#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqf n LEU 498 N 0.00 1.86 0.00 -0.35 -0.00 -1.26 -4.68 117.00 112.57 1lqf n LEU 498 Ca 0.00 -2.95 0.03 0.00 -0.00 0.00 0.00 56.01 53.09 1lqf n LEU 498 Cb 0.00 -0.27 0.17 0.00 -0.00 0.00 0.00 43.42 43.32 1lqf n LEU 498 CO 0.00 0.95 0.54 -0.62 -0.00 0.00 0.00 177.39 178.26 1lqf n GLU 499 N -0.36 0.09 0.02 1.96 4.71 -1.26 -3.51 120.64 122.29 1lqf n GLU 499 Ca 0.13 0.23 -0.01 0.00 -0.01 0.00 0.00 57.16 57.50 1lqf n GLU 499 Cb 0.90 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.82 1lqf n GLU 499 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1lqf h PHE 500 N 0.00 -0.07 -1.75 -0.32 3.57 -1.98 -1.58 116.94 114.81 1lqf h PHE 500 Ca 0.00 -0.00 0.52 0.00 3.53 0.00 0.00 57.97 62.02 1lqf h PHE 500 Cb 0.07 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1lqf h PHE 500 CO 0.00 -0.04 1.24 0.52 -2.23 0.00 0.00 178.31 177.80 1lqf h MET 501 N -0.17 0.01 0.00 1.11 2.86 -1.95 0.20 114.93 116.99 1lqf h MET 501 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1lqf h MET 501 Cb 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1lqf h MET 501 CO 0.01 0.01 0.00 -1.91 1.06 0.00 0.00 176.91 176.08 1lqf n GLU 502 N -4.15 0.00 0.00 1.72 4.07 -1.24 -2.38 120.64 118.67 1lqf n GLU 502 Ca 0.41 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 1lqf n GLU 502 Cb 1.82 -1.22 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 1lqf n GLU 502 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1lqf n MET 503 N -1.50 0.00 -0.08 5.31 0.00 0.56 0.23 117.12 121.64 1lqf n MET 503 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 57.70 57.73 1lqf n MET 503 Cb 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 33.22 31.51 1lqf n MET 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1lqf n GLU 504 N -1.03 0.67 -0.12 3.17 1.02 -0.43 -3.37 120.64 120.55 1lqf n GLU 504 Ca 0.00 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1lqf n GLU 504 Cb 0.05 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1lqf n GLU 504 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1lqf h LYS 505 N 0.00 0.57 -0.98 3.49 3.64 0.32 -1.61 116.57 122.00 1lqf h LYS 505 Ca -0.47 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1lqf h LYS 505 Cb 2.15 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.83 1lqf h LYS 505 CO 0.04 0.58 0.64 1.49 -2.27 0.00 0.00 179.45 179.93 1lqf h GLU 506 N 0.45 1.18 -0.14 1.90 4.57 -1.49 -0.62 114.58 120.43 1lqf h GLU 506 Ca 0.12 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1lqf h GLU 506 Cb 0.24 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1lqf h GLU 506 CO -0.01 0.78 -0.23 0.35 -1.18 0.00 0.00 179.01 178.72 1lqf h PHE 507 N 1.21 0.50 -0.86 0.92 3.04 -1.52 -2.89 116.94 117.34 1lqf h PHE 507 Ca 0.40 -0.17 0.22 0.00 3.98 0.00 0.00 57.97 62.39 1lqf h PHE 507 Cb 0.05 -0.10 -0.13 0.00 2.56 0.00 0.00 35.95 38.33 1lqf h PHE 507 CO -0.00 0.85 0.30 1.49 -2.02 0.00 0.00 178.31 178.93 1lqf h GLU 508 N 0.01 0.30 0.20 1.11 4.22 -0.68 -1.09 114.58 118.64 1lqf h GLU 508 Ca 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1lqf h GLU 508 Cb 0.81 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1lqf h GLU 508 CO 0.05 0.20 -0.10 1.96 -2.18 0.00 0.00 179.01 178.95 1lqf h GLN 509 N 0.31 -0.26 -1.01 1.92 1.08 -1.02 -0.35 115.11 115.78 1lqf h GLN 509 Ca 0.53 0.02 0.25 0.00 -1.45 0.00 0.00 58.65 58.00 1lqf h GLN 509 Cb 1.02 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.43 1lqf h GLN 509 CO -0.57 0.14 0.66 0.82 -0.95 0.00 0.00 178.83 178.93 1lqf h ILE 510 N -0.81 0.56 0.37 2.54 2.04 -1.29 -0.92 117.51 120.00 1lqf h ILE 510 Ca -0.03 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1lqf h ILE 510 Cb 0.52 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1lqf h ILE 510 CO 0.05 0.06 -0.18 -0.78 0.00 0.00 0.00 178.15 177.30 1lqf h ASP 511 N 0.35 -0.42 -0.24 1.72 3.58 -1.12 -0.15 116.42 120.12 1lqf h ASP 511 Ca 0.55 -0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.92 1lqf h ASP 511 Cb 1.48 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 42.57 1lqf h ASP 511 CO -0.23 -0.01 -0.21 0.11 -2.88 0.00 0.00 179.24 176.02 1lqf h LYS 512 N -0.94 -0.21 0.00 0.28 1.57 -0.02 0.13 116.57 117.38 1lqf h LYS 512 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lqf h LYS 512 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1lqf h LYS 512 CO 0.08 -0.14 0.00 -1.13 -0.57 0.00 0.00 179.45 177.70 1lqf n SER 513 N -5.36 0.00 -4.39 0.86 3.41 -0.45 -4.90 113.62 102.79 1lqf n SER 513 Ca -0.01 -1.32 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 1lqf n SER 513 Cb 0.27 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1lqf n SER 513 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqf n GLY 514 N 0.65 -0.26 0.00 5.00 0.00 0.46 -4.81 105.19 106.24 1lqf n GLY 514 Ca 0.12 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1lqf n GLY 514 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lqf n SER 515 N -2.71 0.00 0.04 1.61 7.64 -0.22 -4.33 113.62 115.65 1lqf n SER 515 Ca -0.12 -1.26 -0.12 0.00 1.01 0.00 0.00 58.87 58.38 1lqf n SER 515 Cb 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1lqf n SER 515 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1lqf h TRP 516 N 0.00 -1.16 -0.93 1.43 -0.00 -1.88 -1.88 115.95 111.53 1lqf h TRP 516 Ca 0.00 0.04 0.21 0.00 -0.00 0.00 0.00 58.89 59.14 1lqf h TRP 516 Cb 0.00 0.50 -0.07 0.00 -0.00 0.00 0.00 29.16 29.59 1lqf h TRP 516 CO 0.00 -0.42 0.61 0.00 -0.00 0.00 0.00 178.44 178.63 1lqf h ALA 517 N -0.72 2.21 0.11 1.49 0.00 -1.88 0.02 119.26 120.49 1lqf h ALA 517 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1lqf h ALA 517 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1lqf h ALA 517 CO -0.26 -0.52 -0.05 0.00 0.00 0.00 0.00 179.25 178.42 1lqf h ALA 518 N 1.61 -0.15 0.03 0.00 0.00 -1.73 -1.04 119.26 117.98 1lqf h ALA 518 Ca 0.49 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1lqf h ALA 518 Cb 1.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1lqf h ALA 518 CO -0.20 -0.43 -0.12 0.82 0.00 0.00 0.00 179.25 179.32 1lqf h ILE 519 N -0.45 0.70 -0.58 0.00 2.04 -0.46 -1.97 117.51 116.80 1lqf h ILE 519 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1lqf h ILE 519 Cb 0.37 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1lqf h ILE 519 CO 0.02 0.00 0.27 0.22 0.00 0.00 0.00 178.15 178.66 1lqf h TYR 520 N -0.22 0.48 -1.00 1.37 3.20 -1.06 -0.68 116.97 119.06 1lqf h TYR 520 Ca 0.03 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1lqf h TYR 520 Cb 0.26 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.32 1lqf h TYR 520 CO -0.17 0.20 0.64 0.37 -1.64 0.00 0.00 178.16 177.56 1lqf h GLN 521 N 0.50 1.00 -0.57 1.82 5.75 -0.78 0.60 115.11 123.43 1lqf h GLN 521 Ca 0.27 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1lqf h GLN 521 Cb 0.24 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1lqf h GLN 521 CO -0.22 0.66 0.04 -0.44 -2.65 0.00 0.00 178.83 176.22 1lqf h ASP 522 N 1.03 0.95 -0.39 -0.69 3.32 -0.43 -0.07 116.42 120.15 1lqf h ASP 522 Ca 0.48 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1lqf h ASP 522 Cb 0.42 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1lqf h ASP 522 CO -0.24 1.00 0.19 0.40 -1.72 0.00 0.00 179.24 178.87 1lqf h ILE 523 N 0.87 0.97 -0.73 0.35 5.03 0.22 0.49 117.51 124.72 1lqf h ILE 523 Ca 0.17 -0.13 0.05 0.00 -0.12 0.00 0.00 64.86 64.82 1lqf h ILE 523 Cb 0.49 0.55 -0.05 0.00 -3.03 0.00 0.00 36.82 34.77 1lqf h ILE 523 CO 0.02 0.07 0.44 0.03 -0.68 0.00 0.00 178.15 178.03 1lqf h ARG 524 N 0.39 0.80 -0.22 2.37 3.08 -0.37 -0.88 114.38 119.56 1lqf h ARG 524 Ca 0.17 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1lqf h ARG 524 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1lqf h ARG 524 CO -0.12 0.53 -0.43 1.25 -1.07 0.00 0.00 179.97 180.13 1lqf h HIS 525 N 0.83 0.85 0.00 3.04 2.76 -0.73 -3.27 115.15 118.62 1lqf h HIS 525 Ca 0.31 -0.31 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1lqf h HIS 525 Cb 0.11 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1lqf h HIS 525 CO -0.05 1.08 -0.01 0.93 -1.30 0.00 0.00 177.93 178.58 1lqf h GLU 526 N 0.38 0.00 -6.49 5.26 5.08 -0.67 -3.47 114.58 114.66 1lqf h GLU 526 Ca 0.01 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.77 1lqf h GLU 526 Cb 1.04 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.41 1lqf h GLU 526 CO 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1lqf n ALA 527 N -2.10 -0.44 -1.59 3.43 0.00 -0.36 -4.94 120.51 114.52 1lqf n ALA 527 Ca 0.02 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 1lqf n ALA 527 Cb 0.44 -1.98 0.04 0.00 0.00 0.00 0.00 19.45 17.95 1lqf n ALA 527 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lqf s SER 528 N -0.74 5.20 -0.32 0.00 0.01 -1.26 -5.03 113.70 111.56 1lqf s SER 528 Ca 0.62 2.12 -0.02 0.00 1.31 0.00 0.00 55.95 59.98 1lqf s SER 528 Cb -0.63 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.14 1lqf s SER 528 CO 0.58 -1.57 0.14 -0.62 0.41 0.00 0.00 173.24 172.18 1lqf s ASP 529 N -2.21 3.59 0.31 2.44 2.15 -1.26 -4.96 116.67 116.72 1lqf s ASP 529 Ca 0.70 -1.66 0.08 0.00 0.43 0.00 0.00 52.55 52.09 1lqf s ASP 529 Cb -0.23 -0.56 -0.03 0.00 -0.30 0.00 0.00 42.92 41.79 1lqf s ASP 529 CO 0.37 -0.39 0.22 -0.36 -0.17 0.00 0.00 175.17 174.84 1lqf s PHE 530 N 1.63 2.89 0.41 -5.34 0.40 -1.26 -5.10 117.98 111.61 1lqf s PHE 530 Ca 0.12 -0.27 -0.24 0.00 -0.60 0.00 0.00 56.93 55.93 1lqf s PHE 530 Cb -0.18 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.62 1lqf s PHE 530 CO -0.24 0.31 1.10 -1.25 0.70 0.00 0.00 175.22 175.85 1lqf s PRO 531 N -3.91 4.04 -0.42 0.24 0.04 -1.26 -4.91 135.00 128.81 1lqf s PRO 531 Ca 0.38 1.65 0.08 0.00 0.04 0.00 0.00 61.00 63.15 1lqf s PRO 531 Cb -0.06 -2.54 0.42 0.00 0.04 0.00 0.00 34.50 32.37 1lqf s PRO 531 CO 0.25 -0.28 1.05 0.00 0.04 0.00 0.00 177.00 178.06 1lqf h ARG 533 N 2.71 -0.51 -1.05 0.00 2.47 -1.95 -2.69 114.38 113.36 1lqf h ARG 533 Ca 0.20 0.03 0.32 0.00 -1.26 0.00 0.00 59.98 59.27 1lqf h ARG 533 Cb 0.95 0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 29.25 1lqf h ARG 533 CO 0.76 -0.34 0.63 0.28 0.56 0.00 0.00 179.97 181.86 1lqf h VAL 534 N -0.53 0.35 0.00 2.04 2.07 -1.92 0.57 116.25 118.83 1lqf h VAL 534 Ca -0.03 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1lqf h VAL 534 Cb 0.47 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1lqf h VAL 534 CO -0.07 0.06 -0.12 0.00 0.02 0.00 0.00 177.57 177.46 1lqf h ALA 535 N 1.76 1.66 -0.03 1.67 0.00 -1.76 -3.04 119.26 119.52 1lqf h ALA 535 Ca 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1lqf h ALA 535 Cb 1.