#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvb s ALA 438 N 0.00 3.15 -0.16 0.00 0.00 -1.26 -5.16 121.76 118.33 3hvb s ALA 438 Ca 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 3hvb s ALA 438 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3hvb s ALA 438 CO 0.00 0.39 0.12 -0.65 0.00 0.00 0.00 175.76 175.63 3hvb s GLN 439 N -3.21 3.79 0.05 0.00 -1.52 -1.26 -5.08 119.66 112.44 3hvb s GLN 439 Ca 0.28 -0.20 -0.23 0.00 -1.95 0.00 0.00 55.36 53.26 3hvb s GLN 439 Cb -0.08 -3.27 0.05 0.00 -0.22 0.00 0.00 33.01 29.49 3hvb s GLN 439 CO 0.19 0.52 0.54 0.50 -0.25 0.00 0.00 175.29 176.79 3hvb s ARG 440 N -0.30 1.06 0.00 2.91 3.52 -1.26 -5.19 118.95 119.69 3hvb s ARG 440 Ca 0.11 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3hvb s ARG 440 Cb -0.12 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 3hvb s ARG 440 CO 0.01 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 3hvb n GLY 441 N 0.37 1.50 3.50 8.12 0.00 -1.26 -5.04 105.19 112.38 3hvb n GLY 441 Ca -0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3hvb n GLY 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hvb s ASP 442 N 0.00 6.45 0.39 1.61 3.68 -1.26 -4.90 116.67 122.64 3hvb s ASP 442 Ca 0.00 -1.47 0.08 0.00 2.13 0.00 0.00 52.55 53.29 3hvb s ASP 442 Cb 0.00 -2.47 0.85 0.00 -1.45 0.00 0.00 42.92 39.84 3hvb s ASP 442 CO 0.00 -1.36 1.98 0.58 0.13 0.00 0.00 175.17 176.50 3hvb h VAL 443 N 6.19 1.00 -0.63 1.11 2.07 -1.98 -2.61 116.25 121.40 3hvb h VAL 443 Ca 0.04 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3hvb h VAL 443 Cb 1.03 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3hvb h VAL 443 CO 1.24 0.11 0.13 0.40 0.02 0.00 0.00 177.57 179.48 3hvb h ILE 444 N 0.62 1.26 0.68 4.57 2.04 -1.92 -1.27 117.51 123.49 3hvb h ILE 444 Ca 0.27 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3hvb h ILE 444 Cb 0.28 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3hvb h ILE 444 CO -0.08 0.36 -0.33 0.00 0.00 0.00 0.00 178.15 178.10 3hvb h ALA 445 N 1.04 -1.24 -1.60 1.87 0.00 -1.90 -2.62 119.26 114.81 3hvb h ALA 445 Ca 0.20 -0.20 0.51 0.00 0.00 0.00 0.00 54.91 55.41 3hvb h ALA 445 Cb 0.39 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3hvb h ALA 445 CO 0.01 -1.17 1.09 0.82 0.00 0.00 0.00 179.25 179.99 3hvb h ILE 446 N -0.92 0.04 -0.12 0.00 2.04 -1.14 1.18 117.51 118.60 3hvb h ILE 446 Ca -0.09 -0.01 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3hvb h ILE 446 Cb 0.70 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3hvb h ILE 446 CO 0.15 0.00 -0.60 -0.07 0.00 0.00 0.00 178.15 177.64 3hvb h LEU 447 N 0.02 0.73 -1.46 1.44 3.38 -1.13 0.42 115.31 118.71 3hvb h LEU 447 Ca 0.89 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hvb h LEU 447 Cb 3.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.68 3hvb h LEU 447 CO -0.28 1.25 0.00 1.56 0.09 0.00 0.00 178.44 181.07 3hvb h GLN 448 N 0.26 0.00 -0.08 1.13 4.20 0.16 -0.46 115.11 120.32 3hvb h GLN 448 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hvb h GLN 448 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3hvb h GLN 448 CO 0.12 0.00 0.00 0.94 -0.67 0.00 0.00 178.83 179.22 3hvb n GLN 449 N -2.83 2.13 -0.06 1.46 -0.06 0.62 -4.08 117.38 114.56 3hvb n GLN 449 Ca 0.00 -1.88 -0.05 0.00 -2.00 0.00 0.00 57.00 53.07 3hvb n GLN 449 Cb 0.24 -1.43 -0.13 0.00 -4.06 0.00 0.00 30.24 24.86 3hvb n GLN 449 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hvb n ALA 450 N 1.27 1.81 0.98 1.69 0.00 0.12 -4.03 120.51 122.33 3hvb n ALA 450 Ca 0.14 -0.93 0.10 0.00 0.00 0.00 0.00 53.44 52.74 3hvb n ALA 450 Cb 0.56 -0.19 0.50 0.00 0.00 0.00 0.00 19.45 20.33 3hvb n ALA 450 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hvb n LEU 451 N -2.49 0.00 0.00 0.00 4.77 -0.28 -1.18 117.00 117.81 3hvb n LEU 451 Ca -0.22 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3hvb n LEU 451 Cb 0.91 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3hvb n LEU 451 CO 0.34 -0.08 -0.29 -1.84 -1.33 0.00 0.00 177.39 174.19 3hvb n GLU 452 N -1.22 0.00 0.05 3.23 0.00 -1.26 -4.54 120.64 116.89 3hvb n GLU 452 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.33 3hvb n GLU 452 Cb 0.13 -0.41 0.31 0.00 0.00 0.00 0.00 31.44 31.48 3hvb n GLU 452 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3hvb n THR 453 N -2.61 1.21 -3.94 3.84 -2.24 -1.26 -4.87 114.28 104.41 3hvb n THR 453 Ca 0.00 0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.85 3hvb n THR 453 Cb 0.29 -1.27 0.02 0.00 -2.10 0.00 0.00 70.33 67.27 3hvb n THR 453 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hvb n ASN 454 N -1.78 -4.58 0.23 3.42 5.03 -0.33 -4.87 115.26 112.38 3hvb n ASN 454 Ca 0.02 -0.80 0.12 0.00 0.87 0.00 0.00 54.58 54.79 3hvb n ASN 454 Cb 0.12 -3.77 0.74 0.00 -1.02 0.00 0.00 39.78 35.85 3hvb n ASN 454 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 3hvb h SER 455 N -2.03 0.00 -0.97 6.41 0.87 -1.71 -3.46 113.55 112.66 3hvb h SER 455 Ca -0.58 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.20 3hvb h SER 455 Cb 1.38 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.38 3hvb h SER 455 CO 0.68 0.00 0.13 0.49 -0.53 0.00 0.00 176.83 177.60 3hvb n PHE 456 N -4.26 0.75 -3.63 2.24 3.72 -1.26 -4.70 117.46 110.31 3hvb n PHE 456 Ca -0.01 1.04 -0.39 0.00 -0.05 0.00 0.00 57.45 58.04 3hvb n PHE 456 Cb 0.19 -2.04 -0.11 0.00 -0.94 0.00 0.00 39.48 36.57 3hvb n PHE 456 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3hvb s ARG 457 N 0.34 3.25 -0.15 -1.08 3.52 -0.84 -5.01 118.95 118.98 3hvb s ARG 457 Ca 0.90 -0.79 -0.26 0.00 -0.13 0.00 0.00 55.73 55.46 3hvb s ARG 457 Cb -1.25 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 28.50 3hvb s ARG 457 CO 0.58 -0.47 0.83 -1.17 -0.81 0.00 0.00 175.30 174.26 3hvb s LEU 458 N 1.61 4.20 0.47 -0.88 2.96 -1.26 -0.81 118.68 124.97 3hvb s LEU 458 Ca 0.04 1.22 0.08 0.00 -0.22 0.00 0.00 54.13 55.25 3hvb s LEU 458 Cb -0.17 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 43.29 3hvb s LEU 458 CO 0.07 -0.36 0.57 -0.76 -1.32 0.00 0.00 176.35 174.54 3hvb s LEU 459 N 1.93 3.34 -0.08 -0.68 1.43 -0.90 -4.78 118.68 118.94 3hvb s LEU 459 Ca 0.39 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3hvb s LEU 459 Cb -0.17 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.02 3hvb s LEU 459 CO 0.14 -0.93 0.19 -0.36 0.23 0.00 0.00 176.35 175.62 3hvb s PHE 460 N -2.51 -0.24 -0.11 0.29 0.08 0.49 -1.40 117.98 114.58 3hvb s PHE 460 Ca 0.53 0.61 0.01 0.00 0.12 0.00 0.00 56.93 58.20 3hvb s PHE 460 Cb -0.06 -0.00 0.02 0.00 -0.57 0.00 0.00 43.02 42.40 3hvb s PHE 460 CO 0.32 -0.18 -0.13 -1.14 -0.10 0.00 0.00 175.22 173.99 3hvb s GLN 461 N 1.02 1.96 0.27 0.44 0.74 -0.38 -0.24 119.66 123.47 3hvb s GLN 461 Ca -0.08 -0.46 -0.27 0.00 0.05 0.00 0.00 55.36 54.61 3hvb s GLN 461 Cb -0.09 -1.75 -0.09 0.00 1.10 0.00 0.00 33.01 32.17 3hvb s GLN 461 CO -0.06 -0.12 0.91 -2.14 -0.55 0.00 0.00 175.29 173.33 3hvb s PRO 462 N 1.16 4.64 -0.42 1.67 0.02 -1.26 -0.69 135.00 140.11 3hvb s PRO 462 Ca -0.04 1.32 -0.16 0.00 0.02 0.00 0.00 61.00 62.14 3hvb s PRO 462 Cb -0.14 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.41 3hvb s PRO 462 CO -0.03 0.39 0.38 0.08 -0.33 0.00 0.00 177.00 177.49 3hvb s VAL 463 N -1.43 5.16 0.13 3.83 1.01 0.35 -4.49 120.40 124.95 3hvb s VAL 463 Ca 0.45 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3hvb s VAL 463 Cb -0.21 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3hvb s VAL 463 CO 0.26 -0.39 1.02 -0.63 0.00 0.00 0.00 175.10 175.36 3hvb s ILE 464 N 1.94 4.29 -0.02 2.22 1.09 0.15 -4.21 121.20 126.66 3hvb s ILE 464 Ca 0.09 1.90 -0.26 0.00 -1.10 0.00 0.00 60.65 61.28 3hvb s ILE 464 Cb -0.18 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 36.96 3hvb s ILE 464 CO 0.12 0.29 0.80 -0.55 -0.10 0.00 0.00 174.94 175.50 3hvb s SER 465 N 0.04 7.16 -0.11 3.58 0.15 -1.26 -0.64 113.70 122.61 3hvb s SER 465 Ca 0.48 1.40 0.11 0.00 0.70 0.00 0.00 55.95 58.64 3hvb s SER 465 Cb -0.25 -2.47 -0.16 0.00 -1.71 0.00 0.00 66.02 61.42 3hvb s SER 465 CO 0.31 -0.12 0.08 0.18 1.20 0.00 0.00 173.24 174.89 3hvb n LEU 466 N 3.55 0.00 0.00 3.45 4.77 -0.64 -4.81 117.00 123.33 3hvb n LEU 466 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3hvb n LEU 466 Cb 0.51 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3hvb n LEU 466 CO 0.49 0.26 0.05 0.54 -1.33 0.00 0.00 177.39 177.40 3hvb n ARG 467 N -2.39 0.00 0.00 3.23 1.74 -0.42 -5.02 116.66 113.80 3hvb n ARG 467 Ca -0.18 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3hvb n ARG 467 Cb 0.82 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 32.14 3hvb n ARG 467 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hvb n GLY 468 N 0.00 1.55 3.48 -0.13 0.00 -1.16 -5.01 105.19 103.92 3hvb n GLY 468 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3hvb n GLY 468 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hvb s ASP 469 