#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hv8 n ASP 442 N 0.00 2.40 -0.31 1.61 -0.08 -1.26 -4.93 116.55 113.97 3hv8 n ASP 442 Ca 0.00 -3.08 0.20 0.00 -1.51 0.00 0.00 54.79 50.40 3hv8 n ASP 442 Cb 0.00 -0.70 0.47 0.00 2.34 0.00 0.00 41.12 43.23 3hv8 n ASP 442 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3hv8 h VAL 443 N 4.03 0.58 -0.05 5.18 2.07 -1.99 -2.04 116.25 124.03 3hv8 h VAL 443 Ca 0.18 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hv8 h VAL 443 Cb 0.77 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3hv8 h VAL 443 CO 0.67 0.09 0.01 0.40 0.02 0.00 0.00 177.57 178.75 3hv8 h ILE 444 N 0.47 1.22 -0.78 4.57 1.08 -1.95 0.60 117.51 122.71 3hv8 h ILE 444 Ca 0.57 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3hv8 h ILE 444 Cb 1.33 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 3hv8 h ILE 444 CO -0.30 0.18 0.50 0.00 -0.69 0.00 0.00 178.15 177.84 3hv8 h ALA 445 N 0.76 1.02 -0.58 1.87 0.00 -1.90 -0.37 119.26 120.06 3hv8 h ALA 445 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hv8 h ALA 445 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hv8 h ALA 445 CO 0.00 0.32 0.37 0.82 0.00 0.00 0.00 179.25 180.77 3hv8 h ILE 446 N 0.99 1.16 -0.44 0.00 2.04 -1.10 -2.22 117.51 117.94 3hv8 h ILE 446 Ca 0.31 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3hv8 h ILE 446 Cb -0.01 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3hv8 h ILE 446 CO -0.10 0.16 0.10 -0.07 0.00 0.00 0.00 178.15 178.24 3hv8 h LEU 447 N 0.79 0.67 -0.49 1.44 3.38 -0.36 0.12 115.31 120.86 3hv8 h LEU 447 Ca 0.21 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3hv8 h LEU 447 Cb -0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3hv8 h LEU 447 CO -0.04 0.73 0.19 1.56 0.09 0.00 0.00 178.44 180.97 3hv8 h GLN 448 N 0.58 0.37 -0.35 1.13 4.20 -0.96 -1.41 115.11 118.67 3hv8 h GLN 448 Ca 0.14 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3hv8 h GLN 448 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3hv8 h GLN 448 CO 0.00 0.25 -0.12 0.37 -0.67 0.00 0.00 178.83 178.66 3hv8 h GLN 449 N 0.38 0.70 -0.92 1.46 4.15 -1.24 -3.19 115.11 116.44 3hv8 h GLN 449 Ca 0.23 -0.28 0.05 0.00 0.77 0.00 0.00 58.65 59.41 3hv8 h GLN 449 Cb 0.22 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 3hv8 h GLN 449 CO -0.22 0.87 0.60 0.00 -1.93 0.00 0.00 178.83 178.16 3hv8 h ALA 450 N 0.80 1.44 0.00 3.38 0.00 -0.32 -1.34 119.26 123.22 3hv8 h ALA 450 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hv8 h ALA 450 Cb 0.64 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hv8 h ALA 450 CO 0.04 0.46 -0.02 -0.07 0.00 0.00 0.00 179.25 179.65 3hv8 h LEU 451 N 1.13 0.00 -1.10 0.00 3.38 -1.26 -2.20 115.31 115.26 3hv8 h LEU 451 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3hv8 h LEU 451 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hv8 h LEU 451 CO -0.13 0.02 -0.27 -0.62 0.09 0.00 0.00 178.44 177.54 3hv8 n GLU 452 N -3.28 1.58 -0.10 1.13 -0.58 -0.55 -4.57 120.64 114.27 3hv8 n GLU 452 Ca -0.02 -1.02 0.02 0.00 -0.42 0.00 0.00 57.16 55.72 3hv8 n GLU 452 Cb 0.15 -1.32 0.03 0.00 -0.57 0.00 0.00 31.44 29.74 3hv8 n GLU 452 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3hv8 n THR 453 N 0.17 0.82 -2.96 2.62 -2.24 -0.93 -5.00 114.28 106.77 3hv8 n THR 453 Ca 0.08 -0.92 -0.21 0.00 -2.27 0.00 0.00 64.05 60.73 3hv8 n THR 453 Cb 0.38 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 3hv8 n THR 453 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hv8 n ASN 454 N -0.54 -5.28 -2.23 3.42 3.02 -0.98 -4.86 115.26 107.82 3hv8 n ASN 454 Ca 0.04 -0.22 -0.21 0.00 -0.03 0.00 0.00 54.58 54.16 3hv8 n ASN 454 Cb 0.48 -4.32 -0.05 0.00 -0.61 0.00 0.00 39.78 35.28 3hv8 n ASN 454 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3hv8 n SER 455 N -2.33 6.22 -4.24 6.41 2.88 -0.87 -4.78 113.62 116.91 3hv8 n SER 455 Ca -0.11 -3.02 -0.14 0.00 -1.33 0.00 0.00 58.87 54.27 3hv8 n SER 455 Cb 0.61 -1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 3hv8 n SER 455 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3hv8 s PHE 456 N -1.21 1.22 -0.01 0.66 0.08 -1.26 -0.85 117.98 116.61 3hv8 s PHE 456 Ca 0.51 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.72 3hv8 s PHE 456 Cb 0.32 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3hv8 s PHE 456 CO -0.13 -0.03 -0.05 0.50 -0.10 0.00 0.00 175.22 175.42 3hv8 s ARG 457 N -3.81 0.47 -0.07 0.44 3.52 0.30 -4.84 118.95 114.96 3hv8 s ARG 457 Ca 0.19 -0.15 -0.17 0.00 -0.13 0.00 0.00 55.73 55.47 3hv8 s ARG 457 Cb 0.04 -0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 32.90 3hv8 s ARG 457 CO 0.01 0.06 0.46 -0.51 -0.81 0.00 0.00 175.30 174.51 3hv8 s LEU 458 N 0.16 4.35 0.29 -0.88 1.43 -1.26 -0.99 118.68 121.77 3hv8 s LEU 458 Ca -0.01 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 3hv8 s LEU 458 Cb -0.05 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3hv8 s LEU 458 CO -0.00 0.11 0.11 -0.76 0.23 0.00 0.00 176.35 176.03 3hv8 s LEU 459 N 0.04 3.41 -0.06 1.79 1.43 0.37 -4.68 118.68 120.99 3hv8 s LEU 459 Ca 0.25 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3hv8 s LEU 459 Cb -0.16 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3hv8 s LEU 459 CO 0.12 -0.11 -0.06 -0.36 0.23 0.00 0.00 176.35 176.17 3hv8 s PHE 460 N -2.30 0.94 -0.17 0.29 0.08 0.18 -0.67 117.98 116.34 3hv8 s PHE 460 Ca 0.34 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.09 3hv8 s PHE 460 Cb -0.06 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 3hv8 s PHE 460 CO 0.22 -0.25 -0.16 -1.14 -0.10 0.00 0.00 175.22 173.80 3hv8 s GLN 461 N 1.02 2.55 0.50 0.44 0.74 0.04 -1.15 119.66 123.80 3hv8 s GLN 461 Ca -0.09 -0.71 -0.22 0.00 0.05 0.00 0.00 55.36 54.39 3hv8 s GLN 461 Cb -0.14 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.58 3hv8 s GLN 461 CO -0.00 -0.25 1.24 -1.25 -0.55 0.00 0.00 175.29 174.48 3hv8 s PRO 462 N 1.39 3.47 -0.19 1.67 0.04 -1.26 -0.77 135.00 139.35 3hv8 s PRO 462 Ca 0.04 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 3hv8 s PRO 462 Cb -0.13 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 3hv8 s PRO 462 CO -0.11 -0.84 -0.10 0.08 0.04 0.00 0.00 177.00 176.07 3hv8 s VAL 463 N -1.46 2.95 -0.20 -0.36 1.01 -0.19 -4.64 120.40 117.50 3hv8 s VAL 463 Ca 0.67 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3hv8 s VAL 463 Cb -0.33 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3hv8 s VAL 463 CO 0.39 0.47 0.11 -0.63 0.00 0.00 0.00 175.10 175.45 3hv8 s ILE 464 N 1.23 5.19 0.07 2.22 1.09 0.23 -4.20 121.20 127.02 3hv8 s ILE 464 Ca 0.02 0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.39 3hv8 s ILE 464 Cb -0.14 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 3hv8 s ILE 464 CO -0.04 0.43 1.03 -0.55 -0.10 0.00 0.00 174.94 175.70 3hv8 s SER 465 N 0.52 7.35 0.00 3.58 0.15 -1.26 -1.04 113.70 123.00 3hv8 s SER 465 Ca 0.06 1.81 0.23 0.00 0.70 0.00 0.00 55.95 58.75 3hv8 s SER 465 Cb -0.12 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 3hv8 s SER 465 CO -0.00 -0.23 1.09 0.18 1.20 0.00 0.00 173.24 175.48 3hv8 n LEU 466 N 3.37 1.51 -0.01 3.45 4.77 -0.28 -4.59 117.00 125.22 3hv8 n LEU 466 Ca 0.05 -0.58 0.01 0.00 -0.03 0.00 0.00 56.01 55.46 3hv8 n LEU 466 Cb 0.49 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3hv8 n LEU 466 CO 0.53 0.30 0.50 0.54 -1.33 0.00 0.00 177.39 177.93 3hv8 n ARG 467 N -0.66 2.66 0.00 3.23 5.12 -1.26 -4.98 116.66 120.77 3hv8 n ARG 467 Ca 0.08 -1.63 0.00 0.00 -1.93 0.00 0.00 57.85 54.37 3hv8 n ARG 467 Cb 0.40 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 3hv8 n ARG 467 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hv8 n GLY 468 N -0.62 1.13 3.78 -0.13 0.00 -1.26 -5.08 105.19 103.00 3hv8 n GLY 468 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3hv8 n GLY 468 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hv8 s ASP 469 N -2.00 6.67 0.00 1.61 2.15 -1.26 -4.96 116.67 118.87 3hv8 s ASP 469 Ca 0.00 2.14 0.23 0.00 0.43 0.00 0.00 52.55 55.35 3hv8 s ASP 469 Cb 0.00 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.20 3hv8 s ASP 469 CO 0.00 -0.56 1.20 -1.54 -0.17 0.00 0.00 175.17 174.10 3hv8 n SER 470 N -0.03 1.71 -4.76 -0.34 3.41 -1.26 -4.83 113.62 107.52 3hv8 n SER 470 Ca 0.05 -1.32 -0.38 0.00 -0.26 0.00 0.00 58.87 56.96 3hv8 n SER 470 Cb 0.49 0.42 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 3hv8 n SER 470 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hv8 s HIS 471 N -2.52 2.66 -0.83 7.33 3.76 -1.26 -4.84 115.29 119.59 3hv8 s HIS 471 Ca 0.19 1.44 -0.15 0.00 -0.15 0.00 0.00 