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1lqf h ALA 535 CO -0.51 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.53 1lqf n LYS 536 N -4.19 1.76 -1.82 0.00 4.76 0.20 -4.67 118.16 114.20 1lqf n LYS 536 Ca -0.02 -1.11 -0.35 0.00 -2.87 0.00 0.00 58.31 53.96 1lqf n LYS 536 Cb 0.20 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.97 1lqf n LYS 536 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1lqf s LEU 537 N -1.97 3.53 0.30 -0.35 1.02 -1.15 -4.93 118.68 115.13 1lqf s LEU 537 Ca 0.36 2.32 -0.02 0.00 0.02 0.00 0.00 54.13 56.82 1lqf s LEU 537 Cb 0.21 -4.59 0.45 0.00 0.02 0.00 0.00 46.19 42.28 1lqf s LEU 537 CO 0.33 -1.78 1.95 -0.65 0.02 0.00 0.00 176.35 176.22 1lqf h PRO 538 N 0.45 1.03 0.00 1.29 0.11 -1.92 -2.44 132.00 130.52 1lqf h PRO 538 Ca -0.49 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.51 1lqf h PRO 538 Cb 1.29 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lqf h PRO 538 CO 0.53 0.72 -0.10 1.57 -0.21 0.00 0.00 178.00 180.51 1lqf h LYS 539 N 1.05 0.00 -0.64 1.05 2.10 -1.96 -2.22 116.57 115.95 1lqf h LYS 539 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1lqf h LYS 539 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1lqf h LYS 539 CO -0.05 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.58 1lqf n ASN 540 N -3.65 3.84 -0.23 7.07 3.02 -0.93 -4.53 115.26 119.84 1lqf n ASN 540 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1lqf n ASN 540 Cb 0.21 -0.43 0.23 0.00 -0.61 0.00 0.00 39.78 39.19 1lqf n ASN 540 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1lqf h LYS 541 N 4.36 1.03 -0.63 3.52 3.64 -1.26 -2.73 116.57 124.49 1lqf h LYS 541 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lqf h LYS 541 Cb 0.99 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1lqf h LYS 541 CO 0.00 0.68 0.00 0.27 -2.27 0.00 0.00 179.45 178.13 1lqf n ASN 542 N -4.41 3.85 -0.01 4.20 2.04 -1.26 -4.00 115.26 115.67 1lqf n ASN 542 Ca 0.09 -2.39 0.07 0.00 -0.44 0.00 0.00 54.58 51.91 1lqf n ASN 542 Cb 0.03 -0.52 -0.11 0.00 -2.53 0.00 0.00 39.78 36.65 1lqf n ASN 542 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1lqf n ARG 543 N 0.75 0.74 -3.25 -3.83 1.74 -1.03 -4.90 116.66 106.87 1lqf n ARG 543 Ca 0.20 -0.12 -0.45 0.00 -0.77 0.00 0.00 57.85 56.71 1lqf n ARG 543 Cb 0.74 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 1lqf n ARG 543 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1lqf s ASN 544 N -3.51 6.19 0.61 0.55 0.01 -1.24 -4.60 114.94 112.94 1lqf s ASN 544 Ca -0.04 -1.64 0.27 0.00 -0.71 0.00 0.00 52.86 50.75 1lqf s ASN 544 Cb 0.10 -2.24 1.14 0.00 0.41 0.00 0.00 41.25 40.66 1lqf s ASN 544 CO 0.62 -0.92 1.55 -0.09 -1.51 0.00 0.00 177.10 176.75 1lqf h ARG 545 N 8.97 0.00 -3.37 -0.60 2.43 -1.90 -3.38 114.38 116.53 1lqf h ARG 545 Ca -0.30 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.70 1lqf h ARG 545 Cb 1.10 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.40 1lqf h ARG 545 CO 1.05 0.00 -0.52 0.71 -1.51 0.00 0.00 179.97 179.70 1lqf s TYR 546 N -4.48 -0.13 0.21 2.20 1.51 -1.26 -5.06 117.35 110.34 1lqf s TYR 546 Ca -0.03 0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 1lqf s TYR 546 Cb 0.14 0.04 0.14 0.00 -0.11 0.00 0.00 41.96 42.17 1lqf s TYR 546 CO 0.48 -0.13 1.48 0.00 -1.11 0.00 0.00 175.55 176.27 1lqf h ARG 547 N 5.54 0.13 -0.00 -0.62 3.08 -1.98 -3.22 114.38 117.31 1lqf h ARG 547 Ca -0.26 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1lqf h ARG 547 Cb 1.20 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1lqf h ARG 547 CO 0.40 0.82 -0.06 -0.40 -1.07 0.00 0.00 179.97 179.66 1lqf n ASP 548 N -3.72 0.42 -3.99 7.04 5.75 -1.26 -4.67 116.55 116.12 1lqf n ASP 548 Ca -0.02 -0.68 -0.31 0.00 -0.01 0.00 0.00 54.79 53.77 1lqf n ASP 548 Cb 0.72 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.58 1lqf n ASP 548 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1lqf s VAL 549 N -2.35 1.79 0.07 2.12 1.01 -1.22 -5.10 120.40 116.72 1lqf s VAL 549 Ca 0.33 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1lqf s VAL 549 Cb 0.21 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1lqf s VAL 549 CO 0.44 -0.10 0.14 -0.44 0.00 0.00 0.00 175.10 175.14 1lqf s SER 550 N 1.27 0.19 0.16 3.32 0.01 -1.26 -4.60 113.70 112.78 1lqf s SER 550 Ca -0.06 -0.69 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 1lqf s SER 550 Cb -0.19 0.30 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 1lqf s SER 550 CO -0.06 -0.68 0.96 -2.16 0.41 0.00 0.00 173.24 171.72 1lqf s PRO 551 N -3.69 4.75 0.49 12.44 0.04 -1.26 -4.63 135.00 143.14 1lqf s PRO 551 Ca 0.04 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 1lqf s PRO 551 Cb 0.05 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 1lqf s PRO 551 CO -0.10 0.31 1.20 -0.06 0.04 0.00 0.00 177.00 178.39 1lqf s PHE 552 N -0.43 2.72 0.38 0.56 0.08 -1.26 -4.58 117.98 115.44 1lqf s PHE 552 Ca 0.45 1.51 0.09 0.00 0.12 0.00 0.00 56.93 59.10 1lqf s PHE 552 Cb -0.25 -3.46 0.76 0.00 -0.57 0.00 0.00 43.02 39.51 1lqf s PHE 552 CO 0.31 -1.81 1.91 -0.44 -0.10 0.00 0.00 175.22 175.09 1lqf h ASP 553 N 1.79 0.25 0.83 1.36 3.32 -1.48 -0.71 116.42 121.78 1lqf h ASP 553 Ca -0.50 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1lqf h ASP 553 Cb 1.26 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1lqf h ASP 553 CO 0.59 0.40 0.00 1.12 -1.72 0.00 0.00 179.24 179.63 1lqf h HIS 554 N 0.25 0.00 0.00 4.55 2.07 -1.91 -3.29 115.15 116.82 1lqf h HIS 554 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1lqf h HIS 554 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1lqf h HIS 554 CO 0.01 0.00 -0.15 -1.13 -3.07 0.00 0.00 177.93 173.59 1lqf n SER 555 N -2.61 0.36 -4.77 3.10 3.41 -1.10 -5.07 113.62 106.93 1lqf n SER 555 Ca 0.01 -1.53 -0.36 0.00 -0.26 0.00 0.00 58.87 56.74 1lqf n SER 555 Cb 0.26 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1lqf n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lqf s ARG 556 N -0.28 3.48 -0.24 4.33 1.70 -0.29 -0.45 118.95 127.20 1lqf s ARG 556 Ca 0.02 1.65 -0.23 0.00 -0.47 0.00 0.00 55.73 56.70 1lqf s ARG 556 Cb 0.02 -2.12 -0.01 0.00 -0.57 0.00 0.00 34.95 32.27 1lqf s ARG 556 CO 0.00 -0.75 0.74 0.42 -1.08 0.00 0.00 175.30 174.62 1lqf s ILE 557 N -1.71 4.91 -0.18 4.99 -1.09 0.14 -4.80 121.20 123.45 1lqf s ILE 557 Ca 0.70 1.37 -0.17 0.00 -2.23 0.00 0.00 60.65 60.31 1lqf s ILE 557 Cb -0.25 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1lqf s ILE 557 CO 0.29 -0.02 0.46 -0.54 -1.23 0.00 0.00 174.94 173.90 1lqf s LYS 558 N 2.63 4.22 0.37 2.79 1.02 -1.26 -4.23 119.74 125.28 1lqf s LYS 558 Ca 0.31 0.34 -0.25 0.00 0.02 0.00 0.00 55.97 56.39 1lqf s LYS 558 Cb -0.15 -3.52 -0.09 0.00 -0.52 0.00 0.00 37.83 33.54 1lqf s LYS 558 CO 0.08 -0.04 1.06 -0.51 -0.92 0.00 0.00 175.35 175.02 1lqf s LEU 559 N 1.28 4.23 -1.20 3.17 1.43 -1.26 -4.95 118.68 121.38 1lqf s LEU 559 Ca 0.23 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.23 1lqf s LEU 559 Cb -0.15 -4.06 0.09 0.00 0.03 0.00 0.00 46.19 42.10 1lqf s LEU 559 CO 0.09 -0.42 1.57 -1.00 0.23 0.00 0.00 176.35 176.83 1lqf s HIS 560 N -1.55 2.93 -0.02 0.29 3.76 -1.26 -4.62 115.29 114.82 1lqf s HIS 560 Ca 0.55 -1.59 -0.11 0.00 -0.15 0.00 0.00 55.06 53.76 1lqf s HIS 560 Cb -0.24 -4.61 0.01 0.00 1.11 0.00 0.00 32.58 28.85 1lqf s HIS 560 CO 0.30 -1.71 0.23 -0.65 -0.85 0.00 0.00 174.74 172.06 1lqf s GLN 561 N 3.63 0.53 0.33 1.40 -0.21 -1.26 -5.04 119.66 119.05 1lqf s GLN 561 Ca 0.48 -0.18 0.23 0.00 0.02 0.00 0.00 55.36 55.91 1lqf s GLN 561 Cb 0.01 0.23 0.23 0.00 1.00 0.00 0.00 33.01 34.48 1lqf s GLN 561 CO 0.02 -0.13 1.39 1.05 -2.12 0.00 0.00 175.29 175.50 1lqf h GLU 562 N 4.34 0.00 0.00 2.91 9.09 -2.04 -3.40 114.58 125.48 1lqf h GLU 562 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 1lqf h GLU 562 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1lqf h GLU 562 CO 0.39 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 175.98 1lqf n ASP 563 N -2.87 0.00 -4.24 3.06 -0.08 -1.26 -4.95 116.55 106.20 1lqf n ASP 563 Ca 0.03 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.95 1lqf n ASP 563 Cb 0.53 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.86 1lqf n ASP 563 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1lqf s ASN 564 N -1.00 4.81 -1.49 1.67 3.84 -1.26 -5.02 114.94 116.49 1lqf s ASN 564 Ca 0.00 -0.97 -0.10 0.00 0.21 0.00 0.00 52.86 52.01 1lqf s ASN 564 Cb 0.00 -1.76 0.01 0.00 -0.55 0.00 0.00 41.25 38.95 1lqf s ASN 564 CO 0.00 -0.21 2.59 -0.90 -2.79 0.00 0.00 177.10 175.79 1lqf n ASP 565 N 4.73 7.37 -3.77 -4.21 5.75 -1.26 -4.90 116.55 120.25 1lqf n ASP 565 Ca -0.15 -2.81 -0.13 0.00 -0.01 0.00 0.00 54.79 51.69 1lqf n ASP 565 Cb 0.46 -1.52 -0.11 0.00 -1.03 0.00 0.00 41.12 38.92 1lqf n ASP 565 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1lqf s TYR 566 N 1.35 -0.31 -0.03 2.11 5.04 -1.26 -4.02 117.35 120.24 1lqf s TYR 566 Ca 0.59 0.75 -0.14 0.00 -2.44 0.00 0.00 57.07 55.83 1lqf s TYR 566 Cb 0.17 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.60 1lqf s TYR 566 CO -0.07 -0.15 0.30 -1.50 -1.34 0.00 0.00 175.55 172.79 1lqf s ILE 567 N 0.22 0.05 -0.90 3.14 2.07 -1.26 -4.93 121.20 119.60 1lqf s ILE 567 Ca -0.01 -0.43 -0.22 0.00 -1.41 0.00 0.00 60.65 58.57 1lqf s ILE 567 Cb -0.02 -0.58 0.07 0.00 0.13 0.00 0.00 42.46 42.06 1lqf s ILE 567 CO -0.00 -0.24 1.27 0.21 -1.91 0.00 0.00 174.94 174.26 1lqf s ASN 568 N -1.15 6.43 -0.29 4.50 3.84 -1.26 -4.66 114.94 122.36 1lqf s ASN 568 Ca -0.12 -1.37 -0.21 0.00 0.21 0.00 0.00 52.86 51.37 1lqf s ASN 568 Cb -0.05 -2.50 0.14 0.00 -0.55 0.00 0.00 41.25 38.29 1lqf s ASN 568 CO 0.04 -1.44 1.04 0.00 -2.79 0.00 0.00 177.10 173.95 1lqf s ALA 569 N 4.37 -2.12 0.31 1.71 0.00 -1.26 -3.19 121.76 121.57 1lqf s ALA 569 Ca 0.37 2.00 0.10 0.00 0.00 0.00 0.00 51.96 54.43 1lqf s ALA 569 Cb -0.05 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1lqf s ALA 569 CO -0.03 -0.27 -0.02 -1.12 0.00 0.00 0.00 175.76 174.32 1lqf s SER 570 N 0.69 4.23 -0.29 0.00 0.01 0.11 -0.69 113.70 117.76 1lqf s SER 570 Ca -0.02 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.30 1lqf s SER 570 Cb -0.04 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1lqf s SER 570 CO -0.11 -0.12 0.08 -0.22 0.41 0.00 0.00 173.24 173.28 1lqf s LEU 571 N -3.68 3.83 -0.33 2.44 2.96 0.41 -2.14 118.68 122.18 1lqf s LEU 571 Ca 0.33 -0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 53.36 1lqf s LEU 571 Cb -0.03 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1lqf s LEU 571 CO 0.19 -0.19 0.46 -0.63 -1.32 0.00 0.00 176.35 174.86 1lqf s ILE 572 N 1.50 5.08 -0.33 6.68 1.09 -0.76 -4.89 121.20 129.56 1lqf s ILE 572 Ca 0.03 0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.94 1lqf s ILE 572 Cb -0.17 -3.88 0.09 0.00 -1.06 0.00 0.00 42.46 37.43 1lqf s ILE 572 CO 0.02 -0.11 0.04 -0.75 -0.10 0.00 0.00 174.94 174.04 1lqf s LYS 573 N 2.25 1.89 -0.61 2.79 2.20 -1.26 -1.47 119.74 125.54 1lqf s LYS 573 Ca 0.17 -1.66 -0.21 0.00 -0.36 0.00 0.00 55.97 53.91 1lqf s LYS 573 Cb -0.16 -3.20 0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1lqf s LYS 573 CO 0.12 -0.83 0.81 -1.64 -0.36 0.00 0.00 175.35 173.45 1lqf s MET 574 N 1.04 3.10 0.00 4.03 -1.94 -0.53 -4.98 119.30 120.01 1lqf s MET 574 Ca 0.04 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1lqf s MET 574 Cb -0.20 -4.22 0.00 0.00 2.01 0.00 0.00 34.83 32.42 1lqf s MET 574 CO -0.06 -1.61 0.11 0.39 -0.01 0.00 0.00 175.02 173.85 1lqf n GLU 575 N 6.93 0.00 -0.16 2.03 -0.58 -1.26 -0.55 120.64 127.05 1lqf n GLU 575 Ca -0.06 0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1lqf n GLU 575 Cb 0.44 -0.61 -0.04 0.00 -0.57 0.00 0.00 31.44 30.67 1lqf n GLU 575 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1lqf n GLU 576 N -0.17 -0.16 0.30 3.49 2.13 -1.26 0.27 120.64 125.23 1lqf n GLU 576 Ca 0.00 0.58 0.18 0.00 0.66 0.00 0.00 57.16 58.58 1lqf n GLU 576 Cb 0.00 -0.85 0.89 0.00 0.27 0.00 0.00 31.44 31.75 1lqf n GLU 576 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lqf h ALA 577 N 0.17 1.06 -5.67 4.31 0.00 -1.94 -3.47 119.26 113.72 1lqf h ALA 577 Ca 0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1lqf h ALA 577 Cb 0.15 -0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.10 1lqf h ALA 577 CO -0.35 0.04 -0.86 1.04 0.00 0.00 0.00 179.25 179.12 1lqf n GLN 578 N -3.21 -1.93 -3.76 0.00 6.02 0.76 -4.96 117.38 110.30 1lqf n GLN 578 Ca -0.01 0.77 -0.13 0.00 -0.01 0.00 0.00 57.00 57.62 1lqf n GLN 578 Cb 0.21 -5.34 -0.08 0.00 1.02 0.00 0.00 30.24 26.04 1lqf n GLN 578 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1lqf s ARG 579 N -4.80 0.70 0.02 -1.09 3.52 -1.13 -4.97 118.95 111.20 1lqf s ARG 579 Ca 0.45 -0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1lqf s ARG 579 Cb -0.09 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1lqf s ARG 579 CO 0.77 -0.20 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.93 1lqf s SER 580 N -1.47 0.22 0.27 -2.12 0.01 -1.26 -1.46 113.70 107.89 1lqf s SER 580 Ca -0.12 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.68 1lqf s SER 580 Cb -0.04 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1lqf s SER 580 CO 0.03 -0.31 0.12 -0.31 0.41 0.00 0.00 173.24 173.18 1lqf s TYR 581 N -1.48 1.53 -0.20 2.43 1.51 -0.54 -4.05 117.35 116.56 1lqf s TYR 581 Ca -0.16 -1.27 -0.01 0.00 -1.01 0.00 0.00 57.07 54.62 1lqf s TYR 581 Cb -0.10 -0.86 0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1lqf s TYR 581 CO -0.01 -0.43 -0.00 0.42 -1.11 0.00 0.00 175.55 174.42 1lqf s ILE 582 N -3.73 0.89 -0.15 2.71 1.01 -0.70 -1.83 121.20 119.40 1lqf s ILE 582 Ca 0.37 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1lqf s ILE 582 Cb 0.07 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1lqf s ILE 582 CO 0.15 -0.14 0.22 -0.76 0.00 0.00 0.00 174.94 174.41 1lqf s LEU 583 N 1.69 4.29 0.09 2.97 1.02 -0.91 0.11 118.68 127.95 1lqf s LEU 583 Ca -0.02 0.47 -0.09 0.00 0.02 0.00 0.00 54.13 54.50 1lqf s LEU 583 Cb -0.17 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1lqf s LEU 583 CO -0.07 0.22 0.20 0.28 0.02 0.00 0.00 176.35 177.00 1lqf s THR 584 N -0.07 0.14 0.70 5.49 -1.32 -0.60 -0.71 115.64 119.26 1lqf s THR 584 Ca 0.14 -1.12 -0.11 0.00 -1.21 0.00 0.00 61.69 59.40 1lqf s THR 584 Cb -0.13 -1.29 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 1lqf s THR 584 CO 0.03 -0.62 1.06 0.00 -2.21 0.00 0.00 174.62 172.89 1lqf s GLN 585 N -3.74 2.88 0.22 7.08 -2.07 -1.19 -3.76 119.66 119.07 1lqf s GLN 585 Ca 0.04 0.89 -0.31 0.00 -1.82 0.00 0.00 55.36 54.15 1lqf s GLN 585 Cb 0.04 -1.99 -0.11 0.00 -1.09 0.00 0.00 33.01 29.86 1lqf s GLN 585 CO -0.10 -1.13 1.62 0.20 -1.32 0.00 0.00 175.29 174.56 1lqf s GLY 586 N -3.85 1.65 0.66 2.60 0.00 -0.05 -4.81 107.32 103.52 1lqf s GLY 586 Ca 0.58 1.50 -0.17 0.00 0.00 0.00 0.00 44.72 46.63 1lqf s GLY 586 CO 0.55 2.67 0.87 -1.05 0.00 0.00 0.00 173.10 176.13 1lqf n PRO 587 N 3.34 0.64 -3.82 2.90 -0.02 -1.26 -4.77 135.00 132.02 1lqf n PRO 587 Ca 0.12 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.63 1lqf n PRO 587 Cb 0.37 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1lqf n PRO 587 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1lqf s LEU 588 N -1.93 4.26 0.50 2.45 1.43 -1.26 -1.75 118.68 122.39 1lqf s LEU 588 Ca 0.73 0.23 0.25 0.00 -1.03 0.00 0.00 54.13 54.32 1lqf s LEU 588 Cb -0.38 -3.01 1.33 0.00 0.03 0.00 0.00 46.19 44.16 1lqf s LEU 588 CO 0.50 -0.06 1.91 -0.65 0.23 0.00 0.00 176.35 178.28 1lqf h PRO 589 N 1.59 0.13 -0.02 1.29 0.11 -1.96 0.25 132.00 133.39 1lqf h PRO 589 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lqf h PRO 589 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1lqf h PRO 589 CO 0.65 0.08 -0.34 0.27 -0.21 0.00 0.00 178.00 178.46 1lqf n ASN 590 N -4.37 1.98 -0.60 -2.05 6.94 -1.26 -4.21 115.26 111.68 1lqf n ASN 590 Ca 0.16 -1.48 0.09 0.00 -0.02 0.00 0.00 54.58 53.33 1lqf n ASN 590 Cb 0.77 0.31 0.04 0.00 -2.36 0.00 0.00 39.78 38.54 1lqf n ASN 590 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1lqf n THR 591 N 0.09 0.00 0.00 5.53 -1.04 0.82 -4.59 114.28 115.09 1lqf n THR 591 Ca 0.11 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1lqf n THR 591 Cb 0.46 1.31 0.30 0.00 -1.82 0.00 0.00 70.33 70.59 1lqf n THR 591 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lqf h GLY 593 N 0.82 0.58 0.73 0.00 0.00 -1.90 -2.83 103.07 100.48 1lqf h GLY 593 Ca 0.11 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1lqf h GLY 593 CO 0.01 0.40 0.38 0.45 0.00 0.00 0.00 176.54 177.78 1lqf h HIS 594 N 0.33 0.70 0.04 5.60 3.86 -1.80 -0.88 115.15 123.01 1lqf h HIS 594 Ca 0.09 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1lqf h HIS 594 Cb 0.45 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 1lqf h HIS 594 CO 0.04 0.35 -0.31 0.35 0.86 0.00 0.00 177.93 179.22 1lqf h PHE 595 N 0.71 -0.85 0.00 2.45 3.04 -1.21 -0.35 116.94 120.73 1lqf h PHE 595 Ca 0.29 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 1lqf h PHE 595 Cb 0.15 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1lqf h PHE 595 CO -0.07 -0.41 -0.28 -1.49 -2.02 0.00 0.00 178.31 174.04 1lqf h TRP 596 N -0.49 0.00 -0.29 0.41 4.06 -1.31 -2.14 115.95 116.19 1lqf h TRP 596 Ca 0.05 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.85 1lqf h TRP 596 Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1lqf h TRP 596 CO -0.32 0.28 -0.42 1.49 -3.56 0.00 0.00 178.44 175.91 1lqf h GLU 597 N 0.00 0.73 -0.37 0.49 4.81 -0.56 -1.74 114.58 117.95 1lqf h GLU 597 Ca -0.00 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1lqf h GLU 597 Cb 0.67 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1lqf h GLU 597 CO 0.04 1.02 0.07 1.98 -0.73 0.00 0.00 179.01 181.39 1lqf h MET 598 N 0.59 0.60 -0.42 1.92 4.05 -0.73 0.63 114.93 121.58 1lqf h MET 598 Ca 0.04 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1lqf h MET 598 Cb 0.98 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.66 1lqf h MET 598 CO 0.09 0.65 0.14 0.28 0.23 0.00 0.00 176.91 178.30 1lqf h VAL 599 N 0.44 0.86 0.09 -5.77 2.07 -1.25 0.11 116.25 112.80 1lqf h VAL 599 Ca 0.11 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1lqf h VAL 599 Cb 0.33 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1lqf h VAL 599 CO 0.00 0.06 -0.04 -0.25 0.02 0.00 0.00 177.57 177.36 1lqf h TRP 600 N 0.30 -0.11 0.00 1.57 2.91 -1.06 -1.19 115.95 118.37 1lqf h TRP 600 Ca 0.19 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.15 1lqf h TRP 600 Cb 0.19 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 1lqf h TRP 600 CO -0.16 0.17 -0.31 0.93 -1.03 0.00 0.00 178.44 178.05 1lqf h GLU 601 N -0.39 0.00 -0.00 2.65 5.08 -0.74 -2.78 114.58 118.40 1lqf h GLU 601 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1lqf h GLU 601 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1lqf h GLU 601 CO 0.02 0.31 -0.43 1.04 -1.00 0.00 0.00 179.01 178.95 1lqf n GLN 602 N -4.14 0.26 -3.31 2.33 1.13 0.36 -4.96 117.38 109.04 1lqf n GLN 602 Ca -0.02 -0.15 -0.18 0.00 -1.94 0.00 0.00 57.00 54.71 1lqf n GLN 602 Cb 0.35 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.27 1lqf n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1lqf n LYS 603 N -1.24 -5.97 -2.73 -1.09 5.02 -0.50 -4.15 118.16 107.50 1lqf n LYS 603 Ca 0.08 0.63 -0.32 0.00 -2.02 0.00 0.00 58.31 56.67 1lqf n LYS 603 Cb 0.34 -5.05 -0.05 0.00 -0.02 0.00 0.00 35.03 30.25 1lqf n LYS 603 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1lqf s SER 604 N -3.29 6.72 0.00 4.39 0.01 -0.91 -0.14 113.70 120.48 1lqf s SER 604 Ca 0.42 