#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhi h LYS 477 N 0.00 0.00 0.64 -0.52 1.79 -1.97 -1.18 116.57 115.33 1vhi h LYS 477 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1vhi h LYS 477 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vhi h LYS 477 CO 0.00 0.00 -0.36 0.74 -1.08 0.00 0.00 179.45 178.75 1vhi h PHE 478 N 0.00 -0.95 0.00 -1.35 0.04 -1.94 0.53 116.94 113.27 1vhi h PHE 478 Ca 0.03 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1vhi h PHE 478 Cb 0.39 0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1vhi h PHE 478 CO 0.00 -0.55 -0.10 0.93 -0.60 0.00 0.00 178.31 177.99 1vhi h GLU 479 N -0.92 0.00 0.24 1.51 3.07 -1.65 0.18 114.58 117.01 1vhi h GLU 479 Ca -0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1vhi h GLU 479 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1vhi h GLU 479 CO 0.11 0.10 -0.12 -0.91 -1.40 0.00 0.00 179.01 176.79 1vhi h ASN 480 N 0.00 -0.28 -0.69 1.42 -0.26 -1.10 0.44 115.58 115.11 1vhi h ASN 480 Ca -0.00 -0.25 0.10 0.00 -0.56 0.00 0.00 56.30 55.58 1vhi h ASN 480 Cb 0.80 0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 38.06 1vhi h ASN 480 CO 0.01 0.20 0.33 0.40 -1.06 0.00 0.00 177.43 177.31 1vhi h ILE 481 N -0.87 0.83 -0.52 2.81 2.04 0.15 -1.42 117.51 120.54 1vhi h ILE 481 Ca -0.03 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1vhi h ILE 481 Cb 0.51 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1vhi h ILE 481 CO 0.06 0.10 0.31 0.00 0.00 0.00 0.00 178.15 178.62 1vhi h ALA 482 N 1.43 0.66 -0.23 1.87 0.00 -0.52 -0.75 119.26 121.73 1vhi h ALA 482 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1vhi h ALA 482 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vhi h ALA 482 CO -0.28 0.02 0.06 0.93 0.00 0.00 0.00 179.25 179.98 1vhi h GLU 483 N 0.62 0.32 -0.04 0.00 3.07 -0.23 0.93 114.58 119.25 1vhi h GLU 483 Ca 0.21 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1vhi h GLU 483 Cb 0.02 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1vhi h GLU 483 CO -0.09 0.29 -0.01 0.78 -1.40 0.00 0.00 179.01 178.58 1vhi h GLY 484 N 0.50 0.08 0.64 -3.84 0.00 -0.27 -2.24 103.07 97.95 1vhi h GLY 484 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1vhi h GLY 484 CO -0.00 0.06 -0.00 1.41 0.00 0.00 0.00 176.54 178.00 1vhi h LEU 485 N -0.29 -0.10 -0.75 3.11 3.38 -0.73 -2.10 115.31 117.83 1vhi h LEU 485 Ca 0.01 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1vhi h LEU 485 Cb 0.41 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1vhi h LEU 485 CO 0.00 -0.02 0.32 -0.09 0.09 0.00 0.00 178.44 178.75 1vhi h ARG 486 N 0.07 0.48 0.05 1.13 9.65 -0.84 0.31 114.38 125.23 1vhi h ARG 486 Ca 0.11 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.72 1vhi h ARG 486 Cb 0.14 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1vhi h ARG 486 CO -0.18 0.31 -1.09 0.00 2.80 0.00 0.00 179.97 181.81 1vhi h ALA 487 N 1.52 0.25 0.00 2.80 0.00 -0.77 0.09 119.26 123.15 1vhi h ALA 487 Ca 0.40 -0.90 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1vhi h ALA 487 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1vhi h ALA 487 CO -0.37 1.14 -0.64 -0.07 0.00 0.00 0.00 179.25 179.30 1vhi h LEU 488 N 0.03 0.00 -0.03 0.00 3.38 -0.78 -3.19 115.31 114.72 1vhi h LEU 488 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1vhi h LEU 488 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1vhi h LEU 488 CO 0.16 0.64 -0.27 0.25 0.09 0.00 0.00 178.44 179.31 1vhi h LEU 489 N 0.00 0.28 -0.56 1.67 5.85 -0.29 -3.19 115.31 119.08 1vhi h LEU 489 Ca -0.01 -0.71 0.02 0.00 0.84 0.00 0.00 57.88 58.03 1vhi h LEU 489 Cb 1.26 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1vhi h LEU 489 CO 0.08 0.95 0.86 0.00 -0.34 0.00 0.00 178.44 179.99 1vhi h ALA 490 N 0.34 1.92 0.32 1.25 0.00 -0.96 -2.29 119.26 119.84 1vhi h ALA 490 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1vhi h ALA 490 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vhi h ALA 490 CO 0.05 -0.90 -0.15 0.07 0.00 0.00 0.00 179.25 178.33 1vhi h ARG 491 N 0.00 -0.41 -7.03 0.00 0.11 -1.63 -3.44 114.38 101.99 1vhi h ARG 491 Ca 0.04 0.03 -0.49 0.00 0.10 0.00 0.00 59.98 59.66 1vhi h ARG 491 Cb 1.75 0.09 0.02 0.00 1.11 0.00 0.00 29.97 32.94 1vhi h ARG 491 CO -0.00 -0.13 0.23 -1.12 0.10 0.00 0.00 179.97 179.06 1vhi s SER 492 N -5.13 6.50 -0.13 0.08 0.01 -0.86 -5.05 113.70 109.12 1vhi s SER 492 Ca -0.10 1.29 -0.02 0.00 1.31 0.00 0.00 55.95 58.43 1vhi s SER 492 Cb 0.01 