ca 0.08 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 3hp6 s VAL 641 Cb -0.17 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 3hp6 s VAL 641 CO 0.11 -0.46 1.21 -2.84 -0.31 0.00 0.00 175.10 172.82 3hp6 s PRO 642 N -3.79 2.90 0.08 4.82 0.02 -1.26 -3.75 135.00 134.02 3hp6 s PRO 642 Ca 0.25 1.84 0.26 0.00 0.02 0.00 0.00 61.00 63.36 3hp6 s PRO 642 Cb 0.04 -1.92 1.00 0.00 0.02 0.00 0.00 34.50 33.64 3hp6 s PRO 642 CO 0.07 -1.27 1.80 -1.13 -0.33 0.00 0.00 177.00 176.14 3hp6 n SER 643 N -1.68 0.28 -4.19 2.53 3.41 -1.26 -4.75 113.62 107.97 3hp6 n SER 643 Ca 0.14 0.54 -0.17 0.00 -0.26 0.00 0.00 58.87 59.12 3hp6 n SER 643 Cb 0.50 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 3hp6 n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hp6 s GLU 644 N -3.06 0.87 0.42 4.33 0.41 -1.26 -5.04 118.70 115.37 3hp6 s GLU 644 Ca 0.11 -1.09 0.08 0.00 -0.41 0.00 0.00 54.97 53.66 3hp6 s GLU 644 Cb 0.15 -0.73 0.90 0.00 -1.78 0.00 0.00 34.13 32.68 3hp6 s GLU 644 CO 0.50 0.14 2.07 0.66 -0.49 0.00 0.00 175.26 178.14 3hp6 h SER 645 N 3.86 0.42 -0.44 -0.19 4.64 -2.03 -2.40 113.55 117.40 3hp6 h SER 645 Ca -0.39 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 3hp6 h SER 645 Cb 1.19 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 63.08 3hp6 h SER 645 CO 0.47 0.30 0.07 -0.90 -0.87 0.00 0.00 176.83 175.90 3hp6 n ASP 646 N -4.48 3.33 -4.82 4.97 5.75 -1.26 -4.94 116.55 115.10 3hp6 n ASP 646 Ca 0.02 -3.46 -0.22 0.00 -0.01 0.00 0.00 54.79 51.12 3hp6 n ASP 646 Cb 0.06 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.46 3hp6 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3hp6 s TRP 647 N -3.10 2.69 0.05 2.11 0.52 -0.91 -1.17 118.94 119.14 3hp6 s TRP 647 Ca 0.47 -0.50 -0.00 0.00 0.02 0.00 0.00 56.10 56.09 3hp6 s TRP 647 Cb 0.40 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 3hp6 s TRP 647 CO 0.05 0.04 -0.04 -0.51 0.02 0.00 0.00 176.95 176.52 3hp6 s LEU 648 N -4.02 2.45 -0.05 2.99 1.43 -0.22 -4.77 118.68 116.48 3hp6 s LEU 648 Ca 0.44 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 3hp6 s LEU 648 Cb -0.01 0.14 -0.05 0.00 0.03 0.00 0.00 46.19 46.30 3hp6 s LEU 648 CO 0.26 -0.52 0.48 -0.63 0.23 0.00 0.00 176.35 176.17 3hp6 s ILE 649 N -3.42 5.06 -0.11 -0.59 -1.09 -0.17 -1.79 121.20 119.08 3hp6 s ILE 649 Ca 0.04 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 59.47 3hp6 s ILE 649 Cb 0.04 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3hp6 s ILE 649 CO -0.08 0.43 -0.20 0.12 -1.23 0.00 0.00 174.94 173.99 3hp6 s PHE 650 N -0.13 2.34 -0.06 3.97 5.36 0.04 -1.02 117.98 128.49 3hp6 s PHE 650 Ca 0.26 -1.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.21 3hp6 s PHE 650 Cb -0.16 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 3hp6 s PHE 650 CO 0.13 -0.48 -0.17 0.00 -1.46 0.00 0.00 175.22 173.24 3hp6 s ALA 651 N 0.67 1.59 -0.04 11.12 0.00 0.01 -0.32 121.76 134.79 3hp6 s ALA 651 Ca -0.12 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3hp6 s ALA 651 Cb -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3hp6 s ALA 651 CO 0.03 0.25 -0.11 0.00 0.00 0.00 0.00 175.76 175.92 3hp6 s ALA 652 N 0.23 1.10 0.02 0.00 0.00 -0.16 -1.41 121.76 121.53 3hp6 s ALA 652 Ca -0.09 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3hp6 s ALA 652 Cb -0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3hp6 s ALA 652 CO 0.04 0.16 -0.07 0.16 0.00 0.00 0.00 175.76 176.05 3hp6 s ASP 653 N 0.30 0.77 -0.07 0.00 -4.77 0.11 -0.83 116.67 112.18 3hp6 s ASP 653 Ca -0.06 -0.32 -0.30 0.00 -3.30 0.00 0.00 52.55 48.57 3hp6 s ASP 653 Cb -0.11 -0.02 -0.02 0.00 -1.09 0.00 0.00 42.92 41.67 3hp6 s ASP 653 CO 0.02 -0.06 1.07 -0.31 0.70 0.00 0.00 175.17 176.59 3hp6 s TYR 654 N -0.74 3.43 -0.22 2.11 1.51 0.03 -0.86 117.35 122.61 3hp6 s TYR 654 Ca -0.04 1.48 -0.27 0.00 -1.01 0.00 0.00 57.07 57.23 3hp6 s TYR 654 Cb -0.06 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 3hp6 s TYR 654 CO 0.00 -0.59 0.95 0.45 -1.11 0.00 0.00 175.55 175.26 3hp6 s SER 655 N 1.20 7.02 -1.42 2.29 0.15 0.69 -4.16 113.70 119.46 3hp6 s SER 655 Ca 0.52 1.27 -0.09 0.00 0.70 0.00 0.00 55.95 58.35 3hp6 s SER 655 Cb -0.21 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 3hp6 s SER 655 CO 0.21 -0.58 1.03 0.00 1.20 0.00 0.00 173.24 175.10 3hp6 n GLN 656 N 6.02 -7.00 -0.25 5.44 6.02 -1.26 -4.61 117.38 121.72 3hp6 n GLN 656 Ca 0.09 0.82 -0.06 0.00 -0.01 0.00 0.00 57.00 57.85 3hp6 n GLN 656 Cb 0.47 -5.82 0.05 0.00 1.02 0.00 0.00 30.24 25.96 3hp6 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3hp6 h ILE 657 N -2.33 1.21 -0.92 5.09 2.10 -1.94 -1.98 117.51 118.74 3hp6 h ILE 657 Ca -0.56 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 64.86 3hp6 h ILE 657 Cb 1.37 0.28 -0.05 0.00 -1.09 0.00 0.00 36.82 37.33 3hp6 h ILE 657 CO 0.57 0.23 0.58 -0.33 -1.08 0.00 0.00 178.15 178.13 3hp6 h GLU 658 N 0.97 1.23 -0.02 2.19 5.08 -1.90 0.92 114.58 123.04 3hp6 h GLU 658 Ca 0.25 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 3hp6 h GLU 658 Cb 0.02 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3hp6 h GLU 658 CO -0.04 0.84 -0.55 -0.07 -1.00 0.00 0.00 179.01 178.19 3hp6 h LEU 659 N 1.26 0.07 -0.33 1.33 3.38 -1.82 0.85 115.31 120.05 3hp6 h LEU 659 Ca 0.33 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3hp6 h LEU 659 Cb -0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hp6 h LEU 659 CO -0.07 0.61 -0.19 0.03 0.09 0.00 0.00 178.44 178.91 3hp6 h ARG 660 N 0.05 0.72 -0.68 1.13 3.08 -0.84 -0.37 114.38 117.47 3hp6 h ARG 660 Ca -0.00 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.73 3hp6 h ARG 660 Cb 0.99 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 3hp6 h ARG 660 CO 0.08 0.93 0.45 0.28 -1.07 0.00 0.00 179.97 180.63 3hp6 h VAL 661 N 0.49 1.16 -0.72 2.04 2.07 -0.59 -1.83 116.25 118.87 3hp6 h VAL 661 Ca 0.07 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hp6 h VAL 661 Cb 0.73 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3hp6 h VAL 661 CO 0.05 0.16 0.47 0.25 0.02 0.00 0.00 177.57 178.53 3hp6 h LEU 662 N 0.90 0.83 -0.80 2.57 5.85 -0.59 0.76 115.31 124.84 3hp6 h LEU 662 Ca 0.25 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3hp6 h LEU 662 Cb -0.08 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3hp6 h LEU 662 CO -0.06 0.60 0.51 0.00 -0.34 0.00 0.00 178.44 179.15 3hp6 h ALA 663 N 1.26 1.05 0.01 1.25 0.00 -0.68 0.22 119.26 122.36 3hp6 h ALA 663 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hp6 h ALA 663 Cb -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hp6 h ALA 663 CO -0.06 0.32 -0.00 1.25 0.00 0.00 0.00 179.25 180.76 3hp6 h HIS 664 N 0.98 -0.01 -0.19 0.00 -0.00 -0.71 -0.71 115.15 114.51 3hp6 h HIS 664 Ca 0.32 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.56 3hp6 h HIS 664 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 3hp6 h HIS 664 CO -0.03 0.30 -0.41 0.82 -0.00 0.00 0.00 177.93 178.61 3hp6 h ILE 665 N -0.33 1.33 0.00 6.26 2.04 -0.55 -3.07 117.51 123.20 3hp6 h ILE 665 Ca -0.00 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.16 3hp6 h ILE 665 Cb 0.32 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3hp6 h ILE 665 CO 0.00 0.51 -0.25 0.00 0.00 0.00 0.00 178.15 178.41 3hp6 h ALA 666 N 0.59 0.94 -6.67 1.87 0.00 -0.66 -3.47 119.26 111.86 3hp6 h ALA 666 Ca 0.00 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 3hp6 h ALA 666 Cb 1.01 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 3hp6 h ALA 666 CO 0.09 0.31 -0.86 0.39 0.00 0.00 0.00 179.25 179.18 3hp6 n GLU 667 N -3.31 -3.13 -2.60 0.00 1.02 -0.28 -4.82 120.64 107.52 3hp6 n GLU 667 Ca 0.01 0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 57.10 3hp6 n GLU 667 Cb 0.50 -4.82 -0.03 0.00 -0.02 0.00 0.00 31.44 27.07 3hp6 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hp6 s ASP 668 N -3.74 7.17 0.14 1.62 -1.08 -1.24 -4.94 116.67 114.60 3hp6 s ASP 668 Ca 0.44 1.62 -0.16 0.00 -0.52 0.00 0.00 52.55 53.93 3hp6 s ASP 668 Cb -0.24 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3hp6 s ASP 668 CO 0.92 -0.51 1.74 0.44 0.52 0.00 0.00 175.17 178.28 3hp6 h ASP 669 N 7.26 0.49 -0.37 -0.34 3.32 -1.93 -1.34 116.42 123.51 3hp6 h ASP 669 Ca -0.31 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 3hp6 h ASP 669 Cb 1.