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1lqf s SER 604 Cb -0.18 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1lqf s SER 604 CO 0.55 -0.42 0.66 0.54 0.41 0.00 0.00 173.24 174.98 1lqf n ARG 605 N -1.05 1.06 -3.83 12.44 1.74 -1.26 -4.86 116.66 120.91 1lqf n ARG 605 Ca 0.05 -0.89 -0.12 0.00 -0.77 0.00 0.00 57.85 56.13 1lqf n ARG 605 Cb 0.54 -0.85 -0.11 0.00 -1.02 0.00 0.00 32.46 31.02 1lqf n ARG 605 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1lqf s GLY 606 N -0.44 -0.08 -0.07 -0.13 0.00 -1.26 -1.10 107.32 104.24 1lqf s GLY 606 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.03 1lqf s GLY 606 CO 0.00 0.20 -0.11 0.14 0.00 0.00 0.00 173.10 173.33 1lqf s VAL 607 N -0.46 1.04 -0.23 1.40 1.01 -0.11 -1.72 120.40 121.33 1lqf s VAL 607 Ca -0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1lqf s VAL 607 Cb -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1lqf s VAL 607 CO 0.01 0.34 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 1lqf s VAL 608 N 0.85 3.56 -0.23 2.92 1.01 0.19 -0.87 120.40 127.83 1lqf s VAL 608 Ca -0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1lqf s VAL 608 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1lqf s VAL 608 CO 0.02 0.41 0.02 -0.32 0.00 0.00 0.00 175.10 175.22 1lqf s MET 609 N 1.50 3.55 0.00 2.72 0.00 0.11 -1.27 119.30 125.92 1lqf s MET 609 Ca 0.06 -0.54 0.16 0.00 0.00 0.00 0.00 55.69 55.37 1lqf s MET 609 Cb -0.14 -3.17 0.07 0.00 0.00 0.00 0.00 34.83 31.59 1lqf s MET 609 CO -0.02 -0.15 0.93 1.28 0.00 0.00 0.00 175.02 177.06 1lqf n LEU 610 N 4.75 2.03 0.00 4.11 4.77 -0.34 -0.24 117.00 132.07 1lqf n LEU 610 Ca -0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1lqf n LEU 610 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1lqf n LEU 610 CO 0.30 0.37 0.00 -0.46 -1.33 0.00 0.00 177.39 176.27 1lqf n ASN 611 N 0.49 1.60 -3.90 -1.43 6.94 -1.26 -4.51 115.26 113.19 1lqf n ASN 611 Ca 0.08 -0.79 -0.13 0.00 -0.02 0.00 0.00 54.58 53.72 1lqf n ASN 611 Cb 0.37 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 1lqf n ASN 611 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1lqf s ARG 612 N -1.27 0.15 0.41 -3.83 3.52 -1.26 -4.80 118.95 111.86 1lqf s ARG 612 Ca 0.00 -0.09 0.25 0.00 -0.13 0.00 0.00 55.73 55.76 1lqf s ARG 612 Cb 0.00 -0.13 1.34 0.00 -1.56 0.00 0.00 34.95 34.60 1lqf s ARG 612 CO 0.00 0.04 1.63 -0.39 -0.81 0.00 0.00 175.30 175.76 1lqf h VAL 613 N 5.08 0.14 -3.72 7.11 -1.51 -1.93 -3.33 116.25 118.10 1lqf h VAL 613 Ca -0.26 -0.04 -0.68 0.00 -1.23 0.00 0.00 66.70 64.49 1lqf h VAL 613 Cb 1.20 0.01 -0.36 0.00 -2.13 0.00 0.00 31.29 30.02 1lqf h VAL 613 CO 0.50 0.02 -0.70 -0.32 -1.23 0.00 0.00 177.57 175.85 1lqf s MET 614 N -5.42 2.09 -0.23 5.19 -2.45 -1.24 0.27 119.30 117.51 1lqf s MET 614 Ca -0.08 -1.53 -0.04 0.00 -1.25 0.00 0.00 55.69 52.78 1lqf s MET 614 Cb 0.31 -3.20 -0.01 0.00 1.25 0.00 0.00 34.83 33.18 1lqf s MET 614 CO 0.81 -0.77 -0.02 -1.21 1.05 0.00 0.00 175.02 174.88 1lqf s GLU 615 N 1.12 3.33 0.00 4.11 2.02 -0.74 -4.45 118.70 124.09 1lqf s GLU 615 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1lqf s GLU 615 Cb -0.20 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1lqf s GLU 615 CO -0.04 -0.24 0.00 1.63 0.02 0.00 0.00 175.26 176.63 1lqf n LYS 616 N 4.81 -0.43 0.00 1.61 5.02 -1.26 -2.15 118.16 125.76 1lqf n LYS 616 Ca -0.17 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1lqf n LYS 616 Cb 0.50 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.51 1lqf n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lqf n GLY 617 N -1.46 1.76 3.44 0.72 0.00 -1.26 -5.13 105.19 103.26 1lqf n GLY 617 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1lqf n GLY 617 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lqf s SER 618 N -2.00 2.83 -1.07 1.61 0.15 -0.91 -5.08 113.70 109.23 1lqf s SER 618 Ca 0.00 -1.21 -0.15 0.00 0.70 0.00 0.00 55.95 55.29 1lqf s SER 618 Cb 0.00 -0.18 0.17 0.00 -1.71 0.00 0.00 66.02 64.30 1lqf s SER 618 CO 0.00 -0.36 1.23 -0.22 1.20 0.00 0.00 173.24 175.09 1lqf s LEU 619 N -3.47 5.36 0.30 3.45 2.96 -1.26 -1.79 118.68 124.23 1lqf s LEU 619 Ca 0.30 -2.72 0.21 0.00 -0.22 0.00 0.00 54.13 51.71 1lqf s LEU 619 Cb 0.04 -2.36 0.14 0.00 0.50 0.00 0.00 46.19 44.51 1lqf s LEU 619 CO 0.13 -0.78 1.31 0.11 -1.32 0.00 0.00 176.35 175.80 1lqf h LYS 620 N 7.73 0.00 -2.63 1.98 1.79 -0.45 -3.47 116.57 121.52 1lqf h LYS 620 Ca 0.23 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.59 1lqf h LYS 620 Cb 0.94 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.37 1lqf h LYS 620 CO 1.12 0.10 -0.14 0.00 -1.08 0.00 0.00 179.45 179.45 1lqf s ALA 622 N -0.32 3.14 -1.00 0.00 0.00 -0.71 -4.56 121.76 118.31 1lqf s ALA 622 Ca -0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 1lqf s ALA 622 Cb -0.03 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 20.17 1lqf s ALA 622 CO 0.03 -0.64 1.32 -1.14 0.00 0.00 0.00 175.76 175.33 1lqf s GLN 623 N -5.11 3.64 -0.13 0.00 2.00 -1.26 -4.82 119.66 113.97 1lqf s GLN 623 Ca 0.54 -1.53 0.13 0.00 -2.00 0.00 0.00 55.36 52.50 1lqf s GLN 623 Cb -0.11 -5.15 0.61 0.00 0.80 0.00 0.00 33.01 29.16 1lqf s GLN 623 CO 0.53 -1.99 1.47 2.48 -0.50 0.00 0.00 175.29 177.27 1lqf n TYR 624 N 7.65 1.40 -3.80 1.67 0.18 -1.26 -4.91 117.16 118.08 1lqf n TYR 624 Ca 0.30 -0.52 -0.12 0.00 1.88 0.00 0.00 57.90 59.44 1lqf n TYR 624 Cb 0.49 -0.30 -0.09 0.00 -0.38 0.00 0.00 39.34 39.06 1lqf n TYR 624 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1lqf s TRP 625 N -2.05 -0.10 0.49 -3.48 -2.14 -1.26 -5.06 118.94 105.35 1lqf s TRP 625 Ca 0.42 0.11 -0.21 0.00 2.66 0.00 0.00 56.10 59.07 1lqf s TRP 625 Cb 0.29 0.04 -0.09 0.00 -3.10 0.00 0.00 33.47 30.61 1lqf s TRP 625 CO 0.17 -0.35 0.84 -2.30 -2.66 0.00 0.00 176.95 172.64 1lqf n PRO 626 N 1.32 0.96 0.00 3.25 -0.02 -1.26 -4.98 135.00 134.27 1lqf n PRO 626 Ca -0.22 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1lqf n PRO 626 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1lqf n PRO 626 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lqf n GLN 627 N -0.10 0.00 -2.06 -0.52 6.02 -1.26 -4.92 117.38 114.54 1lqf n GLN 627 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.70 1lqf n GLN 627 Cb 0.43 -0.24 -0.02 0.00 1.02 0.00 0.00 30.24 31.43 1lqf n GLN 627 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1lqf s LYS 628 N -0.76 4.28 1.26 -1.09 -2.85 -1.26 -4.97 119.74 114.35 1lqf s LYS 628 Ca 0.00 2.26 -0.20 0.00 -1.00 0.00 0.00 55.97 57.03 1lqf s LYS 628 Cb 0.00 -3.02 0.31 0.00 -2.06 0.00 0.00 37.83 33.06 1lqf s LYS 628 CO 0.00 -0.27 1.07 -2.00 0.10 0.00 0.00 175.35 174.25 1lqf s GLU 629 N -1.89 -1.69 -1.65 1.78 2.12 -1.26 -3.08 118.70 113.02 1lqf s GLU 629 Ca 0.50 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1lqf s GLU 629 Cb -0.41 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1lqf s GLU 629 CO 0.54 -4.03 0.00 0.39 -0.54 0.00 0.00 175.26 171.62 1lqf n GLU 630 N -4.99 -1.75 -4.68 4.30 -0.58 -1.26 -4.94 120.64 106.75 1lqf n GLU 630 Ca 0.13 0.93 -0.33 0.00 -0.42 0.00 0.00 57.16 57.48 1lqf n GLU 630 Cb 0.60 -5.52 -0.15 0.00 -0.57 0.00 0.00 31.44 25.80 1lqf n GLU 630 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1lqf s LYS 631 N -4.73 3.32 -0.07 3.49 2.47 -1.18 -5.05 119.74 117.99 1lqf s LYS 631 Ca 0.00 -0.71 0.03 0.00 -1.56 0.00 0.00 55.97 53.73 1lqf s LYS 631 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 37.83 33.72 1lqf s LYS 631 CO 0.00 0.13 -0.15 -1.83 0.16 0.00 0.00 175.35 173.66 1lqf s GLU 632 N 0.55 2.73 -0.12 4.03 -1.05 -1.26 -3.09 118.70 120.49 1lqf s GLU 632 Ca -0.09 -0.71 -0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1lqf s GLU 632 Cb -0.16 -2.42 -0.02 0.00 -0.44 0.00 0.00 34.13 31.09 1lqf s GLU 632 CO 0.04 0.50 -0.12 -1.64 0.95 0.00 0.00 175.26 174.98 1lqf s MET 633 N -0.41 3.33 -0.07 -4.83 -1.94 0.09 -4.94 119.30 110.53 1lqf s MET 633 Ca 0.05 -0.67 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1lqf s MET 633 Cb -0.12 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 1lqf s MET 633 CO 0.02 0.26 -0.15 0.42 -0.01 0.00 0.00 175.02 175.56 1lqf s ILE 634 N 0.25 2.99 -0.62 2.53 1.01 -1.26 -0.09 121.20 126.00 1lqf s ILE 634 Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1lqf s ILE 634 Cb -0.15 -2.18 0.16 0.00 0.01 0.00 0.00 42.46 40.29 1lqf s ILE 634 CO 0.05 0.57 0.43 -0.36 0.00 0.00 0.00 174.94 175.63 1lqf s PHE 635 N -0.44 3.40 0.20 3.97 0.40 0.23 -4.98 117.98 120.77 1lqf s PHE 635 Ca 0.05 -2.73 -0.20 0.00 -0.60 0.00 0.00 56.93 53.45 1lqf s PHE 635 Cb -0.12 -3.18 0.15 0.00 0.51 0.00 0.00 43.02 40.37 1lqf s PHE 635 CO 0.02 -0.84 1.57 0.93 0.70 0.00 0.00 175.22 177.60 1lqf h GLU 636 N 7.02 -0.12 -0.22 0.44 3.07 -1.97 0.39 114.58 123.19 1lqf h GLU 636 Ca -0.02 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1lqf h GLU 636 Cb 0.95 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1lqf h GLU 636 CO 0.71 -0.08 0.16 0.38 -1.40 0.00 0.00 179.01 178.79 1lqf h ASP 637 N -0.12 0.00 -0.00 1.42 2.03 -1.98 -3.04 116.42 114.73 1lqf h ASP 637 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1lqf h ASP 637 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1lqf h ASP 637 CO -0.77 0.00 -0.10 0.35 -1.03 0.00 0.00 179.24 177.70 1lqf n THR 638 N -4.38 0.00 -2.92 1.15 -2.24 -0.75 -5.04 114.28 100.09 1lqf n THR 638 Ca 0.02 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1lqf n THR 638 Cb 0.31 1.04 0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1lqf n THR 638 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lqf n ASN 639 N -0.51 -4.04 -4.07 3.42 3.02 0.13 -4.93 115.26 108.28 1lqf n ASN 639 Ca 0.01 -0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 53.91 1lqf n ASN 639 Cb 0.08 -4.01 -0.12 0.00 -0.61 0.00 0.00 39.78 35.11 1lqf n ASN 639 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lqf s LEU 640 N -5.00 2.20 -0.04 3.41 1.43 -1.16 -1.72 118.68 117.81 1lqf s LEU 640 Ca 0.20 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1lqf s LEU 640 Cb -0.03 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 1lqf s