#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqf n GLY 497 N 0.00 -0.10 3.18 0.55 0.00 -1.26 -4.89 105.19 102.67 2pqf n GLY 497 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2pqf n GLY 497 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqf s PHE 498 N -1.71 0.22 0.15 1.61 -0.71 -1.26 -4.14 117.98 112.14 2pqf s PHE 498 Ca 0.04 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.29 2pqf s PHE 498 Cb 0.02 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2pqf s PHE 498 CO 0.02 -0.51 -0.07 1.14 -1.34 0.00 0.00 175.22 174.46 2pqf s GLN 499 N -3.87 1.05 -0.23 1.99 0.00 -0.51 -5.01 119.66 113.07 2pqf s GLN 499 Ca 0.05 -1.46 0.02 0.00 -0.00 0.00 0.00 55.36 53.97 2pqf s GLN 499 Cb 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 33.01 32.64 2pqf s GLN 499 CO -0.11 0.00 -0.11 0.15 0.00 0.00 0.00 175.29 175.22 2pqf s LYS 500 N -3.81 2.21 -0.34 9.60 1.02 -1.26 -1.06 119.74 126.10 2pqf s LYS 500 Ca 0.18 -1.11 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 2pqf s LYS 500 Cb 0.04 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2pqf s LYS 500 CO 0.01 -0.49 0.21 0.42 -0.92 0.00 0.00 175.35 174.58 2pqf s ILE 501 N 1.24 5.01 0.03 2.17 1.09 0.46 -4.87 121.20 126.32 2pqf s ILE 501 Ca -0.05 -0.34 -0.30 0.00 -1.10 0.00 0.00 60.65 58.85 2pqf s ILE 501 Cb -0.18 -3.59 -0.06 0.00 -1.06 0.00 0.00 42.46 37.57 2pqf s ILE 501 CO -0.07 -0.01 1.48 -0.89 -0.10 0.00 0.00 174.94 175.35 2pqf s THR 502 N 1.67 3.48 0.21 2.92 2.01 -1.26 -0.42 115.64 124.25 2pqf s THR 502 Ca 0.05 0.90 -0.08 0.00 0.31 0.00 0.00 61.69 62.87 2pqf s THR 502 Cb -0.17 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 2pqf s THR 502 CO 0.09 0.00 0.51 -0.76 -0.69 0.00 0.00 174.62 173.77 2pqf s LEU 503 N 2.39 4.18 0.19 4.42 1.43 -0.55 -4.95 118.68 125.79 2pqf s LEU 503 Ca 0.67 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.31 2pqf s LEU 503 Cb -0.34 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2pqf s LEU 503 CO 0.28 -0.05 0.96 -0.55 0.23 0.00 0.00 176.35 177.22 2pqf s SER 504 N -2.41 7.58 0.12 2.29 0.15 -1.26 -4.72 113.70 115.45 2pqf s SER 504 Ca 0.46 1.90 0.15 0.00 0.70 0.00 0.00 55.95 59.16 2pqf s SER 504 Cb -0.11 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.27 2pqf s SER 504 CO 0.22 0.06 1.47 -1.54 1.20 0.00 0.00 173.24 174.65 2pqf n SER 505 N 1.98 0.27 -0.70 5.45 3.41 -1.26 -1.43 113.62 121.34 2pqf n SER 505 Ca -0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2pqf n SER 505 Cb 0.48 -0.64 0.23 0.00 -0.26 0.00 0.00 64.21 64.02 2pqf n SER 505 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pqf n SER 506 N -1.82 2.27 -4.81 4.04 3.41 -1.26 -4.69 113.62 110.77 2pqf n SER 506 Ca 0.02 -1.70 -0.35 0.00 -0.26 0.00 0.00 58.87 56.58 2pqf n SER 506 Cb 0.13 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 2pqf n SER 506 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pqf s SER 507 N -2.11 7.08 0.28 4.04 1.04 -0.51 -4.97 113.70 118.54 2pqf s SER 507 Ca 0.29 1.59 -0.01 0.00 0.48 0.00 0.00 55.95 58.31 2pqf s SER 507 Cb 0.20 -2.49 0.46 0.00 0.10 0.00 0.00 66.02 64.29 2pqf s SER 507 CO 0.37 -0.13 1.87 -0.08 0.98 0.00 0.00 173.24 176.25 2pqf h GLU 508 N 2.80 1.08 -0.42 4.02 4.81 -1.92 -2.11 114.58 122.83 2pqf h GLU 508 Ca -0.48 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2pqf h GLU 508 Cb 1.19 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2pqf h GLU 508 CO 0.64 0.72 0.26 1.49 -0.73 0.00 0.00 179.01 181.39 2pqf h GLU 509 N 1.11 0.57 -0.21 1.92 4.81 -1.93 -1.24 114.58 119.62 2pqf h GLU 509 Ca 0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2pqf h GLU 509 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2pqf h GLU 509 CO -0.19 0.41 0.13 -0.92 -0.73 0.00 0.00 179.01 177.71 2pqf h TYR 510 N 0.56 0.27 0.00 0.92 3.20 -1.68 -3.14 116.97 117.10 2pqf h TYR 510 Ca 0.15 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2pqf h TYR 510 Cb -0.01 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2pqf h TYR 510 CO -0.04 0.20 -0.18 1.96 -1.64 0.00 0.00 178.16 178.46 2pqf h GLN 511 N 0.27 0.00 -0.05 1.82 1.08 -0.96 -0.11 115.11 117.16 2pqf h GLN 511 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2pqf h GLN 511 Cb -0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2pqf h GLN 511 CO -0.02 0.18 -0.05 0.87 -0.95 0.00 0.00 178.83 178.86 2pqf h LYS 512 N 0.00 0.12 -0.32 1.46 1.57 -1.21 -1.14 116.57 117.06 2pqf h LYS 512 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pqf h LYS 512 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2pqf h LYS 512 CO 0.02 0.59 0.15 0.28 -0.57 0.00 0.00 179.45 179.92 2pqf h VAL 513 N -0.33 1.16 -0.48 0.50 2.07 -1.45 -2.82 116.25 114.91 2pqf h VAL 513 Ca 0.01 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2pqf h VAL 513 Cb 0.57 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2pqf h VAL 513 CO 0.01 0.17 0.22 -0.25 0.02 0.00 0.00 177.57 177.75 2pqf h TRP 514 N 0.38 0.41 -0.80 1.57 7.01 -1.06 -2.06 115.95 121.40 2pqf h TRP 514 Ca 0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2pqf h TRP 514 Cb 0.13 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 2pqf h TRP 514 CO -0.01 0.19 0.51 -0.97 -2.79 0.00 0.00 178.44 175.37 2pqf h ASN 515 N 0.44 0.94 -0.52 2.65 -1.24 -1.15 0.15 115.58 116.84 2pqf h ASN 515 Ca 0.21 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.10 2pqf h ASN 515 Cb 0.14 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2pqf h ASN 515 CO -0.16 0.70 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.59 2pqf h LEU 516 N 1.09 0.91 -0.06 0.34 3.38 -1.21 -1.97 115.31 117.80 2pqf h LEU 516 Ca 0.29 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pqf h LEU 516 Cb -0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 2pqf h LEU 516 CO -0.06 1.00 0.02 0.15 0.09 0.00 0.00 178.44 179.65 2pqf h PHE 517 N 0.80 0.10 -0.20 1.13 3.57 -1.13 -3.20 116.94 118.01 2pqf h PHE 517 Ca 0.15 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2pqf h PHE 517 Cb 0.54 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2pqf h PHE 517 CO 0.04 0.24 0.14 -0.97 -2.23 0.00 0.00 178.31 175.53 2pqf h ASN 518 N -0.08 0.15 -0.98 0.41 -1.24 -0.60 -2.39 115.58 110.85 2pqf h ASN 518 Ca 0.02 -0.00 0.20 0.00 0.71 0.00 0.00 56.30 57.22 2pqf h ASN 518 Cb 0.19 -0.04 -0.11 0.00 0.73 0.00 0.00 38.32 