55.06 56.39 3hv8 s HIS 471 Cb 0.18 -3.61 0.19 0.00 1.11 0.00 0.00 32.58 30.45 3hv8 s HIS 471 CO 0.58 -2.16 0.84 -1.21 -0.85 0.00 0.00 174.74 171.94 3hv8 s GLU 472 N -2.63 3.55 0.00 1.40 2.02 0.09 -4.90 118.70 118.22 3hv8 s GLU 472 Ca 0.64 -2.21 -0.21 0.00 0.02 0.00 0.00 54.97 53.22 3hv8 s GLU 472 Cb -0.35 -4.53 -0.05 0.00 0.10 0.00 0.00 34.13 29.29 3hv8 s GLU 472 CO 0.43 -1.42 0.61 -0.80 0.02 0.00 0.00 175.26 174.10 3hv8 s ASN 473 N 2.65 7.00 0.02 -0.19 -0.87 -1.26 -1.93 114.94 120.36 3hv8 s ASN 473 Ca 0.20 1.19 0.03 0.00 -1.57 0.00 0.00 52.86 52.71 3hv8 s ASN 473 Cb -0.10 -2.37 -0.02 0.00 -0.02 0.00 0.00 41.25 38.74 3hv8 s ASN 473 CO -0.08 0.11 -0.10 -0.31 -2.57 0.00 0.00 177.10 174.15 3hv8 s TYR 474 N -0.24 0.90 0.00 2.20 2.02 -0.38 -1.02 117.35 120.84 3hv8 s TYR 474 Ca 0.31 -0.30 -0.21 0.00 -0.37 0.00 0.00 57.07 56.50 3hv8 s TYR 474 Cb -0.18 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 3hv8 s TYR 474 CO 0.18 -0.01 0.62 -2.00 -1.57 0.00 0.00 175.55 172.77 3hv8 s GLU 475 N -0.86 4.34 -0.09 -0.62 2.12 0.05 -0.70 118.70 122.93 3hv8 s GLU 475 Ca -0.00 0.79 -0.21 0.00 0.36 0.00 0.00 54.97 55.91 3hv8 s GLU 475 Cb -0.06 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 3hv8 s GLU 475 CO 0.00 0.36 0.58 0.08 -0.54 0.00 0.00 175.26 175.74 3hv8 s VAL 476 N -0.18 5.12 -0.03 3.70 1.01 -0.04 -0.78 120.40 129.21 3hv8 s VAL 476 Ca 0.32 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.53 3hv8 s VAL 476 Cb -0.19 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3hv8 s VAL 476 CO 0.18 0.29 -0.15 -0.76 0.00 0.00 0.00 175.10 174.66 3hv8 s LEU 477 N 0.72 1.90 -0.08 3.92 1.43 0.15 -4.57 118.68 122.16 3hv8 s LEU 477 Ca 0.31 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3hv8 s LEU 477 Cb -0.16 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 3hv8 s LEU 477 CO 0.14 0.14 0.30 -0.22 0.23 0.00 0.00 176.35 176.94 3hv8 s LEU 478 N 0.02 4.39 -0.03 1.79 2.96 -1.26 -0.48 118.68 126.07 3hv8 s LEU 478 Ca -0.02 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 3hv8 s LEU 478 Cb -0.10 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 3hv8 s LEU 478 CO 0.01 0.29 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.03 3hv8 s ARG 479 N -0.65 1.60 0.25 1.98 1.81 -0.16 -4.23 118.95 119.54 3hv8 s ARG 479 Ca 0.19 -0.61 -0.27 0.00 -1.72 0.00 0.00 55.73 53.33 3hv8 s ARG 479 Cb -0.14 -1.45 -0.09 0.00 -0.45 0.00 0.00 34.95 32.81 3hv8 s ARG 479 CO 0.08 0.30 0.88 -1.17 -0.68 0.00 0.00 175.30 174.71 3hv8 s LEU 480 N -0.15 4.51 -0.32 2.53 2.96 -0.46 -0.54 118.68 127.22 3hv8 s LEU 480 Ca 0.01 1.79 -0.10 0.00 -0.22 0.00 0.00 54.13 55.61 3hv8 s LEU 480 Cb -0.09 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3hv8 s LEU 480 CO 0.01 0.09 0.17 -0.76 -1.32 0.00 0.00 176.35 174.54 3hv8 s LEU 481 N -1.53 4.21 0.97 -0.68 1.43 -0.03 -0.28 118.68 122.78 3hv8 s LEU 481 Ca 0.43 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 3hv8 s LEU 481 Cb -0.22 -2.03 0.17 0.00 0.03 0.00 0.00 46.19 44.14 3hv8 s LEU 481 CO 0.27 -0.21 1.12 0.54 0.23 0.00 0.00 176.35 178.30 3hv8 s ASN 482 N 1.63 2.94 0.31 2.29 6.03 -0.55 -4.77 114.94 122.81 3hv8 s ASN 482 Ca 0.05 1.01 0.17 0.00 -1.03 0.00 0.00 52.86 53.06 3hv8 s ASN 482 Cb -0.17 -1.59 0.94 0.00 -3.03 0.00 0.00 41.25 37.40 3hv8 s ASN 482 CO 0.07 -2.91 1.48 -2.65 -2.03 0.00 0.00 177.10 171.06 3hv8 n PRO 483 N -4.01 0.11 -0.08 3.55 -0.02 -1.26 -0.16 135.00 133.13 3hv8 n PRO 483 Ca 0.06 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3hv8 n PRO 483 Cb 0.59 -2.00 0.23 0.00 -0.02 0.00 0.00 33.50 32.29 3hv8 n PRO 483 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hv8 n GLN 484 N -2.14 2.25 -0.60 -0.52 3.00 -1.26 -4.95 117.38 113.17 3hv8 n GLN 484 Ca -0.01 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 3hv8 n GLN 484 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.92 3hv8 n GLN 484 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hv8 n GLY 485 N 1.37 0.69 3.82 1.08 0.00 0.77 -5.06 105.19 107.86 3hv8 n GLY 485 Ca 0.17 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3hv8 n GLY 485 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hv8 s GLN 486 N -0.56 4.19 -0.07 1.61 -0.21 -1.26 -4.79 119.66 118.57 3hv8 s GLN 486 Ca 0.00 0.79 -0.30 0.00 0.02 0.00 0.00 55.36 55.87 3hv8 s GLN 486 Cb 0.00 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 3hv8 s GLN 486 CO 0.00 0.39 1.13 -1.21 -2.12 0.00 0.00 175.29 173.48 3hv8 s GLU 487 N -2.05 4.38 -0.14 2.91 2.02 -1.26 -1.49 118.70 123.08 3hv8 s GLU 487 Ca 0.43 1.58 -0.00 0.00 0.02 0.00 0.00 54.97 57.00 3hv8 s GLU 487 Cb -0.16 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 3hv8 s GLU 487 CO 0.20 -0.38 -0.13 0.08 0.02 0.00 0.00 175.26 175.04 3hv8 s VAL 488 N 2.07 2.96 0.59 2.63 1.01 0.62 -4.95 120.40 125.32 3hv8 s VAL 488 Ca 0.53 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 3hv8 s VAL 488 Cb -0.23 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3hv8 s VAL 488 CO 0.21 0.52 1.04 -2.16 0.00 0.00 0.00 175.10 174.71 3hv8 s PRO 489 N 0.48 3.42 0.44 2.72 0.04 -1.26 -1.35 135.00 139.49 3hv8 s PRO 489 Ca -0.10 1.09 0.21 0.00 0.04 0.00 0.00 61.00 62.25 3hv8 s PRO 489 Cb -0.16 -2.05 1.18 0.00 0.04 0.00 0.00 34.50 33.51 3hv8 s PRO 489 CO 0.04 -0.72 1.84 -1.35 0.04 0.00 0.00 177.00 176.86 3hv8 h PRO 490 N 0.35 0.30 -0.90 0.56 0.11 -1.99 -1.17 132.00 129.27 3hv8 h PRO 490 Ca -0.46 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.85 3hv8 h PRO 490 Cb 1.21 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3hv8 h PRO 490 CO 0.58 0.20 0.61 0.00 -0.21 0.00 0.00 178.00 179.18 3hv8 h ALA 491 N 1.59 2.37 -0.01 -0.75 0.00 -1.96 -0.59 119.26 119.92 3hv8 h ALA 491 Ca 0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3hv8 h ALA 491 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hv8 h ALA 491 CO -0.17 -0.65 -0.24 0.39 0.00 0.00 0.00 179.25 178.58 3hv8 n GLU 492 N -4.45 0.74 0.00 0.00 1.02 -0.44 -4.62 120.64 112.89 3hv8 n GLU 492 Ca 0.19 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3hv8 n GLU 492 Cb 0.77 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3hv8 n GLU 492 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3hv8 n PHE 493 N -0.77 0.00 -0.26 -0.32 1.16 -0.74 -4.89 117.46 111.63 3hv8 n PHE 493 Ca 0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.65 3hv8 n PHE 493 Cb 0.33 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.30 3hv8 n PHE 493 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3hv8 h LEU 494 N 0.00 1.05 -0.10 5.98 3.38 -1.39 -0.25 115.31 123.98 3hv8 h LEU 494 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hv8 h LEU 494 Cb 0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3hv8 h LEU 494 CO 0.00 0.94 0.06 1.12 0.09 0.00 0.00 178.44 180.65 3hv8 h HIS 495 N 1.10 0.12 -0.38 1.13 2.07 -1.85 -1.51 115.15 115.83 3hv8 h HIS 495 Ca 0.25 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.66 3hv8 h HIS 495 Cb 0.23 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 3hv8 h HIS 495 CO 0.02 0.08 -0.20 0.00 -3.07 0.00 0.00 177.93 174.76 3hv8 h ALA 496 N 1.03 0.92 -0.17 6.11 0.00 -1.86 -2.47 119.26 122.81 3hv8 h ALA 496 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hv8 h ALA 496 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hv8 h ALA 496 CO -0.01 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.89 3hv8 h ALA 497 N 1.12 0.17 -0.61 0.00 0.00 -0.81 -1.18 119.26 117.94 3hv8 h ALA 497 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hv8 h ALA 497 Cb 0.70 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hv8 h ALA 497 CO 0.05 -0.41 0.39 -0.22 0.00 0.00 0.00 179.25 179.06 3hv8 h LYS 498 N 0.09 0.81 -0.02 0.00 3.64 -1.04 0.21 116.57 120.27 3hv8 h LYS 498 Ca 0.08 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hv8 h LYS 498 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3hv8 h LYS 498 CO -0.11 0.55 -0.19 1.49 -2.27 0.00 0.00 179.45 178.93 3hv8 h GLU 499 N 0.83 0.03 -0.22 1.90 4.57 -1.09 -1.90 114.58 118.70 3hv8 h GLU 499 Ca 0.22 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3hv8 h GLU 499 Cb -0.07 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3hv8 h GLU 499 CO -0.05 0.22 0.00 0.00 -1.18 0.00 0.00 179.01 178.00 3hv8 n ALA 500 N -2.50 2.50 -1.45 2.92 0.00 -0.48 -4.93 120.51 116.57 3hv8 n ALA 500 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 3hv8 n ALA 500 Cb 0.26 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3hv8 n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hv8 n GLY 501 N 1.15 0.42 0.50 0.00 0.00 -0.71 -4.94 105.19 101.62 3hv8 n GLY 501 Ca 0.16 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.31 3hv8 n GLY 501 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hv8 n LEU 502 N -0.20 2.00 -0.10 0.99 4.77 0.00 -4.70 117.00 119.76 3hv8 n LEU 502 Ca -0.02 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.92 3hv8 n LEU 502 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3hv8 n LEU 502 CO 0.02 0.37 0.67 0.00 -1.33 0.00 0.00 177.39 177.12 3hv8 h ALA 503 N 2.64 0.79 -0.48 -1.18 0.00 -1.83 -1.62 119.26 117.58 3hv8 h ALA 503 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3hv8 h ALA 503 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hv8 h ALA 503 CO 0.00 0.65 0.14 0.93 0.00 0.00 0.00 179.25 180.97 3hv8 h GLU 504 N 0.72 0.75 -0.84 0.00 3.07 -1.91 -1.53 114.58 114.84 3hv8 h GLU 504 Ca 0.09 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 3hv8 h GLU 504 Cb 0.80 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.56 3hv8 h GLU 504 CO 0.07 0.71 0.46 0.87 -1.40 0.00 0.00 179.01 179.72 3hv8 h LYS 505 N 0.64 1.17 -0.42 2.33 1.57 -1.81 -0.08 116.57 119.97 3hv8 h LYS 505 Ca 0.15 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hv8 h LYS 505 Cb 0.