N -1.00 0.35 -0.23 1.61 1.47 -1.26 -4.96 116.67 112.64 3hvb s ASP 469 Ca 0.00 0.90 0.13 0.00 1.18 0.00 0.00 52.55 54.76 3hvb s ASP 469 Cb 0.00 -1.32 0.54 0.00 -0.34 0.00 0.00 42.92 41.80 3hvb s ASP 469 CO 0.00 -4.51 1.47 -1.54 0.68 0.00 0.00 175.17 171.27 3hvb n SER 470 N -5.06 3.46 -4.48 2.11 3.41 -1.26 -4.76 113.62 107.04 3hvb n SER 470 Ca 0.10 -3.30 -0.32 0.00 -0.26 0.00 0.00 58.87 55.09 3hvb n SER 470 Cb 0.59 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3hvb n SER 470 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hvb n HIS 471 N -0.73 -0.88 -2.85 7.33 8.25 -1.26 -5.01 115.22 120.07 3hvb n HIS 471 Ca 0.28 0.27 -0.41 0.00 -0.26 0.00 0.00 57.72 57.60 3hvb n HIS 471 Cb 0.99 -1.83 -0.04 0.00 1.12 0.00 0.00 29.99 30.22 3hvb n HIS 471 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hvb s GLU 472 N -3.89 4.55 -0.11 -0.41 2.02 -1.12 -4.91 118.70 114.83 3hvb s GLU 472 Ca 0.59 1.22 0.02 0.00 0.02 0.00 0.00 54.97 56.83 3hvb s GLU 472 Cb -0.21 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.61 3hvb s GLU 472 CO 0.65 0.11 -0.18 -0.80 0.02 0.00 0.00 175.26 175.07 3hvb s ASN 473 N 0.48 2.61 0.05 -0.19 0.01 -1.26 -1.13 114.94 115.51 3hvb s ASN 473 Ca 0.44 -0.47 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 3hvb s ASN 473 Cb -0.21 -1.19 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 3hvb s ASN 473 CO 0.25 0.05 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.44 3hvb s TYR 474 N 0.84 1.21 -0.18 2.20 2.02 -0.40 -0.50 117.35 122.54 3hvb s TYR 474 Ca -0.09 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 3hvb s TYR 474 Cb -0.15 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3hvb s TYR 474 CO 0.00 0.04 0.06 -2.00 -1.57 0.00 0.00 175.55 172.08 3hvb s GLU 475 N -1.37 3.96 -0.07 -0.62 2.12 0.14 0.13 118.70 122.98 3hvb s GLU 475 Ca -0.00 -0.35 -0.18 0.00 0.36 0.00 0.00 54.97 54.80 3hvb s GLU 475 Cb -0.09 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3hvb s GLU 475 CO 0.02 0.26 0.47 0.14 -0.54 0.00 0.00 175.26 175.61 3hvb s VAL 476 N 0.40 5.10 0.49 3.70 -7.23 -0.49 -1.25 120.40 121.12 3hvb s VAL 476 Ca 0.03 0.96 0.07 0.00 -1.81 0.00 0.00 61.98 61.23 3hvb s VAL 476 Cb -0.12 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.02 3hvb s VAL 476 CO 0.00 0.40 0.39 -0.76 -0.31 0.00 0.00 175.10 174.83 3hvb s LEU 477 N 0.09 2.97 -0.07 1.32 1.43 -0.49 -4.61 118.68 119.32 3hvb s LEU 477 Ca 0.26 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3hvb s LEU 477 Cb -0.16 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hvb s LEU 477 CO 0.12 -0.92 -0.07 -0.22 0.23 0.00 0.00 176.35 175.49 3hvb s LEU 478 N -4.22 1.33 0.13 1.79 2.96 -1.26 -2.12 118.68 117.29 3hvb s LEU 478 Ca 0.41 -0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3hvb s LEU 478 Cb -0.02 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 3hvb s LEU 478 CO 0.24 -0.05 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.85 3hvb s ARG 479 N 1.09 1.30 -0.11 1.98 3.00 0.01 -4.93 118.95 121.30 3hvb s ARG 479 Ca -0.08 -1.31 0.03 0.00 0.00 0.00 0.00 55.73 54.38 3hvb s ARG 479 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 34.95 33.15 3hvb s ARG 479 CO -0.01 0.38 -0.21 -1.17 0.00 0.00 0.00 175.30 174.30 3hvb s LEU 480 N -2.12 1.98 -0.29 2.53 2.96 -1.26 -1.99 118.68 120.48 3hvb s LEU 480 Ca 0.12 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 3hvb s LEU 480 Cb -0.09 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3hvb s LEU 480 CO 0.06 0.10 0.34 -0.76 -1.32 0.00 0.00 176.35 174.77 3hvb s LEU 481 N 0.59 4.16 1.15 -0.68 2.01 -1.26 -1.40 118.68 123.24 3hvb s LEU 481 Ca -0.14 0.07 -0.16 0.00 0.01 0.00 0.00 54.13 53.91 3hvb s LEU 481 Cb -0.17 -2.34 0.26 0.00 0.01 0.00 0.00 46.19 43.95 3hvb s LEU 481 CO 0.04 -0.21 1.07 0.54 1.01 0.00 0.00 176.35 178.80 3hvb s ASN 482 N 1.69 1.33 0.39 2.29 2.20 -0.78 -4.91 114.94 117.16 3hvb s ASN 482 Ca 0.13 1.04 0.20 0.00 -0.94 0.00 0.00 52.86 53.28 3hvb s ASN 482 Cb -0.16 -1.58 0.68 0.00 -2.00 0.00 0.00 41.25 38.20 3hvb s ASN 482 CO 0.11 -3.92 1.73 -0.65 -2.94 0.00 0.00 177.10 171.43 3hvb h PRO 483 N -2.43 0.00 -0.68 3.55 0.11 -1.96 -2.99 132.00 127.60 3hvb h PRO 483 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hvb h PRO 483 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hvb h PRO 483 CO 0.47 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 3hvb n GLN 484 N -3.44 2.71 0.00 1.05 10.64 -1.26 -5.01 117.38 122.07 3hvb n GLN 484 Ca 0.00 -2.47 0.00 0.00 -1.83 0.00 0.00 57.00 52.70 3hvb n GLN 484 Cb 0.51 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 3hvb n GLN 484 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hvb n GLY 485 N 1.51 2.17 3.27 2.61 0.00 -1.13 -5.10 105.19 108.51 3hvb n GLY 485 Ca 0.23 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3hvb n GLY 485 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hvb n GLN 486 N 0.00 -0.00 -3.57 1.61 6.02 -1.26 -4.19 117.38 115.98 3hvb n GLN 486 Ca 0.00 0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 3hvb n GLN 486 Cb 0.00 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 3hvb n GLN 486 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3hvb s GLU 487 N -2.53 3.91 -0.01 -1.09 -1.05 -1.26 -1.86 118.70 114.81 3hvb s GLU 487 Ca 0.53 0.25 -0.24 0.00 -0.15 0.00 0.00 54.97 55.36 3hvb s GLU 487 Cb -0.27 -3.27 -0.05 0.00 -0.44 0.00 0.00 34.13 30.11 3hvb s GLU 487 CO 0.70 0.59 0.73 0.54 0.95 0.00 0.00 175.26 178.77 3hvb s VAL 488 N -0.67 4.90 0.20 1.83 0.11 -0.50 -4.92 120.40 121.35 3hvb s VAL 488 Ca 0.21 1.54 -0.32 0.00 -2.93 0.00 0.00 61.98 60.48 3hvb s VAL 488 Cb -0.15 -4.08 -0.15 0.00 -1.53 0.00 0.00 36.38 30.47 3hvb s VAL 488 CO 0.10 0.31 1.09 -2.65 -3.33 0.00 0.00 175.10 170.62 3hvb n PRO 489 N 3.29 1.13 -0.06 1.54 -0.02 -1.26 -4.43 135.00 135.19 3hvb n PRO 489 Ca -0.02 0.40 -0.05 0.00 -2.02 0.00 0.00 63.50 61.81 3hvb n PRO 489 Cb 0.51 -1.84 0.16 0.00 -0.02 0.00 0.00 33.50 32.31 3hvb n PRO 489 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hvb h PRO 490 N 2.94 0.67 -0.56 0.52 0.11 -1.94 -1.78 132.00 131.98 3hvb h PRO 490 Ca -0.42 -0.22 0.01 0.00 0.11 0.00 0.00 66.00 65.48 3hvb h PRO 490 Cb 1.35 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 3hvb h PRO 490 CO 0.67 0.79 0.37 0.00 -0.21 0.00 0.00 178.00 179.62 3hvb h ALA 491 N 1.24 1.64 0.54 -0.75 0.00 -1.98 0.46 119.26 120.40 3hvb h ALA 491 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hvb h ALA 491 Cb 0.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hvb h ALA 491 CO 0.04 0.32 -0.26 1.49 0.00 0.00 0.00 179.25 180.84 3hvb h GLU 492 N 0.72 -0.69 0.00 0.00 4.57 -1.77 -2.71 114.58 114.69 3hvb h GLU 492 Ca 0.21 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3hvb h GLU 492 Cb -0.03 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3hvb h GLU 492 CO -0.05 -0.39 -0.00 1.97 -1.18 0.00 0.00 179.01 179.35 3hvb n PHE 493 N -5.33 0.45 0.08 0.92 1.16 -0.72 -2.24 117.46 111.78 3hvb n PHE 493 Ca -0.12 0.13 -0.13 0.00 -1.87 0.00 0.00 57.45 55.47 3hvb n PHE 493 Cb 0.33 -0.71 -0.07 0.00 -1.61 0.00 0.00 39.48 37.41 3hvb n PHE 493 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3hvb h LEU 494 N 0.00 0.42 -0.35 5.98 -0.00 -0.13 -2.51 115.31 118.71 3hvb h LEU 494 Ca 0.00 -0.37 -0.19 0.00 -0.00 0.00 0.00 57.88 57.32 3hvb h LEU 494 Cb 0.61 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 3hvb h LEU 494 CO 0.00 1.21 -0.82 0.45 -0.00 0.00 0.00 178.44 179.28 3hvb h HIS 495 N 0.14 0.30 0.27 1.13 3.86 -1.40 -3.11 115.15 116.34 3hvb h HIS 495 Ca -0.09 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 3hvb h HIS 495 Cb 1.70 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.12 3hvb h HIS 495 CO 0.05 0.94 -0.19 0.00 0.86 0.00 0.00 177.93 179.59 3hvb h ALA 496 N 1.01 -0.44 -1.01 2.45 0.00 -1.44 -1.38 119.26 118.45 3hvb h ALA 496 Ca -0.04 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3hvb h ALA 496 Cb 1.42 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 3hvb h ALA 496 CO 0.13 -0.76 0.62 0.00 0.00 0.00 0.00 179.25 179.23 3hvb h ALA 497 N 0.24 1.86 -0.10 0.00 0.00 -1.45 -2.31 119.26 117.49 3hvb h ALA 497 Ca -0.02 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3hvb h ALA 497 Cb 0.39 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hvb h ALA 497 CO 0.01 -0.26 -0.47 0.87 0.00 0.00 0.00 179.25 179.39 3hvb h LYS 498 N 0.61 0.50 -0.76 0.00 1.57 -1.41 -0.44 116.57 116.64 3hvb h LYS 498 Ca 0.60 -0.40 0.22 0.00 -1.87 0.00 0.00 60.65 59.19 3hvb h LYS 498 Cb 1.15 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3hvb h LYS 498 CO -0.38 1.03 0.54 0.93 -0.57 0.00 0.00 179.45 181.00 3hvb h GLU 499 N 0.09 0.01 0.00 3.15 5.08 -0.72 -3.15 114.58 119.03 3hvb h GLU 499 Ca -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hvb h GLU 499 Cb 1.