#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 0.67 3.09 0.55 0.00 -1.26 -4.94 105.19 103.30 2pqf n GLY 497 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.76 0.45 0.08 1.61 -0.12 -1.26 -4.29 117.98 111.68 2pqf s PHE 498 Ca 0.00 -0.95 0.05 0.00 -0.05 0.00 0.00 56.93 55.99 2pqf s PHE 498 Cb 0.00 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 2pqf s PHE 498 CO 0.00 -0.38 -0.15 -0.65 -0.05 0.00 0.00 175.22 173.99 2pqf s GLN 499 N -3.63 0.88 -0.23 1.99 1.11 -0.39 -5.00 119.66 114.38 2pqf s GLN 499 Ca 0.04 -1.03 -0.03 0.00 0.01 0.00 0.00 55.36 54.36 2pqf s GLN 499 Cb 0.06 -0.88 0.01 0.00 -1.01 0.00 0.00 33.01 31.18 2pqf s GLN 499 CO -0.09 0.19 -0.05 0.15 0.01 0.00 0.00 175.29 175.50 2pqf s LYS 500 N -1.94 3.13 -0.23 2.91 1.02 -1.26 -1.40 119.74 121.98 2pqf s LYS 500 Ca 0.01 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.16 2pqf s LYS 500 Cb -0.09 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 2pqf s LYS 500 CO 0.02 -0.29 0.01 0.42 -0.92 0.00 0.00 175.35 174.59 2pqf s ILE 501 N 1.41 3.86 -0.01 2.17 -1.09 -0.47 -4.89 121.20 122.18 2pqf s ILE 501 Ca 0.03 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 57.82 2pqf s ILE 501 Cb -0.15 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 2pqf s ILE 501 CO -0.04 0.39 1.03 -0.89 -1.23 0.00 0.00 174.94 174.20 2pqf s THR 502 N 1.44 4.68 0.11 2.92 2.01 -1.26 0.01 115.64 125.55 2pqf s THR 502 Ca 0.05 1.93 -0.05 0.00 0.31 0.00 0.00 61.69 63.93 2pqf s THR 502 Cb -0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2pqf s THR 502 CO 0.00 0.12 0.36 -0.76 -0.69 0.00 0.00 174.62 173.65 2pqf s LEU 503 N 1.22 4.30 0.28 4.42 1.43 -0.70 -4.95 118.68 124.68 2pqf s LEU 503 Ca 0.53 0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 2pqf s LEU 503 Cb -0.22 -3.17 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 2pqf s LEU 503 CO 0.27 0.10 1.28 -0.55 0.23 0.00 0.00 176.35 177.68 2pqf s SER 504 N -2.25 6.88 0.35 2.29 0.15 -1.26 -4.78 113.70 115.08 2pqf s SER 504 Ca 0.38 2.54 0.27 0.00 0.70 0.00 0.00 55.95 59.84 2pqf s SER 504 Cb -0.13 -2.63 1.06 0.00 -1.71 0.00 0.00 66.02 62.61 2pqf s SER 504 CO 0.23 -0.48 1.80 0.77 1.20 0.00 0.00 173.24 176.76 2pqf h SER 505 N 4.11 0.00 -0.03 5.45 4.64 -1.97 -0.57 113.55 125.17 2pqf h SER 505 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2pqf h SER 505 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2pqf h SER 505 CO 0.70 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 2pqf n SER 506 N -2.55 0.92 -4.77 4.97 3.41 -1.26 -4.65 113.62 109.70 2pqf n SER 506 Ca 0.02 -1.38 -0.38 0.00 -0.26 0.00 0.00 58.87 56.87 2pqf n SER 506 Cb 0.29 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 2pqf n SER 506 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2pqf s SER 507 N -1.88 6.24 0.25 4.04 0.01 -0.22 -4.96 113.70 117.18 2pqf s SER 507 Ca 0.39 2.40 -0.04 0.00 1.31 0.00 0.00 55.95 60.01 2pqf s SER 507 Cb 0.20 -2.61 0.29 0.00 0.21 0.00 0.00 66.02 64.11 2pqf s SER 507 CO 0.32 -0.88 1.78 -0.08 0.41 0.00 0.00 173.24 174.79 2pqf h GLU 508 N 2.28 0.93 -0.58 12.44 4.81 -1.91 -2.24 114.58 130.31 2pqf h GLU 508 Ca -0.49 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.45 2pqf h GLU 508 Cb 1.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2pqf h GLU 508 CO 0.61 0.84 0.05 1.49 -0.73 0.00 0.00 179.01 181.27 2pqf h GLU 509 N 0.89 0.96 0.18 1.92 4.81 -1.92 -2.52 114.58 118.89 2pqf h GLU 509 Ca 0.19 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2pqf h GLU 509 Cb 0.35 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2pqf h GLU 509 CO 0.00 0.92 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.19 2pqf h TYR 510 N 0.89 -0.23 -0.54 0.92 3.20 -1.77 -3.17 116.97 116.29 2pqf h TYR 510 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2pqf h TYR 510 Cb 0.46 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2pqf h TYR 510 CO 0.03 -0.02 0.35 1.96 -1.64 0.00 0.00 178.16 178.84 2pqf h GLN 511 N -0.40 0.71 -0.65 1.82 4.20 -1.33 -0.50 115.11 118.95 2pqf h GLN 511 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2pqf h GLN 511 Cb 0.31 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2pqf h GLN 511 CO 0.04 0.47 0.38 0.87 -0.67 0.00 0.00 178.83 179.92 2pqf h LYS 512 N 0.73 0.90 -0.38 1.46 1.57 -1.51 0.88 116.57 120.22 2pqf h LYS 512 Ca 0.20 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2pqf h LYS 512 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2pqf h LYS 512 CO -0.04 0.66 0.11 0.28 -0.57 0.00 0.00 179.45 179.88 2pqf h VAL 513 N 0.89 1.22 -0.30 0.50 2.07 -1.37 -3.07 116.25 116.18 2pqf h VAL 513 Ca 0.23 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2pqf h VAL 513 Cb 0.01 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2pqf h VAL 513 CO -0.04 0.25 0.11 -0.25 0.02 0.00 0.00 177.57 177.66 2pqf h TRP 514 N 0.47 0.48 -0.60 1.57 7.01 -0.96 -2.37 115.95 121.54 2pqf h TRP 514 Ca 0.12 -0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.16 2pqf h TRP 514 Cb 0.28 -0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.13 2pqf h TRP 514 CO 0.01 0.48 0.24 -0.91 -2.79 0.00 0.00 178.44 175.47 2pqf h ASN 515 N 0.34 0.26 -0.49 2.65 2.35 -0.89 0.29 115.58 120.08 2pqf h ASN 515 Ca 0.10 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2pqf h ASN 515 Cb 0.22 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2pqf h ASN 515 CO -0.01 0.16 0.21 -0.07 -1.65 0.00 0.00 177.43 176.08 2pqf h LEU 516 N 0.43 0.66 0.65 1.61 3.38 -1.39 -2.37 115.31 118.29 2pqf h LEU 516 Ca 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2pqf h LEU 516 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pqf h LEU 516 CO -0.28 0.63 -0.39 0.15 0.09 0.00 0.00 178.44 178.64 2pqf h PHE 517 N 0.65 -1.03 0.00 1.13 3.57 -1.01 -3.15 116.94 117.09 2pqf h PHE 517 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2pqf h PHE 517 Cb 0.17 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2pqf h PHE 517 CO 0.00 -0.59 0.00 -0.97 -2.23 0.00 0.00 178.31 174.52 2pqf h ASN 518 N -0.98 0.00 -0.70 0.41 -0.73 -0.36 -2.62 115.58 110.61 2pqf h ASN 518 Ca -0.08 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.10 