39.09 2pqf h ASN 518 CO -0.00 0.11 0.57 0.03 -1.29 0.00 0.00 177.43 176.84 2pqf h ARG 519 N 0.18 0.67 -0.00 6.67 3.08 -1.35 -2.73 114.38 120.90 2pqf h ARG 519 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2pqf h ARG 519 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2pqf h ARG 519 CO -0.01 0.44 -0.01 0.25 -1.07 0.00 0.00 179.97 179.57 2pqf n THR 520 N -4.82 0.00 -3.16 2.04 -2.24 -1.13 -4.76 114.28 100.21 2pqf n THR 520 Ca 0.23 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2pqf n THR 520 Cb 0.59 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 2pqf n THR 520 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pqf n LEU 521 N -0.35 2.09 0.00 3.22 4.32 -0.92 -4.40 117.00 120.97 2pqf n LEU 521 Ca 0.00 -5.19 0.13 0.00 -0.02 0.00 0.00 56.01 50.93 2pqf n LEU 521 Cb 0.01 0.16 0.72 0.00 -1.62 0.00 0.00 43.42 42.69 2pqf n LEU 521 CO 0.01 2.23 0.94 -0.81 -1.22 0.00 0.00 177.39 178.54 2pqf n PRO 522 N 0.45 0.61 -0.22 3.23 -0.04 -1.04 -3.00 135.00 135.00 2pqf n PRO 522 Ca 0.26 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 2pqf n PRO 522 Cb 0.53 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 2pqf n PRO 522 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pqf n PHE 523 N -1.13 0.48 -4.26 0.54 0.99 -1.26 -4.95 117.46 107.86 2pqf n PHE 523 Ca 0.16 -0.70 -0.30 0.00 -0.00 0.00 0.00 57.45 56.61 2pqf n PHE 523 Cb 0.14 -0.15 -0.09 0.00 -1.00 0.00 0.00 39.48 38.38 2pqf n PHE 523 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 2pqf s TYR 524 N -1.90 2.84 -0.25 1.38 2.02 -1.16 -4.88 117.35 115.40 2pqf s TYR 524 Ca 0.27 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 2pqf s TYR 524 Cb 0.20 -1.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 2pqf s TYR 524 CO 0.09 0.43 0.20 0.12 -1.57 0.00 0.00 175.55 174.82 2pqf s PHE 525 N -1.18 3.29 -0.27 2.71 5.36 -0.65 -4.94 117.98 122.30 2pqf s PHE 525 Ca 0.21 0.25 -0.28 0.00 -0.96 0.00 0.00 56.93 56.16 2pqf s PHE 525 Cb -0.11 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.23 2pqf s PHE 525 CO 0.13 -0.02 0.99 0.08 -1.46 0.00 0.00 175.22 174.94 2pqf s VAL 526 N 1.33 4.67 -0.05 3.12 1.01 -1.26 -0.60 120.40 128.62 2pqf s VAL 526 Ca 0.09 1.77 0.11 0.00 0.00 0.00 0.00 61.98 63.95 2pqf s VAL 526 Cb -0.14 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.71 2pqf s VAL 526 CO 0.07 -0.26 0.65 0.00 0.00 0.00 0.00 175.10 175.55 2pqf n GLN 527 N 6.42 0.64 -3.48 2.72 6.02 -0.09 -4.98 117.38 124.64 2pqf n GLN 527 Ca 0.10 0.30 -0.12 0.00 -0.01 0.00 0.00 57.00 57.27 2pqf n GLN 527 Cb 0.47 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 2pqf n GLN 527 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2pqf s LYS 528 N -2.60 1.04 -0.06 -1.09 -2.85 -0.87 -5.00 119.74 108.31 2pqf s LYS 528 Ca -0.06 -0.24 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 2pqf s LYS 528 Cb 0.08 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 2pqf s LYS 528 CO 0.82 -0.43 -0.05 0.42 0.10 0.00 0.00 175.35 176.22 2pqf s ILE 529 N -2.90 0.63 -0.07 3.79 1.01 -1.26 -0.75 121.20 121.65 2pqf s ILE 529 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2pqf s ILE 529 Cb -0.01 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2pqf s ILE 529 CO -0.07 0.26 -0.17 -1.61 0.00 0.00 0.00 174.94 173.36 2pqf s GLU 530 N 1.20 2.70 -0.18 2.79 2.02 0.22 -1.49 118.70 125.95 2pqf s GLU 530 Ca -0.06 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 53.94 2pqf s GLU 530 Cb -0.14 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 2pqf s GLU 530 CO -0.02 0.48 0.75 0.50 0.02 0.00 0.00 175.26 176.99 2pqf s ARG 531 N -0.36 4.26 -0.17 1.61 3.52 0.44 -1.08 118.95 127.18 2pqf s ARG 531 Ca 0.03 0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 56.26 2pqf s ARG 531 Cb -0.12 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2pqf s ARG 531 CO 0.02 -0.29 0.67 0.08 -0.81 0.00 0.00 175.30 174.97 2pqf s VAL 532 N 2.03 5.01 -0.40 7.11 1.01 -0.49 -0.40 120.40 134.28 2pqf s VAL 532 Ca 0.34 1.30 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 2pqf s VAL 532 Cb -0.16 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.33 2pqf s VAL 532 CO 0.12 0.13 0.19 -1.10 0.00 0.00 0.00 175.10 174.43 2pqf s GLN 533 N 1.69 2.10 -0.28 2.72 -0.21 -0.23 -4.83 119.66 120.61 2pqf s GLN 533 Ca 0.32 -1.73 0.01 0.00 0.02 0.00 0.00 55.36 53.97 2pqf s GLN 533 Cb -0.16 -3.55 0.08 0.00 1.00 0.00 0.00 33.01 30.38 2pqf s GLN 533 CO 0.12 -1.01 0.04 1.21 -2.12 0.00 0.00 175.29 173.52 2pqf s ASN 534 N 1.79 4.06 0.14 5.90 3.84 -1.26 -1.43 114.94 127.98 2pqf s ASN 534 Ca 0.06 -1.55 -0.14 0.00 0.21 0.00 0.00 52.86 51.44 2pqf s ASN 534 Cb -0.22 -1.12 0.01 0.00 -0.55 0.00 0.00 41.25 39.37 2pqf s ASN 534 CO -0.03 -0.34 1.66 0.25 -2.79 0.00 0.00 177.10 175.85 2pqf h LEU 535 N 7.95 0.66 -0.43 3.21 5.85 -1.97 -1.92 115.31 128.66 2pqf h LEU 535 Ca -0.13 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.47 2pqf h LEU 535 Cb 1.04 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 2pqf h LEU 535 CO 0.45 0.70 -0.08 0.00 -0.34 0.00 0.00 178.44 179.17 2pqf h ALA 536 N 0.99 0.32 -0.01 1.25 0.00 -1.96 -1.10 119.26 118.75 2pqf h ALA 536 Ca 0.15 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2pqf h ALA 536 Cb 0.27 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pqf h ALA 536 CO -0.00 -0.43 -0.71 -0.07 0.00 0.00 0.00 179.25 178.03 2pqf h LEU 537 N 0.03 0.06 -0.56 0.00 3.38 -1.86 -3.01 115.31 113.35 2pqf h LEU 537 Ca 0.21 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2pqf h LEU 537 Cb 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2pqf h LEU 537 CO -0.42 0.75 -0.22 -0.25 0.09 0.00 0.00 178.44 178.39 2pqf h TRP 538 N 0.03 1.06 -0.47 1.13 2.91 -1.20 -2.64 115.95 116.78 2pqf h TRP 538 Ca -0.01 -0.25 -0.03 0.00 1.13 0.00 0.00 58.89 59.73 2pqf h TRP 538 Cb 1.26 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.64 2pqf h TRP 538 CO 0.01 1.05 0.19 0.93 -1.03 0.00 0.00 178.44 179.59 2pqf h GLU 539 N 0.80 0.70 0.00 2.65 5.08 -1.08 -0.50 114.58 122.23 2pqf h GLU 539 Ca 0.11 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2pqf h GLU 539 Cb 0.78 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2pqf h GLU 539 CO 0.06 0.62 -0.22 -0.39 -1.00 0.00 0.00 179.01 178.09 2pqf h VAL 540 N 0.61 0.43 0.33 3.13 -1.51 -1.61 -0.80 116.25 116.83 