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3hv8 h LYS 505 CO -0.00 0.86 0.23 0.82 -0.57 0.00 0.00 179.45 180.78 3hv8 h ILE 506 N 1.17 1.16 -0.88 1.86 2.04 -1.11 -1.53 117.51 120.21 3hv8 h ILE 506 Ca 0.30 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hv8 h ILE 506 Cb 0.03 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3hv8 h ILE 506 CO -0.05 0.17 0.53 0.44 0.00 0.00 0.00 178.15 179.24 3hv8 h ASP 507 N 0.55 1.06 -0.50 1.72 3.32 -0.82 -1.20 116.42 120.55 3hv8 h ASP 507 Ca 0.15 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3hv8 h ASP 507 Cb 0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3hv8 h ASP 507 CO -0.02 0.82 0.10 0.03 -1.72 0.00 0.00 179.24 178.44 3hv8 h ARG 508 N 1.21 0.87 -0.41 3.56 2.47 -0.78 0.14 114.38 121.44 3hv8 h ARG 508 Ca 0.32 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3hv8 h ARG 508 Cb -0.05 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 3hv8 h ARG 508 CO -0.06 0.80 0.23 2.35 0.56 0.00 0.00 179.97 183.85 3hv8 h TRP 509 N 0.83 0.56 -0.27 3.04 7.01 -0.65 0.14 115.95 126.60 3hv8 h TRP 509 Ca 0.18 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3hv8 h TRP 509 Cb 0.35 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3hv8 h TRP 509 CO 0.02 0.42 0.07 0.28 -2.79 0.00 0.00 178.44 176.45 3hv8 h VAL 510 N 0.53 1.21 -0.32 2.65 2.07 -0.82 -1.97 116.25 119.60 3hv8 h VAL 510 Ca 0.14 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3hv8 h VAL 510 Cb 0.05 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3hv8 h VAL 510 CO -0.02 0.22 0.04 0.40 0.02 0.00 0.00 177.57 178.23 3hv8 h ILE 511 N 0.27 1.24 -0.63 4.57 2.04 -0.83 0.11 117.51 124.28 3hv8 h ILE 511 Ca 0.09 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3hv8 h ILE 511 Cb 0.27 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3hv8 h ILE 511 CO -0.00 0.28 0.39 0.25 0.00 0.00 0.00 178.15 179.07 3hv8 h LEU 512 N 0.36 0.64 -0.42 1.44 5.85 -0.67 -0.82 115.31 121.70 3hv8 h LEU 512 Ca 0.10 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 3hv8 h LEU 512 Cb 0.38 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hv8 h LEU 512 CO 0.01 0.44 -0.78 0.78 -0.34 0.00 0.00 178.44 178.55 3hv8 h ASN 513 N 0.77 0.22 -0.34 1.25 4.21 -1.19 -2.26 115.58 118.24 3hv8 h ASN 513 Ca 0.25 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 3hv8 h ASN 513 Cb 0.02 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3hv8 h ASN 513 CO -0.10 0.91 0.12 0.28 -1.29 0.00 0.00 177.43 177.35 3hv8 h SER 514 N 0.11 0.48 -0.69 5.81 0.02 -0.44 -0.35 113.55 118.49 3hv8 h SER 514 Ca -0.03 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3hv8 h SER 514 Cb 1.36 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3hv8 h SER 514 CO 0.12 0.53 0.41 0.40 -1.14 0.00 0.00 176.83 177.15 3hv8 h ILE 515 N 0.40 1.03 0.62 3.27 2.04 -1.07 -0.28 117.51 123.51 3hv8 h ILE 515 Ca 0.11 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3hv8 h ILE 515 Cb 0.21 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3hv8 h ILE 515 CO -0.01 0.14 -0.30 0.50 0.00 0.00 0.00 178.15 178.49 3hv8 h LYS 516 N 0.78 -0.80 -0.41 2.37 3.64 -1.15 -1.50 116.57 119.50 3hv8 h LYS 516 Ca 0.30 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 3hv8 h LYS 516 Cb 0.11 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3hv8 h LYS 516 CO -0.15 -0.49 0.28 -0.07 -2.27 0.00 0.00 179.45 176.75 3hv8 h LEU 517 N -1.11 0.28 0.68 5.20 3.38 -1.01 -1.70 115.31 121.03 3hv8 h LEU 517 Ca -0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hv8 h LEU 517 Cb 0.68 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hv8 h LEU 517 CO 0.14 0.18 -0.32 0.25 0.09 0.00 0.00 178.44 178.78 3hv8 h LEU 518 N 0.32 -0.77 -0.96 1.67 5.85 -1.03 -3.12 115.31 117.27 3hv8 h LEU 518 Ca 0.18 -0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.10 3hv8 h LEU 518 Cb 0.31 0.20 -0.18 0.00 0.37 0.00 0.00 40.66 41.36 3hv8 h LEU 518 CO -0.04 -0.41 -0.20 0.00 -0.34 0.00 0.00 178.44 177.45 3hv8 h ALA 519 N -1.06 0.71 0.00 1.25 0.00 -0.40 -3.50 119.26 116.26 3hv8 h ALA 519 Ca -0.09 0.37 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3hv8 h ALA 519 Cb 0.72 0.71 0.05 0.00 0.00 0.00 0.00 17.79 19.27 3hv8 h ALA 519 CO 0.15 -0.41 0.90 0.39 0.00 0.00 0.00 179.25 180.28 3hv8 n GLU 520 N -5.59 0.00 -0.04 0.00 4.71 -0.79 -5.12 120.64 113.82 3hv8 n GLU 520 Ca 0.16 -0.52 0.00 0.00 -0.01 0.00 0.00 57.16 56.79 3hv8 n GLU 520 Cb 0.52 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 3hv8 n GLU 520 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3hv8 n HIS 526 N 5.69 0.00 -1.43 -0.32 -0.00 -1.26 -5.11 115.22 112.80 3hv8 n HIS 526 Ca 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.56 3hv8 n HIS 526 Cb 0.16 -0.53 -0.06 0.00 -0.00 0.00 0.00 29.99 29.56 3hv8 n HIS 526 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 3hv8 n GLN 527 N 1.88 3.33 -2.71 -0.41 7.27 -1.26 -4.95 117.38 120.53 3hv8 n GLN 527 Ca 0.00 -2.24 -0.41 0.00 0.07 0.00 0.00 57.00 54.42 3hv8 n GLN 527 Cb 0.00 -2.47 -0.05 0.00 2.41 0.00 0.00 30.24 30.13 3hv8 n GLN 527 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3hv8 s THR 528 N 0.45 4.27 -0.03 1.69 2.01 -1.26 -0.73 115.64 122.04 3hv8 s THR 528 Ca 0.64 2.02 0.04 0.00 0.31 0.00 0.00 61.69 64.70 3hv8 s THR 528 Cb 0.24 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 3hv8 s THR 528 CO -0.08 0.38 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.35 3hv8 s LYS 529 N -0.48 1.32 -0.10 4.92 2.20 -0.81 -4.84 119.74 121.95 3hv8 s LYS 529 Ca 0.45 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 3hv8 s LYS 529 Cb -0.25 -1.20 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 3hv8 s LYS 529 CO 0.31 0.21 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.87 3hv8 s LEU 530 N 0.01 2.73 -0.29 5.43 1.43 -0.58 -1.24 118.68 126.16 3hv8 s LEU 530 Ca -0.01 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3hv8 s LEU 530 Cb -0.09 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3hv8 s LEU 530 CO 0.01 0.24 0.34 -0.36 0.23 0.00 0.00 176.35 176.81 3hv8 s PHE 531 N -0.09 3.23 -0.11 0.29 0.08 0.12 -0.62 117.98 120.88 3hv8 s PHE 531 Ca -0.02 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.31 3hv8 s PHE 531 Cb -0.14 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.75 3hv8 s PHE 531 CO 0.04 -0.27 -0.19 0.08 -0.10 0.00 0.00 175.22 174.78 3hv8 s VAL 532 N 2.01 1.75 0.44 -0.44 1.01 0.49 -0.86 120.40 124.80 3hv8 s VAL 532 Ca 0.13 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 3hv8 s VAL 532 Cb -0.16 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 3hv8 s VAL 532 CO 0.11 0.49 1.15 -1.00 0.00 0.00 0.00 175.10 175.85 3hv8 s HIS 533 N 0.74 2.97 -0.08 5.22 3.76 -1.26 -0.45 115.29 126.19 3hv8 s HIS 533 Ca -0.11 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.41 3hv8 s HIS 533 Cb -0.16 -3.34 -0.01 0.00 1.11 0.00 0.00 32.58 30.18 3hv8 s HIS 533 CO 0.02 -1.34 -0.24 -0.51 -0.85 0.00 0.00 174.74 171.82 3hv8 s LEU 534 N -2.88 2.13 0.79 0.89 1.43 -0.73 -4.82 118.68 115.50 3hv8 s LEU 534 Ca 0.62 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3hv8 s LEU 534 Cb -0.28 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.60 3hv8 s LEU 534 CO 0.34 0.22 1.10 -0.94 0.23 0.00 0.00 176.35 177.30 3hv8 s SER 535 N 0.01 4.55 0.49 2.29 1.04 -1.26 -4.69 113.70 116.13 3hv8 s SER 535 Ca -0.08 1.28 