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.89 1vhi s SER 492 CO 0.35 -0.53 0.01 -1.00 0.41 0.00 0.00 173.24 172.49 1vhi s HIS 493 N -2.58 0.88 0.26 2.43 3.76 -1.26 -4.94 115.29 113.84 1vhi s HIS 493 Ca 0.54 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 1vhi s HIS 493 Cb -0.10 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 1vhi s HIS 493 CO 0.35 -0.47 0.22 0.14 -0.85 0.00 0.00 174.74 174.13 1vhi s VAL 494 N 1.90 0.00 0.11 -0.90 -7.23 -1.26 -5.13 120.40 107.89 1vhi s VAL 494 Ca 0.02 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1vhi s VAL 494 Cb -0.14 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.24 1vhi s VAL 494 CO -0.07 0.00 0.93 -1.61 -0.31 0.00 0.00 175.10 174.05 1vhi s GLU 495 N -3.80 4.68 0.00 4.82 0.41 -1.26 -4.93 118.70 118.62 1vhi s GLU 495 Ca 0.39 1.40 0.20 0.00 -0.41 0.00 0.00 54.97 56.55 1vhi s GLU 495 Cb 0.04 -3.37 -0.20 0.00 -1.78 0.00 0.00 34.13 28.83 1vhi s GLU 495 CO 0.19 0.24 0.86 0.54 -0.49 0.00 0.00 175.26 176.60 1vhi n ARG 496 N 2.73 0.49 -3.83 1.61 1.74 -1.26 -4.13 116.66 114.01 1vhi n ARG 496 Ca 0.01 -0.08 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 1vhi n ARG 496 Cb 0.49 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 1vhi n ARG 496 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1vhi s THR 497 N -2.84 0.09 0.27 0.55 2.01 -1.26 -4.27 115.64 110.19 1vhi s THR 497 Ca 0.08 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.43 1vhi s THR 497 Cb 0.15 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1vhi s THR 497 CO 0.79 -0.41 -0.14 0.42 -0.69 0.00 0.00 174.62 174.59 1vhi s THR 498 N -1.96 2.07 -0.01 -0.82 -4.23 -1.26 -4.96 115.64 104.48 1vhi s THR 498 Ca -0.10 -2.27 0.32 0.00 -1.18 0.00 0.00 61.69 58.46 1vhi s THR 498 Cb -0.04 -2.31 0.37 0.00 1.34 0.00 0.00 72.50 71.86 1vhi s THR 498 CO -0.01 -0.41 1.93 -0.78 -0.54 0.00 0.00 174.62 174.82 1vhi h ASP 499 N 2.32 0.00 0.08 3.99 3.58 -2.01 -3.09 116.42 121.29 1vhi h ASP 499 Ca -0.40 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.84 1vhi h ASP 499 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1vhi h ASP 499 CO 0.64 0.00 -0.80 -0.33 -2.88 0.00 0.00 179.24 175.86 1vhi h GLU 500 N 0.00 0.59 0.00 0.28 3.07 -1.98 -3.47 114.58 113.07 1vhi h GLU 500 Ca 0.00 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1vhi h GLU 500 Cb 0.50 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1vhi h GLU 500 CO 0.00 1.13 0.00 0.41 -1.40 0.00 0.00 179.01 179.15 1vhi n GLY 501 N 0.70 0.68 3.77 -3.84 0.00 -1.17 -5.03 105.19 100.31 1vhi n GLY 501 Ca -0.06 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1vhi n GLY 501 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vhi s THR 502 N -2.00 4.20 -0.96 2.61 2.01 -1.26 -4.98 115.64 115.27 1vhi s THR 502 Ca 0.00 1.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.70 1vhi s THR 502 Cb 0.00 -4.13 0.15 0.00 0.01 0.00 0.00 72.50 68.52 1vhi s THR 502 CO 0.00 0.32 1.13 0.26 -0.69 0.00 0.00 174.62 175.64 1vhi s TRP 503 N -1.39 3.24 -0.94 4.92 0.52 -1.26 -4.20 118.94 119.83 1vhi s TRP 503 Ca 0.45 -1.56 0.11 0.00 0.02 0.00 0.00 56.10 55.12 1vhi s TRP 503 Cb -0.22 -4.24 -0.02 0.00 -1.15 0.00 0.00 33.47 27.84 1vhi s TRP 503 CO 0.27 -1.42 0.64 1.33 0.02 0.00 0.00 176.95 177.79 1vhi n VAL 504 N 5.21 0.00 -4.10 4.03 0.24 -0.98 -1.67 118.33 121.05 1vhi n VAL 504 Ca 0.25 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1vhi n VAL 504 Cb 0.48 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.86 1vhi n VAL 504 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vhi s ALA 505 N -1.58 0.59 0.26 2.33 0.00 -0.95 -1.67 121.76 120.74 1vhi s ALA 505 Ca 0.08 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1vhi s ALA 505 Cb 0.09 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1vhi s ALA 505 CO 0.31 -0.41 0.58 0.20 0.00 0.00 0.00 175.76 176.44 1vhi s GLY 506 N -2.96 0.28 -0.12 0.00 0.00 -0.77 0.17 107.32 103.92 1vhi s GLY 506 Ca 0.12 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.23 1vhi s GLY 506 CO -0.06 -0.41 -0.21 0.14 0.00 0.00 0.00 173.10 172.56 1vhi s VAL 507 N -3.98 2.26 -0.33 1.40 1.01 -0.81 -0.84 120.40 119.12 1vhi s VAL 507 Ca 0.18 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1vhi s VAL 507 Cb -0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1vhi s VAL 507 CO 0.08 0.55 0.22 0.12 0.00 0.00 0.00 175.10 176.07 1vhi s PHE 508 N 0.51 3.22 -0.12 5.22 2.19 0.15 -2.33 117.98 126.82 1vhi s PHE 508 Ca -0.13 -0.21 0.00 0.00 