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3hvb h GLU 499 CO 0.10 0.00 -0.45 0.00 -1.00 0.00 0.00 179.01 177.66 3hvb n ALA 500 N -2.68 3.40 -1.22 3.43 0.00 -1.00 -4.98 120.51 117.46 3hvb n ALA 500 Ca 0.15 -3.15 -0.11 0.00 0.00 0.00 0.00 53.44 50.33 3hvb n ALA 500 Cb 0.82 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 3hvb n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hvb n GLY 501 N -1.09 1.00 0.13 0.00 0.00 -1.15 -4.81 105.19 99.28 3hvb n GLY 501 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3hvb n GLY 501 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hvb h LEU 502 N 0.00 0.00 -0.94 0.99 -0.00 -1.38 -3.41 115.31 110.57 3hvb h LEU 502 Ca -0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.77 3hvb h LEU 502 Cb 0.88 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.42 3hvb h LEU 502 CO 0.32 0.52 -0.50 0.00 -0.00 0.00 0.00 178.44 178.78 3hvb n ALA 503 N -2.24 -0.46 0.20 1.53 0.00 -0.96 -0.27 120.51 118.30 3hvb n ALA 503 Ca 0.01 0.83 0.03 0.00 0.00 0.00 0.00 53.44 54.32 3hvb n ALA 503 Cb 0.75 -0.21 0.40 0.00 0.00 0.00 0.00 19.45 20.38 3hvb n ALA 503 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hvb h GLU 504 N 0.00 0.00 -0.32 0.00 4.81 -1.92 -1.58 114.58 115.58 3hvb h GLU 504 Ca 0.20 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 3hvb h GLU 504 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hvb h GLU 504 CO -0.89 0.32 -0.31 0.87 -0.73 0.00 0.00 179.01 178.27 3hvb h LYS 505 N 0.00 0.67 -0.17 1.92 1.57 -0.91 -0.91 116.57 118.75 3hvb h LYS 505 Ca -0.00 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3hvb h LYS 505 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3hvb h LYS 505 CO 0.04 0.90 -0.13 0.82 -0.57 0.00 0.00 179.45 180.51 3hvb h ILE 506 N 0.57 1.33 -0.67 1.86 2.04 -1.01 -2.57 117.51 119.06 3hvb h ILE 506 Ca 0.07 -1.24 0.13 0.00 1.00 0.00 0.00 64.86 64.81 3hvb h ILE 506 Cb 0.81 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 3hvb h ILE 506 CO 0.07 0.37 0.45 0.44 0.00 0.00 0.00 178.15 179.48 3hvb h ASP 507 N 0.04 0.35 0.57 1.72 3.32 -1.00 -0.21 116.42 121.22 3hvb h ASP 507 Ca 0.03 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3hvb h ASP 507 Cb 0.64 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3hvb h ASP 507 CO 0.03 0.20 -0.60 0.03 -1.72 0.00 0.00 179.24 177.18 3hvb h ARG 508 N 0.39 0.02 0.05 3.56 3.08 -0.98 -0.98 114.38 119.52 3hvb h ARG 508 Ca 0.32 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3hvb h ARG 508 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3hvb h ARG 508 CO -0.09 0.61 -0.02 2.35 -1.07 0.00 0.00 179.97 181.75 3hvb h TRP 509 N 0.02 -0.06 0.24 3.04 7.01 -0.65 -1.42 115.95 124.12 3hvb h TRP 509 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3hvb h TRP 509 Cb 1.06 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 3hvb h TRP 509 CO 0.00 0.33 -0.26 0.28 -2.79 0.00 0.00 178.44 176.00 3hvb h VAL 510 N -0.47 0.44 -1.00 2.65 2.07 -1.42 -1.65 116.25 116.88 3hvb h VAL 510 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 3hvb h VAL 510 Cb 0.42 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 3hvb h VAL 510 CO 0.01 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.63 3hvb h ILE 511 N -0.54 0.62 0.33 4.57 2.04 -1.20 0.40 117.51 123.74 3hvb h ILE 511 Ca -0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3hvb h ILE 511 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3hvb h ILE 511 CO -0.07 0.10 -0.16 -0.07 0.00 0.00 0.00 178.15 177.95 3hvb h LEU 512 N 0.57 -0.38 -2.19 1.44 3.38 -0.86 -2.39 115.31 114.89 3hvb h LEU 512 Ca 0.58 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.59 3hvb h LEU 512 Cb 1.17 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hvb h LEU 512 CO -0.34 -0.16 0.09 0.78 0.09 0.00 0.00 178.44 178.90 3hvb h ASN 513 N -0.67 0.00 0.66 -0.43 2.35 -1.18 -0.08 115.58 116.24 3hvb h ASN 513 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3hvb h ASN 513 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 3hvb h ASN 513 CO 0.08 0.00 -0.32 0.28 -1.65 0.00 0.00 177.43 175.82 3hvb h SER 514 N 0.00 -0.76 -0.98 5.81 0.02 -0.25 0.11 113.55 117.50 3hvb h SER 514 Ca 0.05 0.01 0.35 0.00 -0.84 0.00 0.00 61.79 61.36 3hvb h SER 514 Cb 0.23 0.20 -0.18 0.00 0.14 0.00 0.00 62.40 62.79 3hvb h SER 514 CO -0.00 -0.38 0.29 -0.38 -1.14 0.00 0.00 176.83 175.23 3hvb n ILE 515 N -5.38 -0.41 0.30 3.27 2.08 -0.80 -0.91 119.36 117.52 3hvb n ILE 515 Ca -0.12 2.08 -0.13 0.00 0.56 0.00 0.00 62.75 65.15 3hvb n ILE 515 Cb 0.36 -3.21 -0.06 0.00 -0.75 0.00 0.00 39.64 35.98 3hvb n ILE 515 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3hvb h LYS 516 N 0.00 -0.79 -0.42 0.38 3.64 -0.79 -2.82 116.57 115.77 3hvb h LYS 516 Ca 0.73 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 60.28 3hvb h LYS 516 Cb 1.76 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 3hvb h LYS 516 CO -0.84 -0.52 0.34 -0.07 -2.27 0.00 0.00 179.45 176.09 3hvb h LEU 517 N -1.16 0.00 -0.37 5.20 3.38 -0.04 -0.02 115.31 122.30 3hvb h LEU 517 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 3hvb h LEU 517 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hvb h LEU 517 CO 0.14 0.00 -0.65 0.25 0.09 0.00 0.00 178.44 178.27 3hvb h LEU 518 N 0.00 0.71 -0.15 1.67 5.85 -1.01 -2.62 115.31 119.76 3hvb h LEU 518 Ca 0.20 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3hvb h LEU 518 Cb 0.88 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3hvb h LEU 518 CO -0.00 1.18 -0.08 0.00 -0.34 0.00 0.00 178.44 179.20 3hvb h ALA 519 N 0.82 0.05 0.00 1.25 0.00 -0.73 0.66 119.26 121.31 3hvb h ALA 519 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hvb h ALA 519 Cb 1.23 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hvb h ALA 519 CO 0.13 -0.52 -0.06 0.93 0.00 0.00 0.00 179.25 179.73 3hvb h GLU 520 N -0.07 0.00 0.01 0.00 5.08 -1.48 0.03 114.58 118.15 3hvb h GLU 520 Ca 0.08 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.05 3hvb h GLU 520 Cb 0.19 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3hvb h GLU 520 CO -0.19 0.06 -2.18 1.58 -1.00 0.00 0.00 179.01 177.27 3hvb n HIS 521 N -3.39 0.33 -0.00 4.33 -0.00 -0.92 -3.39 115.22 112.17 3hvb n HIS 521 Ca -0.02 0.13 -0.00 0.00 0.46 0.00 0.00 57.72 58.29 3hvb n HIS 521 Cb 0.20 -1.03 0.29 0.00 -0.12 0.00 0.00 29.99 29.32 3hvb n HIS 521 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hvb h ARG 522 N -0.86 0.53 -0.09 1.57 3.08 0.27 -2.61 114.38 116.29 3hvb h ARG 522 Ca -0.59 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.15 3hvb h ARG 522 Cb 1.58 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 3hvb h ARG 522 CO -0.32 0.57 -0.76 0.00 -1.07 0.00 0.00 179.97 178.39 3hvb h ALA 523 N 1.48 0.52 -0.04 0.04 0.00 -1.13 -3.18 119.26 116.95 3hvb h ALA 523 Ca 0.11 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hvb h ALA 523 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hvb h ALA 523 CO 0.01 0.75 0.07 -0.22 0.00 0.00 0.00 179.25 179.86 3hvb h LYS 524 N 0.33 0.00 0.00 0.00 3.64 -1.48 -3.46 116.57 115.60 3hvb h LYS 524 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hvb h LYS 524 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3hvb h LYS 524 CO 0.14 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 3hvb n GLY 525 N -1.26 3.96 3.52 5.01 0.00 -1.15 -5.08 105.19 110.18 3hvb n GLY 525 Ca -0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3hvb n GLY 525 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hvb n HIS 526 N 0.00 -0.29 -3.89 1.61 8.25 -1.21 -4.99 115.22 114.70 3hvb n HIS 526 Ca 0.00 0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 57.51 3hvb n HIS 526 Cb 0.00 -1.96 -0.14 0.00 1.12 0.00 0.00 29.99 29.00 3hvb n HIS 526 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3hvb s GLN 527 N -3.11 1.48 0.21 -0.41 -2.07 -1.26 -4.26 119.66 110.24 3hvb s GLN 527 Ca 0.67 -2.01 0.11 0.00 -1.82 0.00 0.00 55.36 52.32 3hvb s GLN 527 Cb -0.33 -2.88 -0.05 0.00 -1.09 0.00 0.00 33.01 28.67 3hvb s GLN 527 CO 0.56 -1.04 -0.21 0.95 -1.32 0.00 0.00 175.29 174.22 3hvb s THR 528 N 0.53 2.48 0.03 3.63 -4.23 -1.26 -2.78 115.64 114.03 3hvb s THR 528 Ca 0.14 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3hvb s THR 528 Cb -0.22 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 3hvb s THR 528 CO -0.06 -0.18 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.08 3hvb s LYS 529 N -2.88 2.04 -0.08 3.99 1.02 -0.29 -4.88 119.74 118.65 3hvb s LYS 529 Ca 0.23 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3hvb s LYS 529 Cb -0.07 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3hvb s LYS 529 CO 0.12 0.54 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.46 3hvb s LEU 530 N -1.20 2.85 -0.42 3.17 1.43 -1.10 -1.27 118.68 122.13 3hvb s LEU 530 Ca 0.13 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 3hvb s LEU 530 Cb -0.10 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hvb s LEU 530 CO 0.03 