2pqf h VAL 540 Ca 0.16 -1.36 -0.02 0.00 -1.23 0.00 0.00 66.70 64.25 2pqf h VAL 540 Cb 0.18 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2pqf h VAL 540 CO -0.01 0.22 -0.16 0.22 -1.23 0.00 0.00 177.57 176.61 2pqf h TYR 541 N 0.00 -0.41 -0.41 5.19 3.20 -1.27 -1.41 116.97 121.85 2pqf h TYR 541 Ca -0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2pqf h TYR 541 Cb 0.99 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 2pqf h TYR 541 CO 0.00 -0.07 0.28 1.96 -1.64 0.00 0.00 178.16 178.69 2pqf h GLN 542 N -0.88 0.49 -0.32 1.82 1.08 -1.09 -0.92 115.11 115.29 2pqf h GLN 542 Ca -0.04 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 2pqf h GLN 542 Cb 0.52 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2pqf h GLN 542 CO 0.07 0.32 -0.10 2.35 -0.95 0.00 0.00 178.83 180.53 2pqf h TRP 543 N 0.50 0.72 -0.74 2.96 7.01 -1.18 -2.81 115.95 122.41 2pqf h TRP 543 Ca 0.16 -0.16 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2pqf h TRP 543 Cb 0.03 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2pqf h TRP 543 CO -0.00 0.82 0.23 0.37 -2.79 0.00 0.00 178.44 177.07 2pqf h GLN 544 N 0.41 1.16 -0.44 2.65 5.75 -0.74 -2.22 115.11 121.67 2pqf h GLN 544 Ca 0.08 -0.25 0.08 0.00 -0.15 0.00 0.00 58.65 58.41 2pqf h GLN 544 Cb 0.60 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 2pqf h GLN 544 CO 0.04 0.98 0.05 -0.22 -2.65 0.00 0.00 178.83 177.02 2pqf h LYS 545 N 1.10 0.16 -0.45 1.69 3.64 -1.14 -2.67 116.57 118.90 2pqf h LYS 545 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2pqf h LYS 545 Cb 0.31 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2pqf h LYS 545 CO -0.01 0.11 0.29 0.78 -2.27 0.00 0.00 179.45 178.35 2pqf h GLY 546 N 0.17 0.63 -1.30 5.01 0.00 -1.31 0.54 103.07 106.80 2pqf h GLY 546 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2pqf h GLY 546 CO -0.33 0.23 0.00 -1.06 0.00 0.00 0.00 176.54 175.39 2pqf n GLN 547 N -4.77 0.00 0.00 4.80 1.13 -0.85 -1.23 117.38 116.45 2pqf n GLN 547 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2pqf n GLN 547 Cb 0.02 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.35 2pqf n GLN 547 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2pqf n GLN 549 N 0.54 0.00 0.15 -1.09 6.02 0.18 -2.21 117.38 120.96 2pqf n GLN 549 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2pqf n GLN 549 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 2pqf n GLN 549 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2pqf h LYS 550 N 0.00 -0.29 0.00 -1.09 1.57 -1.44 -1.73 116.57 113.60 2pqf h LYS 550 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2pqf h LYS 550 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2pqf h LYS 550 CO 0.00 -0.17 0.00 1.96 -0.57 0.00 0.00 179.45 180.67 2pqf h GLN 551 N -0.32 0.00 0.00 3.15 1.08 -1.70 -2.71 115.11 114.61 2pqf h GLN 551 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2pqf h GLN 551 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2pqf h GLN 551 CO 0.05 0.00 -0.40 0.09 -0.95 0.00 0.00 178.83 177.62 2pqf n ASN 552 N -2.55 0.44 0.00 1.46 4.13 -1.08 -4.94 115.26 112.72 2pqf n ASN 552 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2pqf n ASN 552 Cb 0.23 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 2pqf n ASN 552 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pqf n GLY 553 N 1.46 1.96 2.30 7.41 0.00 -1.02 -4.01 105.19 113.29 2pqf n GLY 553 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2pqf n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqf n GLY 554 N -0.93 2.98 3.78 -0.02 0.00 -0.67 -5.04 105.19 105.28 2pqf n GLY 554 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2pqf n GLY 554 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqf s LYS 555 N -0.23 2.75 0.24 1.61 -0.14 -1.25 -4.92 119.74 117.80 2pqf s LYS 555 Ca 0.00 1.22 -0.30 0.00 -1.36 0.00 0.00 55.97 55.53 2pqf s LYS 555 Cb 0.00 -1.96 -0.09 0.00 -1.68 0.00 0.00 37.83 34.10 2pqf s LYS 555 CO 0.00 -1.27 1.27 0.00 -0.76 0.00 0.00 175.35 174.59 2pqf s ALA 556 N -2.65 3.49 -0.03 5.17 0.00 -1.26 -4.67 121.76 121.81 2pqf s ALA 556 Ca 0.63 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.46 2pqf s ALA 556 Cb -0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2pqf s ALA 556 CO 0.47 -0.49 0.71 0.08 0.00 0.00 0.00 175.76 176.53 2pqf s VAL 557 N -0.38 4.96 -0.11 0.00 1.01 -1.26 -4.99 120.40 119.61 2pqf s VAL 557 Ca 0.53 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 2pqf s VAL 557 Cb -0.36 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 2pqf s VAL 557 CO 0.42 0.29 2.08 -0.62 0.00 0.00 0.00 175.10 177.28 2pqf s ASP 558 N 0.51 5.91 -0.09 3.32 -1.08 -1.26 -4.90 116.67 119.08 2pqf s ASP 558 Ca 0.37 2.19 0.01 0.00 -0.52 0.00 0.00 52.55 54.61 2pqf s ASP 558 Cb -0.18 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.77 2pqf s ASP 558 CO 0.19 -1.55 -0.12 -0.70 0.52 0.00 0.00 175.17 173.51 2pqf s GLU 559 N 5.49 1.77 0.08 4.34 2.12 -1.26 -1.06 118.70 130.17 2pqf s GLU 559 Ca 0.94 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.91 2pqf s GLU 559 Cb -0.36 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 2pqf s GLU 559 CO 0.37 -0.07 -0.11 1.03 -0.54 0.00 0.00 175.26 175.94 2pqf s ARG 560 N 1.01 0.79 -0.30 4.30 0.52 0.05 -4.95 118.95 120.37 2pqf s ARG 560 Ca -0.08 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 53.94 2pqf s ARG 560 Cb -0.15 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 2pqf s ARG 560 CO -0.01 0.10 0.36 -0.65 0.02 0.00 0.00 175.30 175.12 2pqf s GLN 561 N -2.35 3.81 0.07 3.54 -0.21 -1.26 -0.69 119.66 122.57 2pqf s GLN 561 Ca 0.01 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.25 2pqf s GLN 561 Cb -0.06 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.20 2pqf s GLN 561 CO 0.01 -0.38 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.17 2pqf s LEU 562 N 2.04 2.29 0.20 2.90 1.43 0.19 -4.89 118.68 122.84 2pqf s LEU 562 Ca 0.13 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2pqf s LEU 562 Cb -0.16 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 2pqf s LEU 562 CO 0.11 -0.15 0.59 -0.36 0.23 0.00 0.00 176.35 176.77 2pqf s PHE 563 N -1.53 3.52 -0.24 0.29 0.08 0.13 -0.10 117.98 120.13 2pqf s PHE 563 Ca -0.03 1.05 -0.04 0.00 0.12 0.00 0.00 56.93 58.03 2pqf s PHE 563 Cb -0.09 -2.