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3hp6 h ASP 669 CO 0.87 0.45 0.08 0.78 -1.72 0.00 0.00 179.24 179.70 3hp6 h ASN 670 N 0.50 0.58 -0.60 6.45 2.35 -1.92 -0.97 115.58 121.97 3hp6 h ASN 670 Ca 0.14 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3hp6 h ASN 670 Cb 0.07 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3hp6 h ASN 670 CO -0.02 0.68 0.35 0.25 -1.65 0.00 0.00 177.43 177.03 3hp6 h LEU 671 N 0.46 0.73 -0.61 1.61 5.85 -1.84 -0.37 115.31 121.14 3hp6 h LEU 671 Ca 0.12 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3hp6 h LEU 671 Cb 0.33 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3hp6 h LEU 671 CO 0.00 0.59 0.14 0.24 -0.34 0.00 0.00 178.44 179.07 3hp6 h MET 672 N 0.81 0.98 -0.62 1.25 2.86 -1.11 -1.96 114.93 117.14 3hp6 h MET 672 Ca 0.21 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3hp6 h MET 672 Cb 0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3hp6 h MET 672 CO -0.04 0.90 0.39 1.49 1.06 0.00 0.00 176.91 180.71 3hp6 h GLU 673 N 0.89 0.83 -0.41 1.72 4.57 -0.95 0.72 114.58 121.95 3hp6 h GLU 673 Ca 0.19 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 3hp6 h GLU 673 Cb 0.37 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 3hp6 h GLU 673 CO 0.00 0.58 0.16 0.00 -1.18 0.00 0.00 179.01 178.57 3hp6 h ALA 674 N 1.21 0.49 0.00 2.92 0.00 -0.81 0.01 119.26 123.08 3hp6 h ALA 674 Ca 0.22 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hp6 h ALA 674 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hp6 h ALA 674 CO -0.04 -0.23 -0.45 0.74 0.00 0.00 0.00 179.25 179.27 3hp6 h PHE 675 N 0.33 0.00 0.00 0.00 0.05 -1.08 -1.11 116.94 115.13 3hp6 h PHE 675 Ca 0.19 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.91 3hp6 h PHE 675 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 3hp6 h PHE 675 CO -0.14 0.45 -0.32 0.00 -0.18 0.00 0.00 178.31 178.12 3hp6 h ARG 676 N 0.00 0.00 -0.01 1.51 3.08 -0.26 -1.34 114.38 117.37 3hp6 h ARG 676 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hp6 h ARG 676 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hp6 h ARG 676 CO 0.06 0.32 -0.06 0.54 -1.07 0.00 0.00 179.97 179.76 3hp6 n ARG 677 N -3.82 0.99 -3.98 0.04 1.74 -0.06 -4.94 116.66 106.64 3hp6 n ARG 677 Ca -0.01 -0.34 -0.29 0.00 -0.77 0.00 0.00 57.85 56.44 3hp6 n ARG 677 Cb 0.40 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3hp6 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hp6 n ASP 678 N -0.71 -2.30 -4.77 0.55 2.03 -0.50 -4.97 116.55 105.88 3hp6 n ASP 678 Ca 0.18 -0.92 -0.35 0.00 0.52 0.00 0.00 54.79 54.21 3hp6 n ASP 678 Cb 0.25 -3.33 0.00 0.00 -0.72 0.00 0.00 41.12 37.32 3hp6 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hp6 s LEU 679 N -7.08 3.78 -0.37 -2.67 1.43 -0.45 -4.98 118.68 108.35 3hp6 s LEU 679 Ca 0.35 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 55.36 3hp6 s LEU 679 Cb -0.19 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.49 3hp6 s LEU 679 CO 0.87 -1.18 1.61 -0.62 0.23 0.00 0.00 176.35 177.27 3hp6 s ASP 680 N -1.72 6.11 0.49 2.29 -1.08 -1.26 -4.82 116.67 116.68 3hp6 s ASP 680 Ca 0.72 1.09 0.27 0.00 -0.52 0.00 0.00 52.55 54.10 3hp6 s ASP 680 Cb -0.24 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 39.88 3hp6 s ASP 680 CO 0.28 -1.57 1.94 -0.29 0.52 0.00 0.00 175.17 176.05 3hp6 h ILE 681 N 6.64 0.49 -0.07 4.11 6.09 -1.94 -0.33 117.51 132.49 3hp6 h ILE 681 Ca -0.31 -0.83 -0.18 0.00 -1.37 0.00 0.00 64.86 62.17 3hp6 h ILE 681 Cb 1.14 1.57 0.01 0.00 0.47 0.00 0.00 36.82 40.01 3hp6 h ILE 681 CO 1.06 0.16 -0.67 0.45 -3.07 0.00 0.00 178.15 176.07 3hp6 h HIS 682 N 0.00 0.81 -0.49 2.19 3.86 -1.92 -1.04 115.15 118.57 3hp6 h HIS 682 Ca -0.00 -0.39 -0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3hp6 h HIS 682 Cb 0.56 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3hp6 h HIS 682 CO 0.00 1.20 0.29 1.15 0.86 0.00 0.00 177.93 181.43 3hp6 h THR 683 N 0.19 1.15 -0.23 2.45 2.02 -1.79 -1.64 112.91 115.06 3hp6 h THR 683 Ca -0.07 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.81 3hp6 h THR 683 Cb 1.34 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3hp6 h THR 683 CO 0.14 0.16 -0.05 0.50 0.37 0.00 0.00 175.52 176.64 3hp6 h LYS 684 N 0.65 0.01 -0.81 6.66 3.11 -1.04 -1.57 116.57 123.59 3hp6 h LYS 684 Ca 0.18 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 3hp6 h LYS 684 Cb -0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 3hp6 h LYS 684 CO -0.03 0.01 0.44 1.15 -2.81 0.00 0.00 179.45 178.21 3hp6 h THR 685 N 0.01 1.24 -0.77 1.00 2.02 -1.11 -2.55 112.91 112.75 3hp6 h THR 685 Ca 0.11 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.74 3hp6 h THR 685 Cb 0.17 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 3hp6 h THR 685 CO -0.23 0.27 0.47 0.00 0.37 0.00 0.00 175.52 176.40 3hp6 h ALA 686 N 1.23 1.03 -0.74 6.16 0.00 -0.88 0.06 119.26 126.12 3hp6 h ALA 686 Ca 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hp6 h ALA 686 Cb 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hp6 h ALA 686 CO -0.05 0.22 0.48 0.52 0.00 0.00 0.00 179.25 180.43 3hp6 h MET 687 N 0.88 0.94 -0.13 0.00 2.07 -0.97 -1.60 114.93 116.13 3hp6 h MET 687 Ca 0.33 -0.06 -0.22 0.00 -2.07 0.00 0.00 59.70 57.69 3hp6 h MET 687 Cb 0.11 -0.21 0.01 0.00 -1.87 0.00 0.00 31.60 29.64 3hp6 h MET 687 CO -0.15 0.62 -0.76 -0.44 1.07 0.00 0.00 176.91 177.25 3hp6 h ASP 688 N 0.96 0.89 0.71 1.22 3.32 -0.88 0.27 116.42 122.92 3hp6 h ASP 688 Ca 0.29 -0.64 -0.26 0.00 0.02 0.00 0.00 57.03 56.43 3hp6 h ASP 688 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3hp6 h ASP 688 CO -0.08 1.39 -1.24 0.16 -1.72 0.00 0.00 179.24 177.75 3hp6 h ILE 689 N 0.45 1.47 0.00 0.35 3.07 -1.00 -3.25 117.51 118.61 3hp6 h ILE 689 Ca -0.06 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 63.23 3hp6 h ILE 689 Cb 1.40 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 40.80 3hp6 h ILE 689 CO 0.16 0.89 -0.50 0.49 -1.05 0.00 0.00 178.15 178.13 3hp6 n PHE 690 N -3.43 0.04 -3.76 0.16 3.72 -0.61 -4.79 117.46 108.80 3hp6 n PHE 690 Ca -0.08 0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 57.02 3hp6 n PHE 690 Cb 1.00 -0.29 0.03 0.00 -0.94 0.00 0.00 39.48 39.28 3hp6 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hp6 n GLN 691 N -1.55 -1.45 -4.36 -1.08 6.02 0.05 -5.02 117.38 109.99 3hp6 n GLN 691 Ca 0.05 0.41 -0.18 0.00 -0.01 0.00 0.00 57.00 57.27 3hp6 n GLN 691 Cb 0.34 -4.03 -0.10 0.00 1.02 0.00 0.00 30.24 27.47 3hp6 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hp6 s VAL 692 N -3.54 1.09 0.89 5.09 -7.23 -0.98 -5.05 120.40 110.67 3hp6 s VAL 692 Ca 0.41 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 3hp6 s VAL 692 Cb -0.16 -2.44 0.13 0.00 0.56 0.00 0.00 36.38 34.47 3hp6 s VAL 692 CO 0.88 -0.25 1.15 -0.94 -0.31 0.00 0.00 175.10 175.62 3hp6 s SER 693 N -3.35 3.69 0.26 4.85 1.04 -1.26 -4.60 113.70 114.33 3hp6 s SER 693 Ca 0.30 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 3hp6 s SER 693 Cb 0.06 -1.49 0.33 0.00 0.10 0.00 0.00 66.02 65.02 3hp6 s SER 693 CO 0.10 -2.43 1.84 -0.08 0.98 0.00 0.00 173.24 173.65 3hp6 h GLU 694 N -1.42 1.00 0.00 4.02 4.81 -1.98 -2.40 114.58 118.62 3hp6 h GLU 694 Ca -0.50 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 3hp6 h GLU 694 Cb 1.33 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3hp6 h GLU 694 CO 0.63 0.82 0.00 -0.40 -0.73 0.00 0.00 179.01 179.33 3hp6 n ASP 695 N -4.30 0.58 -0.69 1.04 5.68 -1.26 -2.46 116.55 115.14 3hp6 n ASP 695 Ca 0.06 0.66 0.13 0.00 -0.50 0.00 0.00 54.79 55.14 3hp6 n ASP 695 Cb 0.18 -0.78 0.35 0.00 -1.14 0.00 0.00 41.12 39.73 3hp6 n ASP 695 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hp6 n GLU 696 N -2.16 1.95 -2.86 0.11 1.02 -0.90 -4.86 120.64 112.94 3hp6 n GLU 696 Ca 0.02 -1.39 -0.43 0.00 -0.02 0.00 0.00 57.16 55.34 3hp6 n GLU 696 Cb 0.20 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 3hp6 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hp6 s VAL 697 N -1.93 4.58 0.53 2.62 1.01 -1.03 -4.97 120.40 121.21 3hp6 s VAL 697 Ca 0.34 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 3hp6 s VAL 697 Cb 0.20 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3hp6 s VAL 697 CO 0.31 -0.65 0.99 0.42 0.00 0.00 0.00 175.10 176.18 3hp6 s THR 698 N 3.48 4.49 0.57 3.92 -4.23 -1.26 -4.89 115.64 117.72 3hp6 s THR 698 Ca 0.35 1.17 0.28 0.00 -1.18 0.00 0.00 61.69 62.31 3hp6 s THR 698 Cb -0.12 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.41 3hp6 s THR 698 CO 0.22 -0.71 1.97 -0.65 -0.54 0.00 0.00 174.62 174.91 3hp6 h PRO 699 N 0.79 0.00 -0.17 3.99 0.11 -1.99 0.24 132.00 134.97 3hp6 h PRO 699 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3hp6 h PRO 699 