0.30 0.44 -0.36 0.23 0.00 0.00 176.35 176.99 3hvb s PHE 531 N -0.45 3.17 -0.18 0.29 0.08 0.34 -0.07 117.98 121.16 3hvb s PHE 531 Ca 0.06 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 3hvb s PHE 531 Cb -0.12 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 3hvb s PHE 531 CO 0.02 -0.71 0.03 0.08 -0.10 0.00 0.00 175.22 174.54 3hvb s VAL 532 N 2.15 4.50 0.14 -0.44 1.01 0.41 -1.40 120.40 126.78 3hvb s VAL 532 Ca 0.12 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3hvb s VAL 532 Cb -0.17 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 3hvb s VAL 532 CO 0.14 0.47 1.25 -1.00 0.00 0.00 0.00 175.10 175.95 3hvb s HIS 533 N 0.42 3.37 -0.12 5.22 0.09 -1.26 -0.86 115.29 122.14 3hvb s HIS 533 Ca 0.01 1.28 -0.04 0.00 -0.00 0.00 0.00 55.06 56.30 3hvb s HIS 533 Cb -0.13 -3.50 -0.04 0.00 -0.00 0.00 0.00 32.58 28.91 3hvb s HIS 533 CO 0.01 -1.55 0.04 -0.51 -0.00 0.00 0.00 174.74 172.73 3hvb s LEU 534 N 0.33 3.77 0.39 0.89 1.43 -0.48 -4.86 118.68 120.15 3hvb s LEU 534 Ca 0.57 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 3hvb s LEU 534 Cb -0.33 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3hvb s LEU 534 CO 0.34 0.32 0.60 -0.94 0.23 0.00 0.00 176.35 176.90 3hvb s SER 535 N -0.53 6.10 0.24 2.29 1.04 -1.26 -4.49 113.70 117.09 3hvb s SER 535 Ca 0.10 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.83 3hvb s SER 535 Cb -0.12 -1.80 0.44 0.00 0.10 0.00 0.00 66.02 64.64 3hvb s SER 535 CO 0.02 -0.47 1.67 0.77 0.98 0.00 0.00 173.24 176.22 3hvb h SER 536 N 0.61 -0.09 -0.55 7.02 4.64 -1.99 -1.09 113.55 122.10 3hvb h SER 536 Ca -0.48 0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 3hvb h SER 536 Cb 1.23 0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 63.46 3hvb h SER 536 CO 0.59 -0.08 -0.51 0.00 -0.87 0.00 0.00 176.83 175.96 3hvb h ALA 537 N 1.62 -0.58 0.00 5.18 0.00 -1.95 -1.29 119.26 122.24 3hvb h ALA 537 Ca 0.40 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3hvb h ALA 537 Cb 0.69 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hvb h ALA 537 CO -0.54 -0.96 -0.12 0.77 0.00 0.00 0.00 179.25 178.41 3hvb h SER 538 N -0.28 0.00 -0.29 0.00 0.02 -1.57 -2.20 113.55 109.22 3hvb h SER 538 Ca 0.13 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 3hvb h SER 538 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3hvb h SER 538 CO -0.68 0.12 -0.44 0.25 -1.14 0.00 0.00 176.83 174.94 3hvb h LEU 539 N 0.00 0.88 -0.01 5.07 6.46 -0.60 -3.28 115.31 123.84 3hvb h LEU 539 Ca -0.00 -0.51 -0.15 0.00 -0.12 0.00 0.00 57.88 57.10 3hvb h LEU 539 Cb 0.36 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3hvb h LEU 539 CO 0.02 1.23 -0.58 1.56 -0.62 0.00 0.00 178.44 180.05 3hvb h GLN 540 N 0.57 0.40 -6.39 1.25 4.20 -0.91 -3.44 115.11 110.79 3hvb h GLN 540 Ca 0.03 -0.42 -0.61 0.00 0.06 0.00 0.00 58.65 57.70 3hvb h GLN 540 Cb 1.04 0.12 0.04 0.00 0.30 0.00 0.00 27.48 28.98 3hvb h GLN 540 CO 0.10 1.09 0.85 -3.47 -0.67 0.00 0.00 178.83 176.73 3hvb n ASP 541 N -4.24 2.97 0.00 1.46 4.64 -1.04 -4.89 116.55 115.46 3hvb n ASP 541 Ca -0.10 1.05 0.13 0.00 -1.38 0.00 0.00 54.79 54.49 3hvb n ASP 541 Cb 0.66 -1.36 0.35 0.00 -1.04 0.00 0.00 41.12 39.72 3hvb n ASP 541 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3hvb n PRO 542 N 4.36 0.01 0.00 -0.67 -0.02 -1.26 -3.73 135.00 133.69 3hvb n PRO 542 Ca 0.19 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 3hvb n PRO 542 Cb 0.27 -1.51 0.70 0.00 -0.02 0.00 0.00 33.50 32.94 3hvb n PRO 542 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hvb n GLY 543 N 1.49 -1.29 0.06 -1.23 0.00 -1.26 -4.15 105.19 98.82 3hvb n GLY 543 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3hvb n GLY 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hvb h LEU 544 N 0.06 -0.04 0.37 0.99 5.85 -1.89 -1.69 115.31 118.97 3hvb h LEU 544 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3hvb h LEU 544 Cb 0.34 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hvb h LEU 544 CO 0.00 0.08 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.91 3hvb h LEU 545 N -0.17 -0.52 -0.74 2.25 -0.00 -1.86 0.17 115.31 114.44 3hvb h LEU 545 Ca -0.01 0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.97 3hvb h LEU 545 Cb 0.15 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 40.87 3hvb h LEU 545 CO 0.01 -0.33 -0.44 -2.65 -0.00 0.00 0.00 178.44 175.03 3hvb n PRO 546 N -3.57 -0.33 -0.09 1.13 -0.02 -1.24 0.22 135.00 131.10 3hvb n PRO 546 Ca -0.07 1.15 0.05 0.00 -2.02 0.00 0.00 63.50 62.61 3hvb n PRO 546 Cb 0.22 -1.69 0.38 0.00 -0.02 0.00 0.00 33.50 32.39 3hvb n PRO 546 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hvb h TRP 547 N 0.00 0.65 -0.19 6.00 7.01 -1.21 -2.10 115.95 126.10 3hvb h TRP 547 Ca 0.12 0.02 -0.21 0.00 2.11 0.00 0.00 58.89 60.93 3hvb h TRP 547 Cb 0.31 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.16 3hvb h TRP 547 CO -0.79 0.38 -0.69 1.25 -2.79 0.00 0.00 178.44 175.80 3hvb h LEU 548 N 0.68 0.94 -0.15 0.65 6.46 0.23 -2.55 115.31 121.57 3hvb h LEU 548 Ca 0.23 -0.60 0.05 0.00 -0.12 0.00 0.00 57.88 57.43 3hvb h LEU 548 Cb 0.06 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 39.65 3hvb h LEU 548 CO -0.06 1.38 -0.34 1.23 -0.62 0.00 0.00 178.44 180.03 3hvb h GLY 549 N 0.56 -0.48 0.48 3.75 0.00 0.45 -1.23 103.07 106.60 3hvb h GLY 549 Ca -0.03 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.75 3hvb h GLY 549 CO 0.15 -0.22 -0.22 -0.39 0.00 0.00 0.00 176.54 175.85 3hvb h VAL 550 N -0.41 0.48 -0.63 4.60 -1.51 -1.48 -2.08 116.25 115.23 3hvb h VAL 550 Ca 0.10 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.68 3hvb h VAL 550 Cb 0.56 0.48 -0.04 0.00 -2.13 0.00 0.00 31.29 30.17 3hvb h VAL 550 CO -0.37 0.00 0.43 0.00 -1.23 0.00 0.00 177.57 176.39 3hvb h ALA 551 N 0.52 2.10 0.49 5.19 0.00 -1.01 -0.50 119.26 126.06 3hvb h ALA 551 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hvb h ALA 551 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hvb h ALA 551 CO -0.20 -0.26 -0.24 -0.07 0.00 0.00 0.00 179.25 178.48 3hvb h LEU 552 N 0.36 -0.56 -0.53 0.00 3.38 -0.68 -3.26 115.31 114.03 3hvb h LEU 552 Ca 0.30 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.35 3hvb h LEU 552 Cb 0.68 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3hvb h LEU 552 CO -0.08 -0.14 -0.14 0.11 0.09 0.00 0.00 178.44 178.28 3hvb h LYS 553 N -1.12 -0.01 -0.77 1.13 1.57 -0.83 -0.22 116.57 116.31 3hvb h LYS 553 Ca -0.07 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.94 3hvb h LYS 553 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3hvb h LYS 553 CO 0.11 -0.01 1.15 0.00 -0.57 0.00 0.00 179.45 180.14 3hvb h ALA 554 N 1.50 2.72 0.00 3.86 0.00 -1.17 -1.00 119.26 125.18 3hvb h ALA 554 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hvb h ALA 554 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hvb h ALA 554 CO -0.55 -1.55 0.00 0.00 0.00 0.00 0.00 179.25 177.15 3hvb n ALA 555 N -2.06 1.30 -3.91 0.00 0.00 -0.24 -5.03 120.51 110.56 3hvb n ALA 555 Ca 0.17 -0.59 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 3hvb n ALA 555 Cb 1.39 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.85 3hvb n ALA 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hvb n ARG 556 N -0.15 -4.70 -2.12 0.00 1.74 -0.33 -4.87 116.66 106.22 3hvb n ARG 556 Ca 0.00 0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 57.20 3hvb n ARG 556 Cb 0.35 -5.21 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 3hvb n ARG 556 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hvb s LEU 557 N -7.08 4.19 0.49 0.55 2.01 -1.21 -4.96 118.68 112.67 3hvb s LEU 557 Ca 0.41 1.98 -0.20 0.00 0.01 0.00 0.00 54.13 56.32 3hvb s LEU 557 Cb -0.21 -3.53 -0.11 0.00 0.01 0.00 0.00 46.19 42.35 3hvb s LEU 557 CO 0.85 -0.97 0.47 -2.65 1.01 0.00 0.00 176.35 175.05 3hvb n PRO 558 N 7.15 0.49 -1.69 1.29 -0.02 -1.26 -4.89 135.00 136.08 3hvb n PRO 558 Ca 0.17 0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 3hvb n PRO 558 Cb 0.44 -1.54 0.05 0.00 -0.02 0.00 0.00 33.50 32.43 3hvb n PRO 558 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hvb n PRO 559 N 0.43 1.30 -3.64 0.52 -0.02 -1.26 -3.40 135.00 128.93 3hvb n PRO 559 Ca 0.11 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 3hvb n PRO 559 Cb 0.44 -2.40 0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3hvb n PRO 559 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hvb n GLU 560 N -1.11 -6.09 -0.00 -0.52 -0.58 -0.44 -4.88 120.64 107.01 3hvb n GLU 560 Ca 0.12 0.72 0.02 0.00 -0.42 0.00 0.00 57.16 57.60 3hvb n GLU 560 Cb 0.46 -5.57 -0.03 0.00 -0.57 0.00 0.00 31.44 25.73 3hvb n GLU 560 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hvb n SER 561 N -3.03 4.01 -4.56 1.62 2.88 -1.22 -4.93 113.62 108.38 3hvb n SER 561 Ca -0.18 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.04 3hvb n SER 561 Cb 0.63 1.11 -0.11 0.00 -0.75 0.00 0.00 64.21 