2pqf h ASN 518 Cb 0.79 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.34 2pqf h ASN 518 CO 0.09 0.00 0.46 0.03 -0.37 0.00 0.00 177.43 177.64 2pqf h ARG 519 N 0.00 0.89 0.00 6.67 3.08 -1.38 -3.15 114.38 120.49 2pqf h ARG 519 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2pqf h ARG 519 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2pqf h ARG 519 CO 0.00 0.59 0.00 0.25 -1.07 0.00 0.00 179.97 179.74 2pqf n THR 520 N -4.44 0.00 -2.76 2.04 -2.24 -1.01 -4.80 114.28 101.07 2pqf n THR 520 Ca 0.08 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 2pqf n THR 520 Cb 0.06 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.30 2.48 0.00 3.22 4.77 -1.04 -4.32 117.00 121.81 2pqf n LEU 521 Ca 0.00 -4.58 0.10 0.00 -0.03 0.00 0.00 56.01 51.50 2pqf n LEU 521 Cb 0.04 0.15 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 2pqf n LEU 521 CO 0.00 1.97 0.81 -0.81 -1.33 0.00 0.00 177.39 178.04 2pqf n PRO 522 N -0.12 0.58 -0.02 3.23 -0.04 -1.19 -2.90 135.00 134.54 2pqf n PRO 522 Ca 0.22 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2pqf n PRO 522 Cb 0.70 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 2pqf n PRO 522 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2pqf n PHE 523 N -1.06 0.06 -3.40 0.54 1.16 -1.26 -4.93 117.46 108.57 2pqf n PHE 523 Ca 0.15 -0.05 -0.19 0.00 -1.87 0.00 0.00 57.45 55.49 2pqf n PHE 523 Cb 0.09 -0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.95 2pqf n PHE 523 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2pqf s TYR 524 N -1.23 2.93 -0.18 2.97 2.02 -1.14 -4.97 117.35 117.75 2pqf s TYR 524 Ca 0.19 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2pqf s TYR 524 Cb 0.13 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 2pqf s TYR 524 CO 0.19 -0.11 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.85 2pqf s PHE 525 N -2.29 2.52 -0.14 2.71 0.08 -0.73 -4.97 117.98 115.16 2pqf s PHE 525 Ca 0.48 -1.53 -0.29 0.00 0.12 0.00 0.00 56.93 55.70 2pqf s PHE 525 Cb -0.08 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2pqf s PHE 525 CO 0.30 -0.75 1.12 0.08 -0.10 0.00 0.00 175.22 175.87 2pqf s VAL 526 N 1.37 4.52 -0.19 -0.44 1.01 -1.26 -0.41 120.40 125.00 2pqf s VAL 526 Ca 0.03 1.82 0.11 0.00 0.00 0.00 0.00 61.98 63.93 2pqf s VAL 526 Cb -0.14 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 2pqf s VAL 526 CO -0.11 -0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.02 2pqf n GLN 527 N 5.74 0.68 -3.62 2.72 6.02 0.68 -4.96 117.38 124.64 2pqf n GLN 527 Ca 0.11 0.10 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 2pqf n GLN 527 Cb 0.47 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 2pqf n GLN 527 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2pqf s LYS 528 N -2.52 0.87 -0.08 -1.09 2.20 -0.50 -4.99 119.74 113.62 2pqf s LYS 528 Ca -0.17 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2pqf s LYS 528 Cb 0.07 0.41 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 2pqf s LYS 528 CO 0.76 -0.23 -0.01 0.42 -0.36 0.00 0.00 175.35 175.93 2pqf s ILE 529 N -0.83 0.47 -0.09 5.43 1.01 -1.26 -0.28 121.20 125.65 2pqf s ILE 529 Ca -0.09 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2pqf s ILE 529 Cb -0.02 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2pqf s ILE 529 CO 0.06 0.25 -0.13 -1.61 0.00 0.00 0.00 174.94 173.51 2pqf s GLU 530 N 1.93 2.94 -0.15 2.79 2.02 -0.60 -1.72 118.70 125.91 2pqf s GLU 530 Ca 0.05 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 54.09 2pqf s GLU 530 Cb -0.13 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 2pqf s GLU 530 CO -0.06 0.43 0.88 0.50 0.02 0.00 0.00 175.26 177.04 2pqf s ARG 531 N -0.23 4.34 -0.13 1.61 3.52 0.10 -1.43 118.95 126.73 2pqf s ARG 531 Ca 0.01 1.13 -0.22 0.00 -0.13 0.00 0.00 55.73 56.52 2pqf s ARG 531 Cb -0.13 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2pqf s ARG 531 CO 0.03 -0.32 0.66 0.08 -0.81 0.00 0.00 175.30 174.94 2pqf s VAL 532 N 2.09 5.04 -0.44 7.11 1.01 0.23 -1.37 120.40 134.07 2pqf s VAL 532 Ca 0.41 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.74 2pqf s VAL 532 Cb -0.17 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.34 2pqf s VAL 532 CO 0.14 0.19 0.17 -1.10 0.00 0.00 0.00 175.10 174.49 2pqf s GLN 533 N 1.30 1.76 -0.25 2.72 -0.21 -0.49 -4.80 119.66 119.69 2pqf s GLN 533 Ca 0.33 -2.30 0.02 0.00 0.02 0.00 0.00 55.36 53.44 2pqf s GLN 533 Cb -0.17 -3.27 0.06 0.00 1.00 0.00 0.00 33.01 30.63 2pqf s GLN 533 CO 0.14 -1.03 -0.11 1.21 -2.12 0.00 0.00 175.29 173.37 2pqf s ASN 534 N 0.23 4.21 0.14 5.90 3.84 -1.26 -1.27 114.94 126.74 2pqf s ASN 534 Ca 0.14 -1.28 -0.11 0.00 0.21 0.00 0.00 52.86 51.82 2pqf s ASN 534 Cb -0.23 -1.48 -0.02 0.00 -0.55 0.00 0.00 41.25 38.97 2pqf s ASN 534 CO -0.04 -0.18 1.51 0.25 -2.79 0.00 0.00 177.10 175.86 2pqf h LEU 535 N 7.82 0.97 -0.93 3.21 5.85 -1.97 -2.07 115.31 128.19 2pqf h LEU 535 Ca -0.21 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 2pqf h LEU 535 Cb 1.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2pqf h LEU 535 CO 0.47 1.18 0.32 0.00 -0.34 0.00 0.00 178.44 180.06 2pqf h ALA 536 N 0.82 1.15 -0.07 1.25 0.00 -1.96 -1.09 119.26 119.36 2pqf h ALA 536 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2pqf h ALA 536 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2pqf h ALA 536 CO 0.07 0.62 -0.69 -0.07 0.00 0.00 0.00 179.25 179.18 2pqf h LEU 537 N 1.08 0.39 -0.12 0.00 3.38 -1.91 -2.87 115.31 115.26 2pqf h LEU 537 Ca 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2pqf h LEU 537 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pqf h LEU 537 CO -0.03 0.96 0.01 -0.25 0.09 0.00 0.00 178.44 179.22 2pqf h TRP 538 N 0.23 0.22 -0.29 1.13 2.91 -1.18 -2.59 115.95 116.38 2pqf h TRP 538 Ca -0.02 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.93 2pqf h TRP 538 Cb 1.24 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 2pqf h TRP 538 CO 0.03 0.43 0.06 0.93 -1.03 0.00 0.00 178.44 178.86 2pqf h GLU 539 N -0.05 0.47 0.00 2.65 5.08 -1.23 0.16 114.58 121.66 2pqf h GLU 539 Ca 0.03 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2pqf h GLU 539 