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hp6 h PRO 699 CO 0.61 0.00 -0.46 -0.97 -0.21 0.00 0.00 178.00 176.97 3hp6 h ASN 700 N 0.00 0.70 -0.39 -2.05 -1.24 -1.99 -2.30 115.58 108.30 3hp6 h ASN 700 Ca 0.21 -0.58 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 3hp6 h ASN 700 Cb 1.01 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 3hp6 h ASN 700 CO -0.00 1.16 0.18 0.24 -1.29 0.00 0.00 177.43 177.71 3hp6 h MET 701 N 0.27 0.62 -0.59 6.67 2.86 -1.39 -1.02 114.93 122.35 3hp6 h MET 701 Ca -0.01 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3hp6 h MET 701 Cb 1.08 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3hp6 h MET 701 CO 0.10 0.52 -0.00 -0.09 1.06 0.00 0.00 176.91 178.49 3hp6 h ARG 702 N 0.62 1.05 -0.58 1.72 2.43 -1.10 -0.67 114.38 117.84 3hp6 h ARG 702 Ca 0.15 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 3hp6 h ARG 702 Cb 0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hp6 h ARG 702 CO -0.02 1.03 -0.02 0.00 -1.51 0.00 0.00 179.97 179.46 3hp6 h ARG 703 N 0.95 1.03 -0.39 0.20 3.08 -0.92 0.26 114.38 118.59 3hp6 h ARG 703 Ca 0.17 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3hp6 h ARG 703 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hp6 h ARG 703 CO 0.03 1.02 0.04 1.96 -1.07 0.00 0.00 179.97 181.95 3hp6 h GLN 704 N 0.94 0.67 -0.21 0.04 4.20 -1.13 -1.85 115.11 117.77 3hp6 h GLN 704 Ca 0.17 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3hp6 h GLN 704 Cb 0.56 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3hp6 h GLN 704 CO 0.03 0.73 -0.26 0.00 -0.67 0.00 0.00 178.83 178.66 3hp6 h ALA 705 N 0.91 1.16 -0.66 3.87 0.00 -0.99 -0.81 119.26 122.73 3hp6 h ALA 705 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3hp6 h ALA 705 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hp6 h ALA 705 CO 0.01 0.54 0.18 -0.22 0.00 0.00 0.00 179.25 179.75 3hp6 h LYS 706 N 0.35 1.04 -0.62 0.00 3.64 -0.30 0.28 116.57 120.96 3hp6 h LYS 706 Ca 0.05 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 3hp6 h LYS 706 Cb 0.65 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3hp6 h LYS 706 CO 0.05 0.91 0.10 0.00 -2.27 0.00 0.00 179.45 178.24 3hp6 h ALA 707 N 1.19 1.02 -0.15 5.00 0.00 -0.78 -0.59 119.26 124.95 3hp6 h ALA 707 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hp6 h ALA 707 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hp6 h ALA 707 CO -0.00 0.63 0.05 0.28 0.00 0.00 0.00 179.25 180.20 3hp6 h VAL 708 N 0.94 1.18 -0.83 0.00 2.07 -0.87 -1.62 116.25 117.13 3hp6 h VAL 708 Ca 0.19 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3hp6 h VAL 708 Cb 0.40 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3hp6 h VAL 708 CO 0.01 0.17 0.55 0.78 0.02 0.00 0.00 177.57 179.09 3hp6 h ASN 709 N 0.07 0.93 -0.28 0.57 2.35 -0.01 -1.11 115.58 118.09 3hp6 h ASN 709 Ca 0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hp6 h ASN 709 Cb 0.22 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hp6 h ASN 709 CO -0.00 0.66 0.00 -1.22 -1.65 0.00 0.00 177.43 175.22 3hp6 n TYR 710 N -4.53 0.37 -0.07 1.19 4.01 -0.27 -4.30 117.16 113.55 3hp6 n TYR 710 Ca 0.09 -0.18 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 3hp6 n TYR 710 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 3hp6 n TYR 710 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hp6 n GLY 711 N 1.24 -0.22 0.14 2.72 0.00 -0.61 -4.69 105.19 103.77 3hp6 n GLY 711 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3hp6 n GLY 711 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hp6 h ILE 712 N -0.15 1.21 0.00 -0.61 2.04 -1.41 -0.95 117.51 117.63 3hp6 h ILE 712 Ca -0.35 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3hp6 h ILE 712 Cb 1.47 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3hp6 h ILE 712 CO -0.10 0.21 -0.19 1.62 0.00 0.00 0.00 178.15 179.69 3hp6 h VAL 713 N 0.20 0.89 -0.57 1.67 3.04 -1.82 -1.32 116.25 118.35 3hp6 h VAL 713 Ca 0.07 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3hp6 h VAL 713 Cb 0.27 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3hp6 h VAL 713 CO 0.00 0.19 0.00 -1.22 -1.01 0.00 0.00 177.57 175.53 3hp6 n TYR 714 N -3.96 0.90 -0.34 3.17 4.01 -0.92 -4.75 117.16 115.27 3hp6 n TYR 714 Ca -0.02 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3hp6 n TYR 714 Cb 0.27 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3hp6 n TYR 714 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hp6 n GLY 715 N 1.31 0.95 3.76 2.72 0.00 -0.50 -4.82 105.19 108.61 3hp6 n GLY 715 Ca 0.20 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3hp6 n GLY 715 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hp6 s ILE 716 N -2.00 2.33 0.44 -0.61 2.07 -0.41 -5.01 121.20 118.00 3hp6 s ILE 716 Ca 0.00 0.25 0.08 0.00 -1.41 0.00 0.00 60.65 59.57 3hp6 s ILE 716 Cb 0.00 -3.13 0.02 0.00 0.13 0.00 0.00 42.46 39.48 3hp6 s ILE 716 CO 0.00 -0.00 0.59 -0.94 -1.91 0.00 0.00 174.94 172.68 3hp6 s SER 717 N -1.02 5.57 0.37 4.50 1.04 -1.26 -4.82 113.70 118.08 3hp6 s SER 717 Ca 0.69 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.69 3hp6 s SER 717 Cb -0.38 -0.55 0.72 0.00 0.10 0.00 0.00 66.02 65.91 3hp6 s SER 717 CO 0.45 -0.82 1.96 -2.24 0.98 0.00 0.00 173.24 173.57 3hp6 h ASP 718 N 0.61 0.49 0.27 7.02 2.03 -1.93 -1.49 116.42 123.41 3hp6 h ASP 718 Ca -0.39 -0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 55.84 3hp6 h ASP 718 Cb 1.28 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3hp6 h ASP 718 CO 0.45 0.46 -0.13 0.22 -1.03 0.00 0.00 179.24 179.21 3hp6 h TYR 719 N 0.53 -0.34 -0.92 4.15 3.20 -1.95 -1.00 116.97 120.64 3hp6 h TYR 719 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3hp6 h TYR 719 Cb 0.15 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3hp6 h TYR 719 CO 0.01 -0.13 0.59 0.78 -1.64 0.00 0.00 178.16 177.76 3hp6 h GLY 720 N -0.47 1.32 0.88 1.82 0.00 -1.89 0.75 103.07 105.48 3hp6 h GLY 720 Ca -0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3hp6 h GLY 720 CO 0.06 0.50 -0.02 -2.00 0.00 0.00 0.00 176.54 175.08 3hp6 h LEU 721 N 1.26 0.53 -0.36 3.11 5.85 -1.24 -0.38 115.31 124.08 3hp6 h LEU 721 Ca 0.34 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3hp6 h LEU 721 Cb -0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3hp6 h LEU 721 CO -0.07 0.73 0.04 0.00 -0.34 0.00 0.00 178.44 178.80 3hp6 h ALA 722 N 0.82 0.36 -0.11 1.25 0.00 -0.77 -2.23 119.26 118.56 3hp6 h ALA 722 Ca 0.08 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hp6 h ALA 722 Cb 0.47 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hp6 h ALA 722 CO 0.02 -0.36 -0.08 1.96 0.00 0.00 0.00 179.25 180.79 3hp6 h GLN 723 N 0.15 0.26 -0.62 0.00 1.08 -0.69 0.36 115.11 115.64 3hp6 h GLN 723 Ca 0.17 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3hp6 h GLN 723 Cb 0.22 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3hp6 h GLN 723 CO -0.25 0.63 0.34 -0.91 -0.95 0.00 0.00 178.83 177.68 3hp6 h ASN 724 N -0.12 0.78 0.93 1.46 2.35 -1.09 -3.03 115.58 116.85 3hp6 h ASN 724 Ca 0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hp6 h ASN 724 Cb 0.56 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3hp6 h ASN 724 CO 0.02 0.65 -0.47 0.18 -1.65 0.00 0.00 177.43 176.17 3hp6 n LEU 725 N -4.55 0.65 -3.31 1.61 4.77 -0.84 -4.97 117.00 110.35 3hp6 n LEU 725 Ca 0.04 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3hp6 n LEU 725 Cb 0.09 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3hp6 n LEU 725 CO 0.37 -0.05 0.07 -3.20 -1.33 0.00 0.00 177.39 173.25 3hp6 n ASN 726 N -2.02 -4.32 -4.04 -1.43 5.15 0.12 -5.04 115.26 103.68 3hp6 n ASN 726 Ca 0.04 -0.66 -0.20 0.00 -0.60 0.00 0.00 54.58 53.17 3hp6 n ASN 726 Cb 0.42 -5.11 -0.09 0.00 -0.53 0.00 0.00 39.78 34.47 3hp6 n ASN 726 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hp6 s ILE 727 N -3.37 0.44 0.30 -1.44 -4.36 -0.66 -5.05 121.20 107.07 3hp6 s ILE 727 Ca 0.23 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 3hp6 s ILE 727 Cb -0.03 -2.51 -0.12 0.00 1.25 0.00 0.00 42.46 41.05 3hp6 s ILE 727 CO 0.72 0.00 1.59 -0.24 0.24 0.00 0.00 174.94 177.26 3hp6 n SER 728 N -0.97 3.85 -0.12 4.36 2.88 -1.26 -4.60 113.62 117.75 3hp6 n SER 728 Ca -0.00 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 3hp6 n SER 728 Cb 0.65 -1.59 0.19 0.00 -0.75 0.00 0.00 64.21 62.70 3hp6 n SER 728 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3hp6 h ARG 729 N 4.71 0.80 -0.75 -1.46 2.43 -1.92 0.10 114.38 118.28 3hp6 h ARG 729 Ca -0.47 