65.09 3hvb n SER 561 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hvb s LEU 562 N -3.44 3.02 -0.15 2.46 2.96 -1.26 -2.70 118.68 119.57 3hvb s LEU 562 Ca -0.02 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3hvb s LEU 562 Cb 0.03 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 45.00 3hvb s LEU 562 CO 0.18 0.25 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.76 3hvb s VAL 563 N -1.03 0.71 -0.09 1.68 1.01 0.90 -0.82 120.40 122.76 3hvb s VAL 563 Ca 0.18 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3hvb s VAL 563 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3hvb s VAL 563 CO 0.08 0.05 0.43 -0.36 0.00 0.00 0.00 175.10 175.30 3hvb s PHE 564 N 1.80 3.56 -0.26 5.22 0.08 0.38 -0.44 117.98 128.32 3hvb s PHE 564 Ca 0.01 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.95 3hvb s PHE 564 Cb -0.15 -2.45 0.05 0.00 -0.57 0.00 0.00 43.02 39.90 3hvb s PHE 564 CO -0.07 0.30 -0.10 -1.14 -0.10 0.00 0.00 175.22 174.10 3hvb s GLN 565 N 0.17 2.37 0.08 0.44 0.74 -0.04 0.11 119.66 123.53 3hvb s GLN 565 Ca 0.24 -1.27 0.09 0.00 0.05 0.00 0.00 55.36 54.47 3hvb s GLN 565 Cb -0.15 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 3hvb s GLN 565 CO 0.10 -0.53 -0.25 0.96 -0.55 0.00 0.00 175.29 175.02 3hvb s ILE 566 N 1.15 2.03 0.43 -2.34 -4.36 -0.64 -1.39 121.20 116.09 3hvb s ILE 566 Ca -0.07 -1.51 -0.22 0.00 -0.26 0.00 0.00 60.65 58.59 3hvb s ILE 566 Cb -0.19 -1.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 3hvb s ILE 566 CO -0.05 0.17 1.01 -0.94 0.24 0.00 0.00 174.94 175.37 3hvb s SER 567 N -1.63 6.70 0.29 4.36 1.04 -1.26 -1.96 113.70 121.24 3hvb s SER 567 Ca 0.11 1.88 0.03 0.00 0.48 0.00 0.00 55.95 58.46 3hvb s SER 567 Cb -0.10 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 64.12 3hvb s SER 567 CO 0.04 -0.53 1.78 -0.08 0.98 0.00 0.00 173.24 175.43 3hvb h GLU 568 N 2.03 0.75 -0.14 4.02 4.81 -1.19 0.77 114.58 125.64 3hvb h GLU 568 Ca -0.49 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.75 3hvb h GLU 568 Cb 1.21 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3hvb h GLU 568 CO 0.61 0.49 -0.27 0.00 -0.73 0.00 0.00 179.01 179.11 3hvb h ALA 569 N 1.61 -0.27 -0.22 2.92 0.00 -1.85 -1.31 119.26 120.14 3hvb h ALA 569 Ca 0.54 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.36 3hvb h ALA 569 Cb 0.77 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hvb h ALA 569 CO -0.36 -0.73 -0.38 -0.44 0.00 0.00 0.00 179.25 177.34 3hvb h ASP 570 N -0.33 0.51 -0.52 0.00 3.45 -1.51 -1.99 116.42 116.04 3hvb h ASP 570 Ca 0.10 -0.22 -0.09 0.00 0.43 0.00 0.00 57.03 57.26 3hvb h ASP 570 Cb 0.49 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3hvb h ASP 570 CO -0.33 0.85 0.00 0.00 -1.57 0.00 0.00 179.24 178.19 3hvb h ALA 571 N 1.18 0.95 -0.37 3.45 0.00 -0.54 -2.81 119.26 121.11 3hvb h ALA 571 Ca 0.04 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3hvb h ALA 571 Cb 0.85 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hvb h ALA 571 CO 0.07 0.63 -0.29 1.15 0.00 0.00 0.00 179.25 180.81 3hvb h THR 572 N 0.88 1.28 -0.77 0.00 2.02 -1.10 -2.66 112.91 112.57 3hvb h THR 572 Ca 0.16 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3hvb h THR 572 Cb 0.52 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 3hvb h THR 572 CO 0.03 0.48 0.45 0.28 0.37 0.00 0.00 175.52 177.13 3hvb h SER 573 N 0.66 0.94 -2.28 4.18 0.02 -1.29 -3.26 113.55 112.52 3hvb h SER 573 Ca 0.07 -0.08 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 3hvb h SER 573 Cb 0.87 -0.24 -0.41 0.00 0.14 0.00 0.00 62.40 62.76 3hvb h SER 573 CO 0.08 0.74 -0.55 -1.22 -1.14 0.00 0.00 176.83 174.74 3hvb n TYR 574 N -4.47 3.97 -0.24 3.45 4.01 -1.07 -4.97 117.16 117.85 3hvb n TYR 574 Ca 0.07 -3.94 -0.02 0.00 -0.16 0.00 0.00 57.90 53.86 3hvb n TYR 574 Cb 0.07 -0.53 0.10 0.00 -0.31 0.00 0.00 39.34 38.67 3hvb n TYR 574 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hvb h LEU 575 N 3.14 0.59 -0.54 7.72 6.46 -1.52 -1.83 115.31 129.33 3hvb h LEU 575 Ca 0.16 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.78 3hvb h LEU 575 Cb 0.50 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 3hvb h LEU 575 CO 0.84 0.38 -0.62 0.50 -0.62 0.00 0.00 178.44 178.92 3hvb h LYS 576 N 0.72 0.37 -0.16 1.25 3.64 -1.93 0.14 116.57 120.60 3hvb h LYS 576 Ca 0.30 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 3hvb h LYS 576 Cb 0.17 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hvb h LYS 576 CO -0.17 0.88 -0.46 1.96 -2.27 0.00 0.00 179.45 179.38 3hvb h GLN 577 N 0.27 0.60 -0.49 1.90 4.20 -1.89 0.98 115.11 120.69 3hvb h GLN 577 Ca -0.01 -0.43 0.05 0.00 0.06 0.00 0.00 58.65 58.33 3hvb h GLN 577 Cb 1.16 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 3hvb h GLN 577 CO 0.11 1.05 0.21 0.00 -0.67 0.00 0.00 178.83 179.52 3hvb h ALA 578 N 0.55 0.60 -0.88 3.87 0.00 -1.14 0.34 119.26 122.61 3hvb h ALA 578 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hvb h ALA 578 Cb 1.08 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3hvb h ALA 578 CO 0.10 -0.17 0.57 -0.22 0.00 0.00 0.00 179.25 179.53 3hvb h LYS 579 N 0.41 0.95 -0.09 0.00 3.64 -0.59 -1.49 116.57 119.41 3hvb h LYS 579 Ca 0.22 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 3hvb h LYS 579 Cb 0.19 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3hvb h LYS 579 CO -0.20 0.63 -0.50 1.96 -2.27 0.00 0.00 179.45 179.08 3hvb h GLN 580 N 0.98 0.49 0.29 1.90 4.20 0.11 -2.37 115.11 120.71 3hvb h GLN 580 Ca 0.38 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3hvb h GLN 580 Cb 0.21 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3hvb h GLN 580 CO -0.14 1.04 -0.30 1.25 -0.67 0.00 0.00 178.83 180.01 3hvb h LEU 581 N 0.07 -0.84 -1.21 1.46 6.46 -0.24 -1.44 115.31 119.58 3hvb h LEU 581 Ca -0.04 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 57.99 3hvb h LEU 581 Cb 1.15 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 41.27 3hvb h LEU 581 CO 0.10 -0.40 0.61 0.71 -0.62 0.00 0.00 178.44 178.85 3hvb h THR 582 N -0.59 0.69 -0.38 1.05 1.35 -1.37 1.03 112.91 114.69 3hvb h THR 582 Ca -0.04 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 3hvb h THR 582 Cb 0.52 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 3hvb h THR 582 CO -0.04 0.11 0.22 1.56 -0.25 0.00 0.00 175.52 177.12 3hvb h GLN 583 N 0.63 0.53 -0.06 4.72 1.08 -1.22 -2.67 115.11 118.11 3hvb h GLN 583 Ca 0.54 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.50 3hvb h GLN 583 Cb 1.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 3hvb h GLN 583 CO -0.30 0.42 -0.74 0.78 -0.95 0.00 0.00 178.83 178.03 3hvb h GLY 584 N 0.49 0.38 1.58 3.46 0.00 0.09 -2.94 103.07 106.13 3hvb h GLY 584 Ca 0.13 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 46.97 3hvb h GLY 584 CO -0.02 0.49 0.15 1.41 0.00 0.00 0.00 176.54 178.57 3hvb h LEU 585 N 0.23 0.00 -0.09 3.11 3.38 0.11 -2.60 115.31 119.45 3hvb h LEU 585 Ca -0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 3hvb h LEU 585 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hvb h LEU 585 CO 0.12 0.00 -1.03 0.00 0.09 0.00 0.00 178.44 177.63 3hvb h ALA 586 N 1.88 0.32 0.00 1.53 0.00 -1.29 -1.94 119.26 119.77 3hvb h ALA 586 Ca 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3hvb h ALA 586 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hvb h ALA 586 CO -0.00 0.95 -0.04 1.79 0.00 0.00 0.00 179.25 181.95 3hvb h THR 587 N 0.11 0.10 -0.01 0.00 1.35 -1.49 -0.93 112.91 112.04 3hvb h THR 587 Ca -0.08 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3hvb h THR 587 Cb 1.71 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3hvb h THR 587 CO 0.16 0.03 -0.16 0.18 -0.25 0.00 0.00 175.52 175.48 3hvb n LEU 588 N -3.16 0.98 -2.81 3.87 4.77 -1.13 -4.94 117.00 114.58 3hvb n LEU 588 Ca -0.00 -0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 55.65 3hvb n LEU 588 Cb 0.29 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3hvb n LEU 588 CO 0.27 0.18 0.11 1.41 -1.33 0.00 0.00 177.39 178.03 3hvb n HIS 589 N -0.55 -2.06 -4.16 -1.77 8.25 -0.35 -4.83 115.22 109.76 3hvb n HIS 589 Ca 0.14 0.74 -0.10 0.00 -0.26 0.00 0.00 57.72 58.25 3hvb n HIS 589 Cb 0.33 -3.69 -0.10 0.00 1.12 0.00 0.00 29.99 27.65 3hvb n HIS 589 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hvb s GLN 591 N -3.93 1.68 0.09 0.00 -0.21 -0.00 -4.28 119.66 113.01 3hvb s GLN 591 Ca 0.16 -1.83 0.08 0.00 0.02 0.00 0.00 55.36 53.79 3hvb s GLN 591 Cb 0.07 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 3hvb s GLN 591 CO -0.03 0.18 -0.20 0.00 -2.12 0.00 0.00 175.29 173.12 3hvb s ALA 592 N -2.70 1.74 0.04 6.09 0.00 -1.26 0.14 121.76 125.82 3hvb s ALA 592 Ca 0.30 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3hvb s ALA 592 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3hvb s ALA 592 CO 0.14 0.35 -0.11 0.00 0.00 0.00 0.00 175.76 176.15 3hvb s ALA 593 N -1.09 0.85 -0.16 0.00 0.00 