LEU 640 CO 0.55 -0.11 -0.21 -0.75 0.23 0.00 0.00 176.35 176.06 1lqf s LYS 641 N -1.26 2.01 -0.06 1.70 2.20 -0.51 -0.60 119.74 123.21 1lqf s LYS 641 Ca -0.05 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1lqf s LYS 641 Cb -0.08 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 1lqf s LYS 641 CO 0.01 0.38 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.02 1lqf s LEU 642 N -0.25 1.92 -0.08 5.43 2.96 0.87 -1.08 118.68 128.45 1lqf s LEU 642 Ca 0.01 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1lqf s LEU 642 Cb -0.11 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.51 1lqf s LEU 642 CO 0.01 0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.23 1lqf s THR 643 N 0.22 0.80 0.29 3.68 2.01 -0.41 -0.73 115.64 121.51 1lqf s THR 643 Ca -0.10 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1lqf s THR 643 Cb -0.14 -0.82 -0.10 0.00 0.01 0.00 0.00 72.50 71.45 1lqf s THR 643 CO 0.04 0.31 1.31 -0.22 -0.69 0.00 0.00 174.62 175.37 1lqf s LEU 644 N 1.33 4.43 0.00 4.42 2.96 -1.18 -1.64 118.68 129.00 1lqf s LEU 644 Ca -0.03 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1lqf s LEU 644 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1lqf s LEU 644 CO -0.03 -0.53 0.00 -0.38 -1.32 0.00 0.00 176.35 174.09 1lqf n ILE 645 N 1.35 0.00 -3.40 6.68 5.41 0.21 -4.46 119.36 125.14 1lqf n ILE 645 Ca 0.02 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.55 1lqf n ILE 645 Cb 0.42 -0.47 0.04 0.00 -0.71 0.00 0.00 39.64 38.91 1lqf n ILE 645 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1lqf n SER 646 N -0.99 2.35 0.00 4.38 3.41 -1.14 -4.91 113.62 116.73 1lqf n SER 646 Ca 0.00 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1lqf n SER 646 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1lqf n SER 646 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1lqf n GLU 647 N -2.03 0.00 -3.70 4.33 2.13 -1.24 -2.36 120.64 117.77 1lqf n GLU 647 Ca 0.08 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.52 1lqf n GLU 647 Cb 0.60 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.20 1lqf n GLU 647 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1lqf s ASP 648 N 0.00 5.41 -0.49 4.31 2.15 0.89 -4.94 116.67 124.00 1lqf s ASP 648 Ca 0.00 -1.55 -0.25 0.00 0.43 0.00 0.00 52.55 51.18 1lqf s ASP 648 Cb 0.00 -1.90 0.03 0.00 -0.30 0.00 0.00 42.92 40.75 1lqf s ASP 648 CO 0.00 -0.48 0.91 -0.63 -0.17 0.00 0.00 175.17 174.81 1lqf s ILE 649 N 1.33 4.47 0.08 4.11 1.09 -1.26 -1.46 121.20 129.56 1lqf s ILE 649 Ca 0.03 0.57 0.01 0.00 -1.10 0.00 0.00 60.65 60.16 1lqf s ILE 649 Cb -0.22 -4.45 0.01 0.00 -1.06 0.00 0.00 42.46 36.74 1lqf s ILE 649 CO 0.00 -0.91 0.12 0.29 -0.10 0.00 0.00 174.94 174.34 1lqf n LYS 650 N 7.21 0.95 0.24 2.79 4.76 -0.17 -5.01 118.16 128.93 1lqf n LYS 650 Ca 0.04 -0.45 -0.09 0.00 -2.87 0.00 0.00 58.31 54.94 1lqf n LYS 650 Cb 0.48 -0.03 -0.05 0.00 -1.84 0.00 0.00 35.03 33.59 1lqf n LYS 650 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1lqf h SER 651 N 0.01 -0.52 0.52 4.39 0.02 -2.02 -3.36 113.55 112.59 1lqf h SER 651 Ca -0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1lqf h SER 651 Cb 0.18 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1lqf h SER 651 CO 0.06 -0.37 -0.77 -1.22 -1.14 0.00 0.00 176.83 173.38 1lqf n TYR 652 N -3.66 0.23 -4.07 3.45 4.01 -1.26 -4.91 117.16 110.94 1lqf n TYR 652 Ca -0.08 0.07 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1lqf n TYR 652 Cb 0.24 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 38.82 1lqf n TYR 652 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1lqf s TYR 653 N -3.11 0.74 -0.03 -0.72 -0.85 -1.26 0.70 117.35 112.82 1lqf s TYR 653 Ca 0.07 -1.03 0.01 0.00 -0.52 0.00 0.00 57.07 55.59 1lqf s TYR 653 Cb 0.15 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.46 1lqf s TYR 653 CO 0.76 -0.95 -0.00 0.99 -1.52 0.00 0.00 175.55 174.82 1lqf s THR 654 N -3.79 0.19 -0.24 -3.49 2.01 0.76 -1.00 115.64 110.08 1lqf s THR 654 Ca 0.28 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1lqf s THR 654 Cb 0.01 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1lqf s THR 654 CO 0.13 0.14 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.49 1lqf s VAL 655 N 0.89 3.47 0.11 3.82 1.01 -0.53 -1.18 120.40 127.99 1lqf s VAL 655 Ca -0.09 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1lqf s VAL 655 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1lqf s VAL 655 CO -0.01 0.29 -0.08 -0.13 0.00 0.00 0.00 175.10 175.17 1lqf s ARG 656 N 1.46 2.21 -0.14 2.72 0.52 -0.19 -0.08 118.95 125.46 1lqf s ARG 656 Ca 0.04 -1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1lqf s ARG 656 Cb -0.15 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1lqf s ARG 656 CO -0.02 0.51 -0.07 -1.14 0.02 0.00 0.00 175.30 174.60 1lqf s GLN 657 N -2.28 3.47 0.12 3.54 0.74 -0.99 -0.93 119.66 123.32 1lqf s GLN 657 Ca 0.23 -0.57 0.06 0.00 0.05 0.00 0.00 55.36 55.13 1lqf s GLN 657 Cb -0.11 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 1lqf s GLN 657 CO 0.15 0.29 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.53 1lqf s LEU 658 N 0.19 2.39 -0.23 3.68 1.43 -0.59 -0.62 118.68 124.93 1lqf s LEU 658 Ca -0.04 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1lqf s LEU 658 Cb -0.14 -0.58 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1lqf s LEU 658 CO 0.03 -0.12 -0.14 -0.70 0.23 0.00 0.00 176.35 175.66 1lqf s GLU 659 N -2.54 2.57 -0.23 1.70 2.56 -0.65 -1.58 118.70 120.53 1lqf s GLU 659 Ca 0.08 -1.12 -0.08 0.00 0.00 0.00 0.00 54.97 53.85 1lqf s GLU 659 Cb -0.06 -2.78 -0.04 0.00 2.00 0.00 0.00 34.13 33.26 1lqf s GLU 659 CO 0.03 -0.42 0.09 -1.17 -0.56 0.00 0.00 175.26 173.23 1lqf s LEU 660 N 1.19 3.65 -0.09 2.70 2.96 -0.29 -1.28 118.68 127.51 1lqf s LEU 660 Ca -0.03 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1lqf s LEU 660 Cb -0.17 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1lqf s LEU 660 CO -0.08 0.03 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.06 1lqf s GLU 661 N 1.23 2.90 -0.30 1.98 2.12 -0.24 -0.75 118.70 125.63 1lqf s GLU 661 Ca 0.05 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.24 1lqf s GLU 661 Cb -0.14 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 31.96 1lqf s GLU 661 CO 0.04 0.27 1.06 1.21 -0.54 0.00 0.00 175.26 177.30 1lqf s ASN 662 N 0.12 6.95 0.31 -1.70 3.84 0.10 -1.42 114.94 123.14 1lqf s ASN 662 Ca -0.11 1.10 0.26 0.00 0.21 0.00 0.00 52.86 54.31 1lqf s ASN 662 Cb -0.16 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 38.98 1lqf s ASN 662 CO 0.06 -0.83 1.77 -0.07 -2.79 0.00 0.00 177.10 175.24 1lqf h LEU 663 N 9.94 0.00 0.10 3.21 3.38 -1.66 0.42 115.31 130.71 1lqf h LEU 663 Ca -0.20 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 1lqf h LEU 663 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 1lqf h LEU 663 CO 1.02 0.00 -0.98 0.74 0.09 0.00 0.00 178.44 179.30 1lqf h THR 664 N 0.00 1.38 -0.01 0.22 2.02 -1.91 -3.37 112.91 111.25 1lqf h THR 664 Ca 0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1lqf h THR 664 Cb 0.51 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1lqf h THR 664 CO 0.00 0.71 -0.11 0.35 0.37 0.00 0.00 175.52 176.84 1lqf n THR 665 N -3.98 0.00 -2.26 3.16 -2.24 -1.22 -5.00 114.28 102.74 1lqf n THR 665 Ca -0.13 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 1lqf n THR 665 Cb 0.87 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 70.23 1lqf n THR 665 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lqf n GLN 666 N 0.10 -1.81 -3.13 -0.78 6.02 0.15 -4.96 117.38 112.96 1lqf n GLN 666 Ca 0.05 0.88 -0.39 0.00 -0.01 0.00 0.00 57.00 57.52 1lqf n GLN 666 Cb 0.22 -5.46 -0.05 0.00 1.02 0.00 0.00 30.24 25.96 1lqf n GLN 666 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1lqf s GLU 667 N -4.77 4.40 0.20 -1.09 2.12 -1.18 -4.84 118.70 113.53 1lqf s GLU 667 Ca 0.00 0.75 0.09 0.00 0.36 0.00 0.00 54.97 56.17 1lqf s GLU 667 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1lqf s GLU 667 CO 0.00 0.12 -0.07 0.95 -0.54 0.00 0.00 175.26 175.72 1lqf s THR 668 N 0.64 3.29 -0.00 -1.70 -4.23 -1.26 -0.72 115.64 111.65 1lqf s THR 668 Ca 0.34 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1lqf s THR 668 Cb -0.17 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.01 1lqf s THR 668 CO 0.16 -0.16 0.06 -0.13 -0.54 0.00 0.00 174.62 174.01 1lqf s ARG 669 N -2.99 0.29 -0.18 3.99 0.52 0.07 -4.99 118.95 115.65 1lqf s ARG 669 Ca 0.26 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.03 1lqf s ARG 669 Cb -0.08 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 1lqf s ARG 669 CO 0.16 -0.06 0.33 -2.00 0.02 0.00 0.00 175.30 173.76 1lqf s GLU 670 N -0.92 4.22 -0.11 3.54 2.12 -1.26 -1.14 118.70 125.14 1lqf s GLU 670 Ca -0.10 0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1lqf s GLU 670 Cb -0.06 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1lqf s GLU 670 CO 0.00 0.11 -0.18 0.42 -0.54 0.00 0.00 175.26 175.07 1lqf s ILE 671 N 0.85 2.58 -0.17 -3.70 -1.09 -0.62 -4.82 121.20 114.23 1lqf s ILE 671 Ca 0.17 -0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 57.63 1lqf s ILE 671 Cb -0.14 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 1lqf s ILE 671 CO 0.06 0.54 0.25 -0.76 -1.23 0.00 0.00 174.94 173.80 1lqf s LEU 672 N 0.32 4.24 -0.33 2.97 1.43 -0.26 -1.54 118.68 125.53 1lqf s LEU 672 Ca -0.14 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1lqf s LEU 672 Cb -0.17 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.79 1lqf s LEU 672 CO 0.07 0.13 0.07 -2.28 0.23 0.00 0.00 176.35 174.58 1lqf s HIS 673 N 0.36 3.25 -0.35 0.29 2.46 -0.10 -0.94 115.29 120.26 1lqf s HIS 673 Ca 0.15 -1.53 -0.12 0.00 0.47 0.00 0.00 55.06 54.02 1lqf s HIS 673 Cb -0.13 -2.22 -0.01 0.00 -0.13 0.00 0.00 32.58 30.09 1lqf s HIS 673 CO 0.03 -0.74 0.23 -0.06 -2.47 0.00 0.00 174.74 171.72 1lqf s PHE 674 N 1.36 3.22 -0.34 3.88 0.40 -0.05 -1.02 117.98 125.44 1lqf s PHE 674 Ca -0.02 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1lqf s PHE 674 Cb -0.19 -2.47 0.08 0.00 0.51 0.00 0.00 43.02 40.95 