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2pqf h GLU 539 CO 0.00 0.56 -0.23 -0.24 -1.00 0.00 0.00 179.01 178.10 2pqf h VAL 540 N 0.30 0.66 0.00 3.13 3.04 -1.61 0.09 116.25 121.87 2pqf h VAL 540 Ca 0.09 -1.02 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2pqf h VAL 540 Cb 0.30 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2pqf h VAL 540 CO 0.00 0.22 -0.00 0.22 -1.01 0.00 0.00 177.57 177.00 2pqf h TYR 541 N 0.00 -0.00 -0.86 3.17 3.20 -1.10 -2.20 116.97 119.18 2pqf h TYR 541 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2pqf h TYR 541 Cb 0.64 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2pqf h TYR 541 CO 0.00 0.59 0.48 1.96 -1.64 0.00 0.00 178.16 179.55 2pqf h GLN 542 N -0.60 1.18 -0.44 1.82 1.08 -0.78 -1.31 115.11 116.06 2pqf h GLN 542 Ca -0.00 -0.13 0.07 0.00 -1.45 0.00 0.00 58.65 57.14 2pqf h GLN 542 Cb 0.59 -0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 2pqf h GLN 542 CO 0.00 0.85 0.10 2.35 -0.95 0.00 0.00 178.83 181.18 2pqf h TRP 543 N 1.19 0.16 -0.36 2.96 7.01 -1.06 -1.72 115.95 124.14 2pqf h TRP 543 Ca 0.30 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.22 2pqf h TRP 543 Cb 0.00 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2pqf h TRP 543 CO 0.01 0.02 -0.22 0.37 -2.79 0.00 0.00 178.44 175.82 2pqf h GLN 544 N 0.23 0.69 -0.39 2.65 5.75 -0.86 -0.62 115.11 122.57 2pqf h GLN 544 Ca 0.22 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2pqf h GLN 544 Cb 0.26 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2pqf h GLN 544 CO -0.27 0.86 0.23 -0.22 -2.65 0.00 0.00 178.83 176.77 2pqf h LYS 545 N 0.61 0.53 -0.43 1.69 3.64 -1.03 -3.05 116.57 118.53 2pqf h LYS 545 Ca 0.09 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2pqf h LYS 545 Cb 0.70 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2pqf h LYS 545 CO 0.05 0.41 0.23 0.78 -2.27 0.00 0.00 179.45 178.65 2pqf h GLY 546 N 0.50 0.59 -1.56 5.01 0.00 -0.84 -0.86 103.07 105.92 2pqf h GLY 546 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2pqf h GLY 546 CO -0.02 0.13 0.00 -1.06 0.00 0.00 0.00 176.54 175.59 2pqf n GLN 547 N -4.88 0.04 0.00 4.80 1.13 -0.28 -2.20 117.38 115.98 2pqf n GLN 547 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2pqf n GLN 547 Cb 0.09 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 0.76 0.00 0.33 -1.09 6.02 -0.33 -3.27 117.38 119.80 2pqf n GLN 549 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.21 2pqf n GLN 549 Cb 0.02 0.00 1.17 0.00 1.02 0.00 0.00 30.24 32.44 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 0.00 -0.21 -1.09 1.57 -1.72 -2.67 116.57 112.45 2pqf h LYS 550 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pqf h LYS 550 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pqf h LYS 550 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2pqf n GLN 551 N -3.06 2.70 -0.04 3.15 6.02 -1.20 -4.62 117.38 120.32 2pqf n GLN 551 Ca -0.03 -2.27 0.11 0.00 -0.01 0.00 0.00 57.00 54.80 2pqf n GLN 551 Cb 0.09 -1.43 0.11 0.00 1.02 0.00 0.00 30.24 30.03 2pqf n GLN 551 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pqf n ASN 552 N -0.25 2.93 -2.14 1.08 5.15 -1.00 -4.96 115.26 116.06 2pqf n ASN 552 Ca 0.13 -1.92 -0.15 0.00 -0.60 0.00 0.00 54.58 52.04 2pqf n ASN 552 Cb 0.57 -0.05 0.02 0.00 -0.53 0.00 0.00 39.78 39.79 2pqf n ASN 552 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pqf n GLY 553 N 1.26 -0.14 3.05 8.20 0.00 -1.26 -2.64 105.19 113.65 2pqf n GLY 553 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.28 1.96 3.76 -0.02 0.00 -1.26 -5.04 105.19 103.31 2pqf n GLY 554 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2pqf n GLY 554 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pqf s LYS 555 N -0.01 4.45 0.47 1.61 2.20 -1.08 -5.02 119.74 122.35 2pqf s LYS 555 Ca 0.00 1.99 -0.25 0.00 -0.36 0.00 0.00 55.97 57.35 2pqf s LYS 555 Cb 0.00 -3.08 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 2pqf s LYS 555 CO 0.00 -0.03 1.42 0.00 -0.36 0.00 0.00 175.35 176.38 2pqf n ALA 556 N 0.88 1.96 -2.51 3.13 0.00 -1.26 -4.84 120.51 117.87 2pqf n ALA 556 Ca -0.00 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2pqf n ALA 556 Cb 0.44 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 2pqf n ALA 556 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pqf s VAL 557 N -1.21 4.43 -0.12 0.00 1.01 -1.26 -4.98 120.40 118.27 2pqf s VAL 557 Ca 0.63 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 64.03 2pqf s VAL 557 Cb -0.44 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 2pqf s VAL 557 CO 0.56 -0.14 2.08 -0.67 0.00 0.00 0.00 175.10 176.93 2pqf n ASP 558 N 6.38 3.50 -3.97 3.32 -0.08 -1.26 -4.89 116.55 119.54 2pqf n ASP 558 Ca 0.13 0.59 -0.24 0.00 -1.51 0.00 0.00 54.79 53.77 2pqf n ASP 558 Cb 0.45 -1.49 -0.17 0.00 2.34 0.00 0.00 41.12 42.26 2pqf n ASP 558 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2pqf s GLU 559 N 5.31 1.44 0.09 -0.67 2.12 -1.26 -1.02 118.70 124.71 2pqf s GLU 559 Ca 0.96 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 56.02 2pqf s GLU 559 Cb -0.48 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 2pqf s GLU 559 CO 0.42 -0.04 -0.10 1.03 -0.54 0.00 0.00 175.26 176.03 2pqf s ARG 560 N 0.86 0.83 -0.44 4.30 0.52 -0.21 -4.95 118.95 119.86 2pqf s ARG 560 Ca -0.11 -1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 53.78 2pqf s ARG 560 Cb -0.15 -0.48 0.04 0.00 0.52 0.00 0.00 34.95 34.87 2pqf s ARG 560 CO 0.01 0.07 0.40 -0.65 0.02 0.00 0.00 175.30 175.15 2pqf s GLN 561 N -2.83 3.02 0.07 3.54 -0.21 -1.26 -1.11 119.66 120.88 2pqf s GLN 561 Ca 0.05 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.48 2pqf s GLN 561 Cb -0.02 -4.03 -0.03 0.00 1.00 0.00 0.00 33.01 29.92 2pqf s GLN 561 CO -0.00 -0.90 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.55 2pqf s LEU 562 N 1.89 2.23 0.13 2.90 1.43 -0.14 -4.92 118.68 122.20 2pqf s LEU 562 Ca 0.08 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 2pqf s LEU 562 Cb -0.20 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 2pqf s LEU 562 CO 0.10 0.09 0.68 -0.36 0.23 0.00 0.00 176.35 177.10 2pqf s PHE 563 N -0.99 3.85 -0.25 0.29 0.08 0.36 -0.48 117.98 120.84 2pqf s PHE 563 Ca 0.06 1.46 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 2pqf s PHE 563 Cb -0.09 -2.64 0.08 0.00 -0.57 0.00 0.00 43.02 39.80 2pqf s PHE 563 CO 0.03 0.54 0.07 -1.58 -0.10 0.00 0.00 175.22 174.18 2pqf s HIS 564 N -1.15 1.23 -0.08 0.36 5.65 0.24 -0.96 115.29 120.58 2pqf s HIS 564 Ca 0.33 -1.21 -0.30 0.00 0.25 0.00 0.00 55.06 54.13 2pqf s HIS 564 Cb -0.21 -1.28 -0.02 0.00 -1.18 0.00 0.00 32.58 29.88 2pqf s HIS 564 CO 0.23 -0.74 1.14 0.20 -0.65 0.00 0.00 174.74 174.92 2pqf s GLY 565 N 1.79 2.15 0.32 1.59 0.00 -1.26 -0.42 107.32 111.48 2pqf s GLY 565 Ca 0.04 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.32 2pqf s GLY 565 CO -0.18 2.13 0.11 -1.08 0.00 0.00 0.00 173.10 174.08 2pqf s THR 566 N 2.23 0.69 0.60 0.90 -1.32 -1.23 -4.28 115.64 113.24 2pqf s THR 566 Ca 0.53 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.85 2pqf s THR 566 Cb -0.22 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 2pqf s THR 566 CO 0.20 0.00 1.08 -0.44 -2.21 0.00 0.00 174.62 173.25 2pqf s SER 567 N -3.44 5.58 0.32 8.08 0.01 -1.26 -4.03 113.70 118.96 2pqf s SER 567 Ca 0.34 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2pqf s SER 567 Cb 0.06 -2.55 0.52 0.00 0.21 0.00 0.00 66.02 64.27 2pqf s SER 567 CO 0.15 -1.31 1.95 0.00 0.41 0.00 0.00 173.24 174.45 2pqf h ALA 568 N 0.48 1.42 0.00 1.44 0.00 -1.90 -2.14 119.26 118.56 2pqf h ALA 568 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2pqf h ALA 568 Cb 1.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pqf h ALA 568 CO 0.56 0.49 0.00 -0.84 0.00 0.00 0.00 179.25 179.46 2pqf h ILE 569 N 0.92 0.00 -0.01 0.00 3.07 -1.96 -2.55 117.51 116.98 2pqf h ILE 569 Ca 0.24 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.55 2pqf h ILE 569 Cb -0.01 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 2pqf h ILE 569 CO -0.04 0.00 -0.42 0.49 -1.05 0.00 0.00 178.15 177.13 2pqf n PHE 570 N -2.52 0.00 0.14 0.16 3.72 -0.81 -4.61 117.46 113.54 2pqf n PHE 570 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2pqf n PHE 570 Cb 0.11 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 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 0.92 0.63 0.00 -4.37 2.07 -1.55 -2.14 116.25 111.80 2pqf h VAL 571 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2pqf h VAL 571 Cb 0.54 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2pqf h VAL 571 CO 0.00 0.00 -0.37 0.44 0.02 0.00 0.00 177.57 177.66 2pqf h ASP 572 N -0.38 0.00 -0.49 0.57 3.32 -1.81 -1.44 116.42 116.18 2pqf h ASP 572 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2pqf h ASP 572 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2pqf h ASP 572 CO -0.03 0.37 -0.04 0.00 -1.72 0.00 0.00 179.24 177.81 2pqf h ALA 573 N 1.63 0.66 0.23 3.45 0.00 -1.78 -2.05 119.26 121.41 2pqf h ALA 573 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2pqf h ALA 573 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pqf h ALA 573 CO 0.05 0.51 -0.11 0.82 0.00 0.00 0.00 179.25 180.52 2pqf h ILE 574 N 0.75 0.83 -0.95 0.00 2.04 -1.14 0.11 117.51 119.16 2pqf h ILE 574 Ca 0.13 -0.66 0.25 0.00 1.00 0.00 0.00 64.86 65.58 2pqf h ILE 574 Cb 0.58 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 2pqf h ILE 574 CO 0.03 0.14 0.65 0.00 0.00 0.00 0.00 178.15 178.97 2pqf n GLN 576 N -4.42 0.74 0.00 0.00 7.27 -0.77 -4.65 117.38 115.55 2pqf n GLN 576 Ca 0.21 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.55 2pqf n GLN 576 Cb 0.87 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.80 2pqf n GLN 576 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2pqf n GLN 577 N -3.41 1.25 -0.86 3.69 6.02 0.39 -4.95 117.38 119.50 2pqf n GLN 577 Ca -0.29 -0.94 0.11 0.00 -0.01 0.00 0.00 57.00 55.87 2pqf n GLN 577 Cb 1.05 -0.85 -0.04 0.00 1.02 0.00 0.00 30.24 31.42 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 -0.24 -5.07 -4.76 1.08 2.85 0.14 -4.89 115.26 104.36 2pqf n ASN 578 Ca 0.00 0.68 -0.39 0.00 -0.11 0.00 0.00 54.58 54.76 2pqf n ASN 578 Cb 0.25 -2.83 0.02 0.00 1.24 0.00 0.00 39.78 38.46 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 -2.98 2.47 -0.19 1.20 0.08 -1.26 -4.37 117.98 112.92 2pqf s PHE 579 Ca 0.00 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 2pqf s PHE 579 Cb 0.00 -3.79 0.09 0.00 -0.57 0.00 0.00 43.02 38.75 2pqf s PHE 579 CO 0.00 -2.68 0.20 0.34 -0.10 0.00 0.00 175.22 172.98 2pqf s ASP 580 N -0.81 1.51 0.14 1.36 2.15 -1.26 -4.97 116.67 114.80 2pqf s ASP 580 Ca 0.65 -0.27 0.16 0.00 0.43 0.00 0.00 52.55 53.52 2pqf s ASP 580 Cb -0.40 0.28 0.71 0.00 -0.30 0.00 0.00 42.92 43.21 2pqf s ASP 580 CO 0.50 -0.33 1.48 -2.67 -0.17 0.00 0.00 175.17 173.98 2pqf n TRP 581 N 5.31 0.39 0.47 -5.34 4.27 -1.26 -3.19 117.44 118.09 2pqf n TRP 581 Ca -0.06 0.17 0.12 0.00 -3.89 0.00 0.00 57.50 53.85 2pqf n TRP 581 Cb 0.49 -0.78 0.13 0.00 -1.36 0.00 0.00 31.31 29.79 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 -0.06 -2.67 3.08 -1.95 -1.15 114.38 111.63 2pqf h ARG 582 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2pqf h ARG 582 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2pqf h ARG 582 CO 0.00 0.00 -0.15 0.28 -1.07 0.00 0.00 179.97 179.03 2pqf h VAL 583 N 0.00 0.00 0.00 2.04 2.07 -2.00 -3.21 116.25 115.15 2pqf h VAL 583 Ca 0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 2pqf h VAL 583 Cb 0.80 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2pqf h VAL 583 CO 0.00 0.00 -1.71 0.00 0.02 0.00 0.00 177.57 175.88 2pqf n GLY 585 N 1.56 -1.77 1.49 0.00 0.00 -0.43 -5.18 105.19 100.85 2pqf n GLY 585 Ca -0.17 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2pqf n GLY 585 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pqf n VAL 586 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.88 118.33 114.04 2pqf n VAL 586 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2pqf n VAL 586 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 2pqf n VAL 586 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2pqf n THR 589 N -3.72 0.00 -4.03 3.34 5.66 -1.26 -5.19 114.28 109.07 2pqf n THR 589 Ca 0.04 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.89 