0.16 0.00 0.48 0.00 0.00 55.95 57.79 3hv8 s SER 535 Cb -0.15 -2.02 1.17 0.00 0.10 0.00 0.00 66.02 65.12 3hv8 s SER 535 CO 0.05 -1.93 2.09 0.77 0.98 0.00 0.00 173.24 175.20 3hv8 h SER 536 N -1.06 0.00 -0.77 7.02 4.64 -1.98 -1.86 113.55 119.55 3hv8 h SER 536 Ca -0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3hv8 h SER 536 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3hv8 h SER 536 CO 0.60 0.07 0.42 0.00 -0.87 0.00 0.00 176.83 177.04 3hv8 h ALA 537 N 1.93 0.99 -0.08 5.18 0.00 -1.94 -2.12 119.26 123.21 3hv8 h ALA 537 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hv8 h ALA 537 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hv8 h ALA 537 CO 0.01 0.50 -0.31 0.77 0.00 0.00 0.00 179.25 180.22 3hv8 h SER 538 N 1.07 0.14 -0.15 0.00 0.02 -1.68 -2.27 113.55 110.68 3hv8 h SER 538 Ca 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3hv8 h SER 538 Cb 0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hv8 h SER 538 CO -0.04 0.45 0.08 0.25 -1.14 0.00 0.00 176.83 176.43 3hv8 h LEU 539 N 0.13 0.22 -1.50 5.07 5.85 -1.02 -2.37 115.31 121.68 3hv8 h LEU 539 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hv8 h LEU 539 Cb 0.62 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hv8 h LEU 539 CO 0.04 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 3hv8 n GLN 540 N -4.47 2.03 -3.14 1.25 6.02 -0.88 -4.61 117.38 113.57 3hv8 n GLN 540 Ca -0.00 -1.50 -0.43 0.00 -0.01 0.00 0.00 57.00 55.05 3hv8 n GLN 540 Cb 0.11 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 3hv8 n GLN 540 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hv8 s ASP 541 N -1.92 6.24 0.22 1.08 3.68 -0.89 -4.91 116.67 120.17 3hv8 s ASP 541 Ca 0.33 -0.78 0.20 0.00 2.13 0.00 0.00 52.55 54.43 3hv8 s ASP 541 Cb 0.20 -2.30 0.90 0.00 -1.45 0.00 0.00 42.92 40.28 3hv8 s ASP 541 CO 0.31 -0.87 1.60 -0.81 0.13 0.00 0.00 175.17 175.53 3hv8 n PRO 542 N 6.21 0.14 0.00 4.34 -0.04 -1.26 -2.03 135.00 142.36 3hv8 n PRO 542 Ca -0.05 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3hv8 n PRO 542 Cb 0.46 -1.82 0.40 0.00 -0.04 0.00 0.00 33.50 32.51 3hv8 n PRO 542 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hv8 n GLY 543 N -0.52 -1.31 0.10 0.55 0.00 -1.26 -4.34 105.19 98.40 3hv8 n GLY 543 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3hv8 n GLY 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hv8 h LEU 544 N 0.05 -0.12 0.17 0.99 5.85 -1.74 -2.20 115.31 118.32 3hv8 h LEU 544 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3hv8 h LEU 544 Cb 0.49 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3hv8 h LEU 544 CO 0.00 0.11 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.05 3hv8 h LEU 545 N -0.35 -0.20 -0.74 2.25 3.38 -1.79 0.20 115.31 118.07 3hv8 h LEU 545 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hv8 h LEU 545 Cb 0.29 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 3hv8 h LEU 545 CO 0.02 -0.14 0.40 -0.65 0.09 0.00 0.00 178.44 178.16 3hv8 h PRO 546 N -0.23 0.67 -0.42 1.13 0.11 -1.79 -0.90 132.00 130.57 3hv8 h PRO 546 Ca -0.02 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3hv8 h PRO 546 Cb 0.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3hv8 h PRO 546 CO 0.04 0.44 -0.01 2.35 -0.21 0.00 0.00 178.00 180.61 3hv8 h TRP 547 N 0.69 0.82 -0.87 0.65 7.01 -1.07 -2.90 115.95 120.26 3hv8 h TRP 547 Ca 0.35 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 3hv8 h TRP 547 Cb 0.31 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 3hv8 h TRP 547 CO -0.08 0.82 0.44 1.25 -2.79 0.00 0.00 178.44 178.07 3hv8 h LEU 548 N 0.58 1.12 -0.39 0.65 5.85 -0.13 -0.15 115.31 122.85 3hv8 h LEU 548 Ca 0.12 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3hv8 h LEU 548 Cb 0.49 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3hv8 h LEU 548 CO 0.02 0.93 0.01 1.23 -0.34 0.00 0.00 178.44 180.30 3hv8 h GLY 549 N 1.23 0.40 1.59 3.75 0.00 -1.07 -0.23 103.07 108.75 3hv8 h GLY 549 Ca 0.30 0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.51 3hv8 h GLY 549 CO -0.04 -0.09 -0.57 -2.08 0.00 0.00 0.00 176.54 173.76 3hv8 h VAL 550 N 0.12 1.35 -0.45 4.60 2.07 -1.23 -2.81 116.25 119.88 3hv8 h VAL 550 Ca 0.19 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 65.75 3hv8 h VAL 550 Cb 0.26 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3hv8 h VAL 550 CO -0.31 0.57 -0.11 0.00 0.02 0.00 0.00 177.57 177.74 3hv8 h ALA 551 N 1.06 0.95 0.06 1.67 0.00 -0.49 -1.67 119.26 120.85 3hv8 h ALA 551 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hv8 h ALA 551 Cb 1.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hv8 h ALA 551 CO 0.10 0.61 -0.03 -0.07 0.00 0.00 0.00 179.25 179.86 3hv8 h LEU 552 N 0.74 -0.07 -0.75 0.00 3.38 -1.05 -3.09 115.31 114.47 3hv8 h LEU 552 Ca 0.12 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hv8 h LEU 552 Cb 0.60 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3hv8 h LEU 552 CO 0.04 0.23 0.42 0.11 0.09 0.00 0.00 178.44 179.33 3hv8 h LYS 553 N -0.38 0.73 -0.12 1.13 1.57 -1.41 -1.02 116.57 117.07 3hv8 h LYS 553 Ca -0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hv8 h LYS 553 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hv8 h LYS 553 CO 0.01 0.48 0.08 0.00 -0.57 0.00 0.00 179.45 179.46 3hv8 h ALA 554 N 1.40 1.99 -0.01 3.86 0.00 -1.29 -1.32 119.26 123.89 3hv8 h ALA 554 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hv8 h ALA 554 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hv8 h ALA 554 CO -0.21 -0.00 -0.63 0.00 0.00 0.00 0.00 179.25 178.40 3hv8 n ALA 555 N -2.54 3.92 -3.36 0.00 0.00 -0.81 -4.98 120.51 112.75 3hv8 n ALA 555 Ca -0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.71 3hv8 n ALA 555 Cb 0.13 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.73 3hv8 n ALA 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hv8 n ARG 556 N -0.94 -1.90 -3.32 0.00 5.12 -0.45 -4.94 116.66 110.23 3hv8 n ARG 556 Ca 0.07 0.80 -0.38 0.00 -1.93 0.00 0.00 57.85 56.41 3hv8 n ARG 556 Cb 0.37 -5.32 -0.06 0.00 -1.16 0.00 0.00 32.46 26.29 3hv8 n ARG 556 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hv8 s LEU 557 N -5.59 4.35 0.76 0.55 2.96 -1.09 -5.06 118.68 115.56 3hv8 s LEU 557 Ca 0.43 0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 3hv8 s LEU 557 Cb -0.09 -2.73 0.06 0.00 0.50 0.00 0.00 46.19 43.93 3hv8 s LEU 557 CO 0.78 0.09 1.18 -2.84 -1.32 0.00 0.00 176.35 174.23 3hv8 s PRO 558 N 0.10 1.99 0.74 0.98 0.02 -1.26 -4.93 135.00 132.64 3hv8 s PRO 558 Ca 0.27 1.65 -0.13 0.00 0.02 0.00 0.00 61.00 62.81 3hv8 s PRO 558 Cb -0.16 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.57 3hv8 s PRO 558 CO 0.13 -1.93 1.12 -2.14 -0.33 0.00 0.00 177.00 173.85 3hv8 s PRO 559 N -4.13 2.30 -1.30 5.54 0.02 -1.26 -3.60 135.00 132.57 3hv8 s PRO 559 Ca 0.71 1.38 -0.05 0.00 0.02 0.00 0.00 61.00 63.07 3hv8 s PRO 559 Cb -0.26 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.36 3hv8 s PRO 559 CO 0.48 -1.64 0.60 0.39 -0.33 0.00 0.00 177.00 176.50 3hv8 n GLU 560 N -3.07 -3.24 -0.07 5.54 -0.58 -0.05 -4.91 120.64 114.27 3hv8 n GLU 560 Ca 0.11 0.49 -0.07 0.00 -0.42 0.00 0.00 57.16 57.26 3hv8 n GLU 560 Cb 0.52 -4.64 -0.10 0.00 -0.57 0.00 0.00 31.44 26.65 3hv8 n GLU 560 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3hv8 n SER 561 N -2.93 1.98 -4.45 1.62 7.64 -1.24 -4.90 113.62 111.34 3hv8 n SER 561 Ca -0.25 -0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.29 3hv8 n SER 561 Cb 0.66 0.63 -0.14 0.00 -1.01 0.00 0.00 64.21 64.35 3hv8 n SER 561 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hv8 s LEU 562 N -5.13 2.68 -0.17 -3.43 1.02 -1.26 -1.53 118.68 110.86 3hv8 s LEU 562 Ca -0.09 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.83 3hv8 s LEU 562 Cb 0.04 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.72 3hv8 s LEU 562 CO 0.50 0.31 -0.19 -0.69 0.02 0.00 0.00 176.35 176.31 3hv8 s VAL 563 N -0.53 1.94 -0.07 -1.59 1.01 0.21 -1.26 120.40 120.11 3hv8 s VAL 563 Ca 0.07 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3hv8 s VAL 563 Cb -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3hv8 s VAL 563 CO 0.01 0.52 0.47 -0.36 0.00 0.00 0.00 175.10 175.75 3hv8 s PHE 564 N 1.33 3.59 -0.23 5.22 0.08 -0.21 -0.38 117.98 127.37 3hv8 s PHE 564 Ca 0.05 0.96 -0.03 0.00 0.12 0.00 0.00 56.93 58.02 3hv8 s PHE 564 Cb -0.13 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3hv8 s PHE 564 CO -0.12 0.31 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.12 3hv8 s GLN 565 N 0.08 3.17 -0.10 0.44 0.74 0.40 -0.37 119.66 124.02 3hv8 s GLN 565 Ca 0.26 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.91 3hv8 s GLN 565 Cb -0.16 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 3hv8 s GLN 565 CO 0.12 -0.28 -0.10 0.42 -0.55 0.00 0.00 175.29 174.90 3hv8 s ILE 566 N 1.42 3.41 0.64 -2.34 1.01 -0.35 -1.77 121.20 123.23 3hv8 s ILE 566 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 3hv8 s ILE 566 Cb -0.15 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 3hv8 s ILE 566 CO -0.04 0.56 1.15 -0.94 0.00 0.00 0.00 174.94 175.67 3hv8 s SER 567 N -0.23 5.01 0.22 3.58 1.04 -1.26 -0.98 113.70 121.07 3hv8 s SER 567 Ca 0.02 2.18 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 3hv8 s SER 567 Cb -0.13 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.69 3hv8 s SER 567 CO 0.03 -1.70 1.82 -0.08 0.98 0.00 0.00 173.24 174.29 3hv8 h GLU 568 N 0.30 0.77 -0.47 4.02 4.81 -1.11 0.44 114.58 123.34 3hv8 h GLU 568 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3hv8 h GLU 568 Cb 1.