1lqf s PHE 674 CO 0.02 -0.43 0.06 -1.58 0.70 0.00 0.00 175.22 173.99 1lqf s HIS 675 N 1.68 3.45 -0.23 0.36 2.46 -0.32 0.08 115.29 122.77 1lqf s HIS 675 Ca 0.05 -2.26 -0.29 0.00 0.47 0.00 0.00 55.06 53.03 1lqf s HIS 675 Cb -0.18 -2.57 0.01 0.00 -0.13 0.00 0.00 32.58 29.71 1lqf s HIS 675 CO 0.09 -0.89 1.06 -0.47 -2.47 0.00 0.00 174.74 172.07 1lqf s TYR 676 N 1.15 3.28 -2.88 3.88 5.04 0.67 -0.17 117.35 128.31 1lqf s TYR 676 Ca 0.01 1.40 0.23 0.00 -2.44 0.00 0.00 57.07 56.28 1lqf s TYR 676 Cb -0.21 -3.33 0.21 0.00 0.35 0.00 0.00 41.96 38.99 1lqf s TYR 676 CO -0.03 -0.62 1.26 0.25 -1.34 0.00 0.00 175.55 175.07 1lqf n THR 677 N 5.38 0.06 -2.75 4.34 -2.24 0.22 -4.27 114.28 115.02 1lqf n THR 677 Ca 0.12 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1lqf n THR 677 Cb 0.46 1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 70.11 1lqf n THR 677 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lqf n THR 678 N 1.34 1.99 -3.76 4.28 -2.24 -1.12 -4.97 114.28 109.80 1lqf n THR 678 Ca 0.14 -4.74 -0.30 0.00 -2.27 0.00 0.00 64.05 56.88 1lqf n THR 678 Cb 0.59 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.86 1lqf n THR 678 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1lqf s TRP 679 N -3.29 2.12 0.37 4.78 -0.11 -1.26 -3.73 118.94 117.81 1lqf s TRP 679 Ca 0.43 -2.25 -0.28 0.00 1.22 0.00 0.00 56.10 55.22 1lqf s TRP 679 Cb 0.37 -1.97 -0.11 0.00 -1.50 0.00 0.00 33.47 30.26 1lqf s TRP 679 CO -0.12 -0.84 1.50 -2.14 -4.62 0.00 0.00 176.95 170.74 1lqf s PRO 680 N 0.88 4.11 0.22 5.86 0.02 -1.26 -4.72 135.00 140.11 1lqf s PRO 680 Ca 0.14 2.58 -0.32 0.00 0.02 0.00 0.00 61.00 63.42 1lqf s PRO 680 Cb -0.21 -2.97 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 1lqf s PRO 680 CO -0.10 -0.55 1.70 0.16 -0.33 0.00 0.00 177.00 177.88 1lqf s ASP 681 N -0.07 6.38 -0.30 2.53 -4.77 -1.26 -0.23 116.67 118.94 1lqf s ASP 681 Ca 0.54 2.88 0.00 0.00 -3.30 0.00 0.00 52.55 52.67 1lqf s ASP 681 Cb -0.47 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 38.76 1lqf s ASP 681 CO 0.62 -0.97 0.00 0.49 0.70 0.00 0.00 175.17 176.01 1lqf n PHE 682 N 3.71 0.00 -2.93 2.11 3.01 -1.26 -4.98 117.46 117.12 1lqf n PHE 682 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1lqf n PHE 682 Cb 0.35 -1.32 0.00 0.00 -0.01 0.00 0.00 39.48 38.51 1lqf n PHE 682 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lqf n GLY 683 N -1.08 3.96 3.60 1.37 0.00 0.68 -4.93 105.19 108.80 1lqf n GLY 683 Ca -0.03 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.62 1lqf n GLY 683 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lqf s VAL 684 N 0.85 1.44 0.53 1.61 -7.23 -1.26 -4.82 120.40 111.52 1lqf s VAL 684 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1lqf s VAL 684 Cb 0.00 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.20 1lqf s VAL 684 CO 0.00 0.00 1.10 -2.84 -0.31 0.00 0.00 175.10 173.05 1lqf s PRO 685 N -3.79 3.49 0.47 4.82 0.02 -1.26 -4.43 135.00 134.30 1lqf s PRO 685 Ca 0.27 1.52 0.40 0.00 0.02 0.00 0.00 61.00 63.21 1lqf s PRO 685 Cb 0.07 -2.03 1.50 0.00 0.02 0.00 0.00 34.50 34.05 1lqf s PRO 685 CO 0.13 -0.72 1.42 -1.91 -0.33 0.00 0.00 177.00 175.59 1lqf n GLU 686 N -1.23 -0.01 -3.65 5.54 0.00 -1.24 -4.60 120.64 115.44 1lqf n GLU 686 Ca 0.11 1.05 -0.02 0.00 0.00 0.00 0.00 57.16 58.30 1lqf n GLU 686 Cb 0.51 -2.27 -0.03 0.00 0.00 0.00 0.00 31.44 29.65 1lqf n GLU 686 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1lqf s SER 687 N -4.04 -0.01 0.23 4.31 1.04 -1.26 -4.99 113.70 108.98 1lqf s SER 687 Ca -0.05 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 1lqf s SER 687 Cb 0.26 0.01 0.24 0.00 0.10 0.00 0.00 66.02 66.62 1lqf s SER 687 CO 0.79 -0.01 1.89 -0.65 0.98 0.00 0.00 173.24 176.23 1lqf h PRO 688 N 2.01 1.07 -0.40 4.02 0.11 -1.98 -1.74 132.00 135.09 1lqf h PRO 688 Ca -0.05 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.06 1lqf h PRO 688 Cb 1.16 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 1lqf h PRO 688 CO 0.20 0.71 0.08 0.00 -0.21 0.00 0.00 178.00 178.78 1lqf h ALA 689 N 1.34 0.43 -0.40 -0.75 0.00 -1.97 0.65 119.26 118.56 1lqf h ALA 689 Ca 0.33 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1lqf h ALA 689 Cb -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1lqf h ALA 689 CO -0.10 -0.32 -0.15 0.66 0.00 0.00 0.00 179.25 179.34 1lqf h SER 690 N 0.21 0.73 0.67 0.00 4.64 -1.86 -0.49 113.55 117.45 1lqf h SER 690 Ca 0.19 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1lqf h SER 690 Cb 0.23 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1lqf h SER 690 CO -0.25 0.89 -0.32 0.15 -0.87 0.00 0.00 176.83 176.43 1lqf h PHE 691 N 0.66 -0.83 -0.15 4.77 3.57 -0.39 -2.22 116.94 122.34 1lqf h PHE 691 Ca 0.11 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1lqf h PHE 691 Cb 0.62 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1lqf h PHE 691 CO 0.03 -0.48 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.41 1lqf h LEU 692 N -1.06 -0.49 -0.65 0.59 3.38 0.31 0.31 115.31 117.71 1lqf h LEU 692 Ca -0.09 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1lqf h LEU 692 Cb 0.72 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1lqf h LEU 692 CO 0.15 -0.20 -0.20 -1.13 0.09 0.00 0.00 178.44 177.15 1lqf h ASN 693 N -0.18 -0.73 -0.34 -0.43 -0.00 -1.11 0.51 115.58 113.31 1lqf h ASN 693 Ca 0.10 0.20 0.04 0.00 -0.00 0.00 0.00 56.30 56.65 1lqf h ASN 693 Cb 0.33 0.44 -0.04 0.00 -0.00 0.00 0.00 38.32 39.06 1lqf h ASN 693 CO -0.26 -0.24 0.09 0.15 -0.00 0.00 0.00 177.43 177.17 1lqf h PHE 694 N -0.04 0.15 0.26 0.67 3.57 -0.55 -0.07 116.94 120.94 1lqf h PHE 694 Ca 0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1lqf h PHE 694 Cb 0.50 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1lqf h PHE 694 CO -0.56 0.05 -0.16 1.25 -2.23 0.00 0.00 178.31 176.66 1lqf h LEU 695 N 0.22 -0.39 -1.19 0.59 5.85 0.75 -0.67 115.31 120.46 1lqf h LEU 695 Ca 0.16 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1lqf h LEU 695 Cb 0.15 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1lqf h LEU 695 CO -0.19 -0.26 0.57 -0.26 -0.34 0.00 0.00 178.44 177.97 1lqf h PHE 696 N -0.40 0.98 -0.70 1.25 -1.00 -0.83 0.35 116.94 116.58 1lqf h PHE 696 Ca -0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1lqf h PHE 696 Cb 0.33 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1lqf h PHE 696 CO -0.09 0.48 0.44 0.87 -1.61 0.00 0.00 178.31 178.41 1lqf h LYS 697 N 0.93 0.94 -0.13 1.51 1.79 -0.30 0.38 116.57 121.69 1lqf h LYS 697 Ca 0.39 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.66 1lqf h LYS 697 Cb 0.30 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1lqf h LYS 697 CO -0.16 0.64 -0.45 0.28 -1.08 0.00 0.00 179.45 178.68 1lqf h VAL 698 N 0.96 1.36 0.29 0.50 2.07 0.42 -3.20 116.25 118.65 1lqf h VAL 698 Ca 0.26 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1lqf h VAL 698 Cb -0.08 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1lqf h VAL 698 CO -0.05 0.53 -0.15 0.03 0.02 0.00 0.00 177.57 177.94 1lqf h ARG 699 N 0.16 -0.40 0.00 1.57 3.08 0.44 -2.98 114.38 116.25 1lqf h ARG 699 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1lqf h ARG 699 Cb 1.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1lqf h ARG 699 CO 0.10 -0.26 0.00 1.05 -1.07 0.00 0.00 179.97 179.78 1lqf h GLU 700 N -0.41 0.00 0.00 0.04 4.11 -0.36 -1.22 114.58 116.74 1lqf h GLU 700 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1lqf h GLU 700 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1lqf h GLU 700 CO 0.05 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.00 1lqf n SER 701 N -2.81 0.00 0.00 3.06 3.41 -1.13 -4.87 113.62 111.28 1lqf n SER 701 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1lqf n SER 701 Cb 0.07 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1lqf n SER 701 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqf n GLY 702 N 0.88 0.96 0.29 5.00 0.00 -0.46 -4.86 105.19 107.00 1lqf n GLY 702 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 1lqf n GLY 702 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lqf h SER 703 N 0.00 0.00 0.15 1.61 0.02 -1.76 0.32 113.55 113.89 1lqf h SER 703 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lqf h SER 703 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1lqf h SER 703 CO 0.00 0.05 -0.17 0.18 -1.14 0.00 0.00 176.83 175.75 1lqf n LEU 704 N -3.39 1.22 -4.71 5.07 4.77 -1.26 -4.36 117.00 114.34 1lqf n LEU 704 Ca -0.02 -0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 55.18 1lqf n LEU 704 Cb 0.19 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1lqf n LEU 704 CO 0.26 0.22 1.03 -0.24 -1.33 0.00 0.00 177.39 177.33 1lqf n SER 705 N -0.35 3.09 0.00 -1.43 2.88 0.10 -4.88 113.62 113.03 1lqf n SER 705 Ca 0.14 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.96 1lqf n SER 705 Cb 0.36 -1.50 0.48 0.00 -0.75 0.00 0.00 64.21 62.80 1lqf n SER 705 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1lqf n PRO 706 N 1.33 0.24 0.00 -1.46 -0.04 -1.26 -1.97 135.00 131.84 1lqf n PRO 706 Ca 0.07 0.11 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 1lqf n PRO 706 Cb 0.35 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.16 1lqf n PRO 706 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1lqf n GLU 707 N -1.32 0.75 -4.58 0.54 0.28 -1.26 -4.82 120.64 110.24 1lqf n GLU 707 Ca 0.09 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 1lqf n GLU 707 Cb 0.17 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.46 1lqf n GLU 707 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1lqf s HIS 708 N -2.26 2.03 0.59 -1.84 3.76 -0.83 -5.13 115.29 111.60 1lqf s HIS 708 Ca 0.39 -0.85 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1lqf s HIS 708 Cb 0.21 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1lqf s HIS 708 CO 0.41 0.19 1.03 0.20 -0.85 0.00 0.00 174.74 175.73 1lqf s GLY 709 N -3.89 1.99 0.37 -2.22 0.00 0.80 -4.96 107.32 99.39 1lqf s GLY 709 Ca 0.18 0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.86 1lqf s GLY 709 CO 0.10 0.53 1.29 -1.55 0.00 0.00 0.00 