2pqf n THR 589 Cb 0.19 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.82 2pqf n THR 589 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2pqf s SER 590 N 0.00 0.40 -0.13 1.09 0.15 -1.26 -4.96 113.70 109.00 2pqf s SER 590 Ca 0.00 -0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.74 2pqf s SER 590 Cb 0.00 -0.08 0.47 0.00 -1.71 0.00 0.00 66.02 64.71 2pqf s SER 590 CO 0.00 0.02 1.38 -1.22 1.20 0.00 0.00 173.24 174.62 2pqf n TYR 591 N 3.20 0.84 0.00 3.44 4.02 -1.26 -3.49 117.16 123.92 2pqf n TYR 591 Ca -0.15 -0.76 0.00 0.00 -0.01 0.00 0.00 57.90 56.98 2pqf n TYR 591 Cb 0.57 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 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 -0.14 3.29 3.26 2.72 0.00 -0.97 -2.09 105.19 111.26 2pqf n GLY 592 Ca 0.19 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.53 3.41 -2.78 1.61 5.02 -0.18 -4.91 118.16 118.80 2pqf n LYS 593 Ca 0.00 -3.66 -0.07 0.00 -2.02 0.00 0.00 58.31 52.56 2pqf n LYS 593 Cb 0.00 -3.05 -0.00 0.00 -0.02 0.00 0.00 35.03 31.95 2pqf n LYS 593 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqf n GLY 594 N 3.80 2.10 3.80 0.72 0.00 -1.26 -4.82 105.19 109.53 2pqf n GLY 594 Ca 0.39 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.20 7.10 0.01 1.61 0.01 -0.62 -4.78 113.70 114.82 2pqf s SER 595 Ca 0.13 1.77 0.06 0.00 1.31 0.00 0.00 55.95 59.22 2pqf s SER 595 Cb -0.01 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2pqf s SER 595 CO 0.10 -0.24 -0.17 -0.31 0.41 0.00 0.00 173.24 173.02 2pqf s TYR 596 N -1.91 2.59 0.04 2.43 1.51 -1.26 -0.61 117.35 120.14 2pqf s TYR 596 Ca 0.57 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2pqf s TYR 596 Cb -0.14 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2pqf s TYR 596 CO 0.18 0.20 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.74 2pqf s PHE 597 N -0.83 0.45 -0.02 2.71 0.40 -0.26 -4.77 117.98 115.65 2pqf s PHE 597 Ca 0.13 -0.92 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 2pqf s PHE 597 Cb -0.10 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.09 2pqf s PHE 597 CO 0.03 -0.33 -0.10 0.00 0.70 0.00 0.00 175.22 175.52 2pqf s ALA 598 N -3.27 0.94 0.16 5.36 0.00 -0.13 -1.83 121.76 123.00 2pqf s ALA 598 Ca 0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2pqf s ALA 598 Cb 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.91 2pqf s ALA 598 CO -0.08 0.17 1.77 -0.09 0.00 0.00 0.00 175.76 177.53 2pqf h ARG 599 N 6.28 0.37 -5.13 0.00 2.43 -1.49 0.10 114.38 116.96 2pqf h ARG 599 Ca -0.33 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.19 2pqf h ARG 599 Cb 1.17 -0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.47 2pqf h ARG 599 CO 0.49 0.25 -0.55 -0.51 -1.51 0.00 0.00 179.97 178.14 2pqf s ASP 600 N -5.43 5.77 0.30 -3.80 1.01 -1.26 -4.69 116.67 108.58 2pqf s ASP 600 Ca -0.13 0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.23 2pqf s ASP 600 Cb 0.13 -2.02 0.82 0.00 1.01 0.00 0.00 42.92 42.85 2pqf s ASP 600 CO 0.72 0.08 1.68 0.00 0.21 0.00 0.00 175.17 177.86 2pqf h ALA 601 N 7.37 1.53 -0.43 5.23 0.00 -1.84 -1.23 119.26 129.89 2pqf h ALA 601 Ca -0.38 0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2pqf h ALA 601 Cb 1.17 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2pqf h ALA 601 CO 0.66 -0.43 0.37 0.00 0.00 0.00 0.00 179.25 179.85 2pqf h ALA 602 N 1.77 2.26 0.06 0.00 0.00 -1.88 -1.68 119.26 119.78 2pqf h ALA 602 Ca 0.60 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.25 2pqf h ALA 602 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2pqf h ALA 602 CO -0.58 -0.59 -1.17 -0.92 0.00 0.00 0.00 179.25 175.99 2pqf h TYR 603 N 0.00 0.24 0.00 0.00 3.20 -1.59 -3.28 116.97 115.54 2pqf h TYR 603 Ca 0.21 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2pqf h TYR 603 Cb 0.95 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2pqf h TYR 603 CO 0.00 1.14 0.00 0.43 -1.64 0.00 0.00 178.16 178.09 2pqf n SER 604 N -3.42 0.65 0.06 -2.11 7.64 -0.66 -4.04 113.62 111.75 2pqf n SER 604 Ca -0.05 0.60 -0.11 0.00 1.01 0.00 0.00 58.87 60.32 2pqf n SER 604 Cb 0.99 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 2pqf n SER 604 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2pqf h HIS 605 N 0.00 -0.46 -1.40 1.43 -0.00 -1.54 -1.57 115.15 111.60 2pqf h HIS 605 Ca 0.00 0.01 0.41 0.00 -0.00 0.00 0.00 60.37 60.79 2pqf h HIS 605 Cb 0.55 0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 28.10 2pqf h HIS 605 CO 0.00 -0.26 0.99 1.25 -0.00 0.00 0.00 177.93 179.92 2pqf h HIS 606 N -0.29 0.10 -0.00 5.26 6.17 -1.80 0.14 115.15 124.73 2pqf h HIS 606 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 2pqf h HIS 606 Cb 0.36 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.26 2pqf h HIS 606 CO -0.22 -0.01 -0.56 0.66 0.71 0.00 0.00 177.93 178.51 2pqf n TYR 607 N -4.20 0.00 -3.18 5.26 4.02 -0.64 -4.56 117.16 113.87 2pqf n TYR 607 Ca 0.32 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.76 2pqf n TYR 607 Cb 1.44 -0.21 -0.00 0.00 -0.02 0.00 0.00 39.34 40.56 2pqf n TYR 607 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2pqf s SER 608 N -2.97 7.16 0.19 7.72 1.04 0.49 -3.52 113.70 123.81 2pqf s SER 608 Ca 0.11 -3.24 -0.30 0.00 0.48 0.00 0.00 55.95 53.00 2pqf s SER 608 Cb 0.17 -2.29 -0.09 0.00 0.10 0.00 0.00 66.02 63.92 2pqf s SER 608 CO 0.71 -0.51 1.30 -0.54 0.98 0.00 0.00 173.24 175.18 2pqf s LYS 609 N 0.05 4.39 0.06 4.02 1.02 -1.26 -4.73 119.74 123.29 2pqf s LYS 609 Ca 0.34 2.03 -0.05 0.00 0.02 0.00 0.00 55.97 58.31 2pqf s LYS 609 Cb -0.07 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2pqf s LYS 609 CO -0.05 -0.25 0.10 0.45 -0.92 0.00 0.00 175.35 174.67 2pqf s SER 610 N 0.40 0.24 0.00 2.83 0.15 -1.26 -4.44 113.70 111.63 2pqf s SER 610 Ca 0.57 -0.70 0.24 0.00 0.70 0.00 0.00 55.95 56.76 2pqf s SER 610 Cb -0.36 0.26 0.32 0.00 -1.71 0.00 0.00 66.02 64.53 2pqf s SER 610 CO 0.37 -0.62 1.29 0.47 1.20 0.00 0.00 173.24 175.95 2pqf n ASP 611 N 0.28 1.10 -1.21 5.45 8.00 -1.26 -4.96 116.55 123.95 2pqf n ASP 611 Ca -0.16 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2pqf n ASP 611 Cb 0.61 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 