0.33 0.00 0.00 56.93 56.92 1vhi s PHE 508 Cb -0.17 -2.45 -0.01 0.00 -1.31 0.00 0.00 43.02 39.08 1vhi s PHE 508 CO 0.05 -0.34 -0.14 0.08 1.83 0.00 0.00 175.22 176.70 1vhi s VAL 509 N 1.71 2.99 0.31 3.12 1.01 -0.44 -1.55 120.40 127.55 1vhi s VAL 509 Ca 0.06 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1vhi s VAL 509 Cb -0.17 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1vhi s VAL 509 CO 0.10 0.53 0.51 -0.72 0.00 0.00 0.00 175.10 175.52 1vhi s TYR 510 N 0.25 0.66 0.00 5.22 1.13 -0.97 -1.68 117.35 121.96 1vhi s TYR 510 Ca -0.09 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.56 1vhi s TYR 510 Cb -0.16 0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1vhi s TYR 510 CO 0.05 -1.12 0.00 0.41 -2.51 0.00 0.00 175.55 172.39 1vhi n GLY 511 N -0.48 -1.73 7.00 5.49 0.00 -1.18 -0.59 105.19 113.70 1vhi n GLY 511 Ca -0.01 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1vhi n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhi n GLY 512 N 0.00 1.02 3.45 -0.02 0.00 -1.22 -4.70 105.19 103.72 1vhi n GLY 512 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1vhi n GLY 512 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vhi s SER 513 N -4.00 2.55 0.06 1.61 1.04 -1.26 -4.94 113.70 108.77 1vhi s SER 513 Ca 0.00 -1.76 -0.28 0.00 0.48 0.00 0.00 55.95 54.40 1vhi s SER 513 Cb 0.00 0.61 -0.17 0.00 0.10 0.00 0.00 66.02 66.55 1vhi s SER 513 CO 0.00 -1.03 1.58 0.11 0.98 0.00 0.00 173.24 174.89 1vhi h LYS 514 N 1.84 -0.43 -0.11 4.02 1.57 -1.92 -2.73 116.57 118.81 1vhi h LYS 514 Ca -0.31 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1vhi h LYS 514 Cb 1.26 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1vhi h LYS 514 CO 0.47 -0.24 -0.08 1.15 -0.57 0.00 0.00 179.45 180.19 1vhi h THR 515 N -0.53 0.00 -0.88 -0.16 2.02 -1.98 0.36 112.91 111.74 1vhi h THR 515 Ca -0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1vhi h THR 515 Cb 0.40 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1vhi h THR 515 CO 0.08 0.00 0.57 0.77 0.37 0.00 0.00 175.52 177.31 1vhi h SER 516 N -0.01 0.88 -0.56 4.18 4.64 -1.95 -1.11 113.55 119.61 1vhi h SER 516 Ca 0.02 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1vhi h SER 516 Cb 0.06 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1vhi h SER 516 CO -0.11 0.57 0.12 0.25 -0.87 0.00 0.00 176.83 176.78 1vhi h LEU 517 N 1.00 0.90 -0.34 5.97 5.85 -1.14 -1.45 115.31 126.10 1vhi h LEU 517 Ca 0.38 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1vhi h LEU 517 Cb 0.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1vhi h LEU 517 CO -0.14 0.89 0.09 0.22 -0.34 0.00 0.00 178.44 179.17 1vhi h TYR 518 N 0.91 0.56 -0.53 1.25 3.20 0.20 -2.38 116.97 120.18 1vhi h TYR 518 Ca 0.19 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1vhi h TYR 518 Cb 0.37 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1vhi h TYR 518 CO 0.02 0.57 0.28 -0.91 -1.64 0.00 0.00 178.16 176.48 1vhi h ASN 519 N 0.40 0.66 -0.83 -2.11 2.35 -0.58 -2.27 115.58 113.20 1vhi h ASN 519 Ca 0.11 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1vhi h ASN 519 Cb 0.28 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1vhi h ASN 519 CO -0.00 0.58 0.43 0.25 -1.65 0.00 0.00 177.43 177.04 1vhi h LEU 520 N 0.70 1.06 -0.87 1.61 6.46 -1.29 -2.00 115.31 120.97 1vhi h LEU 520 Ca 0.18 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1vhi h LEU 520 Cb 0.07 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.68 1vhi h LEU 520 CO -0.03 0.87 0.55 -0.09 -0.62 0.00 0.00 178.44 179.12 1vhi h ARG 521 N 1.17 1.16 -0.21 1.25 2.43 -0.88 0.14 114.38 119.43 1vhi h ARG 521 Ca 0.29 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 1vhi h ARG 521 Cb 0.06 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1vhi h ARG 521 CO -0.04 0.79 -0.52 0.00 -1.51 0.00 0.00 179.97 178.69 1vhi h ARG 522 N 1.19 0.73 -0.13 0.20 2.47 -1.21 -2.37 114.38 115.25 1vhi h ARG 522 Ca 0.32 -0.50 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1vhi h ARG 522 Cb -0.10 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1vhi h ARG 522 CO -0.06 1.12 0.07 0.78 0.56 0.00 0.00 179.97 182.44 1vhi h GLY 523 N 0.44 0.19 1.52 0.04 0.00 -1.08 -2.79 103.07 101.39 1vhi h GLY 523 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1vhi h GLY 523 CO 0.11 0.08 0.21 -0.84 0.00 0.00 0.00 176.54 176.10 1vhi h THR 524 N 0.12 0.95 -0.28 4.70 2.02 -0.64 -0.71 112.91 119.06 1vhi h THR 524 Ca 0.05 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1vhi