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3hp6 h ARG 729 Cb 1.23 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3hp6 h ARG 729 CO 0.79 0.76 0.47 -0.22 -1.51 0.00 0.00 179.97 180.25 3hp6 h LYS 730 N 0.77 1.01 -0.08 0.20 3.64 -1.93 -0.16 116.57 120.01 3hp6 h LYS 730 Ca 0.16 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hp6 h LYS 730 Cb 0.35 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hp6 h LYS 730 CO 0.01 0.70 -0.01 1.49 -2.27 0.00 0.00 179.45 179.37 3hp6 h GLU 731 N 1.03 0.16 -0.47 1.90 4.81 -1.84 -2.25 114.58 117.91 3hp6 h GLU 731 Ca 0.27 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 3hp6 h GLU 731 Cb -0.06 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3hp6 h GLU 731 CO -0.05 0.46 0.08 0.00 -0.73 0.00 0.00 179.01 178.76 3hp6 h ALA 732 N 0.69 0.51 -0.91 2.92 0.00 -0.92 -0.68 119.26 120.87 3hp6 h ALA 732 Ca 0.02 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3hp6 h ALA 732 Cb 0.39 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3hp6 h ALA 732 CO 0.01 -0.33 0.51 0.00 0.00 0.00 0.00 179.25 179.44 3hp6 h ALA 733 N 1.38 1.42 -0.41 0.00 0.00 -0.93 -1.66 119.26 119.06 3hp6 h ALA 733 Ca 0.24 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3hp6 h ALA 733 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hp6 h ALA 733 CO -0.32 -0.03 0.01 0.93 0.00 0.00 0.00 179.25 179.83 3hp6 h GLU 734 N 0.72 0.72 -0.73 0.00 5.08 -0.72 -2.37 114.58 117.27 3hp6 h GLU 734 Ca 0.50 -0.23 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 3hp6 h GLU 734 Cb 0.70 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.76 3hp6 h GLU 734 CO -0.35 0.80 0.07 0.74 -1.00 0.00 0.00 179.01 179.26 3hp6 h PHE 735 N 0.55 0.07 -0.12 4.33 -1.00 -0.27 -1.00 116.94 119.51 3hp6 h PHE 735 Ca 0.12 0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 3hp6 h PHE 735 Cb 0.47 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 3hp6 h PHE 735 CO 0.04 -0.18 -0.10 0.82 -1.61 0.00 0.00 178.31 177.27 3hp6 h ILE 736 N 0.16 1.35 -0.34 -0.55 2.04 -1.19 -0.71 117.51 118.27 3hp6 h ILE 736 Ca 0.41 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3hp6 h ILE 736 Cb 0.71 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 3hp6 h ILE 736 CO -0.60 0.35 0.03 -0.08 0.00 0.00 0.00 178.15 177.86 3hp6 h GLU 737 N -0.11 0.14 -0.50 2.37 4.81 -1.05 -1.96 114.58 118.28 3hp6 h GLU 737 Ca 0.02 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3hp6 h GLU 737 Cb 0.61 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3hp6 h GLU 737 CO 0.03 0.09 -0.05 0.00 -0.73 0.00 0.00 179.01 178.35 3hp6 h ARG 738 N 0.14 0.87 -0.22 1.92 3.08 -1.15 -2.17 114.38 116.85 3hp6 h ARG 738 Ca 0.16 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3hp6 h ARG 738 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hp6 h ARG 738 CO -0.25 0.90 0.12 -0.92 -1.07 0.00 0.00 179.97 178.75 3hp6 h TYR 739 N 0.80 0.31 0.00 3.04 3.20 -0.72 -1.60 116.97 122.00 3hp6 h TYR 739 Ca 0.14 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3hp6 h TYR 739 Cb 0.54 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3hp6 h TYR 739 CO 0.03 0.28 -0.35 0.74 -1.64 0.00 0.00 178.16 177.22 3hp6 h PHE 740 N 0.25 0.00 -0.69 -3.82 0.04 -1.25 0.36 116.94 111.83 3hp6 h PHE 740 Ca 0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 3hp6 h PHE 740 Cb 0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3hp6 h PHE 740 CO -0.03 0.35 0.30 0.93 -0.60 0.00 0.00 178.31 179.25 3hp6 h GLU 741 N 0.00 1.01 -0.11 1.51 5.08 -1.09 -2.72 114.58 118.27 3hp6 h GLU 741 Ca -0.00 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 3hp6 h GLU 741 Cb 0.74 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hp6 h GLU 741 CO 0.05 0.83 -0.79 0.77 -1.00 0.00 0.00 179.01 178.86 3hp6 h SER 742 N 0.97 0.77 -2.16 1.42 0.02 -0.83 -3.38 113.55 110.35 3hp6 h SER 742 Ca 0.23 -0.52 -0.59 0.00 -0.84 0.00 0.00 61.79 60.07 3hp6 h SER 742 Cb 0.17 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 62.07 3hp6 h SER 742 CO -0.02 1.30 -0.70 0.49 -1.14 0.00 0.00 176.83 176.76 3hp6 n PHE 743 N -3.89 2.94 0.26 3.45 3.72 0.08 -4.72 117.46 119.30 3hp6 n PHE 743 Ca -0.07 -4.03 0.12 0.00 -0.05 0.00 0.00 57.45 53.42 3hp6 n PHE 743 Cb 0.75 -0.51 0.69 0.00 -0.94 0.00 0.00 39.48 39.47 3hp6 n PHE 743 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hp6 h PRO 744 N 3.99 0.00 -0.04 -1.08 0.13 -1.68 -1.78 132.00 131.54 3hp6 h PRO 744 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3hp6 h PRO 744 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3hp6 h PRO 744 CO 0.77 0.13 -0.29 0.78 -0.23 0.00 0.00 178.00 179.16 3hp6 h GLY 745 N 0.87 0.07 1.16 1.56 0.00 -1.90 -1.63 103.07 103.20 3hp6 h GLY 745 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 3hp6 h GLY 745 CO 0.02 0.05 -0.09 -2.08 0.00 0.00 0.00 176.54 174.43 3hp6 h VAL 746 N 0.06 1.27 -0.49 4.60 2.07 -1.64 -0.02 116.25 122.10 3hp6 h VAL 746 Ca 0.01 -1.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 3hp6 h VAL 746 Cb 0.55 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3hp6 h VAL 746 CO 0.04 0.44 -0.12 0.50 0.02 0.00 0.00 177.57 178.45 3hp6 h LYS 747 N 0.88 0.94 -0.52 1.57 3.64 -1.43 -1.77 116.57 119.87 3hp6 h LYS 747 Ca 0.14 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 3hp6 h LYS 747 Cb 0.64 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3hp6 h LYS 747 CO 0.04 1.02 -0.04 0.00 -2.27 0.00 0.00 179.45 178.21 3hp6 h ARG 748 N 0.79 0.91 -0.21 1.90 3.08 -1.10 -2.09 114.38 117.66 3hp6 h ARG 748 Ca 0.12 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3hp6 h ARG 748 Cb 0.67 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3hp6 h ARG 748 CO 0.05 0.93 0.08 -0.92 -1.07 0.00 0.00 179.97 179.04 3hp6 h TYR 749 N 0.84 0.15 -0.95 3.04 3.20 -0.83 0.12 116.97 122.53 3hp6 h TYR 749 Ca 0.15 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3hp6 h TYR 749 Cb 0.55 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 3hp6 h TYR 749 CO 0.03 0.08 0.60 0.52 -1.64 0.00 0.00 178.16 177.75 3hp6 h MET 750 N 0.19 1.03 -0.10 1.82 2.86 -0.93 0.45 114.93 120.25 3hp6 h MET 750 Ca 0.09 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3hp6 h MET 750 Cb 0.05 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3hp6 h MET 750 CO -0.08 0.68 -0.23 0.93 1.06 0.00 0.00 176.91 179.27 3hp6 h GLU 751 N 1.07 0.33 -0.57 1.72 5.08 -1.17 -3.20 114.58 117.83 3hp6 h GLU 751 Ca 0.43 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3hp6 h GLU 751 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3hp6 h GLU 751 CO -0.20 0.82 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.69 3hp6 h ASN 752 N -0.13 1.00 -0.06 1.42 2.35 -0.38 -2.47 115.58 117.31 3hp6 h ASN 752 Ca -0.00 -0.29 -0.13 0.00 -0.55 0.00 0.00 56.30 55.33 3hp6 h ASN 752 Cb 0.83 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3hp6 h ASN 752 CO 0.05 1.07 -0.38 -0.29 -1.65 0.00 0.00 177.43 176.23 3hp6 h ILE 753 N 0.92 1.29 -0.35 2.81 6.09 -1.02 -0.27 117.51 126.99 3hp6 h ILE 753 Ca 0.16 -1.53 -0.13 0.00 -1.37 0.00 0.00 64.86 61.99 3hp6 h ILE 753 Cb 0.58 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 3hp6 h ILE 753 CO 0.03 0.48 -0.28 0.58 -3.07 0.00 0.00 178.15 175.90 3hp6 h VAL 754 N 0.48 1.29 -0.73 2.19 2.07 -1.53 -0.54 116.25 119.47 3hp6 h VAL 754 Ca 0.05 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 3hp6 h VAL 754 Cb 0.87 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3hp6 h VAL 754 CO 0.08 0.47 0.24 1.56 0.02 0.00 0.00 177.57 179.93 3hp6 h GLN 755 N 0.58 1.12 -0.61 1.57 1.08 -1.17 -1.40 115.11 116.28 3hp6 h GLN 755 Ca 0.06 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 3hp6 h GLN 755 Cb 0.85 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3hp6 h GLN 755 CO 0.07 0.95 0.28 1.49 -0.95 0.00 0.00 178.83 180.67 3hp6 h GLU 756 N 1.07 0.90 -0.63 1.46 4.81 -0.92 -0.88 114.58 120.40 3hp6 h GLU 756 Ca 0.24 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3hp6 h GLU 756 Cb 0.