2pqf n ASP 611 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pqf n THR 612 N -0.91 0.00 1.18 -3.53 -2.24 -1.26 -5.04 114.28 102.48 2pqf n THR 612 Ca 0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2pqf n THR 612 Cb 0.37 -0.06 0.25 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.03 1.93 -3.43 -0.78 6.02 -1.26 -4.85 117.38 114.99 2pqf n GLN 613 Ca 0.00 -1.45 -0.38 0.00 -0.01 0.00 0.00 57.00 55.17 2pqf n GLN 613 Cb 0.00 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 2pqf n GLN 613 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pqf s THR 614 N -2.07 5.23 0.12 5.09 2.01 -1.26 -1.68 115.64 123.09 2pqf s THR 614 Ca 0.30 0.69 0.06 0.00 0.31 0.00 0.00 61.69 63.06 2pqf s THR 614 Cb 0.20 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2pqf s THR 614 CO 0.35 0.31 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.43 2pqf s HIS 615 N 0.95 1.46 0.35 4.92 3.76 0.02 -4.71 115.29 122.04 2pqf s HIS 615 Ca 0.19 -0.52 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 2pqf s HIS 615 Cb -0.14 -0.77 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 2pqf s HIS 615 CO 0.07 0.16 0.05 0.99 -0.85 0.00 0.00 174.74 175.16 2pqf s THR 616 N -1.97 1.35 -0.01 1.30 2.01 -1.26 -1.37 115.64 115.69 2pqf s THR 616 Ca 0.08 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.14 2pqf s THR 616 Cb -0.06 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 2pqf s THR 616 CO 0.03 0.00 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.42 2pqf s PHE 618 N -3.15 1.65 -0.28 4.92 0.08 0.44 -3.51 117.98 118.13 2pqf s PHE 618 Ca 0.35 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 2pqf s PHE 618 Cb 0.09 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 2pqf s PHE 618 CO 0.16 -0.02 0.26 -1.17 -0.10 0.00 0.00 175.22 174.34 2pqf s LEU 619 N -0.46 4.03 0.17 -0.37 2.96 -0.29 -0.59 118.68 124.14 2pqf s LEU 619 Ca 0.07 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 2pqf s LEU 619 Cb -0.07 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2pqf s LEU 619 CO -0.01 -0.10 -0.01 0.00 -1.32 0.00 0.00 176.35 174.91 2pqf s ALA 620 N 1.86 3.17 -0.31 5.97 0.00 0.36 -1.29 121.76 131.53 2pqf s ALA 620 Ca 0.10 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2pqf s ALA 620 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 2pqf s ALA 620 CO 0.11 0.48 0.49 0.50 0.00 0.00 0.00 175.76 177.34 2pqf s ARG 621 N -2.92 3.83 -0.09 0.00 3.52 0.69 -0.97 118.95 123.00 2pqf s ARG 621 Ca 0.27 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 2pqf s ARG 621 Cb -0.09 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 2pqf s ARG 621 CO 0.18 -0.49 -0.22 0.08 -0.81 0.00 0.00 175.30 174.04 2pqf s VAL 622 N 2.32 1.88 -0.90 7.11 1.01 -0.27 -0.24 120.40 131.32 2pqf s VAL 622 Ca 0.19 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2pqf s VAL 622 Cb -0.16 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.68 2pqf s VAL 622 CO 0.11 0.52 1.19 -0.76 0.00 0.00 0.00 175.10 176.16 2pqf s LEU 623 N 0.40 4.44 0.12 3.92 1.43 0.45 -1.04 118.68 128.40 2pqf s LEU 623 Ca -0.18 -1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 51.28 2pqf s LEU 623 Cb -0.18 -2.45 -0.14 0.00 0.03 0.00 0.00 46.19 43.45 2pqf s LEU 623 CO 0.08 -1.28 1.27 -0.37 0.23 0.00 0.00 176.35 176.27 2pqf h VAL 624 N 6.12 1.49 0.00 -1.59 -1.51 -1.64 -3.47 116.25 115.65 2pqf h VAL 624 Ca 0.07 -2.81 0.00 0.00 -1.23 0.00 0.00 66.70 62.73 2pqf h VAL 624 Cb 1.03 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.85 2pqf h VAL 624 CO 1.21 0.82 0.00 0.61 -1.23 0.00 0.00 177.57 178.98 2pqf n GLY 625 N 1.17 3.33 3.74 5.19 0.00 -0.19 -3.66 105.19 114.76 2pqf n GLY 625 Ca -0.06 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 3.79 0.11 1.61 0.41 -1.26 -4.52 118.70 118.85 2pqf s GLU 626 Ca 0.00 -0.25 0.06 0.00 -0.41 0.00 0.00 54.97 54.36 2pqf s GLU 626 Cb 0.00 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 2pqf s GLU 626 CO 0.00 0.47 -0.14 -0.59 -0.49 0.00 0.00 175.26 174.50 2pqf s PHE 627 N -0.15 1.38 0.16 1.61 -0.12 -1.26 -0.15 117.98 119.45 2pqf s PHE 627 Ca 0.09 -0.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 2pqf s PHE 627 Cb -0.12 -0.74 -0.05 0.00 -0.63 0.00 0.00 43.02 41.49 2pqf s PHE 627 CO 0.01 0.13 -0.00 0.54 -0.05 0.00 0.00 175.22 175.85 2pqf s VAL 628 N -1.93 0.63 0.28 -2.49 0.11 -1.14 -4.99 120.40 110.88 2pqf s VAL 628 Ca 0.07 -1.97 -0.29 0.00 -2.93 0.00 0.00 61.98 56.85 2pqf s VAL 628 Cb -0.06 -2.06 -0.10 0.00 -1.53 0.00 0.00 36.38 32.63 2pqf s VAL 628 CO 0.03 -0.52 1.38 -0.60 -3.33 0.00 0.00 175.10 172.05 2pqf s ARG 629 N -3.92 4.31 0.64 1.54 3.52 -1.26 -1.50 118.95 122.27 2pqf s ARG 629 Ca 0.22 2.26 -0.07 0.00 -0.13 0.00 0.00 55.73 58.01 2pqf s ARG 629 Cb 0.06 -3.10 0.14 0.00 -1.56 0.00 0.00 34.95 30.49 2pqf s ARG 629 CO 0.03 -0.32 0.87 0.41 -0.81 0.00 0.00 175.30 175.47 2pqf n GLY 630 N 1.62 -0.59 3.58 8.12 0.00 -0.47 -4.76 105.19 112.69 2pqf n GLY 630 Ca 0.04 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2pqf n GLY 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqf s ASN 631 N -4.28 -0.58 0.42 1.61 3.84 -0.89 -4.89 114.94 110.16 2pqf s ASN 631 Ca 0.52 0.87 0.12 0.00 0.21 0.00 0.00 52.86 54.57 2pqf s ASN 631 Cb -0.02 0.79 0.96 0.00 -0.55 0.00 0.00 41.25 42.43 2pqf s ASN 631 CO 0.36 -0.37 1.97 0.00 -2.79 0.00 0.00 177.10 176.27 2pqf h ALA 632 N 3.65 1.94 0.00 1.71 0.00 -1.82 -2.00 119.26 122.74 2pqf h ALA 632 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pqf h ALA 632 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pqf h ALA 632 CO 0.23 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.06 2pqf h SER 633 N 0.49 0.00 -3.17 0.00 4.64 -1.94 -3.41 113.55 110.17 2pqf h SER 633 Ca 0.29 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.09 2pqf h SER 633 Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2pqf h SER 633 CO -0.09 0.00 0.70 -0.36 -0.87 0.00 0.00 176.83 176.21 2pqf s PHE 634 N -3.35 3.24 -0.87 4.77 2.99 -0.79 -4.90 117.98 119.06 2pqf s PHE 634 Ca 0.05 1.06 0.12 0.00 0.00 0.00 0.00 56.93 58.16 2pqf s PHE 634 Cb 0.09 -3.65 -0.05 0.00 0.00 0.00 0.00 43.02 