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.08 2pqf s PHE 563 CO 0.01 0.32 0.17 -1.58 -0.10 0.00 0.00 175.22 174.04 2pqf s HIS 564 N -1.66 0.02 0.24 0.36 5.65 -0.11 -0.72 115.29 119.07 2pqf s HIS 564 Ca 0.44 -0.35 -0.30 0.00 0.25 0.00 0.00 55.06 55.10 2pqf s HIS 564 Cb -0.13 -0.65 -0.09 0.00 -1.18 0.00 0.00 32.58 30.53 2pqf s HIS 564 CO 0.20 -0.70 1.00 0.20 -0.65 0.00 0.00 174.74 174.78 2pqf s GLY 565 N 2.21 3.08 0.34 1.59 0.00 -1.26 -0.28 107.32 113.01 2pqf s GLY 565 Ca 0.07 0.71 -0.08 0.00 0.00 0.00 0.00 44.72 45.42 2pqf s GLY 565 CO -0.23 1.33 0.57 -1.08 0.00 0.00 0.00 173.10 173.69 2pqf s THR 566 N -1.06 0.00 0.45 0.90 -1.32 -1.19 -4.45 115.64 108.96 2pqf s THR 566 Ca 0.43 -1.38 -0.08 0.00 -1.21 0.00 0.00 61.69 59.45 2pqf s THR 566 Cb -0.28 -2.63 -0.05 0.00 -1.51 0.00 0.00 72.50 68.03 2pqf s THR 566 CO 0.35 0.00 0.78 -0.44 -2.21 0.00 0.00 174.62 173.10 2pqf s SER 567 N -3.15 6.38 0.48 8.08 0.01 -1.26 -4.04 113.70 120.20 2pqf s SER 567 Ca 0.24 1.03 0.22 0.00 1.31 0.00 0.00 55.95 58.75 2pqf s SER 567 Cb -0.02 -2.29 1.23 0.00 0.21 0.00 0.00 66.02 65.15 2pqf s SER 567 CO 0.16 -0.50 2.02 0.00 0.41 0.00 0.00 173.24 175.33 2pqf h ALA 568 N 0.69 1.43 0.00 1.44 0.00 -1.91 -2.45 119.26 118.46 2pqf h ALA 568 Ca -0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2pqf h ALA 568 Cb 1.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pqf h ALA 568 CO 0.63 0.21 -0.06 -0.84 0.00 0.00 0.00 179.25 179.18 2pqf h ILE 569 N 0.00 0.23 -0.00 0.00 3.07 -1.96 -2.87 117.51 115.97 2pqf h ILE 569 Ca -0.00 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.95 2pqf h ILE 569 Cb 0.36 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2pqf h ILE 569 CO 0.02 0.06 -0.49 0.49 -1.05 0.00 0.00 178.15 177.18 2pqf n PHE 570 N -3.29 0.00 0.22 0.16 3.72 -0.92 -4.61 117.46 112.75 2pqf n PHE 570 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 2pqf n PHE 570 Cb 0.24 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 2pqf n PHE 570 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2pqf h VAL 571 N 0.47 0.63 0.00 -4.37 2.07 -1.61 -1.41 116.25 112.03 2pqf h VAL 571 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 2pqf h VAL 571 Cb 0.51 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2pqf h VAL 571 CO 0.00 0.00 -0.30 0.44 0.02 0.00 0.00 177.57 177.73 2pqf h ASP 572 N -0.52 0.00 -0.51 0.57 3.32 -1.81 -2.15 116.42 115.31 2pqf h ASP 572 Ca -0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2pqf h ASP 572 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2pqf h ASP 572 CO 0.09 0.30 -0.01 0.00 -1.72 0.00 0.00 179.24 177.89 2pqf h ALA 573 N 1.70 0.69 -0.40 3.45 0.00 -1.74 -2.88 119.26 120.08 2pqf h ALA 573 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2pqf h ALA 573 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pqf h ALA 573 CO 0.04 0.52 -0.34 0.82 0.00 0.00 0.00 179.25 180.29 2pqf h ILE 574 N 0.78 1.27 -0.38 0.00 2.04 -0.94 -0.41 117.51 119.87 2pqf h ILE 574 Ca 0.14 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 2pqf h ILE 574 Cb 0.54 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2pqf h ILE 574 CO 0.03 0.51 0.17 0.00 0.00 0.00 0.00 178.15 178.85 2pqf h GLN 576 N 0.53 0.25 -0.00 0.00 4.15 -1.48 -3.43 115.11 115.13 2pqf h GLN 576 Ca 0.13 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2pqf h GLN 576 Cb 0.09 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2pqf h GLN 576 CO -0.02 1.21 -0.02 1.04 -1.93 0.00 0.00 178.83 179.11 2pqf n GLN 577 N -3.83 1.27 -0.29 1.69 6.02 -0.17 -4.91 117.38 117.16 2pqf n GLN 577 Ca -0.27 -0.42 0.04 0.00 -0.01 0.00 0.00 57.00 56.34 2pqf n GLN 577 Cb 0.94 -0.90 -0.01 0.00 1.02 0.00 0.00 30.24 31.29 2pqf n GLN 577 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pqf n ASN 578 N -0.23 -1.76 -4.76 1.08 2.85 0.14 -4.88 115.26 107.70 2pqf n ASN 578 Ca 0.01 0.20 -0.38 0.00 -0.11 0.00 0.00 54.58 54.30 2pqf n ASN 578 Cb 0.03 -0.94 0.02 0.00 1.24 0.00 0.00 39.78 40.13 2pqf n ASN 578 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2pqf s PHE 579 N -2.19 2.55 -0.23 1.20 0.40 -1.26 -4.48 117.98 113.96 2pqf s PHE 579 Ca 0.00 1.44 -0.03 0.00 -0.60 0.00 0.00 56.93 57.74 2pqf s PHE 579 Cb 0.00 -3.62 0.12 0.00 0.51 0.00 0.00 43.02 40.04 2pqf s PHE 579 CO 0.00 -2.28 0.35 0.34 0.70 0.00 0.00 175.22 174.33 2pqf s ASP 580 N -1.12 0.40 0.22 1.36 -1.08 -1.26 -4.93 116.67 110.26 2pqf s ASP 580 Ca 0.68 0.19 0.22 0.00 -0.52 0.00 0.00 52.55 53.11 2pqf s ASP 580 Cb -0.35 1.00 0.93 0.00 -1.46 0.00 0.00 42.92 43.04 2pqf s ASP 580 CO 0.42 -0.30 1.66 -2.67 0.52 0.00 0.00 175.17 174.80 2pqf n TRP 581 N 5.36 0.67 0.17 -5.34 4.27 -1.26 -3.37 117.44 117.94 2pqf n TRP 581 Ca -0.04 0.27 0.05 0.00 -3.89 0.00 0.00 57.50 53.89 2pqf n TRP 581 Cb 0.50 -0.94 0.21 0.00 -1.36 0.00 0.00 31.31 29.72 2pqf n TRP 581 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2pqf h ARG 582 N 0.00 0.00 -0.53 -2.67 3.08 -1.96 -0.35 114.38 111.95 2pqf h ARG 582 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2pqf h ARG 582 Cb 0.31 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.25 2pqf h ARG 582 CO 0.00 0.42 -0.44 0.28 -1.07 0.00 0.00 179.97 179.16 2pqf h VAL 583 N 0.00 0.09 0.00 2.04 2.07 -2.01 -3.14 116.25 115.29 2pqf h VAL 583 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pqf h VAL 583 Cb 1.10 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2pqf h VAL 583 CO 0.05 0.00 -1.69 0.00 0.02 0.00 0.00 177.57 175.96 2pqf n GLY 585 N 1.45 -2.21 3.10 0.00 0.00 -0.14 -4.93 105.19 102.46 2pqf n GLY 585 Ca -0.02 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 2pqf n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqf s VAL 586 N -0.24 1.64 -0.36 1.61 0.11 -1.26 -4.82 120.40 117.09 2pqf s VAL 586 Ca 0.00 -0.75 0.14 0.00 -2.93 0.00 0.00 61.98 58.44 2pqf s VAL 586 Cb 0.00 -1.47 0.42 0.00 -1.53 0.00 0.00 36.38 33.80 2pqf s VAL 586 CO 0.00 0.47 1.01 1.41 -3.33 0.00 0.00 175.10 174.66 2pqf n HIS 587 N 3.95 -0.06 0.00 1.54 8.25 -1.26 -5.10 115.22 122.54 2pqf n HIS 587 Ca -0.20 -2.74 0.00 0.00 -0.26 0.00 0.00 57.72 54.52 2pqf n HIS 587 Cb 0.52 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2pqf n HIS 587 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pqf n SER 590 N -0.08 0.00 -0.70 0.41 2.88 -1.26 -5.23 113.62 109.63 2pqf n SER 590 Ca 0.09 