173.10 173.47 1lqf n PRO 710 N -2.14 2.09 -2.09 2.90 -0.04 -1.26 -4.42 135.00 130.03 1lqf n PRO 710 Ca 0.08 0.73 -0.37 0.00 -0.04 0.00 0.00 63.50 63.90 1lqf n PRO 710 Cb 0.53 -2.35 0.02 0.00 -0.04 0.00 0.00 33.50 31.66 1lqf n PRO 710 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lqf s VAL 711 N -1.13 2.76 -0.24 0.52 0.11 -1.26 -4.48 120.40 116.68 1lqf s VAL 711 Ca 0.57 0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 60.00 1lqf s VAL 711 Cb -0.55 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1lqf s VAL 711 CO 0.61 -0.05 0.35 -0.69 -3.33 0.00 0.00 175.10 171.99 1lqf s VAL 712 N -1.55 5.21 -0.05 2.04 1.01 -0.70 -1.72 120.40 124.64 1lqf s VAL 712 Ca 0.71 0.56 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1lqf s VAL 712 Cb -0.31 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1lqf s VAL 712 CO 0.35 0.21 -0.20 -0.69 0.00 0.00 0.00 175.10 174.78 1lqf s VAL 713 N 1.69 2.58 0.18 2.92 1.01 0.12 0.54 120.40 129.43 1lqf s VAL 713 Ca 0.15 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1lqf s VAL 713 Cb -0.15 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.32 1lqf s VAL 713 CO 0.09 0.58 0.66 -1.38 0.00 0.00 0.00 175.10 175.05 1lqf s HIS 714 N -0.48 -0.43 0.00 5.22 -3.43 -0.39 -1.56 115.29 114.21 1lqf s HIS 714 Ca 0.06 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.48 1lqf s HIS 714 Cb -0.12 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1lqf s HIS 714 CO 0.01 -0.92 0.00 0.00 -2.00 0.00 0.00 174.74 171.83 1lqf n SER 716 N 0.00 1.85 -0.01 0.00 2.88 -1.26 -1.18 113.62 115.91 1lqf n SER 716 Ca 0.00 0.46 0.09 0.00 -1.33 0.00 0.00 58.87 58.10 1lqf n SER 716 Cb 0.00 -0.94 -0.14 0.00 -0.75 0.00 0.00 64.21 62.39 1lqf n SER 716 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lqf n ALA 717 N -3.53 3.14 -2.83 -1.46 0.00 -1.26 -0.87 120.51 113.70 1lqf n ALA 717 Ca -0.28 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.62 1lqf n ALA 717 Cb 0.60 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 19.41 1lqf n ALA 717 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqf n GLY 718 N 1.42 0.50 0.24 0.00 0.00 -1.25 -3.90 105.19 102.20 1lqf n GLY 718 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1lqf n GLY 718 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1lqf n ILE 719 N -3.26 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 104.45 1lqf n ILE 719 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1lqf n ILE 719 Cb 0.52 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1lqf n ILE 719 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lqf n GLY 720 N 1.21 -0.92 0.29 3.28 0.00 -1.26 -0.51 105.19 107.29 1lqf n GLY 720 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1lqf n GLY 720 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lqf h ARG 721 N 0.00 1.02 -0.40 1.61 3.08 -1.95 -2.50 114.38 115.25 1lqf h ARG 721 Ca 0.00 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1lqf h ARG 721 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1lqf h ARG 721 CO 0.00 0.97 0.16 0.77 -1.07 0.00 0.00 179.97 180.80 1lqf h SER 722 N 0.93 0.55 -0.57 7.04 0.02 -1.88 -0.98 113.55 118.64 1lqf h SER 722 Ca 0.18 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1lqf h SER 722 Cb 0.47 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1lqf h SER 722 CO 0.02 0.57 0.38 1.23 -1.14 0.00 0.00 176.83 177.89 1lqf h GLY 723 N 0.50 0.77 0.81 -3.77 0.00 -1.28 -0.15 103.07 99.95 1lqf h GLY 723 Ca 0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1lqf h GLY 723 CO -0.01 0.25 -0.15 -0.84 0.00 0.00 0.00 176.54 175.79 1lqf h THR 724 N 0.70 1.32 0.25 4.70 2.02 -0.98 -1.48 112.91 119.44 1lqf h THR 724 Ca 0.22 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1lqf h THR 724 Cb 0.03 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1lqf h THR 724 CO -0.06 0.38 -0.21 0.15 0.37 0.00 0.00 175.52 176.15 1lqf h PHE 725 N 0.12 -0.56 -0.54 3.16 3.57 -0.47 -2.08 116.94 120.13 1lqf h PHE 725 Ca 0.04 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1lqf h PHE 725 Cb 0.67 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1lqf h PHE 725 CO 0.07 -0.32 0.02 0.00 -2.23 0.00 0.00 178.31 175.85 1lqf h LEU 727 N 0.85 0.03 0.28 0.00 5.85 -1.13 0.14 115.31 121.33 1lqf h LEU 727 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1lqf h LEU 727 Cb 0.47 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1lqf h LEU 727 CO 0.02 0.03 -0.28 0.00 -0.34 0.00 0.00 178.44 177.87 1lqf h ALA 728 N 1.03 -0.58 -0.01 1.25 0.00 -1.25 0.14 119.26 119.83 1lqf h ALA 728 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1lqf h ALA 728 Cb 0.01 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1lqf h ALA 728 CO -0.02 -0.86 -0.44 0.22 0.00 0.00 0.00 179.25 178.16 1lqf h ASP 729 N -0.59 -1.33 -0.62 0.00 3.58 -1.15 0.69 116.42 117.00 1lqf h ASP 729 Ca -0.01 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.68 1lqf h ASP 729 Cb 0.54 0.52 -0.06 0.00 1.72 0.00 0.00 39.33 42.05 1lqf h ASP 729 CO -0.05 -0.47 0.29 0.74 -2.88 0.00 0.00 179.24 176.87 1lqf h THR 730 N -0.58 0.86 -0.55 2.25 2.02 -0.50 -1.20 112.91 115.21 1lqf h THR 730 Ca 0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1lqf h THR 730 Cb 0.66 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1lqf h THR 730 CO -0.33 0.10 0.35 0.00 0.37 0.00 0.00 175.52 176.00 1lqf h LEU 732 N 0.75 0.09 0.49 0.00 3.38 -0.10 -1.31 115.31 118.61 1lqf h LEU 732 Ca 0.20 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1lqf h LEU 732 Cb -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1lqf h LEU 732 CO -0.04 0.10 -0.24 -0.07 0.09 0.00 0.00 178.44 178.28 1lqf h LEU 733 N 0.10 -0.56 -1.43 1.67 3.38 -0.20 -2.92 115.31 115.36 1lqf h LEU 733 Ca 0.03 -0.05 0.34 0.00 0.09 0.00 0.00 57.88 58.28 1lqf h LEU 733 Cb 0.04 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1lqf h LEU 733 CO -0.00 -0.16 0.76 -0.07 0.09 0.00 0.00 178.44 179.06 1lqf h LEU 734 N -1.07 0.33 -0.13 1.67 3.38 -0.62 0.15 115.31 119.02 1lqf h LEU 734 Ca -0.07 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1lqf h LEU 734 Cb 0.58 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1lqf h LEU 734 CO 0.11 -0.03 -0.12 0.24 0.09 0.00 0.00 178.44 178.73 1lqf h MET 735 N 0.24 0.32 -0.55 1.13 2.86 -1.25 -1.59 114.93 116.09 1lqf h MET 735 Ca 0.69 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 58.14 1lqf h MET 735 Cb 2.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 1lqf h MET 735 CO -0.32 0.70 0.26 0.22 1.06 0.00 0.00 176.91 178.83 1lqf h ASP 736 N -0.06 0.69 -0.02 1.22 1.82 -0.57 -3.19 116.42 116.31 1lqf h ASP 736 Ca 0.02 -0.07 -0.10 0.00 -0.39 0.00 0.00 57.03 56.50 1lqf h ASP 736 Cb 0.64 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.48 1lqf h ASP 736 CO 0.03 0.59 -0.38 0.50 -1.61 0.00 0.00 179.24 178.37 1lqf h LYS 737 N 0.77 0.29 -7.18 0.28 3.64 -1.07 -3.47 116.57 109.83 1lqf h LYS 737 Ca 0.19 -0.29 -0.49 0.00 -1.27 0.00 0.00 60.65 58.79 1lqf h LYS 737 Cb 0.09 0.08 0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1lqf h LYS 737 CO -0.03 0.98 0.38 1.03 -2.27 0.00 0.00 179.45 179.54 1lqf s ARG 738 N -3.27 3.35 0.10 1.90 0.52 -0.60 -4.98 118.95 115.96 1lqf s ARG 738 Ca -0.15 1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 56.13 1lqf s ARG 738 Cb 0.02 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.40 1lqf s ARG 738 CO 0.78 -0.79 1.54 1.57 0.02 0.00 0.00 175.30 178.42 1lqf h LYS 739 N 0.54 0.53 -4.48 3.54 5.09 -1.90 -3.38 116.57 116.52 1lqf h LYS 739 Ca -0.47 -0.17 -0.71 0.00 0.09 0.00 0.00 60.65 59.39 1lqf h LYS 739 Cb 1.22 -0.05 -0.30 0.00 0.10 0.00 0.00 32.23 33.21 1lqf h LYS 739 CO 0.57 0.67 -0.50 0.34 -2.09 0.00 0.00 179.45 178.44 1lqf s ASP 740 N -6.02 5.50 0.00 7.07 2.15 -1.26 -4.98 116.67 119.13 1lqf s ASP 740 Ca -0.13 -1.60 0.05 0.00 0.43 0.00 0.00 52.55 51.30 1lqf s ASP 740 Cb 0.08 -1.94 0.23 0.00 -0.30 0.00 0.00 42.92 40.99 1lqf s ASP 740 CO 0.76 -0.52 1.15 -0.81 -0.17 0.00 0.00 175.17 175.58 1lqf n PRO 741 N 4.83 0.01 0.08 4.34 -0.04 -1.26 -2.88 135.00 140.08 1lqf n PRO 741 Ca -0.09 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1lqf n PRO 741 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 1lqf n PRO 741 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1lqf h SER 742 N 0.00 0.31 0.00 3.54 0.02 -1.94 -3.34 113.55 112.14 1lqf h SER 742 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1lqf h SER 742 Cb 0.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1lqf h SER 742 CO 0.00 1.28 0.21 -1.54 -1.14 0.00 0.00 176.83 175.64 1lqf n SER 743 N -3.45 0.07 -4.62 3.07 3.41 -1.14 -4.58 113.62 106.38 1lqf n SER 743 Ca -0.09 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.45 1lqf n SER 743 Cb 1.01 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1lqf n SER 743 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1lqf s VAL 744 N -2.75 3.90 -0.64 -3.33 1.01 -1.25 -4.97 120.40 112.37 1lqf s VAL 744 Ca -0.00 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 1lqf s VAL 744 Cb 0.01 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.52 1lqf s VAL 744 CO 0.02 -0.48 0.70 -0.62 0.00 0.00 0.00 175.10 174.72 1lqf s ASP 745 N 3.73 6.31 0.28 3.32 -1.08 -1.26 -4.94 116.67 123.03 1lqf s ASP 745 Ca 0.64 -1.76 0.02 0.00 -0.52 0.00 0.00 52.55 50.93 1lqf s ASP 745 Cb -0.19 -2.27 0.63 0.00 -1.46 0.00 0.00 42.92 39.62 1lqf s ASP 745 CO 0.28 -0.97 1.75 0.40 0.52 0.00 0.00 175.17 177.15 1lqf h ILE 746 N 5.74 0.65 -0.37 4.11 1.08 -1.95 -1.30 117.51 125.47 1lqf h ILE 746 Ca -0.20 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1lqf h ILE 746 Cb 1.08 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1lqf h ILE 746 CO 1.04 0.11 0.06 0.50 -0.69 0.00 0.00 178.15 179.16 1lqf h LYS 747 N 0.59 0.61 -0.56 2.37 3.64 -2.00 -2.08 116.57 119.13 1lqf h LYS 747 Ca 0.51 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1lqf h LYS 747 Cb 0.82 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1lqf h LYS 747 CO -0.41 0.68 0.28 -0.22 -2.27 0.00 0.00 179.45 177.50 1lqf h LYS 748 N 0.45 0.80 -0.28 1.90 3.64 -1.69 -2.23 116.57 119.16 1lqf h LYS 748 Ca 0.11 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1lqf h LYS 748 Cb 0.