h THR 524 Cb 0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1vhi h THR 524 CO -0.01 0.03 -0.21 0.00 0.37 0.00 0.00 175.52 175.71 1vhi h ALA 525 N 1.84 0.41 -0.18 6.16 0.00 -1.30 -1.14 119.26 125.04 1vhi h ALA 525 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1vhi h ALA 525 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vhi h ALA 525 CO -0.02 0.36 -0.27 -0.07 0.00 0.00 0.00 179.25 179.25 1vhi h LEU 526 N 0.38 0.55 -0.51 0.00 4.07 -1.19 -3.34 115.31 115.27 1vhi h LEU 526 Ca 0.05 -0.52 -0.15 0.00 0.08 0.00 0.00 57.88 57.35 1vhi h LEU 526 Cb 0.76 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1vhi h LEU 526 CO 0.06 0.96 -0.38 0.00 -1.08 0.00 0.00 178.44 178.00 1vhi h ALA 527 N 0.60 0.69 -3.57 1.53 0.00 -1.19 -3.41 119.26 113.92 1vhi h ALA 527 Ca 0.02 -0.45 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1vhi h ALA 527 Cb 0.84 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.11 1vhi h ALA 527 CO 0.06 0.67 -0.70 0.42 0.00 0.00 0.00 179.25 179.69 1vhi s ILE 528 N -4.36 2.22 0.44 0.00 1.01 -0.43 -4.93 121.20 115.14 1vhi s ILE 528 Ca -0.10 -2.48 0.27 0.00 0.00 0.00 0.00 60.65 58.34 1vhi s ILE 528 Cb 0.12 -2.62 0.29 0.00 0.01 0.00 0.00 42.46 40.26 1vhi s ILE 528 CO 0.86 -0.65 2.09 -0.65 0.00 0.00 0.00 174.94 176.58 1vhi h PRO 529 N 7.40 0.00 -0.57 2.79 0.11 -1.81 -3.19 132.00 136.73 1vhi h PRO 529 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1vhi h PRO 529 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1vhi h PRO 529 CO 0.55 0.11 0.00 1.04 -0.21 0.00 0.00 178.00 179.49 1vhi n GLN 530 N -3.72 1.57 -4.43 1.05 3.00 -1.26 -4.89 117.38 108.71 1vhi n GLN 530 Ca -0.02 -0.57 -0.21 0.00 -0.01 0.00 0.00 57.00 56.19 1vhi n GLN 530 Cb 0.22 -1.41 -0.10 0.00 0.00 0.00 0.00 30.24 28.95 1vhi n GLN 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vhi s ARG 532 N -3.81 1.16 -0.00 0.00 1.81 -1.04 -4.94 118.95 112.12 1vhi s ARG 532 Ca 0.32 -0.89 0.07 0.00 -1.72 0.00 0.00 55.73 53.51 1vhi s ARG 532 Cb 0.06 -1.25 -0.02 0.00 -0.45 0.00 0.00 34.95 33.30 1vhi s ARG 532 CO 0.13 0.31 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.32 1vhi s LEU 533 N -1.26 2.08 0.50 2.53 1.43 -1.26 0.03 118.68 122.72 1vhi s LEU 533 Ca 0.05 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 1vhi s LEU 533 Cb -0.09 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 1vhi s LEU 533 CO 0.02 0.26 0.98 0.42 0.23 0.00 0.00 176.35 178.26 1vhi s THR 534 N -0.61 4.46 1.05 5.49 -4.23 0.21 -4.99 115.64 117.01 1vhi s THR 534 Ca 0.09 1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 61.68 1vhi s THR 534 Cb -0.09 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1vhi s THR 534 CO -0.00 -0.58 -0.40 -2.65 -0.54 0.00 0.00 174.62 170.45 1vhi n PRO 535 N -1.34 -0.79 -2.54 3.99 -0.02 -1.26 -4.49 135.00 128.55 1vhi n PRO 535 Ca 0.07 -0.21 -0.35 0.00 -2.02 0.00 0.00 63.50 60.98 1vhi n PRO 535 Cb 0.54 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1vhi n PRO 535 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vhi s LEU 536 N 2.09 3.98 0.00 2.45 1.43 -1.26 -4.56 118.68 122.81 1vhi s LEU 536 Ca 0.49 1.99 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 1vhi s LEU 536 Cb -0.09 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 1vhi s LEU 536 CO 0.68 -0.65 0.10 -0.24 0.23 0.00 0.00 176.35 176.47 1vhi n SER 537 N -0.55 -0.25 -4.45 2.29 2.88 -0.85 -4.94 113.62 107.74 1vhi n SER 537 Ca 0.07 -1.61 -0.31 0.00 -1.33 0.00 0.00 58.87 55.70 1vhi n SER 537 Cb 0.51 0.55 -0.13 0.00 -0.75 0.00 0.00 64.21 64.39 1vhi n SER 537 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1vhi s ARG 538 N -2.35 2.02 0.03 -1.46 1.81 -1.26 -1.39 118.95 116.34 1vhi s ARG 538 Ca 0.11 -1.02 -0.13 0.00 -1.72 0.00 0.00 55.73 52.97 1vhi s ARG 538 Cb 0.00 -2.16 -0.06 0.00 -0.45 0.00 0.00 34.95 32.28 1vhi s ARG 538 CO 0.08 0.53 0.40 -1.17 -0.68 0.00 0.00 175.30 174.46 1vhi s LEU 539 N -1.52 4.42 0.84 2.53 2.96 -0.05 -4.92 118.68 122.95 1vhi s LEU 539 Ca 0.15 0.90 -0.12 0.00 -0.22 0.00 0.00 54.13 54.84 1vhi s LEU 539 Cb -0.10 -2.74 0.09 0.00 0.50 0.00 0.00 46.19 43.94 1vhi s LEU 539 CO 0.06 0.27 1.13 -2.16 -1.32 0.00 0.00 176.35 174.32 1vhi s PRO 540 N -1.40 1.76 0.58 0.98 0.04 -1.26 -0.53 135.00 135.17 1vhi s PRO 540 Ca 0.27 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.50 1vhi s PRO 540 Cb -0.16 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1vhi s PRO 540 CO 0.15 -1.78 1.05 -0.06 0.04 0.00 0.00 