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.68 2pqf n SER 590 Cb 0.79 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.45 2pqf n SER 590 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2pqf n TYR 591 N -0.44 0.55 0.00 0.66 4.02 -1.26 -3.16 117.16 117.53 2pqf n TYR 591 Ca 0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 57.90 56.63 2pqf n TYR 591 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 2pqf n TYR 591 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pqf n GLY 592 N -1.06 3.11 3.31 2.72 0.00 -0.66 -2.64 105.19 109.98 2pqf n GLY 592 Ca 0.23 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 2pqf n GLY 592 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pqf n LYS 593 N -1.50 3.42 -3.56 1.61 4.01 0.57 -4.92 118.16 117.78 2pqf n LYS 593 Ca 0.00 -3.72 -0.12 0.00 -0.51 0.00 0.00 58.31 53.96 2pqf n LYS 593 Cb 0.00 -3.04 -0.02 0.00 -0.51 0.00 0.00 35.03 31.45 2pqf n LYS 593 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pqf n GLY 594 N 3.83 2.23 3.78 0.72 0.00 -1.26 -4.83 105.19 109.66 2pqf n GLY 594 Ca 0.39 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2pqf n GLY 594 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pqf s SER 595 N -2.80 6.62 0.03 1.61 0.01 -0.54 -4.78 113.70 113.85 2pqf s SER 595 Ca 0.24 2.15 0.05 0.00 1.31 0.00 0.00 55.95 59.69 2pqf s SER 595 Cb -0.01 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2pqf s SER 595 CO 0.17 -0.59 -0.09 -0.31 0.41 0.00 0.00 173.24 172.82 2pqf s TYR 596 N -1.58 2.80 -0.02 2.43 1.51 -1.26 -1.39 117.35 119.84 2pqf s TYR 596 Ca 0.58 -0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.44 2pqf s TYR 596 Cb -0.25 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 2pqf s TYR 596 CO 0.31 0.36 0.21 -0.06 -1.11 0.00 0.00 175.55 175.26 2pqf s PHE 597 N -1.03 -0.08 -0.02 2.71 0.40 -0.45 -4.77 117.98 114.74 2pqf s PHE 597 Ca 0.18 0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.68 2pqf s PHE 597 Cb -0.11 0.02 -0.01 0.00 0.51 0.00 0.00 43.02 43.43 2pqf s PHE 597 CO 0.09 -0.29 -0.18 0.00 0.70 0.00 0.00 175.22 175.53 2pqf s ALA 598 N -1.12 1.51 0.15 5.36 0.00 0.10 -1.37 121.76 126.39 2pqf s ALA 598 Ca -0.12 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2pqf s ALA 598 Cb -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.70 2pqf s ALA 598 CO 0.02 0.34 1.77 -0.09 0.00 0.00 0.00 175.76 177.80 2pqf h ARG 599 N 5.84 0.33 -4.98 0.00 2.43 -1.47 0.36 114.38 116.89 2pqf h ARG 599 Ca -0.36 -0.02 -0.63 0.00 -0.81 0.00 0.00 59.98 58.16 2pqf h ARG 599 Cb 1.15 -0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 30.46 2pqf h ARG 599 CO 0.48 0.22 -0.53 -0.51 -1.51 0.00 0.00 179.97 178.11 2pqf s ASP 600 N -5.41 5.88 0.44 -3.80 1.01 -1.26 -4.66 116.67 108.88 2pqf s ASP 600 Ca -0.13 -0.00 0.27 0.00 0.71 0.00 0.00 52.55 53.40 2pqf s ASP 600 Cb 0.12 -2.08 1.32 0.00 1.01 0.00 0.00 42.92 43.29 2pqf s ASP 600 CO 0.71 -0.00 1.72 0.00 0.21 0.00 0.00 175.17 177.81 2pqf h ALA 601 N 8.01 2.64 0.00 5.23 0.00 -1.84 -0.89 119.26 132.40 2pqf h ALA 601 Ca -0.36 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2pqf h ALA 601 Cb 1.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2pqf h ALA 601 CO 0.59 -1.12 -0.22 0.00 0.00 0.00 0.00 179.25 178.51 2pqf h ALA 602 N 1.55 1.54 0.11 0.00 0.00 -1.88 -2.21 119.26 118.37 2pqf h ALA 602 Ca 0.68 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 55.11 2pqf h ALA 602 Cb 2.11 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.90 2pqf h ALA 602 CO -0.28 0.27 -1.16 -0.92 0.00 0.00 0.00 179.25 177.17 2pqf h TYR 603 N 0.00 0.95 0.00 0.00 3.20 -1.53 -3.28 116.97 116.31 2pqf h TYR 603 Ca -0.00 -0.60 -0.04 0.00 3.14 0.00 0.00 58.73 61.23 2pqf h TYR 603 Cb 0.41 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2pqf h TYR 603 CO 0.00 1.44 -0.17 0.77 -1.64 0.00 0.00 178.16 178.56 2pqf h SER 604 N 0.20 0.00 -0.74 -2.11 0.02 -1.45 -3.27 113.55 106.20 2pqf h SER 604 Ca -0.18 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2pqf h SER 604 Cb 1.85 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.28 2pqf h SER 604 CO 0.22 0.17 0.16 -0.74 -1.14 0.00 0.00 176.83 175.50 2pqf h HIS 605 N 0.00 0.24 -0.73 3.45 -0.00 -1.47 0.14 115.15 116.79 2pqf h HIS 605 Ca -0.00 0.04 0.21 0.00 -0.00 0.00 0.00 60.37 60.62 2pqf h HIS 605 Cb 0.45 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2pqf h HIS 605 CO 0.00 -0.11 0.64 0.45 -0.00 0.00 0.00 177.93 178.91 2pqf h HIS 606 N 0.25 0.00 -0.00 5.26 -0.00 -1.76 -1.06 115.15 117.83 2pqf h HIS 606 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 2pqf h HIS 606 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2pqf h HIS 606 CO -0.28 0.00 -0.77 0.66 -0.00 0.00 0.00 177.93 177.54 2pqf n TYR 607 N -3.90 0.00 -2.30 2.45 4.02 0.44 -4.54 117.16 113.32 2pqf n TYR 607 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 2pqf n TYR 607 Cb 0.90 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 2pqf n TYR 607 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2pqf n SER 608 N -1.05 4.64 -4.74 7.72 7.64 -0.40 -3.18 113.62 124.26 2pqf n SER 608 Ca 0.06 -2.94 -0.42 0.00 1.01 0.00 0.00 58.87 56.59 2pqf n SER 608 Cb 0.37 -1.64 -0.03 0.00 -1.01 0.00 0.00 64.21 61.90 2pqf n SER 608 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2pqf s LYS 609 N 2.77 4.31 -0.02 1.43 3.01 -1.26 -4.78 119.74 125.21 2pqf s LYS 609 Ca 0.47 2.19 -0.12 0.00 -1.01 0.00 0.00 55.97 57.50 2pqf s LYS 609 Cb 0.07 -3.16 0.02 0.00 -1.01 0.00 0.00 37.83 33.75 2pqf s LYS 609 CO -0.00 -0.38 0.25 0.45 0.51 0.00 0.00 175.35 176.17 2pqf s SER 610 N 0.54 -0.12 0.05 2.83 0.15 -1.26 -4.46 113.70 111.42 2pqf s SER 610 Ca 0.60 0.03 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 2pqf s SER 610 Cb -0.39 0.30 -0.33 0.00 -1.71 0.00 0.00 66.02 63.89 2pqf s SER 610 CO 0.38 -0.39 1.05 0.44 1.20 0.00 0.00 173.24 175.93 2pqf h ASP 611 N 4.19 0.67 -3.36 5.45 3.32 -1.96 -3.47 116.42 121.27 2pqf h ASP 611 Ca -0.30 -0.73 -0.09 0.00 0.02 0.00 0.00 57.03 55.94 2pqf h ASP 611 Cb 1.18 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.54 2pqf h ASP 611 CO 0.40 1.57 0.04 0.35 -1.72 0.00 0.00 179.24 179.87 2pqf n THR 612 N -3.64 0.00 1.20 0.35 -2.24 -1.26 -5.02 114.28 103.67 2pqf n THR 612 Ca -0.14 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2pqf