0.29 -2.52 121.76 119.13 3hvb s ALA 593 Ca 0.06 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 3hvb s ALA 593 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3hvb s ALA 593 CO 0.04 0.11 0.02 0.42 0.00 0.00 0.00 175.76 176.35 3hvb s ILE 594 N -1.01 4.46 0.48 0.00 -1.09 -0.87 -1.61 121.20 121.55 3hvb s ILE 594 Ca -0.03 -0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 3hvb s ILE 594 Cb -0.08 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 3hvb s ILE 594 CO 0.01 0.49 0.35 -0.94 -1.23 0.00 0.00 174.94 173.62 3hvb s SER 595 N 0.20 4.73 -1.01 3.58 1.04 -0.83 0.20 113.70 121.62 3hvb s SER 595 Ca 0.02 -1.04 -0.07 0.00 0.48 0.00 0.00 55.95 55.34 3hvb s SER 595 Cb -0.13 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.96 3hvb s SER 595 CO 0.01 -0.84 0.29 0.00 0.98 0.00 0.00 173.24 173.68 3hvb n GLN 596 N -1.59 -2.76 -2.65 4.02 3.00 -1.03 -0.77 117.38 115.60 3hvb n GLN 596 Ca 0.00 0.35 -0.41 0.00 -0.01 0.00 0.00 57.00 56.93 3hvb n GLN 596 Cb 0.63 -4.97 -0.04 0.00 0.00 0.00 0.00 30.24 25.87 3hvb n GLN 596 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3hvb s PHE 597 N -2.69 3.70 0.00 1.08 5.36 -0.86 -4.19 117.98 120.38 3hvb s PHE 597 Ca 0.28 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 3hvb s PHE 597 Cb -0.15 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 3hvb s PHE 597 CO 0.34 -0.15 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 3hvb n GLY 598 N 2.39 1.03 0.04 13.12 0.00 -1.26 -1.59 105.19 118.92 3hvb n GLY 598 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3hvb n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvb s SER 600 N -4.81 4.99 0.23 0.00 1.04 -1.26 -4.95 113.70 108.94 3hvb s SER 600 Ca -0.07 1.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.87 3hvb s SER 600 Cb 0.12 -2.39 0.33 0.00 0.10 0.00 0.00 66.02 64.18 3hvb s SER 600 CO 0.88 -1.69 1.81 -0.07 0.98 0.00 0.00 173.24 175.16 3hvb h LEU 601 N -0.89 0.65 -6.17 2.42 3.38 -2.04 -3.22 115.31 109.44 3hvb h LEU 601 Ca -0.45 0.04 -0.58 0.00 0.09 0.00 0.00 57.88 56.98 3hvb h LEU 601 Cb 1.23 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.49 3hvb h LEU 601 CO 0.56 0.39 -0.95 0.59 0.09 0.00 0.00 178.44 179.13 3hvb n ASN 602 N -4.74 0.99 -0.37 -0.43 3.02 -1.26 -5.00 115.26 107.47 3hvb n ASN 602 Ca 0.11 -2.83 0.29 0.00 -0.03 0.00 0.00 54.58 52.13 3hvb n ASN 602 Cb 0.22 -0.64 0.57 0.00 -0.61 0.00 0.00 39.78 39.33 3hvb n ASN 602 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hvb h PRO 603 N 4.39 0.24 0.00 3.52 0.11 -1.91 0.16 132.00 138.51 3hvb h PRO 603 Ca 0.14 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 3hvb h PRO 603 Cb 0.83 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3hvb h PRO 603 CO 0.54 0.16 -0.36 0.74 -0.21 0.00 0.00 178.00 178.87 3hvb h PHE 604 N 0.25 0.00 0.17 0.65 0.04 -1.94 -3.31 116.94 112.79 3hvb h PHE 604 Ca 0.69 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.46 3hvb h PHE 604 Cb 1.98 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.12 3hvb h PHE 604 CO -0.00 0.36 -0.14 -0.91 -0.60 0.00 0.00 178.31 177.02 3hvb h ASN 605 N 0.00 -0.37 -0.75 2.17 -0.26 -1.12 -2.42 115.58 112.82 3hvb h ASN 605 Ca -0.00 0.03 0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3hvb h ASN 605 Cb 1.10 0.13 -0.08 0.00 -1.06 0.00 0.00 38.32 38.41 3hvb h ASN 605 CO 0.05 -0.22 0.37 0.00 -1.06 0.00 0.00 177.43 176.57 3hvb h ALA 606 N 0.48 1.07 -0.13 -0.83 0.00 -1.68 -2.03 119.26 116.13 3hvb h ALA 606 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hvb h ALA 606 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hvb h ALA 606 CO -0.02 -0.07 0.33 -0.07 0.00 0.00 0.00 179.25 179.41 3hvb h LEU 607 N 0.59 0.00 -0.92 0.00 4.07 -1.55 -2.85 115.31 114.65 3hvb h LEU 607 Ca 0.39 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.25 3hvb h LEU 607 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3hvb h LEU 607 CO -0.31 0.00 -0.25 0.11 -1.08 0.00 0.00 178.44 176.91 3hvb h LYS 608 N 0.00 0.50 -0.01 1.13 1.79 -1.32 -2.96 116.57 115.70 3hvb h LYS 608 Ca 0.06 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3hvb h LYS 608 Cb 0.72 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3hvb h LYS 608 CO -0.00 0.71 -0.56 0.72 -1.08 0.00 0.00 179.45 179.24 3hvb n HIS 609 N -4.12 0.00 -3.71 -1.35 8.25 -1.08 -4.90 115.22 108.31 3hvb n HIS 609 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3hvb n HIS 609 Cb 0.41 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 3hvb n HIS 609 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hvb s LEU 610 N -2.71 4.39 -0.74 2.41 1.43 -1.12 -4.67 118.68 117.67 3hvb s LEU 610 Ca 0.16 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 3hvb s LEU 610 Cb 0.18 -2.59 0.17 0.00 0.03 0.00 0.00 46.19 43.97 3hvb s LEU 610 CO 0.66 0.28 0.76 -0.89 0.23 0.00 0.00 176.35 177.39 3hvb s THR 611 N -1.23 5.26 -0.00 5.49 2.01 -1.26 -4.97 115.64 120.95 3hvb s THR 611 Ca 0.25 -1.88 0.03 0.00 0.31 0.00 0.00 61.69 60.40 3hvb s THR 611 Cb -0.14 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 3hvb s THR 611 CO 0.14 -1.09 -0.08 0.68 -0.69 0.00 0.00 174.62 173.58 3hvb s VAL 612 N 1.27 0.65 -0.19 3.82 -7.23 -1.26 -4.53 120.40 112.92 3hvb s VAL 612 Ca 0.16 -0.39 -0.06 0.00 -1.81 0.00 0.00 61.98 59.88 3hvb s VAL 612 Cb -0.16 -0.55 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 3hvb s VAL 612 CO -0.04 0.15 -0.22 0.00 -0.31 0.00 0.00 175.10 174.69 3hvb n GLN 613 N 2.80 0.43 -3.89 4.82 3.00 -1.05 -4.92 117.38 118.57 3hvb n GLN 613 Ca -0.14 0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.65 3hvb n GLN 613 Cb 0.57 -1.26 -0.08 0.00 0.00 0.00 0.00 30.24 29.47 3hvb n GLN 613 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3hvb s PHE 614 N -2.36 3.39 -0.21 1.08 0.08 -1.05 -1.08 117.98 117.83 3hvb s PHE 614 Ca -0.26 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 3hvb s PHE 614 Cb 0.09 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3hvb s PHE 614 CO 0.37 0.37 -0.11 0.42 -0.10 0.00 0.00 175.22 176.18 3hvb s ILE 615 N -0.05 2.79 -0.27 0.64 1.09 -0.42 -2.04 121.20 122.94 3hvb s ILE 615 Ca 0.09 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 58.79 3hvb s ILE 615 Cb -0.12 -2.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.97 3hvb s ILE 615 CO 0.00 0.43 0.16 -0.75 -0.10 0.00 0.00 174.94 174.69 3hvb s LYS 616 N 1.38 3.92 0.29 2.79 2.20 0.13 -1.08 119.74 129.38 3hvb s LYS 616 Ca 0.05 -0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.07 3hvb s LYS 616 Cb -0.14 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 3hvb s LYS 616 CO -0.07 -0.13 0.89 0.42 -0.36 0.00 0.00 175.35 176.10 3hvb s ILE 617 N 1.58 4.29 0.44 5.43 1.01 -0.16 -2.04 121.20 131.77 3hvb s ILE 617 Ca 0.07 1.71 -0.25 0.00 0.00 0.00 0.00 60.65 62.17 3hvb s ILE 617 Cb -0.15 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 3hvb s ILE 617 CO 0.08 0.19 1.41 -0.62 0.00 0.00 0.00 174.94 176.01 3hvb s ASP 618 N -1.59 5.93 0.51 3.58 2.15 -0.62 -4.50 116.67 122.14 3hvb s ASP 618 Ca 0.48 2.89 0.23 0.00 0.43 0.00 0.00 52.55 56.57 3hvb s ASP 618 Cb -0.19 -2.65 1.37 0.00 -0.30 0.00 0.00 42.92 41.15 3hvb s ASP 618 CO 0.24 -1.13 2.09 1.23 -0.17 0.00 0.00 175.17 177.43 3hvb h GLY 619 N 2.38 0.00 0.44 2.66 0.00 -1.93 -2.22 103.07 104.40 3hvb h GLY 619 Ca -0.51 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.03 3hvb h GLY 619 CO 0.61 0.00 0.58 1.48 0.00 0.00 0.00 176.54 179.21 3hvb h SER 620 N 0.00 0.00 0.63 0.19 4.64 -1.98 0.29 113.55 117.31 3hvb h SER 620 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3hvb h SER 620 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hvb h SER 620 CO 0.01 0.00 -0.48 -0.26 -0.87 0.00 0.00 176.83 175.24 3hvb h PHE 621 N 0.00 0.00 -1.96 4.77 0.04 -1.77 -3.28 116.94 114.74 3hvb h PHE 621 Ca 0.34 0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.35 3hvb h PHE 621 Cb 1.50 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 39.40 3hvb h PHE 621 CO 0.00 0.48 1.12 0.28 -0.60 0.00 0.00 178.31 179.59 3hvb n VAL 622 N -3.77 4.86 -4.06 -0.55 0.31 0.10 -4.88 118.33 110.34 3hvb n VAL 622 Ca -0.01 -4.95 -0.14 0.00 -0.01 0.00 0.00 64.34 59.23 3hvb n VAL 622 Cb 0.53 -1.