177.00 176.40 1vhi s PHE 541 N -3.33 3.03 0.00 0.56 0.08 -1.23 -4.71 117.98 112.38 1vhi s PHE 541 Ca 0.62 1.51 0.00 0.00 0.12 0.00 0.00 56.93 59.18 1vhi s PHE 541 Cb -0.13 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1vhi s PHE 541 CO 0.52 -1.04 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 1vhi n GLY 542 N -1.00 0.45 3.48 4.36 0.00 -1.26 -5.02 105.19 106.19 1vhi n GLY 542 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1vhi n GLY 542 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1vhi s MET 543 N 2.99 3.72 0.00 1.61 1.75 -1.26 -4.65 119.30 123.45 1vhi s MET 543 Ca 0.00 -0.44 -0.30 0.00 -1.25 0.00 0.00 55.69 53.69 1vhi s MET 543 Cb 0.00 -3.40 -0.06 0.00 2.84 0.00 0.00 34.83 34.22 1vhi s MET 543 CO 0.00 -0.19 1.42 0.00 -0.65 0.00 0.00 175.02 175.60 1vhi s ALA 544 N 1.64 3.59 0.48 4.11 0.00 -1.26 -5.03 121.76 125.30 1vhi s ALA 544 Ca 0.07 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.71 1vhi s ALA 544 Cb -0.15 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 1vhi s ALA 544 CO 0.05 -0.94 1.07 -1.25 0.00 0.00 0.00 175.76 174.69 1vhi s PRO 545 N 2.45 3.75 7.42 0.00 0.04 -1.26 -4.69 135.00 142.71 1vhi s PRO 545 Ca 0.64 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1vhi s PRO 545 Cb -0.32 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1vhi s PRO 545 CO 0.27 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1vhi n GLY 546 N -0.03 2.11 0.00 0.56 0.00 -1.26 -4.92 105.19 101.65 1vhi n GLY 546 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1vhi n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vhi n PRO 547 N 8.56 3.67 0.00 1.61 -0.04 -1.26 -5.06 135.00 142.48 1vhi n PRO 547 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vhi n PRO 547 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1vhi n PRO 547 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vhi n GLY 548 N 5.00 0.05 3.56 0.55 0.00 -1.26 -4.41 105.19 108.67 1vhi n GLY 548 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1vhi n GLY 548 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vhi s PRO 549 N 0.00 1.82 -0.22 1.61 0.04 -1.26 -4.93 135.00 132.06 1vhi s PRO 549 Ca 0.00 0.58 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 1vhi s PRO 549 Cb 0.00 -4.77 -0.02 0.00 0.04 0.00 0.00 34.50 29.76 1vhi s PRO 549 CO 0.00 -4.08 -0.00 -1.14 0.04 0.00 0.00 177.00 171.82 1vhi s GLN 550 N 8.53 3.52 0.39 4.56 2.00 -1.26 -4.68 119.66 132.72 1vhi s GLN 550 Ca 0.90 -0.56 0.13 0.00 -2.00 0.00 0.00 55.36 53.84 1vhi s GLN 550 Cb -0.13 -3.09 0.96 0.00 0.80 0.00 0.00 33.01 31.55 1vhi s GLN 550 CO 0.11 -0.11 1.87 -1.00 -0.50 0.00 0.00 175.29 175.65 1vhi h PRO 551 N 7.89 0.51 0.00 1.67 0.13 -1.92 -3.48 132.00 136.80 1vhi h PRO 551 Ca -0.38 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1vhi h PRO 551 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1vhi h PRO 551 CO 0.60 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1vhi n GLY 552 N -1.48 2.76 0.46 1.56 0.00 -1.26 -4.71 105.19 102.52 1vhi n GLY 552 Ca 0.18 -1.33 0.28 0.00 0.00 0.00 0.00 46.02 45.15 1vhi n GLY 552 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vhi h PRO 553 N 0.00 0.16 -0.01 1.61 0.11 -1.96 -2.97 132.00 128.93 1vhi h PRO 553 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1vhi h PRO 553 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1vhi h PRO 553 CO 0.00 0.10 -0.61 1.28 -0.21 0.00 0.00 178.00 178.56 1vhi n LEU 554 N -4.38 1.63 -4.76 2.35 4.77 -1.26 -4.94 117.00 110.41 1vhi n LEU 554 Ca 0.23 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 55.14 1vhi n LEU 554 Cb 0.99 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.03 1vhi n LEU 554 CO 0.34 0.32 0.75 -0.60 -1.33 0.00 0.00 177.39 176.88 1vhi s ARG 555 N -2.54 4.57 0.10 3.23 3.52 -1.12 -5.02 118.95 121.69 1vhi s ARG 555 Ca 0.14 1.68 0.09 0.00 -0.13 0.00 0.00 55.73 57.51 1vhi s ARG 555 Cb 0.16 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 1vhi s ARG 555 CO 0.63 0.19 -0.19 -1.83 -0.81 0.00 0.00 175.30 173.29 1vhi s GLU 556 N -1.64 1.83 0.69 5.12 -1.05 -1.26 -3.55 118.70 118.84 1vhi s GLU 556 Ca 0.47 -1.14 -0.05 0.00 -0.15 0.00 0.00 54.97 54.09 1vhi s GLU 556 Cb -0.29 -2.12 0.15 0.00 -0.44 0.00 0.00 34.13 31.44 1vhi s GLU 556 CO 0.36 0.49 0.95 -1.13 0.95 0.00 0.00 175.26 176.89 1vhi n SER 557 N 1.00 0.76 -0.95 0.83 3.41 0.31 -4.92 113.62 114.06 1vhi n SER 557 Ca -0.16 -1.76 0.12 0.00 -0.26 0.00 0.00 58.87 56.81 1vhi n SER 557 Cb 0.53 -0.66 0.25 0.00 -0.26 0.00 0.00 64.21 64.06 1vhi n SER 557 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vhi n ILE 558 N -2.97 0.31 -3.07 -1.33 0.13 -1.26 -4.48 119.36 106.69 1vhi n ILE 558 Ca 0.14 -0.58 -0.40 0.00 -1.10 0.00 0.00 62.75 60.81 1vhi n ILE 558 Cb 0.50 0.92 -0.05 0.00 -0.84 0.00 0.00 39.64 40.16 1vhi n ILE 558 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1vhi s VAL 559 N -1.69 5.02 0.52 9.51 1.01 -1.26 -4.94 120.40 128.57 1vhi s VAL 559 Ca 0.35 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.69 1vhi s VAL 559 Cb 0.21 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1vhi s VAL 559 CO 0.30 0.15 0.72 0.00 0.00 0.00 0.00 175.10 176.28 1vhi s TYR 561 N -2.66 0.54 0.23 0.00 -0.85 -0.49 -3.09 117.35 111.03 1vhi s TYR 561 Ca 0.57 -0.95 -0.21 0.00 -0.52 0.00 0.00 57.07 55.96 1vhi s TYR 561 Cb -0.10 0.30 0.04 0.00 0.38 0.00 0.00 41.96 42.58 1vhi s TYR 561 CO 0.37 -1.24 0.65 -0.59 -1.52 0.00 0.00 175.55 173.23 1vhi s PHE 562 N -3.12 -0.30 0.08 -3.49 -0.71 -0.68 -2.01 117.98 107.75 1vhi s PHE 562 Ca 0.23 -0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.12 1vhi s PHE 562 Cb -0.02 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1vhi s PHE 562 CO 0.14 -1.06 -0.17 -1.64 -1.34 0.00 0.00 175.22 171.15 1vhi s MET 563 N -3.86 0.98 -0.17 1.99 -1.94 -1.26 -1.33 119.30 113.71 1vhi s MET 563 Ca 0.07 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 1vhi s MET 563 Cb -0.04 -1.08 0.01 0.00 2.01 0.00 0.00 34.83 35.73 1vhi s MET 563 CO -0.01 0.25 -0.16 0.08 -0.01 0.00 0.00 175.02 175.17 1vhi s VAL 564 N -1.15 2.48 0.03 -6.03 1.01 -0.98 -0.62 120.40 115.14 1vhi s VAL 564 Ca 0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1vhi s VAL 564 Cb -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1vhi s VAL 564 CO 0.03 0.52 0.34 -0.36 0.00 0.00 0.00 175.10 175.62 1vhi s PHE 565 N 1.03 3.61 0.03 5.22 0.08 0.10 -1.93 117.98 126.13 1vhi s PHE 565 Ca -0.01 0.73 -0.06 0.00 0.12 0.00 0.00 56.93 57.71 1vhi s PHE 565 Cb -0.15 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 1vhi s PHE 565 CO -0.04 0.59 0.12 -0.51 -0.10 0.00 0.00 175.22 175.27 1vhi s LEU 566 N -1.66 1.69 0.09 -0.37 1.43 0.13 -2.51 118.68 117.47 1vhi s LEU 566 Ca 0.28 -0.45 0.25 0.00 -1.03 0.00 0.00 54.13 53.18 1vhi s LEU 566 Cb -0.14 0.67 0.44 0.00 0.03 0.00 0.00 46.19 47.20 1vhi s LEU 566 CO 0.16 -0.49 1.39 0.00 0.23 0.00 0.00 176.35 177.64 1vhi n GLN 567 N 0.87 0.22 -4.06 1.70 6.02 -1.26 -2.24 117.38 118.63 1vhi n GLN 567 Ca -0.20 0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 56.74 1vhi n GLN 567 Cb 0.58 -1.65 -0.12 0.00 1.02 0.00 0.00 30.24 30.07 1vhi n GLN 567 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1vhi s THR 568 N -3.12 0.43 0.21 5.09 -4.23 -1.26 -4.64 115.64 108.12 1vhi s THR 568 Ca 0.08 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1vhi s THR 568 Cb 0.14 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.44 1vhi s THR 568 CO 0.70 -0.28 1.51 0.45 -0.54 0.00 0.00 174.62 176.46 1vhi h HIS 569 N 4.89 0.51 -0.19 3.99 3.86 -1.91 -3.13 115.15 123.16 1vhi h HIS 569 Ca -0.33 -0.19 -0.17 0.00 -1.16 0.00 0.00 60.37 58.52 1vhi h HIS 569 Cb 1.20 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1vhi h HIS 569 CO 0.59 0.90 -0.57 0.97 0.86 0.00 0.00 177.93 180.68 1vhi h ILE 570 N 0.29 1.32 0.00 2.45 2.10 -1.97 -2.16 117.51 119.54 1vhi h ILE 570 Ca -0.01 -1.82 -0.09 0.00 1.08 0.00 0.00 64.86 64.02 1vhi h ILE 570 Cb 1.14 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 1vhi h ILE 570 CO 0.10 0.57 -0.43 0.15 -1.08 0.00 0.00 178.15 177.46 1vhi h PHE 571 N 0.45 0.00 -0.21 2.19 3.57 -1.72 -1.13 116.94 120.09 1vhi h PHE 571 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1vhi h PHE 571 Cb 1.13 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1vhi h PHE 571 CO 0.05 0.43 -0.11 0.00 -2.23 0.00 0.00 178.31 176.45 1vhi h ALA 572 N 1.57 1.42 -0.04 2.41 0.00 -1.42 0.36 119.26 123.56 1vhi h ALA 572 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1vhi h ALA 572 Cb 0.86 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1vhi h ALA 572 CO 0.06 0.40 0.01 1.49 0.00 0.00 0.00 179.25 181.21 1vhi h GLU 573 N 0.32 0.06 -0.09 0.00 4.57 -0.69 -1.13 114.58 117.62 1vhi h GLU 573 Ca 0.06 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1vhi h GLU 573 Cb 0.40 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1vhi h GLU 573 CO 0.02 0.20 -0.00 0.28 -1.18 0.00 0.00 179.01 178.33 1vhi h VAL 