39.41 2pqf s PHE 634 CO 0.50 -2.19 0.62 1.33 -0.00 0.00 0.00 175.22 175.47 2pqf n VAL 635 N 3.37 0.00 -3.87 -0.44 0.24 -1.26 -1.02 118.33 115.35 2pqf n VAL 635 Ca 0.09 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.99 2pqf n VAL 635 Cb 0.42 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.77 0.90 0.42 7.34 0.52 -1.26 -4.88 118.95 120.22 2pqf s ARG 636 Ca 0.08 -0.99 -0.24 0.00 -0.52 0.00 0.00 55.73 54.05 2pqf s ARG 636 Cb 0.09 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.83 2pqf s ARG 636 CO 0.37 -0.30 1.17 -2.14 0.02 0.00 0.00 175.30 174.43 2pqf s PRO 637 N -3.88 3.96 0.94 3.54 0.02 -1.26 -5.02 135.00 133.30 2pqf s PRO 637 Ca 0.07 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 62.79 2pqf s PRO 637 Cb 0.05 -2.59 0.16 0.00 0.02 0.00 0.00 34.50 32.13 2pqf s PRO 637 CO -0.09 -0.39 1.10 -1.25 -0.33 0.00 0.00 177.00 176.04 2pqf s PRO 638 N -2.43 0.89 0.59 5.54 0.04 -1.26 -4.62 135.00 133.75 2pqf s PRO 638 Ca 0.59 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 2pqf s PRO 638 Cb -0.30 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2pqf s PRO 638 CO 0.37 -2.44 1.13 0.00 0.04 0.00 0.00 177.00 176.10 2pqf s ALA 639 N -3.01 2.61 1.05 8.56 0.00 -1.26 -1.95 121.76 127.76 2pqf s ALA 639 Ca 0.64 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 2pqf s ALA 639 Cb -0.18 -3.35 0.22 0.00 0.00 0.00 0.00 23.12 19.82 2pqf s ALA 639 CO 0.57 -0.96 1.21 0.15 0.00 0.00 0.00 175.76 176.72 2pqf s LYS 640 N -3.57 0.01 0.00 0.00 1.02 -0.92 -4.79 119.74 111.49 2pqf s LYS 640 Ca 0.71 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.54 2pqf s LYS 640 Cb -0.23 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2pqf s LYS 640 CO 0.32 -2.88 1.50 -0.85 -0.92 0.00 0.00 175.35 172.52 2pqf n GLU 641 N -4.15 0.80 0.00 1.68 0.28 -1.26 -4.61 120.64 113.38 2pqf n GLU 641 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2pqf n GLU 641 Cb 0.59 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.37 2pqf n GLU 641 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pqf n GLY 642 N 1.46 -1.05 0.43 -1.84 0.00 -1.26 -5.24 105.19 97.69 2pqf n GLY 642 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2pqf n GLY 642 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pqf n TRP 643 N 0.00 0.00 0.00 1.61 7.02 -1.26 -5.15 117.44 119.66 2pqf n TRP 643 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2pqf n TRP 643 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2pqf n TRP 643 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2pqf n ALA 646 N 0.59 0.00 -2.41 6.99 0.00 -1.26 -5.15 120.51 119.27 2pqf n ALA 646 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pqf n ALA 646 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2pqf n ALA 646 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2pqf s PHE 647 N -0.98 0.86 0.80 0.00 0.08 -1.26 -2.15 117.98 115.32 2pqf s PHE 647 Ca 0.00 -0.76 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 2pqf s PHE 647 Cb 0.00 -0.49 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 2pqf s PHE 647 CO 0.00 -0.11 1.09 0.71 -0.10 0.00 0.00 175.22 176.81 2pqf s TYR 648 N -2.81 2.53 -0.36 0.36 2.02 -0.82 -4.81 117.35 113.46 2pqf s TYR 648 Ca 0.05 1.47 0.22 0.00 -0.37 0.00 0.00 57.07 58.44 2pqf s TYR 648 Cb -0.00 -3.07 -0.13 0.00 -0.40 0.00 0.00 41.96 38.35 2pqf s TYR 648 CO -0.03 -1.93 0.81 -0.25 -1.57 0.00 0.00 175.55 172.59 2pqf n ASP 649 N -3.60 0.47 -3.60 2.29 8.00 0.79 -4.66 116.55 116.23 2pqf n ASP 649 Ca 0.08 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 2pqf n ASP 649 Cb 0.54 1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 42.82 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 -4.34 -0.40 0.19 -2.24 1.04 -1.15 -4.75 113.70 102.06 2pqf s SER 650 Ca -0.01 -0.22 0.11 0.00 0.48 0.00 0.00 55.95 56.31 2pqf s SER 650 Cb 0.13 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2pqf s SER 650 CO 0.85 -1.00 -0.21 0.00 0.98 0.00 0.00 173.24 173.85 2pqf s VAL 652 N -1.65 0.00 -0.03 0.00 -7.23 -0.57 -0.84 120.40 110.08 2pqf s VAL 652 Ca 0.21 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2pqf s VAL 652 Cb -0.08 -2.52 -0.24 0.00 0.56 0.00 0.00 36.38 34.10 2pqf s VAL 652 CO 0.11 0.00 0.70 -0.55 -0.31 0.00 0.00 175.10 175.05 2pqf h ASN 653 N 2.19 0.13 -3.40 4.85 -1.07 -1.85 -1.25 115.58 115.18 2pqf h ASN 653 Ca -0.27 -0.25 -0.19 0.00 0.07 0.00 0.00 56.30 55.66 2pqf h ASN 653 Cb 1.24 -0.04 -0.29 0.00 -2.07 0.00 0.00 38.32 37.15 2pqf h ASN 653 CO 0.39 1.22 -0.48 -0.55 0.07 0.00 0.00 177.43 178.07 2pqf s SER 654 N -6.45 -0.26 0.16 6.14 0.15 -1.26 -4.90 113.70 107.27 2pqf s SER 654 Ca -0.08 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 2pqf s SER 654 Cb 0.08 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2pqf s SER 654 CO 0.82 -0.16 1.39 -0.37 1.20 0.00 0.00 173.24 176.12 2pqf h VAL 655 N 5.77 1.37 -0.07 4.45 -1.51 -1.93 -2.48 116.25 121.85 2pqf h VAL 655 Ca -0.39 -2.20 -0.14 0.00 -1.23 0.00 0.00 66.70 62.74 2pqf h VAL 655 Cb 1.16 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 32.48 2pqf h VAL 655 CO 0.37 0.66 -0.57 0.28 -1.23 0.00 0.00 177.57 177.08 2pqf h SER 656 N 0.29 0.25 -1.29 4.19 0.02 -2.00 -3.39 113.55 111.62 2pqf h SER 656 Ca -0.05 -0.14 -0.43 0.00 -0.84 0.00 0.00 61.79 60.34 2pqf h SER 656 Cb 1.38 -0.07 -0.30 0.00 0.14 0.00 0.00 62.40 63.56 2pqf h SER 656 CO 0.14 0.77 -0.87 -0.67 -1.14 0.00 0.00 176.83 175.06 2pqf n ASP 657 N -3.89 -1.03 -4.71 3.07 2.03 -1.24 -5.13 116.55 105.64 2pqf n ASP 657 Ca -0.02 -2.90 -0.42 0.00 0.52 0.00 0.00 54.79 51.97 2pqf n ASP 657 Cb 0.59 0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 41.26 2pqf n ASP 657 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pqf s PRO 658 N -0.41 4.39 0.00 -0.67 0.04 -0.93 -4.58 135.00 132.83 2pqf s PRO 658 Ca 0.34 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2pqf s PRO 658 Cb 0.18 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2pqf s PRO 658 CO -0.16 -0.33 0.00 -1.13 0.04 0.00 0.00 177.00 175.42 2pqf n SER 659 N 3.90 1.52 -4.26 6.66 3.41 -1.26 -4.86 113.62 118.74 2pqf n SER 659 Ca 0.10 -0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 