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.84 3hvb n VAL 622 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3hvb s GLN 623 N -3.75 0.37 -1.24 5.55 -0.21 -1.24 -4.86 119.66 114.28 3hvb s GLN 623 Ca 0.47 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.31 3hvb s GLN 623 Cb 0.30 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.07 3hvb s GLN 623 CO -0.25 0.06 0.64 -3.47 -2.12 0.00 0.00 175.29 170.15 3hvb n ASP 624 N 2.39 -3.50 0.03 5.90 4.64 -1.26 -4.83 116.55 119.93 3hvb n ASP 624 Ca -0.17 -1.08 0.13 0.00 -1.38 0.00 0.00 54.79 52.29 3hvb n ASP 624 Cb 0.57 -2.88 0.32 0.00 -1.04 0.00 0.00 41.12 38.09 3hvb n ASP 624 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3hvb n LEU 625 N -4.43 0.50 0.08 -2.67 4.77 -1.26 -3.42 117.00 110.57 3hvb n LEU 625 Ca -0.16 0.25 0.19 0.00 -0.03 0.00 0.00 56.01 56.26 3hvb n LEU 625 Cb 0.61 -0.29 0.73 0.00 -2.33 0.00 0.00 43.42 42.15 3hvb n LEU 625 CO 0.71 0.00 1.17 -0.55 -1.33 0.00 0.00 177.39 177.39 3hvb h ASN 626 N 0.00 0.00 -3.37 -1.43 -1.07 -2.02 -3.41 115.58 104.29 3hvb h ASN 626 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 3hvb h ASN 626 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.87 3hvb h ASN 626 CO 0.00 0.00 0.51 -1.10 0.07 0.00 0.00 177.43 176.91 3hvb s GLN 627 N -4.85 4.51 0.22 4.14 -0.21 -1.22 -4.97 119.66 117.28 3hvb s GLN 627 Ca -0.05 1.73 -0.08 0.00 0.02 0.00 0.00 55.36 56.99 3hvb s GLN 627 Cb 0.18 -3.32 0.19 0.00 1.00 0.00 0.00 33.01 31.06 3hvb s GLN 627 CO 0.65 -0.11 1.85 -0.24 -2.12 0.00 0.00 175.29 175.32 3hvb h VAL 628 N 4.18 1.25 -0.78 1.09 3.04 -1.91 -3.14 116.25 119.98 3hvb h VAL 628 Ca -0.43 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 3hvb h VAL 628 Cb 1.21 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 3hvb h VAL 628 CO 0.77 0.28 0.49 -0.08 -1.01 0.00 0.00 177.57 178.02 3hvb h GLU 629 N 1.19 1.05 -0.84 4.17 4.81 -1.93 -2.20 114.58 120.84 3hvb h GLU 629 Ca 0.30 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3hvb h GLU 629 Cb 0.03 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 3hvb h GLU 629 CO -0.05 0.72 0.51 -0.91 -0.73 0.00 0.00 179.01 178.56 3hvb h ASN 630 N 1.07 1.00 -0.77 1.04 2.35 -1.83 -0.37 115.58 118.06 3hvb h ASN 630 Ca 0.28 -0.06 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 3hvb h ASN 630 Cb -0.08 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 37.97 3hvb h ASN 630 CO -0.06 0.76 0.41 1.56 -1.65 0.00 0.00 177.43 178.45 3hvb h GLN 631 N 1.15 0.65 -0.41 0.81 4.20 -1.42 -0.81 115.11 119.28 3hvb h GLN 631 Ca 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3hvb h GLN 631 Cb -0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3hvb h GLN 631 CO -0.06 0.43 0.21 0.93 -0.67 0.00 0.00 178.83 179.67 3hvb h GLU 632 N 0.67 0.58 0.26 1.46 4.39 -0.55 -0.72 114.58 120.67 3hvb h GLU 632 Ca 0.38 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.01 3hvb h GLU 632 Cb 0.41 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3hvb h GLU 632 CO -0.27 0.49 -0.35 0.82 -1.16 0.00 0.00 179.01 178.54 3hvb h ILE 633 N 0.52 0.28 -0.53 3.13 2.04 -0.58 -2.67 117.51 119.71 3hvb h ILE 633 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 3hvb h ILE 633 Cb 0.09 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3hvb h ILE 633 CO -0.02 0.00 0.31 0.25 0.00 0.00 0.00 178.15 178.69 3hvb h LEU 634 N -0.66 0.49 -1.29 1.44 6.46 -1.07 -1.73 115.31 118.94 3hvb h LEU 634 Ca -0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3hvb h LEU 634 Cb 0.63 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 3hvb h LEU 634 CO -0.12 0.34 0.24 0.50 -0.62 0.00 0.00 178.44 178.79 3hvb h LYS 635 N 0.60 0.73 -0.26 1.25 3.64 -1.05 -1.40 116.57 120.08 3hvb h LYS 635 Ca 0.22 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3hvb h LYS 635 Cb 0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3hvb h LYS 635 CO -0.11 0.57 -0.17 0.78 -2.27 0.00 0.00 179.45 178.26 3hvb h GLY 636 N 0.84 0.62 0.10 5.01 0.00 -1.09 -0.41 103.07 108.15 3hvb h GLY 636 Ca 0.18 -0.58 0.10 0.00 0.00 0.00 0.00 47.33 47.02 3hvb h GLY 636 CO -0.02 0.53 -0.07 -2.00 0.00 0.00 0.00 176.54 174.97 3hvb h LEU 637 N 0.29 -0.35 -0.61 3.11 6.46 -0.81 -0.05 115.31 123.35 3hvb h LEU 637 Ca 0.05 0.13 -0.15 0.00 -0.12 0.00 0.00 57.88 57.79 3hvb h LEU 637 Cb 0.70 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 3hvb h LEU 637 CO 0.05 -0.13 -0.66 0.40 -0.62 0.00 0.00 178.44 177.48 3hvb h ILE 638 N 0.04 1.43 -0.36 4.05 2.04 -1.19 -1.48 117.51 122.04 3hvb h ILE 638 Ca 0.24 -2.16 -0.02 0.00 1.00 0.00 0.00 64.86 63.92 3hvb h ILE 638 Cb 0.36 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3hvb h ILE 638 CO -0.46 0.63 0.15 0.00 0.00 0.00 0.00 178.15 178.47 3hvb h ALA 639 N 1.21 0.46 -0.04 1.87 0.00 -0.53 -0.02 119.26 122.21 3hvb h ALA 639 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hvb h ALA 639 Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hvb h ALA 639 CO 0.10 0.05 -0.04 1.49 0.00 0.00 0.00 179.25 180.85 3hvb h GLU 640 N 0.43 0.10 -0.95 0.00 4.81 -0.91 -1.90 114.58 116.16 3hvb h GLU 640 Ca 0.12 -0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.58 3hvb h GLU 640 Cb 0.16 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.38 3hvb h GLU 640 CO -0.01 0.54 0.17 -0.07 -0.73 0.00 0.00 179.01 178.91 3hvb h LEU 641 N -0.35 -0.21 -0.92 1.64 3.38 -1.18 0.36 115.31 118.02 3hvb h LEU 641 Ca 0.01 0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3hvb h LEU 641 Cb 0.52 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hvb h LEU 641 CO 0.01 -0.31 -0.34 -0.74 0.09 0.00 0.00 178.44 177.15 3hvb h HIS 642 N 0.07 0.43 0.00 1.13 2.76 -0.73 -1.97 115.15 116.83 3hvb h HIS 642 Ca 0.62 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.67 3hvb h HIS 642 Cb 1.34 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 3hvb h HIS 642 CO -0.35 0.67 -0.08 1.49 -1.30 0.00 0.00 177.93 178.36 3hvb h GLU 643 N 0.32 0.00 -0.80 5.26 4.57 0.49 -1.52 114.58 122.91 3hvb h GLU 643 Ca 0.04 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.01 3hvb h GLU 643 Cb 0.76 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.23 3hvb h GLU 643 CO 0.06 0.08 0.27 1.04 -1.18 0.00 0.00 179.01 179.27 3hvb n GLN 644 N -3.67 3.43 -2.33 1.92 1.13 -0.74 -4.92 117.38 112.20 3hvb n GLN 644 Ca -0.02 -2.76 -0.01 0.00 -1.94 0.00 0.00 57.00 52.26 3hvb n GLN 644 Cb 0.19 -2.13 -0.00 0.00 0.11 0.00 0.00 30.24 28.41 3hvb n GLN 644 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hvb n GLN 645 N -0.13 -2.71 -2.60 -1.09 0.00 -0.57 -4.92 117.38 105.35 3hvb n GLN 645 Ca 0.38 0.06 -0.29 0.00 0.00 0.00 0.00 57.00 57.15 3hvb n GLN 645 Cb 1.31 -4.52 -0.01 0.00 0.00 0.00 0.00 30.24 27.02 3hvb n GLN 645 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3hvb s LYS 646 N -4.68 3.61 -0.32 2.61 -0.14 -0.79 -5.00 119.74 115.03 3hvb s LYS 646 Ca 0.00 0.34 -0.11 0.00 -1.36 0.00 0.00 55.97 54.85 3hvb s LYS 646 Cb 0.00 -2.34 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 3hvb s LYS 646 CO 0.00 -0.21 0.18 -0.51 -0.76 0.00 0.00 175.35 174.05 3hvb s LEU 647 N -4.55 4.26 0.09 3.17 1.43 -0.24 -4.38 118.68 118.46 3hvb s LEU 647 Ca 0.49 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.75 3hvb s LEU 647 Cb -0.10 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 3hvb s LEU 647 CO 0.42 -0.22 1.28 -0.94 0.23 0.00 0.00 176.35 177.12 3hvb s SER 648 N 1.64 6.98 -0.12 2.29 1.04 -1.26 -1.30 113.70 122.96 3hvb s SER 648 Ca 0.05 2.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.63 3hvb s SER 648 Cb -0.17 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 3hvb s SER 648 CO 0.07 -0.54 -0.10 -0.63 0.98 0.00 0.00 173.24 173.03 3hvb s ILE 649 N 0.97 3.34 -0.10 -1.02 1.01 -0.24 -0.16 121.20 125.01 3hvb s ILE 649 Ca 0.61 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3hvb s ILE 649 Cb -0.33 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hvb s ILE 649 CO 0.30 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.88 3hvb s VAL 650 N 0.16 1.80 0.54 2.92 1.01 -0.86 -0.98 120.40 124.99 3hvb s VAL 650 Ca -0.05 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3hvb s VAL 650 Cb -0.15 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3hvb s VAL 650 CO 0.04 0.50 0.75 -2.16 0.00 0.00 0.00 175.10 174.24 3hvb s PRO 651 N 0.51 2.57 -0.64 2.72 0.05 -1.26 -1.43 135.00 137.53 3hvb s PRO 651 Ca -0.16 -0.84 0.00 0.00 0.05 0.00 0.00 61.00 60.06 3hvb s PRO 651 Cb -0.17 -2.52 0.00 0.00 0.05 0.00 0.00 34.50 31.86 3hvb s PRO 651 CO 0.06 -0.66 0.00 1.19 0.05 0.00 0.00 177.00 177.64 3hvb n PHE 652 N -2.29 -0.30 -1.82 0.56 3.72 -0.11 -4.86 117.46 112.36 3hvb n PHE 652 Ca 0.08 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 3hvb n PHE 652 Cb 0.60 -1.