n THR 612 Cb 1.07 -1.44 0.27 0.00 -2.10 0.00 0.00 70.33 68.13 2pqf n THR 612 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqf n GLN 613 N -1.42 1.38 -3.64 -0.78 6.02 -1.26 -4.87 117.38 112.81 2pqf n GLN 613 Ca 0.03 -0.98 -0.36 0.00 -0.01 0.00 0.00 57.00 55.69 2pqf n GLN 613 Cb 0.12 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.82 2pqf n GLN 613 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2pqf s THR 614 N -2.29 5.36 0.35 5.09 -4.23 -1.26 -1.66 115.64 117.00 2pqf s THR 614 Ca 0.27 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.22 2pqf s THR 614 Cb 0.19 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 2pqf s THR 614 CO 0.45 0.41 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.86 2pqf s HIS 615 N 0.44 2.41 0.24 3.99 3.76 0.12 -4.86 115.29 121.40 2pqf s HIS 615 Ca 0.12 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2pqf s HIS 615 Cb -0.12 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 2pqf s HIS 615 CO 0.01 0.57 0.06 0.99 -0.85 0.00 0.00 174.74 175.52 2pqf s THR 616 N -2.62 0.66 0.04 1.30 2.01 -1.26 -1.36 115.64 114.40 2pqf s THR 616 Ca 0.33 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.39 2pqf s THR 616 Cb 0.03 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2pqf s THR 616 CO 0.17 -0.14 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.42 2pqf s PHE 618 N -3.68 1.60 -0.41 4.92 0.08 0.62 -3.21 117.98 117.90 2pqf s PHE 618 Ca 0.34 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 2pqf s PHE 618 Cb 0.07 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 2pqf s PHE 618 CO 0.11 0.06 0.32 -1.17 -0.10 0.00 0.00 175.22 174.44 2pqf s LEU 619 N -1.08 5.09 0.12 -0.37 2.96 -0.45 -0.94 118.68 124.01 2pqf s LEU 619 Ca 0.06 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 2pqf s LEU 619 Cb -0.08 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2pqf s LEU 619 CO 0.01 -0.47 0.30 0.00 -1.32 0.00 0.00 176.35 174.88 2pqf s ALA 620 N 1.74 3.91 -0.22 5.97 0.00 0.85 -1.62 121.76 132.39 2pqf s ALA 620 Ca 0.06 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2pqf s ALA 620 Cb -0.19 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2pqf s ALA 620 CO 0.10 0.66 0.47 0.50 0.00 0.00 0.00 175.76 177.49 2pqf s ARG 621 N -2.83 4.15 -0.06 0.00 3.52 -0.30 -0.64 118.95 122.79 2pqf s ARG 621 Ca 0.37 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 2pqf s ARG 621 Cb -0.12 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.71 2pqf s ARG 621 CO 0.27 -0.16 -0.07 0.08 -0.81 0.00 0.00 175.30 174.61 2pqf s VAL 622 N 1.70 0.78 -0.81 7.11 1.01 0.14 -0.92 120.40 129.40 2pqf s VAL 622 Ca 0.21 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2pqf s VAL 622 Cb -0.15 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.54 2pqf s VAL 622 CO 0.09 0.28 1.12 -0.76 0.00 0.00 0.00 175.10 175.83 2pqf s LEU 623 N 0.93 4.37 0.14 3.92 1.43 0.45 -0.77 118.68 129.16 2pqf s LEU 623 Ca -0.10 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.71 2pqf s LEU 623 Cb -0.15 -2.45 -0.15 0.00 0.03 0.00 0.00 46.19 43.48 2pqf s LEU 623 CO 0.01 -1.36 1.32 -0.37 0.23 0.00 0.00 176.35 176.17 2pqf h VAL 624 N 6.05 1.62 0.00 -1.59 -1.51 -1.59 -3.47 116.25 115.76 2pqf h VAL 624 Ca -0.07 -3.23 0.00 0.00 -1.23 0.00 0.00 66.70 62.17 2pqf h VAL 624 Cb 1.04 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.97 2pqf h VAL 624 CO 1.20 0.91 0.00 0.61 -1.23 0.00 0.00 177.57 179.06 2pqf n GLY 625 N 1.28 3.38 3.67 5.19 0.00 -0.23 -3.78 105.19 114.70 2pqf n GLY 625 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2pqf n GLY 625 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pqf s GLU 626 N 0.00 4.06 0.26 1.61 2.02 -1.26 -4.51 118.70 120.87 2pqf s GLU 626 Ca 0.00 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 54.75 2pqf s GLU 626 Cb 0.00 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2pqf s GLU 626 CO 0.00 0.29 -0.06 -0.59 0.02 0.00 0.00 175.26 174.91 2pqf s PHE 627 N 0.36 1.83 0.07 1.61 -0.12 -1.26 -0.93 117.98 119.54 2pqf s PHE 627 Ca 0.05 -0.72 -0.07 0.00 -0.05 0.00 0.00 56.93 56.14 2pqf s PHE 627 Cb -0.12 -1.02 -0.01 0.00 -0.63 0.00 0.00 43.02 41.25 2pqf s PHE 627 CO -0.01 0.23 0.14 0.54 -0.05 0.00 0.00 175.22 176.08 2pqf s VAL 628 N -3.09 0.15 0.27 -2.49 0.11 -1.19 -5.02 120.40 109.15 2pqf s VAL 628 Ca 0.28 -1.24 -0.30 0.00 -2.93 0.00 0.00 61.98 57.78 2pqf s VAL 628 Cb 0.03 -1.28 -0.11 0.00 -1.53 0.00 0.00 36.38 33.50 2pqf s VAL 628 CO 0.10 -0.69 1.53 -0.60 -3.33 0.00 0.00 175.10 172.12 2pqf s ARG 629 N -3.59 4.18 0.93 1.54 3.52 -1.26 -2.05 118.95 122.21 2pqf s ARG 629 Ca 0.03 2.47 -0.15 0.00 -0.13 0.00 0.00 55.73 57.95 2pqf s ARG 629 Cb 0.04 -3.06 0.16 0.00 -1.56 0.00 0.00 34.95 30.54 2pqf s ARG 629 CO -0.09 -0.55 1.25 0.20 -0.81 0.00 0.00 175.30 175.30 2pqf s GLY 630 N 0.44 1.69 -0.20 8.12 0.00 0.11 -4.71 107.32 112.76 2pqf s GLY 630 Ca 0.62 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 2pqf s GLY 630 CO 0.46 -0.27 0.52 0.21 0.00 0.00 0.00 173.10 174.01 2pqf s ASN 631 N -4.64 -0.55 0.54 1.64 3.04 -1.08 -4.86 114.94 109.03 2pqf s ASN 631 Ca 0.69 1.05 0.29 0.00 0.04 0.00 0.00 52.86 54.93 2pqf s ASN 631 Cb -0.08 1.05 1.46 0.00 -1.54 0.00 0.00 41.25 42.14 2pqf s ASN 631 CO 0.52 -0.18 1.93 0.00 -3.04 0.00 0.00 177.10 176.32 2pqf h ALA 632 N 5.48 2.70 0.00 1.71 0.00 -1.82 -1.62 119.26 125.72 2pqf h ALA 632 Ca -0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2pqf h ALA 632 Cb 1.