574 N -0.10 1.26 -0.60 0.32 2.07 -1.04 -2.23 116.25 115.93 1vhi h VAL 574 Ca 0.01 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1vhi h VAL 574 Cb 0.17 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1vhi h VAL 574 CO -0.00 0.23 -0.02 0.25 0.02 0.00 0.00 177.57 178.05 1vhi h LEU 575 N -0.13 1.05 -0.56 2.57 5.85 -0.94 0.82 115.31 123.97 1vhi h LEU 575 Ca 0.03 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.53 1vhi h LEU 575 Cb 0.36 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1vhi h LEU 575 CO 0.01 1.11 0.13 0.50 -0.34 0.00 0.00 178.44 179.84 1vhi h LYS 576 N 0.97 0.26 -0.48 1.25 3.11 -1.17 -1.53 116.57 118.98 1vhi h LYS 576 Ca 0.17 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.93 1vhi h LYS 576 Cb 0.59 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1vhi h LYS 576 CO 0.03 0.17 0.05 -0.44 -2.81 0.00 0.00 179.45 176.46 1vhi h ASP 577 N 0.26 0.78 -0.55 4.20 3.32 -0.75 -2.01 116.42 121.67 1vhi h ASP 577 Ca 0.29 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1vhi h ASP 577 Cb 0.41 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1vhi h ASP 577 CO -0.37 0.86 0.27 0.00 -1.72 0.00 0.00 179.24 178.29 1vhi h ALA 578 N 0.95 1.39 -0.25 3.45 0.00 -0.34 -1.61 119.26 122.85 1vhi h ALA 578 Ca 0.14 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1vhi h ALA 578 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vhi h ALA 578 CO 0.01 0.48 -0.61 0.82 0.00 0.00 0.00 179.25 179.95 1vhi h ILE 579 N 0.82 1.28 0.36 0.00 2.04 -1.05 -1.73 117.51 119.23 1vhi h ILE 579 Ca 0.20 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1vhi h ILE 579 Cb 0.10 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1vhi h ILE 579 CO -0.03 0.58 -0.17 0.11 0.00 0.00 0.00 178.15 178.64 1vhi h LYS 580 N 0.63 -0.47 -0.14 2.37 1.57 -1.06 -2.40 116.57 117.07 1vhi h LYS 580 Ca -0.00 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1vhi h LYS 580 Cb 1.23 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1vhi h LYS 580 CO 0.13 -0.25 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.27 1vhi h ASP 581 N -0.59 -0.17 0.44 0.86 3.32 -1.29 -2.41 116.42 116.58 1vhi h ASP 581 Ca -0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1vhi h ASP 581 Cb 0.43 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1vhi h ASP 581 CO 0.08 -0.07 -0.51 0.25 -1.72 0.00 0.00 179.24 177.27 1vhi h LEU 582 N -0.03 -1.43 -1.07 1.55 5.85 -1.27 -2.67 115.31 116.26 1vhi h LEU 582 Ca 0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1vhi h LEU 582 Cb 0.14 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1vhi h LEU 582 CO -0.16 -0.65 0.00 1.33 -0.34 0.00 0.00 178.44 178.62 1vhi n VAL 583 N -5.51 0.91 -0.17 1.05 0.24 -0.91 -1.85 118.33 112.08 1vhi n VAL 583 Ca -0.11 0.46 -0.03 0.00 -2.04 0.00 0.00 64.34 62.62 1vhi n VAL 583 Cb 0.45 -1.43 0.18 0.00 -1.47 0.00 0.00 33.84 31.58 1vhi n VAL 583 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1vhi h MET 584 N 0.00 0.92 -1.14 7.34 -1.53 -1.06 -2.35 114.93 117.12 1vhi h MET 584 Ca 0.00 -0.16 -0.22 0.00 -3.44 0.00 0.00 59.70 55.88 1vhi h MET 584 Cb 0.21 -0.15 -0.12 0.00 -0.55 0.00 0.00 31.60 30.98 1vhi h MET 584 CO 0.00 0.76 0.28 0.25 0.14 0.00 0.00 176.91 178.35 1vhi n THR 585 N -4.30 2.06 -4.09 -0.77 -2.24 -0.77 -4.92 114.28 99.25 1vhi n THR 585 Ca 0.05 -0.93 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 1vhi n THR 585 Cb 0.18 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 1vhi n THR 585 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vhi s LYS 586 N -1.37 0.60 0.93 -0.78 3.01 -0.88 -5.09 119.74 116.16 1vhi s LYS 586 Ca 0.24 -0.96 -0.11 0.00 -1.01 0.00 0.00 55.97 54.13 1vhi s LYS 586 Cb 0.19 -0.18 0.15 0.00 -1.01 0.00 0.00 37.83 36.99 1vhi s LYS 586 CO 0.03 0.00 1.11 -1.25 0.51 0.00 0.00 175.35 175.76 1vhi s PRO 587 N -2.46 0.94 0.56 -1.68 0.04 -1.26 -3.84 135.00 127.31 1vhi s PRO 587 Ca -0.03 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1vhi s PRO 587 Cb -0.04 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1vhi s PRO 587 CO -0.02 -2.58 1.27 0.00 0.04 0.00 0.00 177.00 175.70 1vhi s ALA 588 N -2.71 2.68 -2.34 8.56 0.00 -1.26 -1.38 121.76 125.31 1vhi s ALA 588 Ca 0.65 1.14 0.26 0.00 0.00 0.00 0.00 51.96 54.01 1vhi s ALA 588 Cb -0.21 -3.50 0.61 0.00 0.00 0.00 0.00 23.12 20.02 1vhi s ALA 588 CO 0.59 -1.22 1.48 -0.35 0.00 0.00 0.00 175.76 176.26 1vhi n PRO 589 N -1.27 1.52 -0.26 0.00 -0.05 -1.26 -4.83 135.00 128.85 1vhi n PRO 589 Ca 