2pqf n SER 659 Cb 0.45 0.62 -0.16 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.92 2.02 -0.09 -1.33 1.01 -1.26 -1.22 121.20 119.40 2pqf s ILE 660 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.61 2pqf s ILE 660 Cb 0.00 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2pqf s ILE 660 CO 0.00 0.56 -0.10 -0.36 0.00 0.00 0.00 174.94 175.04 2pqf s PHE 661 N -0.13 1.53 -0.20 3.97 0.08 -0.76 -2.86 117.98 119.61 2pqf s PHE 661 Ca -0.04 -0.69 -0.08 0.00 0.12 0.00 0.00 56.93 56.24 2pqf s PHE 661 Cb -0.14 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 2pqf s PHE 661 CO 0.04 -0.42 0.09 0.08 -0.10 0.00 0.00 175.22 174.91 2pqf s VAL 662 N 1.20 4.97 -0.19 -0.44 1.01 -0.02 -1.10 120.40 125.83 2pqf s VAL 662 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2pqf s VAL 662 Cb -0.14 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.99 2pqf s VAL 662 CO -0.03 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 174.73 2pqf s ILE 663 N 0.50 2.49 -1.04 2.22 -1.09 0.22 -2.00 121.20 122.50 2pqf s ILE 663 Ca 0.05 -0.81 0.22 0.00 -2.23 0.00 0.00 60.65 57.88 2pqf s ILE 663 Cb -0.12 -2.09 -0.15 0.00 -1.58 0.00 0.00 42.46 38.52 2pqf s ILE 663 CO 0.00 0.49 1.06 0.49 -1.23 0.00 0.00 174.94 175.75 2pqf n PHE 664 N 4.68 0.00 -4.00 3.97 3.72 -1.26 -1.59 117.46 122.98 2pqf n PHE 664 Ca -0.20 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 2pqf n PHE 664 Cb 0.50 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.81 2pqf n PHE 664 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pqf s GLU 665 N -2.98 2.11 0.36 -1.08 2.56 -1.26 -5.00 118.70 113.40 2pqf s GLU 665 Ca 0.09 -0.62 0.10 0.00 0.00 0.00 0.00 54.97 54.54 2pqf s GLU 665 Cb 0.17 -2.16 0.68 0.00 2.00 0.00 0.00 34.13 34.82 2pqf s GLU 665 CO 0.81 -0.31 1.83 1.57 -0.56 0.00 0.00 175.26 178.60 2pqf h LYS 666 N 8.04 0.16 0.00 4.30 2.10 -1.93 -2.14 116.57 127.10 2pqf h LYS 666 Ca -0.34 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2pqf h LYS 666 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2pqf h LYS 666 CO 0.50 0.43 0.06 0.45 -2.00 0.00 0.00 179.45 178.89 2pqf h HIS 667 N 0.14 0.00 0.00 0.07 3.86 -1.96 -1.66 115.15 115.60 2pqf h HIS 667 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2pqf h HIS 667 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2pqf h HIS 667 CO 0.01 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.84 2pqf n GLN 668 N -3.01 0.76 -4.33 2.45 6.02 -0.80 -4.18 117.38 114.29 2pqf n GLN 668 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.76 2pqf n GLN 668 Cb 0.12 -1.16 -0.16 0.00 1.02 0.00 0.00 30.24 30.07 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 0.72 -0.18 5.09 1.01 -0.63 -0.41 120.40 124.00 2pqf s VAL 669 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2pqf s VAL 669 Cb 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2pqf s VAL 669 CO 0.09 0.24 -0.19 -0.47 0.00 0.00 0.00 175.10 174.77 2pqf s TYR 670 N 0.38 2.80 -0.49 5.22 5.04 0.67 -4.91 117.35 126.05 2pqf s TYR 670 Ca -0.06 -1.61 -0.28 0.00 -2.44 0.00 0.00 57.07 52.68 2pqf s TYR 670 Cb -0.10 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.29 2pqf s TYR 670 CO 0.01 -0.79 1.32 -1.25 -1.34 0.00 0.00 175.55 173.50 2pqf s PRO 671 N 1.30 3.52 -0.14 4.97 0.04 -1.26 -0.22 135.00 143.21 2pqf s PRO 671 Ca 0.05 0.62 0.15 0.00 0.04 0.00 0.00 61.00 61.86 2pqf s PRO 671 Cb -0.13 -4.03 -0.21 0.00 0.04 0.00 0.00 34.50 30.17 2pqf s PRO 671 CO -0.12 -1.65 0.11 -0.85 0.04 0.00 0.00 177.00 174.53 2pqf n GLU 672 N 8.25 1.20 -3.91 4.56 0.28 -0.72 -4.63 120.64 125.67 2pqf n GLU 672 Ca 0.13 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.96 2pqf n GLU 672 Cb 0.49 -1.42 -0.15 0.00 1.43 0.00 0.00 31.44 31.79 2pqf n GLU 672 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2pqf s TYR 673 N -2.53 0.12 -0.32 -1.84 2.02 -0.41 -0.60 117.35 113.79 2pqf s TYR 673 Ca -0.08 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2pqf s TYR 673 Cb 0.06 -0.14 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 2pqf s TYR 673 CO 0.68 -0.03 0.19 0.08 -1.57 0.00 0.00 175.55 174.90 2pqf s VAL 674 N 0.28 4.93 -0.27 0.71 1.01 -0.51 -1.14 120.40 125.40 2pqf s VAL 674 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2pqf s VAL 674 Cb -0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2pqf s VAL 674 CO -0.01 0.05 0.14 -0.63 0.00 0.00 0.00 175.10 174.66 2pqf s ILE 675 N 1.67 4.90 -0.19 2.22 1.01 -1.26 -1.56 121.20 127.99 2pqf s ILE 675 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 2pqf s ILE 675 Cb -0.17 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2pqf s ILE 675 CO 0.08 0.28 0.02 -1.58 0.00 0.00 0.00 174.94 173.74 2pqf s GLN 676 N 1.70 3.74 0.11 2.79 0.74 0.61 -4.27 119.66 125.08 2pqf s GLN 676 Ca 0.07 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 2pqf s GLN 676 Cb -0.16 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2pqf s GLN 676 CO 0.08 0.10 0.04 1.52 -0.55 0.00 0.00 175.29 176.49 2pqf s TYR 677 N 0.78 0.77 -0.03 1.67 -0.85 -0.47 -0.23 117.35 119.00 2pqf s TYR 677 Ca 0.01 -1.18 0.06 0.00 -0.52 0.00 0.00 57.07 55.45 2pqf s TYR 677 Cb -0.14 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.74 2pqf s TYR 677 CO 0.02 -0.50 -0.22 -0.08 -1.52 0.00 0.00 175.55 173.26 2pqf s THR 678 N -4.02 1.76 -2.17 -3.49 -1.32 0.46 -0.80 115.64 106.06 2pqf s THR 678 Ca 0.20 -0.94 0.18 0.00 -1.21 0.00 0.00 61.69 59.92 2pqf s THR 678 Cb 0.07 -1.47 0.44 0.00 -1.51 0.00 0.00 72.50 70.03 2pqf s THR 678 CO -0.01 0.50 1.53 0.35 -2.21 0.00 0.00 174.62 174.78 2pqf n THR 679 N 2.66 0.19 -3.10 5.08 -2.24 -0.68 -1.77 114.28 114.42 2pqf n THR 679 Ca -0.16 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 2pqf n THR 679 Cb 0.52 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2pqf n THR 679 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pqf s SER 680 N -1.48 6.88 0.00 3.42 0.15 -1.26 -5.01 113.70 116.40 2pqf s SER 680 Ca 0.29 1.36 0.12 0.00 0.70 0.00 0.00 55.95 58.42 2pqf s SER 680 Cb 0.15 -2.40 0.10 0.00 -1.71 0.00 0.00 66.02 62.15 2pqf s SER 680 CO 0.23 -0.14 0.88 -0.24 1.20 0.00 0.00 173.24 175.17