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3hv8 h GLU 568 CO 0.54 0.51 0.30 0.00 -0.73 0.00 0.00 179.01 179.63 3hv8 h ALA 569 N 1.36 0.60 -0.33 2.92 0.00 -1.88 -1.82 119.26 120.11 3hv8 h ALA 569 Ca 0.32 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3hv8 h ALA 569 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hv8 h ALA 569 CO -0.17 0.06 -0.38 -0.44 0.00 0.00 0.00 179.25 178.32 3hv8 h ASP 570 N 0.63 0.83 -0.78 0.00 3.45 -1.80 0.21 116.42 118.96 3hv8 h ASP 570 Ca 0.17 -0.37 0.02 0.00 0.43 0.00 0.00 57.03 57.28 3hv8 h ASP 570 Cb -0.05 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.45 3hv8 h ASP 570 CO -0.04 1.11 0.51 0.00 -1.57 0.00 0.00 179.24 179.26 3hv8 h ALA 571 N 0.93 1.49 0.20 3.45 0.00 -0.67 -0.95 119.26 123.70 3hv8 h ALA 571 Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 3hv8 h ALA 571 Cb 0.93 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.46 3hv8 h ALA 571 CO 0.09 0.45 -1.29 1.15 0.00 0.00 0.00 179.25 179.65 3hv8 h THR 572 N 1.00 1.33 -0.17 0.00 2.02 -1.12 -2.97 112.91 112.99 3hv8 h THR 572 Ca 0.30 -2.59 -0.10 0.00 0.77 0.00 0.00 66.41 64.79 3hv8 h THR 572 Cb -0.04 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3hv8 h THR 572 CO -0.08 0.77 -0.32 0.28 0.37 0.00 0.00 175.52 176.55 3hv8 h SER 573 N 0.08 0.35 -1.54 4.18 0.02 -0.74 -3.29 113.55 112.62 3hv8 h SER 573 Ca -0.22 -0.13 -0.54 0.00 -0.84 0.00 0.00 61.79 60.07 3hv8 h SER 573 Cb 2.00 -0.10 -0.41 0.00 0.14 0.00 0.00 62.40 64.03 3hv8 h SER 573 CO 0.24 0.66 -0.84 -1.22 -1.14 0.00 0.00 176.83 174.53 3hv8 n TYR 574 N -4.09 2.88 -0.08 3.45 4.01 -0.38 -4.93 117.16 118.01 3hv8 n TYR 574 Ca -0.01 -3.21 -0.09 0.00 -0.16 0.00 0.00 57.90 54.44 3hv8 n TYR 574 Cb 0.43 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.23 3hv8 n TYR 574 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hv8 h LEU 575 N 2.74 0.33 -0.72 7.72 5.85 -1.59 0.86 115.31 130.50 3hv8 h LEU 575 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hv8 h LEU 575 Cb 0.92 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3hv8 h LEU 575 CO 0.76 0.24 0.45 0.11 -0.34 0.00 0.00 178.44 179.66 3hv8 h LYS 576 N 0.40 0.97 -0.25 1.25 1.57 -1.92 0.45 116.57 119.04 3hv8 h LYS 576 Ca 0.11 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3hv8 h LYS 576 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3hv8 h LYS 576 CO -0.03 0.66 -0.36 1.96 -0.57 0.00 0.00 179.45 181.12 3hv8 h GLN 577 N 0.98 0.55 -0.30 3.15 7.50 -1.75 -1.64 115.11 123.60 3hv8 h GLN 577 Ca 0.26 -0.26 -0.14 0.00 0.50 0.00 0.00 58.65 59.01 3hv8 h GLN 577 Cb -0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3hv8 h GLN 577 CO -0.05 0.83 -0.38 0.00 -1.50 0.00 0.00 178.83 177.72 3hv8 h ALA 578 N 1.15 0.76 -0.00 3.87 0.00 -0.47 0.45 119.26 125.01 3hv8 h ALA 578 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3hv8 h ALA 578 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hv8 h ALA 578 CO 0.07 0.66 -0.06 -0.22 0.00 0.00 0.00 179.25 179.69 3hv8 h LYS 579 N 0.59 -0.10 -0.53 0.00 3.64 -0.71 -0.28 116.57 119.18 3hv8 h LYS 579 Ca 0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3hv8 h LYS 579 Cb 0.92 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3hv8 h LYS 579 CO 0.08 -0.07 0.14 1.96 -2.27 0.00 0.00 179.45 179.29 3hv8 h GLN 580 N -0.11 0.84 -0.15 1.90 4.20 -1.12 -1.75 115.11 118.92 3hv8 h GLN 580 Ca 0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3hv8 h GLN 580 Cb 0.14 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hv8 h GLN 580 CO -0.07 0.79 0.05 1.25 -0.67 0.00 0.00 178.83 180.18 3hv8 h LEU 581 N 0.73 0.22 -1.06 1.46 5.85 -0.81 -1.50 115.31 120.21 3hv8 h LEU 581 Ca 0.17 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3hv8 h LEU 581 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hv8 h LEU 581 CO -0.00 0.36 -0.30 0.71 -0.34 0.00 0.00 178.44 178.87 3hv8 h THR 582 N 0.06 1.27 -0.62 1.05 1.35 -0.97 0.12 112.91 115.16 3hv8 h THR 582 Ca 0.05 -1.28 -0.06 0.00 -0.55 0.00 0.00 66.41 64.58 3hv8 h THR 582 Cb 0.22 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 3hv8 h THR 582 CO -0.00 0.39 0.17 1.56 -0.25 0.00 0.00 175.52 177.39 3hv8 h GLN 583 N 0.26 0.98 -0.46 4.72 4.20 -1.24 -2.09 115.11 121.48 3hv8 h GLN 583 Ca 0.04 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 3hv8 h GLN 583 Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3hv8 h GLN 583 CO 0.05 0.88 -0.09 0.78 -0.67 0.00 0.00 178.83 179.78 3hv8 h GLY 584 N 0.90 0.87 1.19 3.46 0.00 -0.39 -2.44 103.07 106.67 3hv8 h GLY 584 Ca 0.20 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3hv8 h GLY 584 CO -0.00 0.60 0.41 1.41 0.00 0.00 0.00 176.54 178.96 3hv8 h LEU 585 N 0.74 0.95 -0.73 3.11 3.38 -0.60 -2.19 115.31 119.97 3hv8 h LEU 585 Ca 0.13 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hv8 h LEU 585 Cb 0.57 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3hv8 h LEU 585 CO 0.04 0.76 0.29 0.00 0.09 0.00 0.00 178.44 179.61 3hv8 h ALA 586 N 1.39 0.95 -0.82 1.53 0.00 -1.03 -0.64 119.26 120.63 3hv8 h ALA 586 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hv8 h ALA 586 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3hv8 h ALA 586 CO -0.04 0.58 0.54 1.15 0.00 0.00 0.00 179.25 181.48 3hv8 h THR 587 N 1.05 1.17 -0.16 0.00 2.02 -1.00 -1.42 112.91 114.57 3hv8 h THR 587 Ca 0.24 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3hv8 h THR 587 Cb 0.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3hv8 h THR 587 CO -0.02 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.25 3hv8 n LEU 588 N -4.43 0.91 -3.02 2.58 4.77 -0.77 -4.91 117.00 112.13 3hv8 n LEU 588 Ca 0.10 -0.45 -0.22 0.00 -0.03 0.00 0.00 56.01 55.41 3hv8 n LEU 588 Cb 0.07 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hv8 n LEU 588 CO 0.36 0.22 -0.02 1.41 -1.33 0.00 0.00 177.39 178.03 3hv8 n HIS 589 N -0.03 -1.91 -3.59 -1.77 8.25 -0.54 -4.89 115.22 110.74 3hv8 n HIS 589 Ca 0.07 0.49 -0.20 0.00 -0.26 0.00 0.00 57.72 57.83 3hv8 n HIS 589 Cb 0.15 -4.32 -0.02 0.00 1.12 0.00 0.00 29.99 26.93 3hv8 n HIS 589 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hv8 s GLN 591 N -4.11 2.26 0.05 0.00 -0.21 -0.38 -4.03 119.66 113.24 3hv8 s GLN 591 Ca 0.44 -1.94 -0.04 0.00 0.02 0.00 0.00 55.36 53.83 3hv8 s GLN 591 Cb -0.08 -1.99 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 3hv8 s GLN 591 CO 0.29 -0.30 0.06 0.00 -2.12 0.00 0.00 175.29 173.22 3hv8 s ALA 592 N -2.68 0.12 0.01 6.09 0.00 -1.26 -1.05 121.76 123.00 3hv8 s ALA 592 Ca 0.35 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3hv8 s ALA 592 Cb 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3hv8 s ALA 592 CO 0.20 -0.38 0.02 0.00 0.00 0.00 0.00 175.76 175.60 3hv8 s ALA 593 N -3.35 -0.00 -0.18 0.00 0.00 0.51 -1.45 121.76 117.28 3hv8 s ALA 593 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 3hv8 s ALA 593 Cb 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3hv8 s ALA 593 CO -0.08 -0.16 0.03 0.42 0.00 0.00 0.00 175.76 175.97 3hv8 s ILE 594 N -1.31 4.50 0.43 0.00 -1.09 -0.96 -1.22 121.20 121.55 3hv8 s ILE 594 Ca -0.14 -0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.22 3hv8 s ILE 594 Cb -0.09 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 3hv8 s ILE 594 CO -0.00 0.47 0.37 -0.94 -1.23 0.00 0.00 174.94 173.60 3hv8 s SER 595 N 0.41 4.96 -1.38 3.58 1.04 -0.16 -0.47 113.70 121.68 3hv8 s SER 595 Ca 0.01 -0.81 -0.07 0.00 0.48 0.00 0.00 55.95 55.56 3hv8 s SER 595 Cb -0.13 -0.49 0.04 0.00 0.10 0.00 0.00 66.02 65.54 3hv8 s SER 595 CO 0.01 -0.68 0.49 0.00 0.98 0.00 0.00 173.24 174.05 3hv8 n GLN 596 