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pqf h ALA 632 CO 0.19 -0.94 -0.30 0.66 0.00 0.00 0.00 179.25 178.86 2pqf h SER 633 N 0.00 0.00 -2.89 0.00 4.64 -1.94 -3.40 113.55 109.96 2pqf h SER 633 Ca 0.36 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.15 2pqf h SER 633 Cb 1.45 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.60 2pqf h SER 633 CO -0.00 0.13 0.93 -0.36 -0.87 0.00 0.00 176.83 176.66 2pqf s PHE 634 N -3.16 2.92 -0.92 4.77 2.99 -0.91 -4.87 117.98 118.81 2pqf s PHE 634 Ca 0.05 0.56 0.14 0.00 0.00 0.00 0.00 56.93 57.67 2pqf s PHE 634 Cb 0.06 -4.05 -0.08 0.00 0.00 0.00 0.00 43.02 38.95 2pqf s PHE 634 CO 0.71 -3.81 0.66 1.33 -0.00 0.00 0.00 175.22 174.10 2pqf n VAL 635 N 3.50 0.00 -4.07 -0.44 0.24 -1.26 -0.32 118.33 115.98 2pqf n VAL 635 Ca 0.13 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 2pqf n VAL 635 Cb 0.37 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 2pqf n VAL 635 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2pqf s ARG 636 N -2.02 1.41 0.51 7.34 0.52 -1.26 -4.86 118.95 120.59 2pqf s ARG 636 Ca 0.08 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 53.69 2pqf s ARG 636 Cb 0.11 0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.91 2pqf s ARG 636 CO 0.46 -0.54 1.19 -2.14 0.02 0.00 0.00 175.30 174.29 2pqf s PRO 637 N -4.07 3.44 0.82 3.54 0.02 -1.26 -5.01 135.00 132.48 2pqf s PRO 637 Ca 0.28 1.81 -0.13 0.00 0.02 0.00 0.00 61.00 62.99 2pqf s PRO 637 Cb 0.02 -2.21 0.08 0.00 0.02 0.00 0.00 34.50 32.41 2pqf s PRO 637 CO 0.10 -0.82 1.14 -2.30 -0.33 0.00 0.00 177.00 174.79 2pqf n PRO 638 N -0.94 0.11 -1.97 5.54 -0.02 -1.26 -4.65 135.00 131.82 2pqf n PRO 638 Ca 0.10 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 2pqf n PRO 638 Cb 0.48 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2pqf n PRO 638 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pqf s ALA 639 N -2.17 3.56 0.47 3.55 0.00 -1.26 -2.09 121.76 123.81 2pqf s ALA 639 Ca 0.72 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.86 2pqf s ALA 639 Cb -0.29 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 2pqf s ALA 639 CO 0.52 -0.82 1.10 0.15 0.00 0.00 0.00 175.76 176.71 2pqf s LYS 640 N -1.57 3.79 0.25 0.00 1.02 -0.79 -4.82 119.74 117.61 2pqf s LYS 640 Ca 0.53 1.57 -0.31 0.00 0.02 0.00 0.00 55.97 57.78 2pqf s LYS 640 Cb -0.43 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.48 2pqf s LYS 640 CO 0.54 -0.48 1.67 -2.00 -0.92 0.00 0.00 175.35 174.16 2pqf s GLU 641 N -2.90 4.12 0.00 1.68 2.12 -1.26 -4.71 118.70 117.75 2pqf s GLU 641 Ca 0.65 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.58 2pqf s GLU 641 Cb -0.23 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.11 2pqf s GLU 641 CO 0.28 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 2pqf n GLY 642 N 3.16 0.78 0.00 -1.50 0.00 -1.26 -4.95 105.19 101.43 2pqf n GLY 642 Ca 0.12 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.43 2pqf n GLY 642 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2pqf n TRP 643 N 9.00 0.00 1.45 1.61 2.14 -1.26 -4.67 117.44 125.71 2pqf n TRP 643 Ca 0.00 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.65 2pqf n TRP 643 Cb 0.00 -0.13 0.33 0.00 -0.81 0.00 0.00 31.31 30.71 2pqf n TRP 643 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2pqf n SER 644 N -1.60 1.07 -3.38 -0.67 3.41 -1.26 -4.90 113.62 106.29 2pqf n SER 644 Ca -0.01 -1.72 -0.24 0.00 -0.26 0.00 0.00 58.87 56.64 2pqf n SER 644 Cb 0.18 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 2pqf n SER 644 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2pqf n ASN 645 N -0.03 -6.24 -4.91 4.04 2.85 -1.26 -4.99 115.26 104.72 2pqf n ASN 645 Ca 0.13 -0.45 -0.27 0.00 -0.11 0.00 0.00 54.58 53.88 2pqf n ASN 645 Cb 0.21 -4.96 0.02 0.00 1.24 0.00 0.00 39.78 36.29 2pqf n ASN 645 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqf s ALA 646 N -3.26 3.33 0.08 5.20 0.00 -1.26 -5.01 121.76 120.84 2pqf s ALA 646 Ca 0.48 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2pqf s ALA 646 Cb -0.21 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2pqf s ALA 646 CO 0.60 -0.60 -0.12 -0.06 0.00 0.00 0.00 175.76 175.58 2pqf s PHE 647 N -2.89 1.11 0.98 0.00 0.40 -1.26 -1.88 117.98 114.43 2pqf s PHE 647 Ca 0.51 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 2pqf s PHE 647 Cb -0.10 -0.62 0.18 0.00 0.51 0.00 0.00 43.02 42.99 2pqf s PHE 647 CO 0.46 0.03 1.10 0.71 0.70 0.00 0.00 175.22 178.22 2pqf s TYR 648 N -1.77 1.67 -0.59 0.36 2.02 -0.89 -4.80 117.35 113.35 2pqf s TYR 648 Ca 0.01 1.54 0.22 0.00 -0.37 0.00 0.00 57.07 58.46 2pqf s TYR 648 Cb -0.07 -3.23 -0.22 0.00 -0.40 0.00 0.00 41.96 38.04 2pqf s TYR 648 CO 0.01 -3.04 0.77 -0.25 -1.57 0.00 0.00 175.55 171.48 2pqf n ASP 649 N -4.37 0.58 -3.54 2.29 8.00 -0.10 -4.67 116.55 114.73 2pqf n ASP 649 Ca 0.08 -0.52 -0.07 0.00 0.71 0.00 0.00 54.79 55.00 2pqf n ASP 649 Cb 0.53 1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.94 2pqf n ASP 649 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pqf s SER 650 N -3.69 -0.28 0.41 -2.24 1.04 -1.22 -4.74 113.70 102.98 2pqf s SER 650 Ca 0.02 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.50 2pqf s SER 650 Cb 0.15 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 2pqf s SER 650 CO 0.87 -0.52 0.21 0.00 0.98 0.00 0.00 173.24 174.79 2pqf s VAL 652 N -2.57 0.03 0.14 0.00 0.11 -0.87 -1.36 120.40 115.88 2pqf s VAL 652 Ca 0.42 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 2pqf s VAL 652 Cb 0.03 -1.11 -0.18 0.00 -1.53 0.00 0.00 36.38 33.58 2pqf s VAL 652 CO 0.23 -0.13 1.32 -0.55 -3.33 0.00 0.00 175.10 172.65 2pqf h ASN 653 N 2.16 0.05 -3.15 3.54 -1.07 -1.84 0.30 115.58 115.57 2pqf h ASN 653 Ca -0.34 -0.05 -0.10 0.00 0.07 0.00 0.00 56.30 55.88 2pqf h ASN 653 Cb 1.29 -0.02 -0.26 0.00 -2.07 0.00 0.00 38.32 37.26 2pqf h ASN 653 CO 0.41 0.97 -0.27 -0.55 0.07 0.00 0.00 177.43 178.07 2pqf s SER 654 N -6.78 -0.55 0.11 6.14 0.15 -1.26 -4.84 113.70 106.68 2pqf s SER 654 Ca -0.00 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.53 2pqf s SER 654 Cb 0.10 0.87 -0.13 0.00 -1.71 0.00 0.00 66.02 65.15 2pqf s SER 654 CO 0.82 -0.20 1.28 0.58 1.20 0.00 0.00 173.24 176.92 2pqf h VAL 655 N 5.54 1.34 -0.48 4.45 2.07 -1.93 -2.72 116.25 124.52 2pqf h VAL 655 Ca -0.35 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 64.76 2pqf h VAL 655 Cb 1.18 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2pqf h VAL 655 CO 0.27 0.70 -0.19 0.77 0.02 0.00 0.00 177.57 179.14 2pqf h SER 656 N 0.33 0.97 -2.22 0.57 4.64 -2.01 -3.39 113.55 112.45 2pqf h SER 656 Ca -0.09 -0.35 -0.49 0.00 -0.47 0.00 0.00 61.79 60.39 2pqf h SER 656 Cb 1.56 -0.27 -0.35 0.00 -0.31 0.00 0.00 62.40 63.04 2pqf h SER 656 CO 0.17 1.13 -0.82 -0.62 -0.87 0.00 0.00 176.83 175.82 2pqf s ASP 657 N -6.71 1.64 -0.11 4.97 3.68 -1.25 -5.13 116.67 113.76 2pqf s ASP 657 Ca -0.11 -2.27 -0.28 0.00 2.13 0.00 0.00 52.55 52.02 2pqf s ASP 657 Cb 0.13 0.03 -0.02 0.00 -1.45 0.00 0.00 42.92 41.61 2pqf s ASP 657 CO 0.86 -0.23 0.93 -2.16 0.13 0.00 0.00 175.17 174.70 2pqf s PRO 658 N 0.83 4.40 -0.00 4.34 0.04 -1.03 -4.54 135.00 139.05 2pqf s PRO 658 Ca 0.23 