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3hp6 h GLU 756 CO -0.01 0.74 0.13 0.00 -0.73 0.00 0.00 179.01 179.14 3hp6 h ALA 757 N 1.11 1.05 -0.53 2.92 0.00 -0.86 0.81 119.26 123.77 3hp6 h ALA 757 Ca 0.21 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3hp6 h ALA 757 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hp6 h ALA 757 CO -0.02 0.62 -0.07 0.87 0.00 0.00 0.00 179.25 180.65 3hp6 h LYS 758 N 0.95 0.96 0.09 0.00 1.57 -0.98 0.31 116.57 119.47 3hp6 h LYS 758 Ca 0.20 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3hp6 h LYS 758 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hp6 h LYS 758 CO 0.00 0.99 -0.04 0.37 -0.57 0.00 0.00 179.45 180.20 3hp6 h GLN 759 N 0.87 -0.12 0.00 3.15 -0.00 -0.53 -3.36 115.11 115.12 3hp6 h GLN 759 Ca 0.15 0.01 -0.22 0.00 -0.00 0.00 0.00 58.65 58.58 3hp6 h GLN 759 Cb 0.61 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 28.08 3hp6 h GLN 759 CO 0.04 0.31 -1.38 0.87 0.00 0.00 0.00 178.83 178.67 3hp6 h LYS 760 N -0.60 0.00 0.00 1.69 1.57 -0.92 -3.48 116.57 114.83 3hp6 h LYS 760 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hp6 h LYS 760 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hp6 h LYS 760 CO 0.02 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3hp6 n GLY 761 N 1.44 0.64 3.52 3.86 0.00 0.10 -5.04 105.19 109.70 3hp6 n GLY 761 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3hp6 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hp6 s TYR 762 N -2.37 -0.45 0.31 1.61 -0.85 -1.23 -1.36 117.35 113.00 3hp6 s TYR 762 Ca 0.00 0.19 0.10 0.00 -0.52 0.00 0.00 57.07 56.84 3hp6 s TYR 762 Cb 0.00 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 3hp6 s TYR 762 CO 0.00 -0.92 -0.09 0.14 -1.52 0.00 0.00 175.55 173.16 3hp6 s VAL 763 N -3.76 2.65 0.21 -3.49 -7.23 -0.62 -4.35 120.40 103.80 3hp6 s VAL 763 Ca 0.03 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3hp6 s VAL 763 Cb -0.02 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 3hp6 s VAL 763 CO -0.08 -0.30 -0.02 0.42 -0.31 0.00 0.00 175.10 174.80 3hp6 s THR 764 N -2.50 1.01 0.55 5.32 -4.23 -1.26 -1.81 115.64 112.72 3hp6 s THR 764 Ca 0.32 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 3hp6 s THR 764 Cb -0.02 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3hp6 s THR 764 CO 0.17 -0.43 0.40 0.42 -0.54 0.00 0.00 174.62 174.64 3hp6 s THR 765 N -3.44 1.60 0.37 3.99 -4.23 -0.39 -4.50 115.64 109.04 3hp6 s THR 765 Ca 0.25 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3hp6 s THR 765 Cb 0.05 -2.11 0.29 0.00 1.34 0.00 0.00 72.50 72.07 3hp6 s THR 765 CO 0.06 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.05 3hp6 h LEU 766 N 0.75 0.64 -3.21 4.79 3.38 -1.89 -0.65 115.31 119.12 3hp6 h LEU 766 Ca -0.37 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hp6 h LEU 766 Cb 1.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3hp6 h LEU 766 CO 0.57 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.71 3hp6 n LEU 767 N -4.47 4.89 0.00 1.67 4.77 -1.26 -4.94 117.00 117.65 3hp6 n LEU 767 Ca 0.09 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 3hp6 n LEU 767 Cb 0.20 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hp6 n LEU 767 CO 0.34 0.78 0.00 1.41 -1.33 0.00 0.00 177.39 178.59 3hp6 n HIS 768 N 1.00 0.00 -2.06 -1.77 8.25 -0.25 -4.69 115.22 115.69 3hp6 n HIS 768 Ca 0.26 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.36 3hp6 n HIS 768 Cb 0.94 -0.64 0.03 0.00 1.12 0.00 0.00 29.99 31.44 3hp6 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hp6 s ARG 769 N -2.56 3.09 0.13 -0.41 3.52 -1.26 -4.74 118.95 116.72 3hp6 s ARG 769 Ca 0.00 1.80 0.07 0.00 -0.13 0.00 0.00 55.73 57.47 3hp6 s ARG 769 Cb 0.00 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 3hp6 s ARG 769 CO 0.00 -1.11 -0.15 -0.98 -0.81 0.00 0.00 175.30 172.25 3hp6 s ARG 770 N -3.28 1.10 -0.10 5.12 1.70 -1.26 -1.26 118.95 120.97 3hp6 s ARG 770 Ca 0.76 -1.29 -0.02 0.00 -0.47 0.00 0.00 55.73 54.71 3hp6 s ARG 770 Cb -0.29 -1.04 0.03 0.00 -0.57 0.00 0.00 34.95 33.08 3hp6 s ARG 770 CO 0.32 0.21 0.01 0.50 -1.08 0.00 0.00 175.30 175.26 3hp6 s ARG 771 N -2.69 0.63 0.27 3.89 3.52 -0.75 -4.61 118.95 119.20 3hp6 s ARG 771 Ca 0.11 0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 3hp6 s ARG 771 Cb -0.05 -1.21 -0.09 0.00 -1.56 0.00 0.00 34.95 32.04 3hp6 s ARG 771 CO 0.04 -0.37 1.09 0.71 -0.81 0.00 0.00 175.30 175.96 3hp6 s TYR 772 N 1.95 3.61 -0.52 5.12 1.51 -1.26 -1.60 117.35 126.16 3hp6 s TYR 772 Ca 0.04 1.70 0.07 0.00 -1.01 0.00 0.00 57.07 57.87 3hp6 s TYR 772 Cb -0.13 -3.26 0.27 0.00 -0.11 0.00 0.00 41.96 38.73 3hp6 s TYR 772 CO -0.06 -0.49 0.69 1.28 -1.11 0.00 0.00 175.55 175.86 3hp6 n LEU 773 N 1.35 2.35 0.30 -1.29 4.77 -0.46 -4.94 117.00 119.08 3hp6 n LEU 773 Ca -0.01 -5.18 0.16 0.00 -0.03 0.00 0.00 56.01 50.96 3hp6 n LEU 773 Cb 0.45 -0.07 0.95 0.00 -2.33 0.00 0.00 43.42 42.42 3hp6 n LEU 773 CO 0.54 2.12 1.12 1.55 -1.33 0.00 0.00 177.39 181.39 3hp6 h PRO 774 N 3.85 0.00 0.00 3.23 0.13 -1.95 -1.71 132.00 135.55 3hp6 h PRO 774 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hp6 h PRO 774 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hp6 h PRO 774 CO 0.67 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3hp6 n ASP 775 N -3.65 0.33 0.16 1.44 10.43 -1.26 -2.99 116.55 120.99 3hp6 n ASP 775 Ca -0.03 0.60 0.13 0.00 2.57 0.00 0.00 54.79 58.06 3hp6 n ASP 775 Cb 0.10 -0.66 0.53 0.00 1.84 0.00 0.00 41.12 42.93 3hp6 n ASP 775 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3hp6 h ILE 776 N 0.00 0.00 -0.60 0.53 2.10 -1.59 -1.78 117.51 116.17 3hp6 h ILE 776 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3hp6 h ILE 776 Cb 0.23 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3hp6 h ILE 776 CO 0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 3hp6 n THR 777 N -2.40 1.84 -2.40 2.19 -2.24 -1.16 -4.94 114.28 105.18 3hp6 n THR 777 Ca 0.02 -1.24 -0.40 0.00 -2.27 0.00 0.00 64.05 60.15 3hp6 n THR 777 Cb 0.25 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 3hp6 n THR 777 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hp6 s SER 778 N -0.99 7.16 0.04 3.42 0.15 -0.67 -4.92 113.70 117.89 3hp6 s SER 778 Ca 0.49 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.76 3hp6 s SER 778 Cb 0.32 -2.63 1.10 0.00 -1.71 0.00 0.00 66.02 63.10 3hp6 s SER 778 CO 0.23 -0.23 1.85 0.54 1.20 0.00 0.00 173.24 176.83 3hp6 n ARG 779 N 1.17 0.05 -2.73 5.44 1.74 -1.26 -4.61 116.66 116.46 3hp6 n ARG 779 Ca -0.01 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3hp6 n ARG 779 Cb 0.44 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3hp6 n ARG 779 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hp6 s ASN 780 N -3.28 7.18 0.09 0.55 3.84 -1.26 -4.97 114.94 117.09 3hp6 s ASN 780 Ca 0.13 1.46 -0.22 0.00 0.21 0.00 0.00 52.86 54.43 3hp6 s ASN 780 Cb 0.17 -2.54 -0.12 0.00 -0.55 0.00 0.00 41.25 38.21 3hp6 s ASN 780 CO 0.51 -0.45 1.70 0.15 -2.79 0.00 0.00 177.10 176.22 3hp6 h PHE 781 N 7.15 0.12 -0.17 0.43 3.57 -1.99 -0.71 116.94 125.35 3hp6 h PHE 781 Ca -0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 3hp6 h PHE 781 Cb 1.14 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3hp6 h PHE 781 CO 0.71 0.14 0.06 -0.91 -2.23 0.00 0.00 178.31 176.08 3hp6 h ASN 782 N 0.07 0.24 -0.01 0.41 -0.26 -1.97 -0.19 115.58 113.86 3hp6 h ASN 782 Ca 0.03 -0.19 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 3hp6 h ASN 782 Cb 0.06 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3hp6 h ASN 782 CO -0.01 0.36 -0.04 0.58 -1.06 0.00 0.00 177.43 177.27 3hp6 h VAL 783 N 0.10 0.89 -0.84 2.81 2.07 -1.93 -1.99 116.25 117.36 3hp6 h VAL 783 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3hp6 h VAL 783 Cb 0.21 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3hp6 h VAL 783 CO -0.00 0.00 0.47 -0.09 0.02 0.00 0.00 177.57 177.97 3hp6 h ARG 784 N -0.07 1.16 -0.20 1.57 2.43 -1.06 -2.47 114.38 115.74 3hp6 h ARG 784 Ca 0.02 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 3hp6 h ARG 784 Cb 0.10 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3hp6 h ARG 784 CO -0.05 0.84 -0.47 0.77 -1.51 0.00 0.00 179.97 179.54 3hp6 h SER 785 N 1.17 0.56 -0.56 -3.80 0.02 -0.77 -0.75 113.55 109.42 3hp6 h SER 785 Ca 0.30 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3hp6 h SER 785 Cb 0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3hp6 h SER 785 CO -0.05 0.94 0.22 -0.26 -1.14 0.00 0.00 176.83 176.55 3hp6 h PHE 786 N 0.41 0.86 -0.75 3.45 0.04 -1.21 -2.31 116.94 117.42 3hp6 h PHE 786 Ca 0.02 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3hp6 h PHE 786 Cb 0.98 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 3hp6 h PHE 786 CO 0.04 0.70 0.37 0.00 -0.60 0.00 0.00 178.31 178.81 3hp6 h ALA 787 N 1.07 1.24 -0.69 2.45 0.00 -1.05 -1.73 119.26 120.54 3hp6 h ALA 787 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hp6 h ALA 787 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hp6 h ALA 787 CO -0.01 0.59 0.17 0.93 0.00 0.00 0.00 179.25 180.93 3hp6 h GLU 788 N 1.06 1.10 -0.08 0.00 5.08 -0.91 -0.49 114.58 120.34 3hp6 h GLU 788 Ca 0.26 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3hp6 h GLU 788 Cb 0.09 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hp6 h GLU 788 CO -0.04 0.96 -0.46 0.00 -1.00 0.00 0.00 179.01 178.48 3hp6 h ARG 789 N 1.04 0.18 -0.62 2.33 3.08 -1.17 -1.54 114.38 117.68 3hp6 h ARG 789 Ca 0.22 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3hp6 h ARG 789 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3hp6 h ARG 789 CO 0.00 0.61 0.12 0.52 -1.07 0.00 0.00 179.97 180.15 3hp6 h MET 790 N 0.15 1.00 -0.90 0.04 2.86 -0.85 -1.46 114.93 115.76 3hp6 h MET 790 Ca 0.01 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3hp6 h MET 790 Cb 0.88 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 3hp6 h MET 790 CO 0.07 0.91 0.58 0.00 1.06 0.00 0.00 176.91 179.52 3hp6 h ALA 791 N 1.18 1.15 -0.29 6.32 0.00 -0.54 0.47 119.26 127.55 3hp6 h ALA 791 Ca 0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3hp6 h ALA 791 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hp6 h ALA 791 CO 0.01 0.57 -0.44 0.52 0.00 0.00 0.00 179.25 179.91 3hp6 h MET 792 N 1.23 0.75 0.13 0.00 2.07 -1.10 -3.37 114.93 114.64 3hp6 h MET 792 Ca 0.33 -0.41 -0.33 0.00 -2.07 0.00 0.00 59.70 57.22 3hp6 h MET 792 Cb -0.10 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 3hp6 h MET 792 CO -0.07 1.04 -1.73 -0.97 1.07 0.00 0.00 176.91 176.25 3hp6 h ASN 793 N 0.60 0.42 -0.79 1.22 -0.73 -0.99 -3.40 115.58 111.90 3hp6 h ASN 793 Ca 0.04 -0.89 0.07 0.00 1.87 0.00 0.00 56.30 57.40 3hp6 h ASN 793 Cb 1.00 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.39 3hp6 h ASN 793 CO 0.09 1.75 0.46 0.74 -0.37 0.00 0.00 177.43 180.11 3hp6 h THR 794 N -0.11 0.97 0.00 -3.57 2.02 -1.07 -0.59 112.91 110.55 3hp6 h THR 794 Ca -0.37 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 3hp6 h THR 794 Cb 1.92 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3hp6 h THR 794 CO 0.07 0.15 -0.15 -0.65 0.37 0.00 0.00 175.52 175.31 3hp6 h PRO 795 N 0.82 0.00 0.00 6.66 0.11 -1.77 0.10 132.00 137.92 3hp6 h PRO 795 Ca 0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 3hp6 h PRO 795 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3hp6 h PRO 795 CO -0.20 0.15 -0.27 0.82 -0.21 0.00 0.00 178.00 178.29 3hp6 h ILE 796 N 0.00 0.75 -0.76 4.15 1.08 -1.43 -2.19 117.51 119.11 3hp6 h ILE 796 Ca -0.00 -1.63 0.04 0.00 -0.39 0.00 0.00 64.86 62.88 3hp6 h ILE 796 Cb 0.30 1.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 3hp6 h ILE 796 CO 0.02 0.25 0.47 -0.61 -0.69 0.00 0.00 178.15 177.59 3hp6 h GLN 797 N -1.00 0.86 -0.21 2.37 4.15 -1.18 -1.57 115.11 118.53 3hp6 h GLN 797 Ca -0.05 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.16 3hp6 h GLN 797 Cb 0.61 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3hp6 h GLN 797 CO -0.03 0.57 -0.52 0.78 -1.93 0.00 0.00 178.83 177.70 3hp6 h GLY 798 N 0.89 0.64 1.24 2.39 0.00 -0.92 -1.83 103.07 105.47 3hp6 h GLY 798 Ca 0.32 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3hp6 h GLY 798 CO -0.14 0.65 -0.26 1.76 0.00 0.00 0.00 176.54 178.55 3hp6 h SER 799 N 0.46 0.88 -0.78 0.19 0.02 -1.14 -0.39 113.55 112.79 3hp6 h SER 799 Ca 0.02 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3hp6 h SER 799 Cb 1.06 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 3hp6 h SER 799 CO 0.10 1.09 0.51 0.00 -1.14 0.00 0.00 176.83 177.40 3hp6 h ALA 800 N 0.97 1.51 -0.46 3.77 0.00 -1.17 -1.07 119.26 122.81 3hp6 h ALA 800 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hp6 h ALA 800 Cb 0.80 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hp6 h ALA 800 CO 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 3hp6 h ALA 801 N 1.54 0.62 -0.86 0.00 0.00 -0.74 -2.42 119.26 117.40 3hp6 h ALA 801 Ca 0.31 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hp6 h ALA 801 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3hp6 h ALA 801 CO -0.08 0.44 0.56 -0.44 0.00 0.00 0.00 179.25 179.73 3hp6 h ASP 802 N 0.67 0.96 -0.10 0.00 3.45 -0.57 -2.33 116.42 118.50 3hp6 h ASP 802 Ca 0.13 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 3hp6 h ASP 802 Cb 0.54 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3hp6 h ASP 802 CO 0.03 0.69 0.02 0.40 -1.57 0.00 0.00 179.24 178.80 3hp6 h ILE 803 N 1.13 1.21 -0.11 0.35 2.04 -1.04 -1.64 117.51 119.45 3hp6 h ILE 803 Ca 0.32 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3hp6 h ILE 803 Cb -0.09 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hp6 h ILE 803 CO -0.08 0.19 -0.30 -0.29 0.00 0.00 0.00 178.15 177.66 3hp6 h ILE 804 N -0.06 1.26 -0.34 -0.67 2.10 -1.38 -0.36 117.51 118.05 3hp6 h ILE 804 Ca 0.03 -1.21 -0.05 0.00 1.08 0.00 0.00 64.86 64.71 3hp6 h ILE 804 Cb 0.27 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 3hp6 h ILE 804 CO 0.00 0.36 0.02 0.11 -1.08 0.00 0.00 178.15 177.57 3hp6 h LYS 805 N 0.19 0.58 -0.86 2.19 1.57 -1.26 -1.00 116.57 117.99 3hp6 h LYS 805 Ca 0.03 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3hp6 h LYS 805 Cb 0.63 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 3hp6 h LYS 805 CO 0.05 0.69 0.44 -0.22 -0.57 0.00 0.00 179.45 179.83 3hp6 h LYS 806 N 0.40 1.22 -0.47 3.15 3.64 -0.99 -2.41 116.57 121.11 3hp6 h LYS 806 Ca 0.10 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3hp6 h LYS 806 Cb 0.41 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3hp6 h LYS 806 CO 0.01 0.92 0.01 0.00 -2.27 0.00 0.00 179.45 178.12 3hp6 h ALA 807 N 1.26 1.12 -0.59 5.00 0.00 -0.64 -0.82 119.26 124.59 3hp6 h ALA 807 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hp6 h ALA 807 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hp6 h ALA 807 CO -0.04 0.56 0.14 0.52 0.00 0.00 0.00 179.25 180.43 3hp6 h MET 808 N 0.73 0.94 -0.17 0.00 2.86 -0.72 0.25 114.93 118.82 3hp6 h MET 808 Ca 0.14 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3hp6 h MET 808 Cb 0.44 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3hp6 h MET 808 CO 0.02 0.87 0.07 0.82 1.06 0.00 0.00 176.91 179.74 3hp6 h ILE 809 N 0.85 1.15 -0.70 -1.22 2.04 -1.03 -1.31 117.51 117.29 3hp6 h ILE 809 Ca 0.18 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3hp6 h ILE 809 Cb 0.35 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3hp6 h ILE 809 CO 0.00 0.15 0.37 0.44 0.00 0.00 0.00 178.15 179.11 3hp6 h ASP 810 N 0.12 0.89 -0.09 1.72 3.32 -0.93 -2.21 116.42 119.24 3hp6 h ASP 810 Ca 0.06 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hp6 h ASP 810 Cb 0.17 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hp6 h ASP 810 CO -0.00 0.74 0.05 0.25 -1.72 0.00 0.00 179.24 178.56 3hp6 h LEU 811 N 0.97 0.11 -0.95 1.55 5.85 -0.44 -1.91 115.31 120.49 3hp6 h LEU 811 Ca 0.24 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3hp6 h LEU 811 Cb 0.06 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3hp6 h LEU 811 CO -0.04 0.16 0.62 0.78 -0.34 0.00 0.00 178.44 179.63 3hp6 h ASN 812 N 0.05 1.03 -0.54 1.25 4.21 -1.05 -0.04 115.58 120.48 3hp6 h ASN 812 Ca 0.03 -0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.58 3hp6 h ASN 812 Cb 0.08 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.00 3hp6 h ASN 812 CO -0.00 0.70 0.29 0.00 -1.29 0.00 0.00 177.43 177.13 3hp6 h ALA 813 N 1.39 0.70 -0.45 -0.83 0.00 -1.24 -1.33 119.26 117.49 3hp6 h ALA 813 Ca 0.38 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 3hp6 h ALA 813 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hp6 h ALA 813 CO -0.12 -0.05 -0.17 0.00 0.00 0.00 0.00 179.25 178.91 3hp6 h ARG 814 N 0.55 0.91 -0.85 0.00 2.47 -0.72 -0.74 114.38 116.00 3hp6 h ARG 814 Ca 0.24 -0.38 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3hp6 h ARG 814 Cb 0.12 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 3hp6 h ARG 814 CO -0.15 1.03 0.50 -0.07 0.56 0.00 0.00 179.97 181.84 3hp6 h LEU 815 N 0.75 1.04 -0.31 3.04 3.38 -0.78 -0.59 115.31 121.85 3hp6 h LEU 815 Ca 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3hp6 h LEU 815 Cb 0.73 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hp6 h LEU 815 CO 0.06 0.81 -0.12 0.11 0.09 0.00 0.00 178.44 179.38 3hp6 h LYS 816 N 1.18 0.63 -0.19 1.13 1.79 -1.13 -1.44 116.57 118.53 3hp6 h LYS 816 Ca 0.31 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 3hp6 h LYS 816 Cb -0.