N -1.54 -3.89 -2.51 4.02 6.02 -0.79 -0.63 117.38 118.06 3hv8 n GLN 596 Ca 0.03 0.67 -0.39 0.00 -0.01 0.00 0.00 57.00 57.30 3hv8 n GLN 596 Cb 0.62 -5.43 -0.04 0.00 1.02 0.00 0.00 30.24 26.41 3hv8 n GLN 596 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3hv8 s PHE 597 N -3.01 3.45 0.00 1.08 5.36 -0.51 -4.29 117.98 120.05 3hv8 s PHE 597 Ca 0.32 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 3hv8 s PHE 597 Cb -0.16 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.31 3hv8 s PHE 597 CO 0.40 -0.57 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 3hv8 n GLY 598 N 0.84 1.04 0.04 13.12 0.00 -1.26 -1.15 105.19 117.81 3hv8 n GLY 598 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3hv8 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv8 s SER 600 N -4.78 2.66 0.14 0.00 1.04 -1.26 -4.96 113.70 106.54 3hv8 s SER 600 Ca -0.08 0.97 -0.16 0.00 0.48 0.00 0.00 55.95 57.16 3hv8 s SER 600 Cb 0.11 -1.52 -0.00 0.00 0.10 0.00 0.00 66.02 64.71 3hv8 s SER 600 CO 0.86 -3.08 1.73 0.25 0.98 0.00 0.00 173.24 173.98 3hv8 h LEU 601 N -1.86 0.51 -6.33 2.42 6.46 -2.05 -3.35 115.31 111.11 3hv8 h LEU 601 Ca -0.52 -0.11 -0.59 0.00 -0.12 0.00 0.00 57.88 56.54 3hv8 h LEU 601 Cb 1.32 -0.13 -0.40 0.00 -0.73 0.00 0.00 40.66 40.73 3hv8 h LEU 601 CO 0.55 0.48 -0.88 0.59 -0.62 0.00 0.00 178.44 178.56 3hv8 n ASN 602 N -4.71 1.15 0.26 1.25 3.02 -1.26 -4.99 115.26 109.98 3hv8 n ASN 602 Ca 0.00 -2.83 0.11 0.00 -0.03 0.00 0.00 54.58 51.83 3hv8 n ASN 602 Cb 0.10 -0.64 0.71 0.00 -0.61 0.00 0.00 39.78 39.33 3hv8 n ASN 602 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hv8 h PRO 603 N 4.76 0.00 0.00 3.52 0.11 -1.92 -2.04 132.00 136.43 3hv8 h PRO 603 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3hv8 h PRO 603 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hv8 h PRO 603 CO 0.55 0.11 0.00 0.74 -0.21 0.00 0.00 178.00 179.19 3hv8 h PHE 604 N 0.00 0.00 -0.84 0.65 0.04 -1.95 -3.23 116.94 111.61 3hv8 h PHE 604 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3hv8 h PHE 604 Cb 0.24 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3hv8 h PHE 604 CO 0.00 0.00 0.46 -0.91 -0.60 0.00 0.00 178.31 177.26 3hv8 h ASN 605 N 0.00 1.05 -0.63 2.17 -0.26 -1.81 -2.40 115.58 113.70 3hv8 h ASN 605 Ca 0.00 -0.10 0.08 0.00 -0.56 0.00 0.00 56.30 55.72 3hv8 h ASN 605 Cb 0.68 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.63 3hv8 h ASN 605 CO 0.00 0.85 0.42 0.00 -1.06 0.00 0.00 177.43 177.64 3hv8 h ALA 606 N 1.24 1.87 0.00 -0.83 0.00 -1.74 -1.53 119.26 118.28 3hv8 h ALA 606 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hv8 h ALA 606 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hv8 h ALA 606 CO -0.05 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.14 3hv8 h LEU 607 N 0.55 0.00 -0.52 0.00 3.38 -1.62 -1.86 115.31 115.24 3hv8 h LEU 607 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hv8 h LEU 607 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hv8 h LEU 607 CO -0.09 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.73 3hv8 n LYS 608 N -2.50 0.11 -0.00 1.13 5.02 -0.57 -3.65 118.16 117.69 3hv8 n LYS 608 Ca 0.01 0.41 0.01 0.00 -2.02 0.00 0.00 58.31 56.71 3hv8 n LYS 608 Cb 0.20 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 3hv8 n LYS 608 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hv8 n HIS 609 N -1.95 0.00 -4.20 2.13 8.25 -0.70 -5.06 115.22 113.68 3hv8 n HIS 609 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3hv8 n HIS 609 Cb 0.16 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3hv8 n HIS 609 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hv8 s LEU 610 N -3.17 3.46 -0.47 2.41 1.43 -1.20 -4.62 118.68 116.52 3hv8 s LEU 610 Ca -0.01 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3hv8 s LEU 610 Cb 0.01 -2.02 0.12 0.00 0.03 0.00 0.00 46.19 44.33 3hv8 s LEU 610 CO 0.07 0.01 0.35 -0.89 0.23 0.00 0.00 176.35 176.12 3hv8 s THR 611 N -2.09 4.24 -0.13 5.49 2.01 -1.26 -4.93 115.64 118.96 3hv8 s THR 611 Ca 0.31 -1.78 -0.07 0.00 0.31 0.00 0.00 61.69 60.46 3hv8 s THR 611 Cb -0.08 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.69 3hv8 s THR 611 CO 0.21 -0.78 0.31 0.54 -0.69 0.00 0.00 174.62 174.22 3hv8 s VAL 612 N 1.37 -0.07 -0.14 3.82 0.11 -1.26 -4.48 120.40 119.75 3hv8 s VAL 612 Ca 0.06 0.13 0.19 0.00 -2.93 0.00 0.00 61.98 59.43 3hv8 s VAL 612 Cb -0.26 -0.48 -0.28 0.00 -1.53 0.00 0.00 36.38 33.83 3hv8 s VAL 612 CO -0.01 0.06 0.21 0.00 -3.33 0.00 0.00 175.10 172.03 3hv8 n GLN 613 N 4.33 0.68 -4.84 1.54 3.00 -0.53 -4.95 117.38 116.61 3hv8 n GLN 613 Ca -0.23 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.38 3hv8 n GLN 613 Cb 0.54 -1.52 -0.14 0.00 0.00 0.00 0.00 30.24 29.12 3hv8 n GLN 613 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3hv8 s PHE 614 N -2.84 2.39 -0.11 1.08 0.08 -1.12 -1.37 117.98 116.08 3hv8 s PHE 614 Ca -0.09 -0.37 -0.00 0.00 0.12 0.00 0.00 56.93 56.58 3hv8 s PHE 614 Cb 0.09 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3hv8 s PHE 614 CO 0.86 0.16 -0.07 0.42 -0.10 0.00 0.00 175.22 176.49 3hv8 s ILE 615 N -0.84 0.94 -0.27 0.64 -1.09 0.15 -2.26 121.20 118.47 3hv8 s ILE 615 Ca 0.12 -0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 3hv8 s ILE 615 Cb -0.10 -0.98 -0.02 0.00 -1.58 0.00 0.00 42.46 39.78 3hv8 s ILE 615 CO 0.03 0.35 0.09 -0.75 -1.23 0.00 0.00 174.94 173.43 3hv8 s LYS 616 N 1.72 3.50 0.45 2.79 2.20 0.38 -0.79 119.74 129.99 3hv8 s LYS 616 Ca 0.04 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 3hv8 s LYS 616 Cb -0.13 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3hv8 s LYS 616 CO -0.08 -0.27 1.03 0.42 -0.36 0.00 0.00 175.35 176.09 3hv8 s ILE 617 N 1.60 3.82 0.42 5.43 1.01 -0.47 -1.43 121.20 131.57 3hv8 s ILE 617 Ca 0.05 1.21 -0.26 0.00 0.00 0.00 0.00 60.65 61.65 3hv8 s ILE 617 Cb -0.16 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 3hv8 s ILE 617 CO 0.04 -0.17 1.41 -0.62 0.00 0.00 0.00 174.94 175.60 3hv8 s ASP 618 N -1.87 6.09 0.65 3.58 2.15 -0.30 -4.42 116.67 122.55 3hv8 s ASP 618 Ca 0.64 2.89 0.42 0.00 0.43 0.00 0.00 52.55 56.93 3hv8 s ASP 618 Cb -0.17 -2.65 2.26 0.00 -0.30 0.00 0.00 42.92 42.05 3hv8 s ASP 618 CO 0.22 -1.03 2.32 1.23 -0.17 0.00 0.00 175.17 177.74 3hv8 h GLY 619 N 2.58 0.00 1.71 2.66 0.00 -1.92 -2.20 103.07 105.90 3hv8 h GLY 619 Ca -0.51 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.86 3hv8 h GLY 619 CO 0.62 0.00 0.11 1.48 0.00 0.00 0.00 176.54 178.75 3hv8 h SER 620 N 0.00 0.00 0.97 0.19 4.64 -1.96 -2.48 113.55 114.91 3hv8 h SER 620 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hv8 h SER 620 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hv8 h SER 620 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3hv8 n PHE 621 N -4.07 0.65 -0.57 4.77 3.72 -0.83 -2.56 117.46 118.57 3hv8 n PHE 621 Ca -0.00 0.22 0.08 0.00 -0.05 0.00 0.00 57.45 57.71 3hv8 n PHE 621 Cb 0.22 -0.86 0.28 0.00 -0.94 0.00 0.00 39.48 38.18 3hv8 n PHE 621 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3hv8 n VAL 622 N -2.06 1.67 -3.47 -4.37 0.24 -0.93 -4.77 118.33 104.63 3hv8 n VAL 622 Ca 0.04 -1.29 -0.33 0.00 -2.04 0.00 0.00 64.34 60.73 3hv8 n VAL 622 Cb 0.30 0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 3hv8 n VAL 622 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hv8 s GLN 623 N -1.79 3.79 -1.37 7.34 -1.52 -1.06 -4.43 119.66 120.61 3hv8 s GLN 623 Ca 0.41 0.23 -0.06 0.00 -1.95 0.00 0.00 55.36 54.00 3hv8 s GLN 623 Cb 0.27 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 30.34 3hv8 s GLN 623 CO 0.19 0.39 0.91 -0.25 -0.25 0.00 0.00 175.29 176.28 3hv8 n ASP 624 N 0.12 -3.26 -0.11 5.90 10.43 -1.26 -4.86 116.55 123.50 3hv8 n ASP 624 Ca -0.01 -0.73 0.10 0.00 2.57 0.00 0.00 54.79 56.72 3hv8 n ASP 624 Cb 0.52 -4.33 0.56 0.00 1.84 0.00 0.00 41.12 39.71 3hv8 n ASP 624 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3hv8 n LEU 625 N -4.50 0.34 0.21 0.64 4.77 -1.26 -2.61 117.00 114.59 3hv8 n LEU 625 Ca -0.14 -0.14 0.10 0.00 -0.03 0.00 0.00 56.01 55.80 3hv8 n LEU 625 Cb 0.61 -0.02 0.28 0.00 -2.33 0.00 0.00 43.42 41.96 3hv8 n LEU 625 CO 0.69 0.07 0.76 -0.55 -1.33 0.00 0.00 177.39 177.03 3hv8 h ASN 626 N 0.47 0.00 -3.34 -1.43 7.08 -1.96 -3.43 115.58 112.97 3hv8 h ASN 626 Ca 0.00 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.65 3hv8 h ASN 626 Cb 0.10 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.28 3hv8 h ASN 626 CO 0.00 0.16 0.29 -1.10 -2.08 0.00 0.00 177.43 174.70 3hv8 s GLN 627 N -3.31 4.37 0.53 4.14 -0.21 -1.07 -4.95 119.66 119.17 3hv8 s GLN 627 Ca 0.04 1.02 