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.54 2pqf s PRO 658 Cb -0.11 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2pqf s PRO 658 CO -0.07 -0.26 0.03 -1.13 0.04 0.00 0.00 177.00 175.61 2pqf n SER 659 N 4.86 2.61 -4.03 6.66 3.41 -1.26 -4.83 113.62 121.04 2pqf n SER 659 Ca 0.06 -0.24 -0.27 0.00 -0.26 0.00 0.00 58.87 58.17 2pqf n SER 659 Cb 0.49 1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 65.30 2pqf n SER 659 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pqf s ILE 660 N -1.63 1.31 -0.09 -1.33 1.01 -1.26 -1.19 121.20 118.01 2pqf s ILE 660 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2pqf s ILE 660 Cb 0.01 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2pqf s ILE 660 CO 0.05 0.40 -0.16 -0.36 0.00 0.00 0.00 174.94 174.87 2pqf s PHE 661 N 0.97 2.70 -0.16 3.97 0.40 -0.47 -2.65 117.98 122.73 2pqf s PHE 661 Ca -0.08 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 2pqf s PHE 661 Cb -0.15 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2pqf s PHE 661 CO -0.01 -0.08 -0.04 0.08 0.70 0.00 0.00 175.22 175.88 2pqf s VAL 662 N -0.12 3.78 -0.12 -0.44 1.01 -0.46 -1.33 120.40 122.71 2pqf s VAL 662 Ca -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2pqf s VAL 662 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2pqf s VAL 662 CO 0.04 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 174.77 2pqf s ILE 663 N 0.55 2.20 -0.89 2.22 -1.09 -0.49 -1.66 121.20 122.05 2pqf s ILE 663 Ca -0.03 -0.96 0.19 0.00 -2.23 0.00 0.00 60.65 57.62 2pqf s ILE 663 Cb -0.14 -1.86 -0.21 0.00 -1.58 0.00 0.00 42.46 38.66 2pqf s ILE 663 CO 0.03 0.55 0.81 0.49 -1.23 0.00 0.00 174.94 175.59 2pqf n PHE 664 N 3.68 0.00 -4.03 3.97 3.01 -1.26 -1.47 117.46 121.36 2pqf n PHE 664 Ca -0.19 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.94 2pqf n PHE 664 Cb 0.53 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.84 2pqf n PHE 664 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2pqf s GLU 665 N -2.83 2.63 0.27 -1.08 2.56 -1.26 -5.00 118.70 113.99 2pqf s GLU 665 Ca 0.07 -1.10 0.01 0.00 0.00 0.00 0.00 54.97 53.95 2pqf s GLU 665 Cb 0.14 -2.87 0.62 0.00 2.00 0.00 0.00 34.13 34.02 2pqf s GLU 665 CO 0.79 -0.43 1.73 -0.22 -0.56 0.00 0.00 175.26 176.57 2pqf h LYS 666 N 7.91 0.51 0.00 4.30 3.64 -1.92 -2.05 116.57 128.96 2pqf h LYS 666 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2pqf h LYS 666 Cb 1.09 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2pqf h LYS 666 CO 0.55 0.33 0.00 0.72 -2.27 0.00 0.00 179.45 178.78 2pqf n HIS 667 N -4.95 0.00 1.97 1.91 8.25 -1.26 -1.92 115.22 119.22 2pqf n HIS 667 Ca 0.19 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.80 2pqf n HIS 667 Cb 0.53 -0.43 0.89 0.00 1.12 0.00 0.00 29.99 32.10 2pqf n HIS 667 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2pqf n GLN 668 N -1.43 1.04 -4.66 -0.41 6.02 -0.77 -4.21 117.38 112.96 2pqf n GLN 668 Ca 0.04 -0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.74 2pqf n GLN 668 Cb 0.12 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 29.75 2pqf n GLN 668 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pqf s VAL 669 N -2.00 1.13 -0.14 5.09 1.01 -0.81 -0.41 120.40 124.27 2pqf s VAL 669 Ca 0.46 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2pqf s VAL 669 Cb 0.21 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2pqf s VAL 669 CO 0.35 0.32 -0.16 -0.47 0.00 0.00 0.00 175.10 175.15 2pqf s TYR 670 N -0.30 2.25 -1.22 5.22 6.14 -0.10 -4.89 117.35 124.45 2pqf s TYR 670 Ca 0.05 -1.23 -0.20 0.00 0.64 0.00 0.00 57.07 56.32 2pqf s TYR 670 Cb -0.06 -1.62 0.01 0.00 0.42 0.00 0.00 41.96 40.71 2pqf s TYR 670 CO -0.00 -0.65 1.79 -1.25 0.64 0.00 0.00 175.55 176.07 2pqf s PRO 671 N 1.31 3.39 0.01 4.97 0.04 -1.26 -1.15 135.00 142.31 2pqf s PRO 671 Ca 0.02 -1.56 -0.18 0.00 0.04 0.00 0.00 61.00 59.32 2pqf s PRO 671 Cb -0.13 -5.40 -0.28 0.00 0.04 0.00 0.00 34.50 28.73 2pqf s PRO 671 CO -0.09 -2.87 1.05 1.49 0.04 0.00 0.00 177.00 176.62 2pqf h GLU 672 N 8.68 0.47 -5.06 4.56 4.81 -1.85 -3.42 114.58 122.77 2pqf h GLU 672 Ca 0.33 -0.62 -0.44 0.00 -0.13 0.00 0.00 59.36 58.50 2pqf h GLU 672 Cb 0.91 0.20 -0.28 0.00 0.63 0.00 0.00 28.75 30.21 2pqf h GLU 672 CO 1.37 1.26 -0.80 0.71 -0.73 0.00 0.00 179.01 180.82 2pqf s TYR 673 N -2.92 1.07 -0.25 0.92 1.51 -0.64 -1.39 117.35 115.65 2pqf s TYR 673 Ca -0.12 -0.22 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 2pqf s TYR 673 Cb 0.04 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 2pqf s TYR 673 CO 0.87 -0.01 0.08 0.08 -1.11 0.00 0.00 175.55 175.46 2pqf s VAL 674 N -0.36 4.43 -0.28 0.71 1.01 -0.24 -1.35 120.40 124.33 2pqf s VAL 674 Ca 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2pqf s VAL 674 Cb -0.05 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2pqf s VAL 674 CO -0.00 0.34 0.09 -0.63 0.00 0.00 0.00 175.10 174.89 2pqf s ILE 675 N 1.56 4.14 -0.22 2.22 1.01 -1.26 -0.61 121.20 128.04 2pqf s ILE 675 Ca 0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 2pqf s ILE 675 Cb -0.15 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 2pqf s ILE 675 CO 0.04 0.16 0.17 -1.58 0.00 0.00 0.00 174.94 173.73 2pqf s GLN 676 N 1.55 4.12 0.08 2.79 0.74 0.07 -4.30 119.66 124.71 2pqf s GLN 676 Ca 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 2pqf s GLN 676 Cb -0.16 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2pqf s GLN 676 CO 0.03 0.13 0.03 1.52 -0.55 0.00 0.00 175.29 176.45 2pqf s TYR 677 N 0.84 0.59 0.07 1.67 -0.85 -0.47 -0.91 117.35 118.30 2pqf s TYR 677 Ca 0.09 -1.07 0.08 0.00 -0.52 0.00 0.00 57.07 55.65 2pqf s TYR 677 Cb -0.13 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 2pqf s TYR 677 CO 0.03 -0.45 -0.22 -0.08 -1.52 0.00 0.00 175.55 173.31 2pqf s THR 678 N -3.96 1.81 -2.43 -3.49 -1.32 0.24 0.16 115.64 106.66 2pqf s THR 678 Ca 0.12 -1.38 0.24 0.00 -1.21 0.00 0.00 61.69 59.46 2pqf s THR 678 Cb 0.07 -1.59 0.48 0.00 -1.51 0.00 0.00 72.50 69.95 2pqf s THR 678 CO -0.06 0.14 1.60 1.07 -2.21 0.00 0.00 174.62 175.16 2pqf n THR 679 N 1.53 0.13 0.89 5.08 5.66 -0.66 -1.64 114.28 125.26 2pqf n THR 679 Ca -0.18 -0.34 0.11 0.00 -3.05 0.00 0.00 64.05 60.59 2pqf n THR 679 Cb 0.53 0.53 0.09 0.00 -1.55 0.00 0.00 70.33 69.93 2pqf n THR 679 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48