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3hp6 h LYS 816 CO -0.05 0.84 0.04 1.05 -1.08 0.00 0.00 179.45 180.25 3hp6 h GLU 817 N 0.39 0.26 -0.01 3.15 4.11 -0.85 -2.11 114.58 119.52 3hp6 h GLU 817 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3hp6 h GLU 817 Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hp6 h GLU 817 CO 0.04 0.25 -0.07 0.39 0.07 0.00 0.00 179.01 179.69 3hp6 n GLU 818 N -4.42 1.37 -3.94 1.06 -0.58 -0.25 -4.94 120.64 108.94 3hp6 n GLU 818 Ca -0.00 -0.76 -0.29 0.00 -0.42 0.00 0.00 57.16 55.68 3hp6 n GLU 818 Cb 0.14 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.54 3hp6 n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hp6 n ARG 819 N -0.15 -4.85 -3.11 3.49 1.74 -0.79 -4.98 116.66 108.00 3hp6 n ARG 819 Ca 0.17 0.55 -0.34 0.00 -0.77 0.00 0.00 57.85 57.46 3hp6 n ARG 819 Cb 0.34 -5.29 -0.06 0.00 -1.02 0.00 0.00 32.46 26.43 3hp6 n ARG 819 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hp6 s LEU 820 N -7.16 4.14 0.25 0.55 1.43 -0.59 -4.97 118.68 112.32 3hp6 s LEU 820 Ca 0.51 1.34 0.25 0.00 -1.03 0.00 0.00 54.13 55.20 3hp6 s LEU 820 Cb -0.26 -3.96 0.61 0.00 0.03 0.00 0.00 46.19 42.61 3hp6 s LEU 820 CO 0.85 -0.14 1.65 1.56 0.23 0.00 0.00 176.35 180.49 3hp6 h GLN 821 N 2.57 0.00 -6.57 1.70 4.20 -1.94 -3.44 115.11 111.63 3hp6 h GLN 821 Ca -0.48 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.64 3hp6 h GLN 821 Cb 1.18 0.00 0.10 0.00 0.30 0.00 0.00 27.48 29.06 3hp6 h GLN 821 CO 0.65 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 179.18 3hp6 n ALA 822 N -1.88 0.49 -2.75 3.87 0.00 -1.26 -4.90 120.51 114.08 3hp6 n ALA 822 Ca 0.05 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 3hp6 n ALA 822 Cb 0.46 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 3hp6 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3hp6 s HIS 823 N -0.76 0.09 0.45 0.00 -3.43 -0.85 -4.98 115.29 105.81 3hp6 s HIS 823 Ca 0.61 -0.38 -0.24 0.00 -0.80 0.00 0.00 55.06 54.25 3hp6 s HIS 823 Cb -0.66 -0.04 -0.07 0.00 -1.43 0.00 0.00 32.58 30.37 3hp6 s HIS 823 CO 0.58 -0.47 1.22 -0.51 -2.00 0.00 0.00 174.74 173.56 3hp6 s LEU 824 N -2.35 4.05 -0.07 5.38 1.43 -1.26 -1.97 118.68 123.89 3hp6 s LEU 824 Ca -0.02 2.44 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 3hp6 s LEU 824 Cb 0.01 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3hp6 s LEU 824 CO -0.06 -0.97 -0.09 0.18 0.23 0.00 0.00 176.35 175.64 3hp6 n LEU 825 N -0.38 1.27 -3.94 1.79 4.77 0.55 -4.59 117.00 116.46 3hp6 n LEU 825 Ca 0.07 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3hp6 n LEU 825 Cb 0.47 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 3hp6 n LEU 825 CO 0.50 0.30 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.79 3hp6 s LEU 826 N -6.11 2.03 -0.08 2.23 1.43 -0.94 -4.75 118.68 112.49 3hp6 s LEU 826 Ca -0.10 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3hp6 s LEU 826 Cb 0.04 0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.50 3hp6 s LEU 826 CO 0.14 -0.30 -0.20 -1.58 0.23 0.00 0.00 176.35 174.65 3hp6 s GLN 827 N -1.34 2.78 -0.49 1.70 -0.44 -1.26 -0.85 119.66 119.76 3hp6 s GLN 827 Ca -0.15 -0.80 0.07 0.00 -2.50 0.00 0.00 55.36 51.98 3hp6 s GLN 827 Cb -0.09 -2.33 0.37 0.00 -1.64 0.00 0.00 33.01 29.31 3hp6 s GLN 827 CO -0.00 0.38 0.93 0.28 0.50 0.00 0.00 175.29 177.38 3hp6 n VAL 828 N 2.99 2.10 0.00 1.34 0.31 -0.01 -4.84 118.33 120.23 3hp6 n VAL 828 Ca -0.18 -5.07 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 3hp6 n VAL 828 Cb 0.52 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3hp6 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3hp6 n HIS 829 N -0.17 0.00 -1.39 3.52 -0.00 -1.26 -3.45 115.22 112.48 3hp6 n HIS 829 Ca 0.30 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 58.05 3hp6 n HIS 829 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.57 3hp6 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3hp6 n ASP 830 N 2.37 1.04 -3.96 0.41 5.68 -1.26 -4.76 116.55 116.07 3hp6 n ASP 830 Ca 0.00 -2.30 -0.09 0.00 -0.50 0.00 0.00 54.79 51.90 3hp6 n ASP 830 Cb 0.00 -0.25 -0.10 0.00 -1.14 0.00 0.00 41.12 39.63 3hp6 n ASP 830 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3hp6 s GLU 831 N -1.15 0.52 -0.06 0.11 -1.05 -1.22 -0.79 118.70 115.05 3hp6 s GLU 831 Ca 0.12 -0.78 0.04 0.00 -0.15 0.00 0.00 54.97 54.20 3hp6 s GLU 831 Cb 0.10 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3hp6 s GLU 831 CO 0.01 -0.12 -0.19 -0.51 0.95 0.00 0.00 175.26 175.41 3hp6 s LEU 832 N -2.07 1.92 -0.15 1.83 1.43 -0.01 -0.83 118.68 120.80 3hp6 s LEU 832 Ca -0.06 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3hp6 s LEU 832 Cb -0.02 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 3hp6 s LEU 832 CO -0.04 0.14 -0.13 -0.63 0.23 0.00 0.00 176.35 175.91 3hp6 s ILE 833 N 0.24 2.91 0.35 -0.59 1.09 -0.03 -0.99 121.20 124.18 3hp6 s ILE 833 Ca -0.10 -0.70 0.08 0.00 -1.10 0.00 0.00 60.65 58.84 3hp6 s ILE 833 Cb -0.15 -2.23 -0.07 0.00 -1.06 0.00 0.00 42.46 38.96 3hp6 s ILE 833 CO 0.05 0.51 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.57 3hp6 s LEU 834 N 0.64 2.71 0.12 2.97 1.02 0.57 -0.33 118.68 126.37 3hp6 s LEU 834 Ca -0.07 -1.24 0.07 0.00 0.02 0.00 0.00 54.13 52.91 3hp6 s LEU 834 Cb -0.16 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 3hp6 s LEU 834 CO 0.03 -0.29 -0.16 -1.83 0.02 0.00 0.00 176.35 174.12 3hp6 s GLU 835 N -3.66 1.05 0.03 1.70 -1.05 -0.83 -0.78 118.70 115.16 3hp6 s GLU 835 Ca 0.33 -1.21 -0.27 0.00 -0.15 0.00 0.00 54.97 53.67 3hp6 s GLU 835 Cb 0.04 -1.03 0.09 0.00 -0.44 0.00 0.00 34.13 32.79 3hp6 s GLU 835 CO 0.16 0.21 0.79 0.00 0.95 0.00 0.00 175.26 177.37 3hp6 s ALA 836 N -1.84 -1.76 0.49 -0.84 0.00 -0.74 -2.01 121.76 115.06 3hp6 s ALA 836 Ca 0.08 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 3hp6 s ALA 836 Cb -0.07 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.40 3hp6 s ALA 836 CO 0.04 -0.65 1.10 -2.30 0.00 0.00 0.00 175.76 173.94 3hp6 n PRO 837 N -0.10 1.40 -0.17 0.00 -0.02 -1.26 -1.06 135.00 133.79 3hp6 n PRO 837 Ca -0.12 0.51 0.19 0.00 -2.02 0.00 0.00 63.50 62.05 3hp6 n PRO 837 Cb 0.62 -2.22 0.56 0.00 -0.02 0.00 0.00 33.50 32.43 3hp6 n PRO 837 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3hp6 h LYS 838 N 1.36 0.30 0.00 -0.52 2.10 -1.45 -0.71 116.57 117.66 3hp6 h LYS 838 Ca -0.47 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3hp6 h LYS 838 Cb 1.33 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3hp6 h LYS 838 CO 0.56 0.20 0.00 -0.85 -2.00 0.00 0.00 179.45 177.36 3hp6 n GLU 839 N -4.45 0.15 0.00 0.07 0.00 -1.26 -2.34 120.64 112.81 3hp6 n GLU 839 Ca 0.16 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.57 3hp6 n GLU 839 Cb 0.64 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.74 3hp6 n GLU 839 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hp6 n GLU 840 N -1.38 1.56 -0.19 3.44 1.02 -0.27 -4.65 120.64 120.17 3hp6 n GLU 840 Ca 0.07 -1.21 -0.08 0.00 -0.02 0.00 0.00 57.16 55.92 3hp6 n GLU 840 Cb 0.18 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3hp6 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3hp6 h MET 841 N 2.95 0.79 -0.82 3.49 2.86 -1.55 -0.75 114.93 121.91 3hp6 h MET 841 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3hp6 h MET 841 Cb 0.76 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 3hp6 h MET 841 CO 0.00 0.69 0.53 0.93 1.06 0.00 0.00 176.91 180.11 3hp6 h GLU 842 N 0.72 1.09 -0.36 1.72 5.08 -1.82 0.35 114.58 121.36 3hp6 h GLU 842 Ca 0.18 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 3hp6 h GLU 842 Cb 0.18 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hp6 h GLU 842 CO -0.02 0.74 -0.29 0.00 -1.00 0.00 0.00 179.01 178.44 3hp6 h ARG 843 N 1.12 0.78 -0.70 2.33 3.08 -1.80 -3.09 114.38 116.10 3hp6 h ARG 843 Ca 0.30 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3hp6 h ARG 843 Cb -0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3hp6 h ARG 843 CO -0.06 0.97 0.19 -0.07 -1.07 0.00 0.00 179.97 179.93 3hp6 h LEU 844 N 0.66 1.04 -1.66 3.04 3.38 -0.56 -0.94 115.31 120.26 3hp6 h LEU 844 Ca 0.08 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.00 3hp6 h LEU 844 Cb 0.82 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3hp6 h LEU 844 CO 0.07 0.99 0.50 0.00 0.09 0.00 0.00 178.44 180.08 3hp6 h ARG 846 N 0.33 0.25 0.02 0.00 2.47 -1.48 -3.41 114.38 112.56 3hp6 h ARG 846 Ca 0.36 -0.43 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3hp6 h ARG 846 Cb 0.94 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 3hp6 h ARG 846 CO -0.10 1.21 -0.01 1.25 0.56 