0.27 0.00 0.02 0.00 0.00 55.36 56.71 3hv8 s GLN 627 Cb 0.07 -3.52 1.51 0.00 1.00 0.00 0.00 33.01 32.07 3hv8 s GLN 627 CO 0.66 -0.17 2.11 -0.24 -2.12 0.00 0.00 175.29 175.53 3hv8 h VAL 628 N 5.00 0.59 -0.41 1.09 3.04 -1.88 -1.67 116.25 122.01 3hv8 h VAL 628 Ca -0.34 -0.42 -0.04 0.00 -1.01 0.00 0.00 66.70 64.88 3hv8 h VAL 628 Cb 1.16 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 3hv8 h VAL 628 CO 0.80 0.09 0.08 -0.08 -1.01 0.00 0.00 177.57 177.46 3hv8 h GLU 629 N 0.00 0.67 -0.13 4.17 4.81 -1.93 -1.24 114.58 120.92 3hv8 h GLU 629 Ca -0.00 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.93 3hv8 h GLU 629 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hv8 h GLU 629 CO 0.01 0.70 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.61 3hv8 h ASN 630 N 0.53 0.36 -0.46 1.04 -0.26 -1.59 -0.71 115.58 114.49 3hv8 h ASN 630 Ca 0.13 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.69 3hv8 h ASN 630 Cb 0.34 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 3hv8 h ASN 630 CO 0.00 0.78 0.28 1.56 -1.06 0.00 0.00 177.43 179.00 3hv8 h GLN 631 N 0.27 0.62 -0.43 0.81 4.20 -1.25 -1.73 115.11 117.60 3hv8 h GLN 631 Ca 0.02 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3hv8 h GLN 631 Cb 0.94 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 3hv8 h GLN 631 CO 0.08 0.45 0.04 0.93 -0.67 0.00 0.00 178.83 179.66 3hv8 h GLU 632 N 0.61 0.74 -0.48 1.46 5.08 -0.87 -0.56 114.58 120.55 3hv8 h GLU 632 Ca 0.16 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hv8 h GLU 632 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3hv8 h GLU 632 CO -0.03 0.78 0.30 0.82 -1.00 0.00 0.00 179.01 179.88 3hv8 h ILE 633 N 0.59 1.07 -0.29 3.13 2.04 -1.05 -0.24 117.51 122.77 3hv8 h ILE 633 Ca 0.13 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3hv8 h ILE 633 Cb 0.42 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3hv8 h ILE 633 CO 0.01 0.11 0.06 0.25 0.00 0.00 0.00 178.15 178.59 3hv8 h LEU 634 N 0.60 0.44 -0.58 1.44 5.85 -1.13 -1.84 115.31 120.08 3hv8 h LEU 634 Ca 0.19 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3hv8 h LEU 634 Cb -0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3hv8 h LEU 634 CO -0.07 0.57 0.37 0.11 -0.34 0.00 0.00 178.44 179.08 3hv8 h LYS 635 N 0.30 0.78 -0.57 1.25 1.57 -0.93 -1.91 116.57 117.06 3hv8 h LYS 635 Ca 0.09 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3hv8 h LYS 635 Cb 0.30 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hv8 h LYS 635 CO 0.00 0.53 0.13 0.78 -0.57 0.00 0.00 179.45 180.32 3hv8 h GLY 636 N 0.79 0.95 0.75 3.86 0.00 -0.92 -0.58 103.07 107.92 3hv8 h GLY 636 Ca 0.21 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3hv8 h GLY 636 CO -0.04 0.53 -0.04 -2.00 0.00 0.00 0.00 176.54 174.98 3hv8 h LEU 637 N 0.85 -0.10 -0.63 3.11 5.85 -1.07 -1.40 115.31 121.91 3hv8 h LEU 637 Ca 0.18 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3hv8 h LEU 637 Cb 0.32 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3hv8 h LEU 637 CO 0.00 0.16 0.33 0.40 -0.34 0.00 0.00 178.44 178.99 3hv8 h ILE 638 N -0.37 0.93 -0.82 4.05 2.04 -1.27 -1.64 117.51 120.42 3hv8 h ILE 638 Ca -0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3hv8 h ILE 638 Cb 0.31 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3hv8 h ILE 638 CO 0.02 0.11 0.38 0.00 0.00 0.00 0.00 178.15 178.66 3hv8 h ALA 639 N 1.35 1.06 -0.20 1.87 0.00 -0.92 -1.63 119.26 120.79 3hv8 h ALA 639 Ca 0.29 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3hv8 h ALA 639 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hv8 h ALA 639 CO -0.20 0.65 -0.54 1.49 0.00 0.00 0.00 179.25 180.65 3hv8 h GLU 640 N 1.18 0.58 -0.54 0.00 4.57 -0.94 -0.88 114.58 118.56 3hv8 h GLU 640 Ca 0.28 -0.36 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hv8 h GLU 640 Cb 0.15 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3hv8 h GLU 640 CO -0.03 0.97 0.33 -0.07 -1.18 0.00 0.00 179.01 179.03 3hv8 h LEU 641 N 0.45 0.55 -0.87 1.64 3.38 -1.00 -2.17 115.31 117.28 3hv8 h LEU 641 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3hv8 h LEU 641 Cb 1.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hv8 h LEU 641 CO 0.10 0.39 -0.02 0.45 0.09 0.00 0.00 178.44 179.45 3hv8 h HIS 642 N 0.66 0.87 0.00 1.13 3.86 -1.08 -1.07 115.15 119.52 3hv8 h HIS 642 Ca 0.21 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3hv8 h HIS 642 Cb 0.00 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 3hv8 h HIS 642 CO -0.06 0.81 -0.04 1.49 0.86 0.00 0.00 177.93 180.99 3hv8 h GLU 643 N 0.75 0.00 -0.43 2.45 4.57 -0.84 0.15 114.58 121.23 3hv8 h GLU 643 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3hv8 h GLU 643 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3hv8 h GLU 643 CO 0.02 0.04 0.00 1.04 -1.18 0.00 0.00 179.01 178.94 3hv8 n GLN 644 N -3.80 2.15 -2.64 1.92 1.13 -0.65 -4.94 117.38 110.55 3hv8 n GLN 644 Ca -0.03 -1.77 -0.19 0.00 -1.94 0.00 0.00 57.00 53.07 3hv8 n GLN 644 Cb 0.14 -1.41 0.01 0.00 0.11 0.00 0.00 30.24 29.09 3hv8 n GLN 644 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3hv8 n GLN 645 N 0.95 -2.94 -3.90 -1.09 6.02 0.52 -5.00 117.38 111.94 3hv8 n GLN 645 Ca 0.17 0.87 -0.37 0.00 -0.01 0.00 0.00 57.00 57.66 3hv8 n GLN 645 Cb 0.44 -5.47 -0.07 0.00 1.02 0.00 0.00 30.24 26.16 3hv8 n GLN 645 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hv8 s LYS 646 N -5.25 3.50 -0.13 -1.09 -0.14 -0.50 -5.01 119.74 111.12 3hv8 s LYS 646 Ca 0.13 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.29 3hv8 s LYS 646 Cb -0.06 -3.19 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 3hv8 s LYS 646 CO 0.17 0.71 1.22 -0.51 -0.76 0.00 0.00 175.35 176.18 3hv8 s LEU 647 N -0.84 4.21 0.10 3.17 1.43 -0.47 -4.04 118.68 122.23 3hv8 s LEU 647 Ca 0.14 1.71 -0.24 0.00 -1.03 0.00 0.00 54.13 54.71 3hv8 s LEU 647 Cb -0.12 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 3hv8 s LEU 647 CO 0.03 -0.69 0.75 -0.94 0.23 0.00 0.00 176.35 175.73 3hv8 s SER 648 N 1.75 7.27 -0.12 2.29 1.04 -1.26 -0.68 113.70 123.99 3hv8 s SER 648 Ca 0.54 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.51 3hv8 s SER 648 Cb -0.22 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.44 3hv8 s SER 648 CO 0.17 0.12 -0.20 -0.63 0.98 0.00 0.00 173.24 173.68 3hv8 s ILE 649 N -0.62 1.85 -0.24 -1.02 1.01 0.03 -1.32 121.20 120.88 3hv8 s ILE 649 Ca 0.36 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3hv8 s ILE 649 Cb -0.21 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.63 3hv8 s ILE 649 CO 0.24 0.51 -0.06 -0.69 0.00 0.00 0.00 174.94 174.94 3hv8 s VAL 650 N 0.78 2.97 0.22 2.92 1.01 -0.31 -1.37 120.40 126.62 3hv8 s VAL 650 Ca -0.09 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3hv8 s VAL 650 Cb -0.16 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.81 3hv8 s VAL 650 CO 0.00 0.28 0.30 -0.81 0.00 0.00 0.00 175.10 174.87 3hv8 n PRO 651 N 4.70 0.64 -2.24 2.72 -0.04 -1.26 -1.80 135.00 137.72 3hv8 n PRO 651 Ca -0.17 -0.99 -0.18 0.00 -0.04 0.00 0.00 63.50 62.12 3hv8 n PRO 651 Cb 0.48 -0.15 -0.02 0.00 -0.04 0.00 0.00 33.50 33.78 3hv8 n PRO 651 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hv8 n PHE 652 N -1.63 -0.75 -2.29 0.54 3.72 -0.76 -4.83 117.46 111.47 3hv8 n PHE 652 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 3hv8 n PHE 652 Cb 0.20 -3.49 -0.02 0.00 -0.94 0.00 0.00 39.48 35.23 3hv8 n PHE 652 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hv8 s VAL 653 N -2.87 3.90 0.00 -4.37 1.01 -0.42 -4.82 120.40 112.83 3hv8 s VAL 653 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3hv8 s VAL 653 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3hv8 s VAL 653 CO 0.00 -0.51 0.74 -0.62 0.00 0.00 0.00 175.10 174.71 3hv8 n GLU 654 N 7.73 1.32 -3.71 2.72 1.02 -1.26 -1.39 120.64 127.07 3hv8 n GLU 654 Ca 0.17 -1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.18 3hv8 n GLU 654 Cb 0.47 -0.92 -0.07 0.00 -0.02 0.00 0.00 31.44 30.90 3hv8 n GLU 654 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hv8 s SER 655 N -0.54 -0.20 0.24 1.62 1.04 -1.26 -4.67 113.70 109.93 3hv8 s SER 655 Ca 0.00 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.26 3hv8 s SER 655 Cb 0.00 0.39 0.25 0.00 0.10 0.00 0.00 66.02 66.76 3hv8 s SER 655 CO 0.00 -0.64 1.82 0.00 0.98 0.00 0.00 173.24 175.40 3hv8 h ALA 656 N 3.11 1.14 -0.87 5.32 0.00 -1.99 -1.14 119.26 124.84 3hv8 h ALA 656 Ca -0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3hv8 h ALA 656 Cb 1.