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.13 3hvb n PHE 652 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hvb s VAL 653 N -2.35 3.23 -1.28 -4.37 1.01 -0.86 -4.80 120.40 110.98 3hvb s VAL 653 Ca 0.00 0.18 0.14 0.00 0.00 0.00 0.00 61.98 62.30 3hvb s VAL 653 Cb 0.00 -3.46 0.35 0.00 0.00 0.00 0.00 36.38 33.27 3hvb s VAL 653 CO 0.00 -0.40 1.28 -0.62 0.00 0.00 0.00 175.10 175.35 3hvb n GLU 654 N 8.91 2.58 -3.59 2.72 4.71 -1.26 -2.25 120.64 132.45 3hvb n GLU 654 Ca 0.27 -2.09 -0.06 0.00 -0.01 0.00 0.00 57.16 55.28 3hvb n GLU 654 Cb 0.51 -1.34 -0.03 0.00 -1.01 0.00 0.00 31.44 29.57 3hvb n GLU 654 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hvb s SER 655 N -1.03 -0.19 0.15 1.62 1.04 -1.26 -4.68 113.70 109.36 3hvb s SER 655 Ca 0.28 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.54 3hvb s SER 655 Cb 0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3hvb s SER 655 CO 0.20 -0.26 1.59 0.00 0.98 0.00 0.00 173.24 175.75 3hvb h ALA 656 N 2.12 -0.37 -0.75 5.32 0.00 -1.94 -2.24 119.26 121.42 3hvb h ALA 656 Ca -0.12 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hvb h ALA 656 Cb 1.18 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 19.60 3hvb h ALA 656 CO 0.25 -0.81 -0.38 0.45 0.00 0.00 0.00 179.25 178.75 3hvb n SER 657 N -5.42 -0.67 -0.14 0.00 2.88 -1.26 -0.84 113.62 108.17 3hvb n SER 657 Ca -0.01 1.32 -0.03 0.00 -1.33 0.00 0.00 58.87 58.82 3hvb n SER 657 Cb 0.34 -0.22 0.18 0.00 -0.75 0.00 0.00 64.21 63.76 3hvb n SER 657 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3hvb h VAL 658 N 0.00 1.23 -0.05 2.46 2.07 -1.82 -2.56 116.25 117.58 3hvb h VAL 658 Ca 0.17 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hvb h VAL 658 Cb 0.36 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3hvb h VAL 658 CO -0.72 0.31 -0.21 0.25 0.02 0.00 0.00 177.57 177.22 3hvb h LEU 659 N 0.83 -0.63 -0.70 2.57 6.46 -0.45 -0.11 115.31 123.27 3hvb h LEU 659 Ca 0.18 0.10 0.13 0.00 -0.12 0.00 0.00 57.88 58.17 3hvb h LEU 659 Cb 0.29 0.27 -0.13 0.00 -0.73 0.00 0.00 40.66 40.36 3hvb h LEU 659 CO -0.00 -0.27 -0.27 0.00 -0.62 0.00 0.00 178.44 177.27 3hvb h ALA 660 N 0.61 0.21 0.00 1.25 0.00 -1.16 -1.11 119.26 119.07 3hvb h ALA 660 Ca 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hvb h ALA 660 Cb 0.41 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hvb h ALA 660 CO -0.23 -0.55 -0.03 1.15 0.00 0.00 0.00 179.25 179.59 3hvb h THR 661 N -0.08 0.43 0.00 0.00 2.02 -0.64 -1.70 112.91 112.95 3hvb h THR 661 Ca 0.30 -0.15 -0.31 0.00 0.77 0.00 0.00 66.41 67.02 3hvb h THR 661 Cb 0.55 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3hvb h THR 661 CO -0.75 0.03 -1.83 0.18 0.37 0.00 0.00 175.52 173.52 3hvb n LEU 662 N -3.64 0.77 0.01 2.58 4.77 -0.67 -2.61 117.00 118.21 3hvb n LEU 662 Ca -0.03 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3hvb n LEU 662 Cb 0.13 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3hvb n LEU 662 CO 0.27 0.42 0.86 -0.25 -1.33 0.00 0.00 177.39 177.35 3hvb h TRP 663 N 0.00 -0.03 -0.65 -1.77 7.01 -0.79 -2.33 115.95 117.40 3hvb h TRP 663 Ca -0.33 0.01 0.14 0.00 2.11 0.00 0.00 58.89 60.81 3hvb h TRP 663 Cb 2.05 0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 29.03 3hvb h TRP 663 CO 0.00 -0.02 0.02 0.37 -2.79 0.00 0.00 178.44 176.02 3hvb h GLN 664 N 0.01 0.13 0.00 2.65 5.75 -1.39 -1.29 115.11 120.96 3hvb h GLN 664 Ca 0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3hvb h GLN 664 Cb 0.05 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3hvb h GLN 664 CO -0.06 0.09 0.00 0.00 -2.65 0.00 0.00 178.83 176.20 3hvb h ALA 665 N 1.58 1.00 0.00 3.38 0.00 -1.24 -3.46 119.26 120.52 3hvb h ALA 665 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hvb h ALA 665 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hvb h ALA 665 CO -0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.12 3hvb n GLY 666 N -0.17 0.65 3.62 0.00 0.00 -0.49 -4.63 105.19 104.16 3hvb n GLY 666 Ca 0.01 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.40 3hvb n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvb n ALA 667 N -1.25 -2.52 0.04 4.61 0.00 -0.92 -4.87 120.51 115.60 3hvb n ALA 667 Ca 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 3hvb n ALA 667 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 3hvb n ALA 667 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hvb h THR 668 N 3.97 1.14 -2.83 0.00 1.03 -1.84 -3.41 112.91 110.96 3hvb h THR 668 Ca -0.48 -2.85 -0.46 0.00 -0.01 0.00 0.00 66.41 62.62 3hvb h THR 668 Cb 1.40 2.68 -0.14 0.00 -1.07 0.00 0.00 68.15 71.01 3hvb h THR 668 CO 0.81 0.77 -0.71 -0.31 -0.01 0.00 0.00 175.52 176.07 3hvb s TYR 669 N -2.62 1.78 0.18 0.00 2.02 0.78 -1.31 117.35 118.17 3hvb s TYR 669 Ca -0.07 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 55.97 3hvb s TYR 669 Cb 0.08 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 3hvb s TYR 669 CO 0.84 0.31 0.15 0.96 -1.57 0.00 0.00 175.55 176.23 3hvb s ILE 670 N -3.02 0.04 -0.21 2.71 -4.36 0.18 -2.02 121.20 114.53 3hvb s ILE 670 Ca 0.25 -1.88 -0.25 0.00 -0.26 0.00 0.00 60.65 58.51 3hvb s ILE 670 Cb 0.01 -2.29 0.07 0.00 1.25 0.00 0.00 42.46 41.50 3hvb s ILE 670 CO 0.09 -0.17 0.68 -1.58 0.24 0.00 0.00 174.94 174.20 3hvb s GLN 671 N -4.10 0.86 0.00 0.37 0.74 -0.51 0.33 119.66 117.34 3hvb s GLN 671 Ca 0.32 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.50 3hvb s GLN 671 Cb 0.06 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.59 3hvb s GLN 671 CO 0.08 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 3hvb n GLY 672 N 2.28 0.41 0.17 2.59 0.00 -1.26 -0.93 105.19 108.44 3hvb n GLY 672 Ca -0.15 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.09 3hvb n GLY 672 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hvb h TYR 673 N 0.00 0.00 0.00 1.61 -0.00 -1.70 0.65 116.97 117.53 3hvb h TYR 673 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3hvb h TYR 673 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3hvb h TYR 673 CO 0.00 0.37 -0.11 -0.92 -0.00 0.00 0.00 178.16 177.50 3hvb h TYR 674 N 0.00 0.00 0.00 -3.82 5.03 -1.72 -3.12 116.97 113.34 3hvb h TYR 674 Ca -0.00 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 3hvb h TYR 674 Cb 1.19 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 3hvb h TYR 674 CO 0.00 0.11 -1.24 1.28 -1.32 0.00 0.00 178.16 176.99 3hvb n LEU 675 N -3.20 1.86 -3.32 2.82 4.32 -1.07 -4.95 117.00 113.46 3hvb n LEU 675 Ca 0.01 0.44 0.03 0.00 -0.02 0.00 0.00 56.01 56.47 3hvb n LEU 675 Cb 0.43 -0.95 -0.04 0.00 -1.62 0.00 0.00 43.42 41.23 3hvb n LEU 675 CO 0.32 0.22 0.87 -1.10 -1.22 0.00 0.00 177.39 176.47 3hvb s GLN 676 N -2.36 0.10 1.16 3.23 -1.52 0.20 -5.04 119.66 115.43 3hvb s GLN 676 Ca -0.28 0.22 -0.18 0.00 -1.95 0.00 0.00 55.36 53.17 3hvb s GLN 676 Cb 0.06 0.11 0.27 0.00 -0.22 0.00 0.00 33.01 33.23 3hvb s GLN 676 CO 0.55 -0.03 1.12 0.20 -0.25 0.00 0.00 175.29 176.88 3hvb s GLY 677 N 1.91 1.59 0.11 3.09 0.00 -1.25 -4.25 107.32 108.53 3hvb s GLY 677 Ca -0.02 -0.89 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 3hvb s GLY 677 CO -0.15 -0.04 1.53 -4.14 0.00 0.00 0.00 173.10 170.29 3hvb s PRO 678 N -5.38 4.24 0.26 2.90 0.02 -1.26 -4.67 135.00 131.12 3hvb s PRO 678 Ca 0.70 2.25 0.11 0.00 0.02 0.00 0.00 61.00 64.08 3hvb s PRO 678 Cb -0.11 -3.32 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 3hvb s PRO 678 CO 0.56 -0.59 -0.18 0.45 -0.33 0.00 0.00 177.00 176.90 3hvb s SER 679 N 1.50 3.30 0.49 2.53 0.15 0.67 -4.81 113.70 117.52 3hvb s SER 679 Ca 0.69 -1.03 0.24 0.00 0.70 0.00 0.00 55.95 56.55 3hvb s SER 679 Cb -0.40 -0.25 1.28 0.00 -1.71 0.00 0.00 66.02 64.93 3hvb s SER 679 CO 0.31 -0.02 2.02 1.56 1.20 0.00 0.00 173.24 178.30 3hvb h GLN 680 N 2.36 0.00 -4.90 5.44 4.20 -1.86 0.14 115.11 120.49 3hvb h GLN 680 Ca -0.39 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.01 3hvb h GLN 680 Cb 1.25 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.86 3hvb h GLN 680 CO 0.60 0.16 -0.72 0.00 -0.67 0.00 0.00 178.83 178.20 3hvb s ALA 681 N -4.20 1.09 -1.25 3.87 0.00 -1.26 -4.80 121.76 115.21 3hvb s ALA 681 Ca -0.03 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 3hvb s ALA 681 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hvb s ALA 681 CO 0.62 -0.08 1.93 -1.33 0.00 0.00 0.00 175.76 176.90 3hvb n MET 682 N 0.44 2.58 -0.04 0.00 2.81 -1.26 -4.56 117.12 117.10 3hvb n MET 682 Ca -0.15 -2.76 -0.17 0.00 -1.81 0.00 0.00 57.70 52.81 3hvb n MET 682 Cb 0.58 -3.41 -0.14 0.00 -0.71 0.00 0.00 33.22 29.55 3hvb n MET 682 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3hvb n ASP 683 N 8.76 1.69 -4.24 7.83 8.00 -1.26 -5.02 116.55 132.32 3hvb n ASP 683 Ca 0.49 0.15 -0.58 0.00 0.71 0.00 0.00 54.79 55.57 3hvb n ASP 683 Cb 0.43 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 3hvb n ASP 683 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hvb n TYR 684 N -3.29 1.06 -2.96 1.24 4.19 -1.26 -4.89 117.16 111.24 3hvb n TYR 684 Ca -0.32 1.01 -0.42 0.00 3.31 0.00 0.00 57.90 61.47 3hvb n TYR 684 Cb 1.05 -1.98 -0.05 0.00 0.49 0.00 0.00 39.34 38.85 3hvb n TYR 684 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3hvb s ASP 685 N 1.26 6.52 -0.09 2.98 2.15 -1.26 -4.94 116.67 123.30 3hvb s ASP 685 Ca 0.89 0.26 0.11 0.00 0.43 0.00 0.00 52.55 54.24 3hvb s ASP 685 Cb -1.26 -2.39 0.47 0.00 -0.30 0.00 0.00 42.92 39.43 3hvb s ASP 685 CO 0.63 -0.77 1.30 0.49 -0.17 0.00 0.00 175.17 176.65 3hvb n PHE 686 N 6.49 1.03 -0.94 -5.34 3.72 -1.26 -5.23 117.46 115.93 3hvb n PHE 686 Ca 0.03 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3hvb n PHE 686 Cb 0.48 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3hvb n PHE 686 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58