0.00 0.00 179.97 182.88 3hp6 h LEU 847 N -0.28 -0.02 -0.22 3.04 6.46 -0.60 -3.17 115.31 120.53 3hp6 h LEU 847 Ca -0.31 -0.55 -0.03 0.00 -0.12 0.00 0.00 57.88 56.87 3hp6 h LEU 847 Cb 1.78 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.71 3hp6 h LEU 847 CO 0.07 0.55 0.00 0.58 -0.62 0.00 0.00 178.44 179.01 3hp6 h VAL 848 N -0.59 1.25 -0.45 1.05 2.07 -1.31 -1.29 116.25 116.98 3hp6 h VAL 848 Ca -0.00 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3hp6 h VAL 848 Cb 0.57 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3hp6 h VAL 848 CO 0.00 0.27 0.06 -0.65 0.02 0.00 0.00 177.57 177.27 3hp6 h PRO 849 N 0.15 0.70 -0.22 1.57 0.11 -1.77 -1.65 132.00 130.89 3hp6 h PRO 849 Ca 0.06 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3hp6 h PRO 849 Cb 0.40 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3hp6 h PRO 849 CO 0.01 0.68 0.10 1.49 -0.21 0.00 0.00 178.00 180.06 3hp6 h GLU 850 N 0.67 0.32 -0.64 1.05 4.57 -1.45 0.23 114.58 119.32 3hp6 h GLU 850 Ca 0.14 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3hp6 h GLU 850 Cb 0.33 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3hp6 h GLU 850 CO 0.01 0.35 0.25 0.28 -1.18 0.00 0.00 179.01 178.72 3hp6 h VAL 851 N 0.21 1.24 -0.43 0.32 2.07 -1.02 -1.34 116.25 117.31 3hp6 h VAL 851 Ca 0.07 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 3hp6 h VAL 851 Cb 0.14 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3hp6 h VAL 851 CO -0.01 0.29 0.00 0.24 0.02 0.00 0.00 177.57 178.12 3hp6 h MET 852 N 0.90 0.75 0.00 1.57 2.86 -1.08 -2.70 114.93 117.23 3hp6 h MET 852 Ca 0.21 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3hp6 h MET 852 Cb 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3hp6 h MET 852 CO -0.02 0.83 -0.28 0.93 1.06 0.00 0.00 176.91 179.43 3hp6 h GLU 853 N 0.59 0.00 -0.36 1.72 5.08 -0.35 -3.10 114.58 118.16 3hp6 h GLU 853 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hp6 h GLU 853 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hp6 h GLU 853 CO 0.02 0.28 0.00 1.04 -1.00 0.00 0.00 179.01 179.35 3hp6 n GLN 854 N -4.07 2.38 -0.23 2.33 1.13 -0.52 -4.53 117.38 113.87 3hp6 n GLN 854 Ca -0.02 -2.09 -0.04 0.00 -1.94 0.00 0.00 57.00 52.91 3hp6 n GLN 854 Cb 0.34 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.26 3hp6 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hp6 h ALA 855 N 4.42 0.84 -2.25 -1.58 0.00 -1.40 -3.42 119.26 115.87 3hp6 h ALA 855 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3hp6 h ALA 855 Cb 0.90 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.34 3hp6 h ALA 855 CO 0.00 0.16 -0.66 0.14 0.00 0.00 0.00 179.25 178.89 3hp6 s VAL 856 N -6.12 0.84 -0.26 0.00 -7.23 -1.26 -4.92 120.40 101.44 3hp6 s VAL 856 Ca -0.13 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 3hp6 s VAL 856 Cb 0.15 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.89 3hp6 s VAL 856 CO 0.76 -0.42 0.00 -0.89 -0.31 0.00 0.00 175.10 174.24 3hp6 s THR 857 N -3.55 3.40 0.55 5.32 2.01 -1.26 -4.96 115.64 117.15 3hp6 s THR 857 Ca 0.26 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.50 3hp6 s THR 857 Cb 0.06 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.90 3hp6 s THR 857 CO 0.06 0.18 0.45 -0.76 -0.69 0.00 0.00 174.62 173.86 3hp6 s LEU 858 N 1.42 2.72 0.15 4.42 1.43 -1.26 -5.02 118.68 122.54 3hp6 s LEU 858 Ca 0.02 -1.22 0.24 0.00 -1.03 0.00 0.00 54.13 52.14 3hp6 s LEU 858 Cb -0.17 -1.21 0.91 0.00 0.03 0.00 0.00 46.19 45.76 3hp6 s LEU 858 CO -0.01 -1.15 1.73 0.54 0.23 0.00 0.00 176.35 177.69 3hp6 n ARG 859 N -1.83 0.15 -4.36 1.70 1.74 -1.26 -4.65 116.66 108.15 3hp6 n ARG 859 Ca 0.00 0.25 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 3hp6 n ARG 859 Cb 0.64 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 3hp6 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hp6 s VAL 860 N -3.13 1.97 0.76 1.55 -7.23 -1.26 -5.00 120.40 108.05 3hp6 s VAL 860 Ca 0.09 -1.94 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 3hp6 s VAL 860 Cb 0.12 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 35.21 3hp6 s VAL 860 CO 0.47 -0.25 1.17 -2.84 -0.31 0.00 0.00 175.10 173.34 3hp6 s PRO 861 N -2.72 2.02 0.12 4.82 0.02 -1.26 -5.04 135.00 132.97 3hp6 s PRO 861 Ca 0.17 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 3hp6 s PRO 861 Cb -0.07 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3hp6 s PRO 861 CO 0.07 -1.89 0.40 -0.51 -0.33 0.00 0.00 177.00 174.74 3hp6 s LEU 862 N -5.45 4.29 -0.07 -5.54 1.43 -1.26 -5.01 118.68 107.07 3hp6 s LEU 862 Ca 0.71 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 3hp6 s LEU 862 Cb -0.26 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.77 3hp6 s LEU 862 CO 0.48 0.09 -0.16 -0.75 0.23 0.00 0.00 176.35 176.24 3hp6 s LYS 863 N -2.35 2.03 -0.10 1.70 2.47 -1.26 -4.85 119.74 117.38 3hp6 s LYS 863 Ca 0.38 -0.56 0.03 0.00 -1.56 0.00 0.00 55.97 54.26 3hp6 s LYS 863 Cb -0.13 -1.64 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 3hp6 s LYS 863 CO 0.21 0.11 -0.21 0.08 0.16 0.00 0.00 175.35 175.70 3hp6 s VAL 864 N 0.46 1.83 0.05 4.02 1.01 -1.26 -0.23 120.40 126.28 3hp6 s VAL 864 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3hp6 s VAL 864 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3hp6 s VAL 864 CO 0.05 0.51 0.16 -1.81 0.00 0.00 0.00 175.10 174.01 3hp6 s ASP 865 N 0.49 6.12 0.03 3.32 1.01 -0.04 -4.91 116.67 122.70 3hp6 s ASP 865 Ca -0.16 0.21 -0.13 0.00 0.71 0.00 0.00 52.55 53.18 3hp6 s ASP 865 Cb -0.17 -1.83 0.02 0.00 1.01 0.00 0.00 42.92 41.95 3hp6 s ASP 865 CO 0.06 0.20 0.29 -0.72 0.21 0.00 0.00 175.17 175.21 3hp6 s TYR 866 N -1.42 -0.10 0.08 4.23 -0.85 -1.26 0.05 117.35 118.08 3hp6 s TYR 866 Ca 0.31 -0.01 -0.18 0.00 -0.52 0.00 0.00 57.07 56.67 3hp6 s TYR 866 Cb -0.13 0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.33 3hp6 s TYR 866 CO 0.24 -0.48 0.43 -1.01 -1.52 0.00 0.00 175.55 173.21 3hp6 s HIS 867 N -2.37 -0.27 0.05 -3.49 3.76 -0.50 -5.01 115.29 107.46 3hp6 s HIS 867 Ca -0.06 0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3hp6 s HIS 867 Cb -0.02 0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.91 3hp6 s HIS 867 CO -0.02 -0.64 0.04 1.52 -0.85 0.00 0.00 174.74 174.79 3hp6 s TYR 868 N -3.00 0.37 -0.00 1.40 -0.85 -1.26 -0.81 117.35 113.20 3hp6 s TYR 868 Ca -0.02 -0.83 -0.15 0.00 -0.52 0.00 0.00 57.07 55.55 3hp6 s TYR 868 Cb 0.00 -0.26 0.05 0.00 0.38 0.00 0.00 41.96 42.13 3hp6 s TYR 868 CO -0.06 -0.40 0.70 0.41 -1.52 0.00 0.00 175.55 174.68 3hp6 n GLY 869 N 0.30 0.44 0.25 5.49 0.00 -0.19 -4.38 105.19 107.10 3hp6 n GLY 869 Ca -0.16 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.04 3hp6 n GLY 869 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hp6 h SER 870 N 1.11 0.00 -5.00 1.61 0.02 -1.88 -0.44 113.55 108.98 3hp6 h SER 870 Ca -0.12 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 3hp6 h SER 870 Cb 0.66 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.05 3hp6 h SER 870 CO 0.17 0.03 -0.64 0.42 -1.14 0.00 0.00 176.83 175.68 3hp6 s THR 871 N -3.46 0.35 0.32 -2.27 -4.23 -1.26 -4.29 115.64 100.79 3hp6 s THR 871 Ca 0.04 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3hp6 s THR 871 Cb 0.07 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.91 3hp6 s THR 871 CO 0.61 -0.29 1.98 -0.25 -0.54 0.00 0.00 174.62 176.13 3hp6 h TRP 872 N 2.67 0.94 -0.72 3.99 7.01 -1.24 -1.85 115.95 126.75 3hp6 h TRP 872 Ca -0.36 0.02 0.11 0.00 2.11 0.00 0.00 58.89 60.77 3hp6 h TRP 872 Cb 1.22 -0.32 -0.08 0.00 -2.10 0.00 0.00 29.16 27.88 3hp6 h TRP 872 CO 0.45 0.58 0.34 -0.92 -2.79 0.00 0.00 178.44 176.10 3hp6 h TYR 873 N 1.01 0.60 0.00 2.65 3.20 -1.68 -2.42 116.97 120.32 3hp6 h TYR 873 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3hp6 h TYR 873 Cb -0.08 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3hp6 h TYR 873 CO -0.00 0.17 0.00 -0.44 -1.64 0.00 0.00 178.16 176.25 3hp6 h ASP 874 N 0.55 0.00 -0.12 -2.11 3.45 -1.66 -3.34 116.42 113.19 3hp6 h ASP 874 Ca 0.37 0.00 -0.69 0.00 0.43 0.00 0.00 57.03 57.14 3hp6 h ASP 874 Cb 0.46 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3hp6 h ASP 874 CO -0.31 0.00 3.51 0.00 -1.57 0.00 0.00 179.24 180.86 3hp6 n ALA 875 N -1.80 6.89 -1.07 3.45 0.00 -0.91 -4.33 120.51 122.74 3hp6 n ALA 875 Ca 0.04 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.79 3hp6 n ALA 875 Cb 0.35 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.43 3hp6 n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86