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hv8 h ALA 656 CO 0.45 0.63 0.48 0.66 0.00 0.00 0.00 179.25 181.47 3hv8 h SER 657 N 1.10 1.08 -0.14 0.00 4.64 -1.98 0.95 113.55 119.20 3hv8 h SER 657 Ca 0.26 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3hv8 h SER 657 Cb 0.17 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3hv8 h SER 657 CO -0.03 0.87 -0.30 0.58 -0.87 0.00 0.00 176.83 177.08 3hv8 h VAL 658 N 1.21 1.37 -0.36 0.95 2.07 -1.90 -0.96 116.25 118.63 3hv8 h VAL 658 Ca 0.31 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.32 3hv8 h VAL 658 Cb 0.02 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3hv8 h VAL 658 CO -0.05 0.47 -0.13 0.25 0.02 0.00 0.00 177.57 178.13 3hv8 h LEU 659 N 0.05 -0.46 -0.78 2.57 6.46 -0.96 -0.69 115.31 121.50 3hv8 h LEU 659 Ca 0.00 0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 3hv8 h LEU 659 Cb 0.90 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 3hv8 h LEU 659 CO 0.07 -0.16 0.09 0.00 -0.62 0.00 0.00 178.44 177.81 3hv8 h ALA 660 N 1.26 0.99 -0.63 1.25 0.00 -0.79 -1.26 119.26 120.09 3hv8 h ALA 660 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hv8 h ALA 660 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hv8 h ALA 660 CO -0.40 0.63 0.32 1.15 0.00 0.00 0.00 179.25 180.96 3hv8 h THR 661 N 0.95 1.21 -0.41 0.00 2.02 -0.75 -1.49 112.91 114.44 3hv8 h THR 661 Ca 0.19 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 3hv8 h THR 661 Cb 0.42 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hv8 h THR 661 CO 0.01 0.24 -0.25 -0.07 0.37 0.00 0.00 175.52 175.82 3hv8 h LEU 662 N 0.87 0.88 -0.67 2.58 3.38 -0.89 0.67 115.31 122.12 3hv8 h LEU 662 Ca 0.22 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hv8 h LEU 662 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3hv8 h LEU 662 CO -0.03 1.08 0.25 -0.25 0.09 0.00 0.00 178.44 179.59 3hv8 h TRP 663 N 0.74 1.04 0.00 1.13 7.01 -1.02 -1.88 115.95 122.96 3hv8 h TRP 663 Ca 0.09 -0.08 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 3hv8 h TRP 663 Cb 0.79 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 3hv8 h TRP 663 CO 0.05 0.82 -0.59 1.96 -2.79 0.00 0.00 178.44 177.88 3hv8 h GLN 664 N 0.96 0.00 0.00 2.65 1.08 -1.01 -2.82 115.11 115.96 3hv8 h GLN 664 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3hv8 h GLN 664 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3hv8 h GLN 664 CO -0.02 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 178.46 3hv8 n ALA 665 N -2.37 1.98 -0.26 3.87 0.00 0.20 -4.92 120.51 119.01 3hv8 n ALA 665 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hv8 n ALA 665 Cb 0.63 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3hv8 n ALA 665 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hv8 n GLY 666 N 0.69 0.87 3.57 0.00 0.00 -0.77 -4.78 105.19 104.78 3hv8 n GLY 666 Ca 0.05 -0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.58 3hv8 n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv8 n ALA 667 N -1.23 -0.77 0.07 4.61 0.00 -0.84 -4.89 120.51 117.46 3hv8 n ALA 667 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 3hv8 n ALA 667 Cb 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.35 3hv8 n ALA 667 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hv8 h THR 668 N 2.49 1.54 -3.77 0.00 1.35 -1.88 -3.43 112.91 109.22 3hv8 h THR 668 Ca -0.42 -3.18 -0.15 0.00 -0.55 0.00 0.00 66.41 62.11 3hv8 h THR 668 Cb 1.35 2.76 -0.20 0.00 -1.73 0.00 0.00 68.15 70.33 3hv8 h THR 668 CO 0.68 0.88 -0.57 -0.31 -0.25 0.00 0.00 175.52 175.94 3hv8 s TYR 669 N -2.76 0.18 0.15 4.73 2.02 -0.43 -1.12 117.35 120.11 3hv8 s TYR 669 Ca 0.02 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 3hv8 s TYR 669 Cb 0.09 -0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.48 3hv8 s TYR 669 CO 0.81 -0.28 -0.06 0.96 -1.57 0.00 0.00 175.55 175.40 3hv8 s ILE 670 N -1.87 0.95 -0.02 2.71 -4.36 -0.20 -1.16 121.20 117.23 3hv8 s ILE 670 Ca -0.11 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.06 3hv8 s ILE 670 Cb -0.06 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.76 3hv8 s ILE 670 CO -0.01 -0.66 0.43 -1.58 0.24 0.00 0.00 174.94 173.36 3hv8 s GLN 671 N -3.82 0.80 0.00 0.37 0.74 -0.75 -0.60 119.66 116.40 3hv8 s GLN 671 Ca 0.19 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.55 3hv8 s GLN 671 Cb 0.04 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.52 3hv8 s GLN 671 CO 0.01 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 3hv8 n GLY 672 N 1.14 2.18 0.39 2.59 0.00 -1.26 -1.30 105.19 108.92 3hv8 n GLY 672 Ca -0.21 -1.03 0.18 0.00 0.00 0.00 0.00 46.02 44.96 3hv8 n GLY 672 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hv8 h TYR 673 N 0.00 0.33 -0.54 1.61 0.99 -1.70 -1.26 116.97 116.40 3hv8 h TYR 673 Ca 0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3hv8 h TYR 673 Cb 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 37.60 3hv8 h TYR 673 CO 0.00 0.12 0.32 -0.92 -0.00 0.00 0.00 178.16 177.68 3hv8 h TYR 674 N 0.28 0.71 0.00 4.88 5.03 -1.50 -3.20 116.97 123.16 3hv8 h TYR 674 Ca 0.35 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.66 3hv8 h TYR 674 Cb 0.97 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 3hv8 h TYR 674 CO -0.00 0.48 -0.10 -0.07 -1.32 0.00 0.00 178.16 177.15 3hv8 h LEU 675 N 0.74 0.00 -7.00 2.82 4.07 -1.54 -3.49 115.31 110.91 3hv8 h LEU 675 Ca 0.20 -0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.26 3hv8 h LEU 675 Cb -0.02 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 41.43 3hv8 h LEU 675 CO -0.04 0.56 0.60 -1.58 -1.08 0.00 0.00 178.44 176.91 3hv8 s GLN 676 N -1.69 0.30 0.92 1.13 0.74 -0.56 -5.05 119.66 115.45 3hv8 s GLN 676 Ca -0.03 0.39 -0.15 0.00 0.05 0.00 0.00 55.36 55.62 3hv8 s GLN 676 Cb 0.00 0.12 0.17 0.00 1.10 0.00 0.00 33.01 34.41 3hv8 s GLN 676 CO 0.06 -0.04 1.29 0.20 -0.55 0.00 0.00 175.29 176.24 3hv8 s GLY 677 N 0.45 1.74 0.34 2.59 0.00 -1.26 -4.30 107.32 106.88 3hv8 s GLY 677 Ca 0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 3hv8 s GLY 677 CO -0.11 -0.39 1.50 -1.05 0.00 0.00 0.00 173.10 173.05 3hv8 n PRO 678 N -3.65 2.59 -3.98 2.90 -0.02 -1.26 -4.70 135.00 126.88 3hv8 n PRO 678 Ca 0.14 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 3hv8 n PRO 678 Cb 0.60 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3hv8 n PRO 678 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hv8 s SER 679 N 0.08 0.26 0.47 2.55 0.15 -0.30 -4.85 113.70 112.07 3hv8 s SER 679 Ca 0.58 -0.62 0.32 0.00 0.70 0.00 0.00 55.95 56.93 3hv8 s SER 679 Cb -0.50 0.19 1.49 0.00 -1.71 0.00 0.00 66.02 65.49 3hv8 s SER 679 CO 0.58 -0.47 1.96 1.56 1.20 0.00 0.00 173.24 178.07 3hv8 h GLN 680 N 3.83 0.00 -6.66 5.44 4.20 -1.86 0.55 115.11 120.61 3hv8 h GLN 680 Ca -0.33 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.69 3hv8 h GLN 680 Cb 1.18 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.73 3hv8 h GLN 680 CO 0.51 0.00 -0.84 0.00 -0.67 0.00 0.00 178.83 177.83 3hv8 s ALA 681 N -3.67 2.46 -1.19 3.87 0.00 -1.26 -4.84 121.76 117.13 3hv8 s ALA 681 Ca -0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 3hv8 s ALA 681 Cb 0.10 -0.62 0.20 0.00 0.00 0.00 0.00 23.12 22.79 3hv8 s ALA 681 CO 0.43 0.56 1.36 -1.33 0.00 0.00 0.00 175.76 176.77 3hv8 n MET 682 N 1.59 3.42 -1.11 0.00 2.81 -1.26 -4.73 117.12 117.83 3hv8 n MET 682 Ca -0.16 -4.01 0.04 0.00 -1.81 0.00 0.00 57.70 51.76 3hv8 n MET 682 Cb 0.52 -2.91 0.11 0.00 -0.71 0.00 0.00 33.22 30.23 3hv8 n MET 682 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3hv8 n ASP 683 N 4.83 1.40 -4.77 7.83 5.68 -1.26 -5.06 116.55 125.20 3hv8 n ASP 683 Ca 0.34 -2.91 -0.41 0.00 -0.50 0.00 0.00 54.79 51.31 3hv8 n ASP 683 Cb 0.42 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 3hv8 n ASP 683 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hv8 s TYR 684 N -1.62 3.22 -0.78 2.11 6.14 -1.26 -4.97 117.35 120.18 3hv8 s TYR 684 Ca 0.36 1.51 -0.20 0.00 0.64 0.00 0.00 57.07 59.38 3hv8 s TYR 684 Cb 0.38 -3.55 0.11 0.00 0.42 0.00 0.00 41.96 39.32 3hv8 s TYR 684 CO -0.12 -1.42 1.00 0.34 0.64 0.00 0.00 175.55 175.99 3hv8 s ASP 685 N -0.62 6.40 0.33 4.32 2.15 -1.26 -4.86 116.67 123.13 3hv8 s ASP 685 Ca 0.47 -1.57 0.17 0.00 0.43 0.00 0.00 52.55 52.06 3hv8 s ASP 685 Cb -0.37 -2.39 0.43 0.00 -0.30 0.00 0.00 42.92 40.28 3hv8 s ASP 685 CO 0.49 -1.21 1.61 -0.26 -0.17 0.00 0.00 175.17 175.63 3hv8 h PHE 686 N 9.15 0.00 0.00 -5.34 0.04 -1.98 -3.54 116.94 115.26 3hv8 h PHE 686 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3hv8 h PHE 686 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3hv8 h PHE 686 CO 1.05 0.43 0.00 -1.13 -0.60 0.00 0.00 178.31 178.06