0.12 -1.06 0.03 0.00 -0.05 0.00 0.00 63.50 62.53 1vhi n PRO 589 Cb 0.48 -1.48 0.25 0.00 -0.05 0.00 0.00 33.50 32.70 1vhi n PRO 589 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 1vhi h THR 590 N 2.59 1.12 0.00 0.52 2.02 -1.54 0.20 112.91 117.83 1vhi h THR 590 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1vhi h THR 590 Cb 0.66 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1vhi h THR 590 CO 0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1vhi n ASN 592 N -1.30 2.37 -4.69 0.00 5.03 0.06 -4.86 115.26 111.86 1vhi n ASN 592 Ca 0.06 -1.79 -0.42 0.00 0.87 0.00 0.00 54.58 53.30 1vhi n ASN 592 Cb 0.10 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1vhi n ASN 592 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1vhi s ILE 593 N -1.92 3.60 0.42 2.41 1.01 -0.98 -3.44 121.20 122.31 1vhi s ILE 593 Ca 0.33 0.98 0.08 0.00 0.00 0.00 0.00 60.65 62.05 1vhi s ILE 593 Cb 0.20 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 39.05 1vhi s ILE 593 CO 0.31 -0.01 0.54 -0.13 0.00 0.00 0.00 174.94 175.66 1vhi s ARG 594 N 2.54 2.77 -0.23 2.79 1.81 0.24 -4.94 118.95 123.93 1vhi s ARG 594 Ca 0.66 -1.29 -0.11 0.00 -1.72 0.00 0.00 55.73 53.26 1vhi s ARG 594 Cb -0.33 -2.70 0.09 0.00 -0.45 0.00 0.00 34.95 31.56 1vhi s ARG 594 CO 0.27 -0.27 0.54 0.54 -0.68 0.00 0.00 175.30 175.71 1vhi s VAL 595 N -2.37 -0.35 0.18 3.52 0.11 -1.26 -2.29 120.40 117.94 1vhi s VAL 595 Ca 0.54 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 1vhi s VAL 595 Cb -0.09 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1vhi s VAL 595 CO 0.32 0.03 -0.17 0.28 -3.33 0.00 0.00 175.10 172.23 1vhi s THR 596 N 2.03 1.80 0.34 5.04 -1.32 -0.59 -4.98 115.64 117.97 1vhi s THR 596 Ca -0.07 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.28 1vhi s THR 596 Cb -0.09 -1.90 -0.08 0.00 -1.51 0.00 0.00 72.50 68.93 1vhi s THR 596 CO -0.16 -0.40 0.72 -0.69 -2.21 0.00 0.00 174.62 171.88 1vhi s VAL 597 N -2.31 4.77 0.16 5.08 1.01 -1.26 0.32 120.40 128.17 1vhi s VAL 597 Ca 0.18 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1vhi s VAL 597 Cb -0.04 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1vhi s VAL 597 CO 0.07 -0.31 0.34 0.00 0.00 0.00 0.00 175.10 175.20 1vhi s SER 599 N -2.93 0.84 -0.21 0.00 1.04 -1.26 -1.85 113.70 109.34 1vhi s SER 599 Ca 0.13 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 1vhi s SER 599 Cb 0.02 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1vhi s SER 599 CO -0.02 -0.16 -0.03 -0.36 0.98 0.00 0.00 173.24 173.64 1vhi s PHE 600 N -1.21 2.97 0.32 5.02 0.08 -0.67 -4.97 117.98 119.52 1vhi s PHE 600 Ca -0.08 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.19 1vhi s PHE 600 Cb -0.09 -2.09 0.52 0.00 -0.57 0.00 0.00 43.02 40.79 1vhi s PHE 600 CO 0.00 -0.44 1.94 -0.44 -0.10 0.00 0.00 175.22 176.18 1vhi h ASP 601 N 7.88 0.79 -0.30 1.36 5.19 -1.97 -2.98 116.42 126.40 1vhi h ASP 601 Ca -0.39 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1vhi h ASP 601 Cb 1.17 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1vhi h ASP 601 CO 0.60 0.64 0.00 0.47 -3.12 0.00 0.00 179.24 177.83 1vhi n ASP 602 N -4.38 2.84 -0.02 6.45 8.00 -1.26 -5.08 116.55 123.10 1vhi n ASP 602 Ca 0.06 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1vhi n ASP 602 Cb 0.09 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1vhi n ASP 602 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vhi n GLY 603 N 0.77 -1.78 3.08 0.44 0.00 -1.13 -4.87 105.19 101.70 1vhi n GLY 603 Ca 0.12 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1vhi n GLY 603 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhi s VAL 604 N -1.76 2.11 -1.17 1.61 1.01 -0.67 -4.96 120.40 116.56 1vhi s VAL 604 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 60.37 1vhi s VAL 604 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1vhi s VAL 604 CO 0.00 0.15 1.68 -1.81 0.00 0.00 0.00 175.10 175.12 1vhi s ASP 605 N 1.17 6.43 0.36 3.32 1.01 -1.26 -4.47 116.67 123.23 1vhi s ASP 605 Ca -0.04 -1.93 -0.28 0.00 0.71 0.00 0.00 52.55 51.00 1vhi s ASP 605 Cb -0.18 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.07 1vhi s ASP 605 CO -0.08 -1.59 1.46 -0.76 0.21 0.00 0.00 175.17 174.42 1vhi s LEU 606 N 5.58 4.34 0.00 1.23 1.02 -1.26 -5.18 118.68 124.41 1vhi s LEU 606 Ca 0.54 2.98 0.03 0.00 0.02 0.00 0.00 54.13 57.70 1vhi s LEU 606 Cb 0.02 -3.66 0.19 0.00 0.02 0.00 0.00 46.19 42.75 1vhi s LEU 606 CO 0.02 -0.81 0.67 -0.81 0.02 0.00 0.00 176.35 175.44