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1lqf h LYS 748 CO 0.01 0.65 0.15 0.28 -2.27 0.00 0.00 179.45 178.27 1lqf h VAL 749 N 0.76 1.13 -0.56 2.00 2.07 -1.28 -0.82 116.25 119.55 1lqf h VAL 749 Ca 0.19 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1lqf h VAL 749 Cb 0.10 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1lqf h VAL 749 CO -0.03 0.13 0.23 0.25 0.02 0.00 0.00 177.57 178.17 1lqf h LEU 750 N 0.34 0.73 -0.45 2.57 5.85 -1.27 0.18 115.31 123.26 1lqf h LEU 750 Ca 0.10 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1lqf h LEU 750 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1lqf h LEU 750 CO -0.02 0.65 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.37 1lqf h LEU 751 N 0.79 1.02 -0.46 2.25 3.38 -1.18 0.21 115.31 121.32 1lqf h LEU 751 Ca 0.19 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1lqf h LEU 751 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1lqf h LEU 751 CO -0.02 1.23 0.23 -0.08 0.09 0.00 0.00 178.44 179.89 1lqf h GLU 752 N 0.83 0.66 -0.67 1.13 4.81 -0.31 -2.44 114.58 118.58 1lqf h GLU 752 Ca 0.09 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1lqf h GLU 752 Cb 0.88 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1lqf h GLU 752 CO 0.08 0.56 0.20 1.98 -0.73 0.00 0.00 179.01 181.10 1lqf h MET 753 N 0.60 1.03 0.00 1.92 4.05 -0.44 -1.93 114.93 120.15 1lqf h MET 753 Ca 0.16 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1lqf h MET 753 Cb 0.11 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1lqf h MET 753 CO -0.02 0.88 0.00 0.54 0.23 0.00 0.00 176.91 178.54 1lqf n ARG 754 N -4.26 0.02 0.29 0.39 1.74 0.71 -1.95 116.66 113.61 1lqf n ARG 754 Ca 0.05 0.29 0.17 0.00 -0.77 0.00 0.00 57.85 57.60 1lqf n ARG 754 Cb 0.22 -1.55 0.88 0.00 -1.02 0.00 0.00 32.46 30.99 1lqf n ARG 754 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1lqf h LYS 755 N 0.00 0.00 0.00 5.56 1.57 -0.90 -3.13 116.57 119.67 1lqf h LYS 755 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1lqf h LYS 755 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1lqf h LYS 755 CO 0.00 0.05 -2.12 1.19 -0.57 0.00 0.00 179.45 178.00 1lqf n PHE 756 N -3.39 0.04 -3.76 -1.35 3.01 -0.82 -4.97 117.46 106.23 1lqf n PHE 756 Ca -0.02 0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 1lqf n PHE 756 Cb 0.19 -0.72 -0.09 0.00 -0.01 0.00 0.00 39.48 38.85 1lqf n PHE 756 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1lqf s ARG 757 N -3.09 0.58 0.58 -1.08 3.52 -1.18 -4.51 118.95 113.76 1lqf s ARG 757 Ca -0.09 0.04 -0.14 0.00 -0.13 0.00 0.00 55.73 55.41 1lqf s ARG 757 Cb 0.11 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.71 1lqf s ARG 757 CO 0.87 -0.14 1.01 0.00 -0.81 0.00 0.00 175.30 176.24 1lqf s MET 758 N -0.81 3.69 -1.14 5.12 0.23 -1.26 -4.37 119.30 120.76 1lqf s MET 758 Ca -0.09 0.89 0.00 0.00 -1.03 0.00 0.00 55.69 55.46 1lqf s MET 758 Cb -0.04 -2.10 0.00 0.00 -1.53 0.00 0.00 34.83 31.16 1lqf s MET 758 CO 0.03 -0.49 0.00 0.41 -2.03 0.00 0.00 175.02 172.94 1lqf n GLY 759 N -2.06 0.27 3.67 3.16 0.00 -1.26 -4.87 105.19 104.11 1lqf n GLY 759 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1lqf n GLY 759 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lqf n LEU 760 N -2.32 4.13 -1.01 0.99 4.77 -1.26 -4.14 117.00 118.16 1lqf n LEU 760 Ca -0.13 0.93 -0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1lqf n LEU 760 Cb 0.51 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1lqf n LEU 760 CO 0.17 0.19 -0.00 -0.38 -1.33 0.00 0.00 177.39 176.05 1lqf n ILE 761 N 5.29 -2.06 0.68 -0.08 5.41 0.34 -4.92 119.36 124.03 1lqf n ILE 761 Ca 0.19 0.01 0.11 0.00 1.00 0.00 0.00 62.75 64.07 1lqf n ILE 761 Cb 0.40 -3.02 0.03 0.00 -0.71 0.00 0.00 39.64 36.34 1lqf n ILE 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lqf n GLN 762 N 0.01 0.21 -4.26 0.38 1.13 -1.26 -4.90 117.38 108.69 1lqf n GLN 762 Ca -0.00 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.91 1lqf n GLN 762 Cb 0.00 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 28.68 1lqf n GLN 762 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lqf s THR 763 N -3.15 0.68 0.30 5.09 -4.23 -1.26 -5.01 115.64 108.06 1lqf s THR 763 Ca 0.05 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1lqf s THR 763 Cb 0.15 -2.23 0.07 0.00 1.34 0.00 0.00 72.50 71.83 1lqf s THR 763 CO 0.80 -0.38 1.75 0.00 -0.54 0.00 0.00 174.62 176.26 1lqf h ALA 764 N 2.62 1.16 0.00 3.99 0.00 -1.93 -2.77 119.26 122.33 1lqf h ALA 764 Ca -0.37 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.05 1lqf h ALA 764 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1lqf h ALA 764 CO 0.62 0.55 -0.45 0.22 0.00 0.00 0.00 179.25 180.19 1lqf h ASP 765 N 0.00 0.00 0.54 0.00 3.58 -1.96 -1.31 116.42 117.27 1lqf h ASP 765 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1lqf h ASP 765 Cb 0.83 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 1lqf h ASP 765 CO 0.06 0.45 -0.65 1.56 -2.88 0.00 0.00 179.24 177.77 1lqf h GLN 766 N 0.00 0.10 -0.32 0.28 4.20 -1.82 -0.29 115.11 117.26 1lqf h GLN 766 Ca -0.00 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 1lqf h GLN 766 Cb 1.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1lqf h GLN 766 CO 0.06 0.72 -0.27 1.25 -0.67 0.00 0.00 178.83 179.92 1lqf h LEU 767 N 0.07 0.78 0.24 1.46 5.85 -1.23 -2.22 115.31 120.27 1lqf h LEU 767 Ca -0.01 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1lqf h LEU 767 Cb 1.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1lqf h LEU 767 CO 0.09 1.07 -0.17 -0.09 -0.34 0.00 0.00 178.44 179.01 1lqf h ARG 768 N 0.50 -0.39 -0.90 1.25 2.43 -0.97 -2.51 114.38 113.80 1lqf h ARG 768 Ca 0.06 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.45 1lqf h ARG 768 Cb 0.83 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.36 1lqf h ARG 768 CO 0.07 -0.26 0.45 0.35 -1.51 0.00 0.00 179.97 179.07 1lqf h PHE 769 N -0.40 0.77 0.66 2.20 3.57 -0.98 0.21 116.94 122.97 1lqf h PHE 769 Ca -0.02 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1lqf h PHE 769 Cb 0.35 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1lqf h PHE 769 CO -0.10 0.08 -0.38 0.77 -2.23 0.00 0.00 178.31 176.44 1lqf h SER 770 N 0.53 -0.94 -0.98 0.41 0.02 -1.00 1.00 113.55 112.59 1lqf h SER 770 Ca 0.53 0.05 0.29 0.00 -0.84 0.00 0.00 61.79 61.82 1lqf h SER 770 Cb 0.91 0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.57 1lqf h SER 770 CO -0.45 -0.60 0.53 0.22 -1.14 0.00 0.00 176.83 175.39 1lqf h TYR 771 N -0.97 0.86 0.57 3.45 3.20 -0.88 0.16 116.97 123.37 1lqf h TYR 771 Ca -0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1lqf h TYR 771 Cb 0.77 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.82 1lqf h TYR 771 CO -0.02 -0.13 -0.28 1.25 -1.64 0.00 0.00 178.16 177.34 1lqf h LEU 772 N 0.36 -0.65 -0.29 2.82 5.85 0.81 -2.38 115.31 121.83 1lqf h LEU 772 Ca 0.69 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.50 1lqf h LEU 772 Cb 1.50 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.62 1lqf h LEU 772 CO -0.59 -0.38 -0.30 0.00 -0.34 0.00 0.00 178.44 176.83 1lqf h ALA 773 N -1.47 -0.21 -0.32 1.25 0.00 0.20 0.01 119.26 118.71 1lqf h ALA 773 Ca -0.08 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1lqf h ALA 773 Cb 0.59 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1lqf h ALA 773 CO 0.13 -0.73 -0.45 0.28 0.00 0.00 0.00 179.25 178.49 1lqf h VAL 774 N -0.29 0.10 -0.49 0.00 2.07 -0.78 0.76 116.25 117.63 1lqf h VAL 774 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1lqf h VAL 774 Cb 0.52 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1lqf h VAL 774 CO -0.45 0.00 0.20 0.40 0.02 0.00 0.00 177.57 177.74 1lqf h ILE 775 N -0.39 0.89 0.57 4.57 2.04 -1.01 0.30 117.51 124.47 1lqf h ILE 775 Ca 0.11 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1lqf h ILE 775 Cb 0.60 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1lqf h ILE 775 CO -0.52 0.07 -0.28 -0.08 0.00 0.00 0.00 178.15 177.35 1lqf h GLU 776 N 0.40 -0.74 0.00 2.37 4.81 -0.16 -2.84 114.58 118.43 1lqf h GLU 776 Ca 0.23 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1lqf h GLU 776 Cb 0.19 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1lqf h GLU 776 CO -0.20 -0.49 0.21 0.78 -0.73 0.00 0.00 179.01 178.58 1lqf h GLY 777 N -1.09 0.00 2.00 1.92 0.00 0.56 0.17 103.07 106.62 1lqf h GLY 777 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1lqf h GLY 777 CO 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.31 1lqf h ALA 778 N 1.48 1.27 0.06 3.60 0.00 -0.15 -3.12 119.26 122.39 1lqf h ALA 778 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1lqf h ALA 778 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1lqf h ALA 778 CO 0.00 0.45 -0.19 0.87 0.00 0.00 0.00 179.25 180.39 1lqf h LYS 779 N 0.00 -0.26 -0.08 0.00 1.57 -0.68 -1.91 116.57 115.20 1lqf h LYS 779 Ca -0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1lqf h LYS 779 Cb 0.69 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1lqf h LYS 779 CO 0.05 -0.18 -0.11 0.74 -0.57 0.00 0.00 179.45 179.38 1lqf h PHE 780 N -0.27 -0.27 0.08 -1.35 0.04 -1.75 -2.05 116.94 111.37 1lqf h PHE 780 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1lqf h PHE 780 Cb 0.27 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1lqf h PHE 780 CO -0.33 -0.17 -0.20 0.82 -0.60 0.00 0.00 178.31 177.84 1lqf h ILE 781 N -0.15 0.00 0.00 -0.55 1.08 -1.54 -0.09 117.51 116.27 1lqf h ILE 781 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1lqf h ILE 781 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 1lqf h ILE 781 CO -0.17 0.00 0.00 1.15 -0.69 0.00 0.00 178.15 178.44 1lqf n MET 782 N -3.57 0.39 -0.23 2.37 0.00 -0.72 -5.04 117.12 110.32 1lqf n MET 782 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1lqf n MET 782 Cb 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.00 1lqf n MET 782 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38