#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqa h GLN 469 N 0.00 0.26 0.59 0.38 5.75 -2.05 -0.62 115.11 119.42 1dqa h GLN 469 Ca 0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1dqa h GLN 469 Cb 0.00 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.50 1dqa h GLN 469 CO 0.00 0.17 -0.28 1.25 -2.65 0.00 0.00 178.83 177.32 1dqa h LEU 470 N 0.27 -0.67 -0.40 -2.39 5.85 -2.04 -0.62 115.31 115.31 1dqa h LEU 470 Ca 0.17 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1dqa h LEU 470 Cb 0.34 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1dqa h LEU 470 CO -0.03 -0.40 0.10 0.58 -0.34 0.00 0.00 178.44 178.34 1dqa h VAL 471 N -0.90 0.81 0.00 1.05 2.07 -1.69 0.10 116.25 117.69 1dqa h VAL 471 Ca -0.08 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1dqa h VAL 471 Cb 0.65 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1dqa h VAL 471 CO 0.13 0.04 -0.18 0.78 0.02 0.00 0.00 177.57 178.37 1dqa h ASN 472 N 0.23 0.00 0.01 0.57 2.35 -1.12 -0.06 115.58 117.56 1dqa h ASN 472 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1dqa h ASN 472 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1dqa h ASN 472 CO -0.24 0.18 -0.00 0.00 -1.65 0.00 0.00 177.43 175.71 1dqa h ALA 473 N 1.82 -0.01 0.00 -0.83 0.00 -0.16 -3.33 119.26 116.75 1dqa h ALA 473 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqa h ALA 473 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dqa h ALA 473 CO 0.02 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1dqa n LYS 474 N -4.17 0.55 -2.19 0.00 4.76 -0.07 -4.84 118.16 112.19 1dqa n LYS 474 Ca -0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1dqa n LYS 474 Cb 0.00 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 1dqa n LYS 474 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1dqa n HIS 475 N -0.99 -0.74 -1.76 2.13 -0.00 -0.22 -4.93 115.22 108.71 1dqa n HIS 475 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.43 1dqa n HIS 475 Cb 0.06 -3.87 -0.01 0.00 -0.00 0.00 0.00 29.99 26.17 1dqa n HIS 475 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1dqa n ILE 476 N -3.60 1.45 -2.52 3.57 5.41 -0.20 -4.97 119.36 118.50 1dqa n ILE 476 Ca -0.24 -0.36 -0.41 0.00 1.00 0.00 0.00 62.75 62.74 1dqa n ILE 476 Cb 0.69 -1.96 -0.04 0.00 -0.71 0.00 0.00 39.64 37.62 1dqa n ILE 476 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1dqa s PRO 477 N -1.20 4.62 0.50 0.38 0.02 -1.26 -4.82 135.00 133.24 1dqa s PRO 477 Ca 0.59 1.72 0.18 0.00 0.02 0.00 0.00 61.00 63.51 1dqa s PRO 477 Cb -0.49 -3.26 1.24 0.00 0.02 0.00 0.00 34.50 32.01 1dqa s PRO 477 CO 0.55 0.12 2.07 0.00 -0.33 0.00 0.00 177.00 179.41 1dqa h ALA 478 N 4.84 2.13 0.00 -1.55 0.00 -1.98 -2.28 119.26 120.42 1dqa h ALA 478 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1dqa h ALA 478 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dqa h ALA 478 CO 0.71 -0.20 -0.10 0.10 0.00 0.00 0.00 179.25 179.76 1dqa h TYR 479 N 0.10 0.00 -0.26 0.00 -0.00 -1.95 -2.16 116.97 112.70 1dqa h TYR 479 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.86 1dqa h TYR 479 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 1dqa h TYR 479 CO -0.00 0.10 0.00 1.63 -0.00 0.00 0.00 178.16 179.89 1dqa n LYS 480 N -3.71 2.13 -0.19 0.10 5.02 -0.86 -4.41 118.16 116.25 1dqa n LYS 480 Ca -0.02 -1.16 -0.09 0.00 -2.02 0.00 0.00 58.31 55.02 1dqa n LYS 480 Cb 0.21 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1dqa n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dqa h LEU 481 N 1.66 0.82 -2.13 -0.35 3.38 -1.54 -3.15 115.31 114.00 1dqa h LEU 481 Ca 0.00 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1dqa h LEU 481 Cb 0.75 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1dqa h LEU 481 CO 0.10 0.86 0.05 -0.33 0.09 0.00 0.00 178.44 179.22 1dqa h GLU 482 N 0.75 0.00 -0.34 1.13 3.07 -1.84 -2.06 114.58 115.28 1dqa h GLU 482 Ca 0.16 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1dqa h GLU 482 Cb 0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1dqa h GLU 482 CO 0.01 0.00 -0.16 1.79 -1.40 0.00 0.00 179.01 179.25 1dqa h THR 483 N 0.00 1.29 -0.47 1.13 1.35 -1.88 -3.23 112.91 111.10 1dqa h THR 483 Ca 0.03 -1.27 -0.13 0.00 -0.55 0.00 0.00 66.41 64.50 1dqa h THR 483 Cb 0.14 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1dqa h THR 483 CO -0.00 0.41 -0.22 0.25 -0.25 0.00 0.00 175.52 175.71 1dqa h LEU 484 N 0.48 1.00-10.32 3.87 6.46 -1.50 -3.45 115.31 111.86 1dqa h LEU 484 Ca 0.08 -0.38 -0.47 0.00 -0.12 0.00 0.00 57.88 56.99 1dqa h LEU 484 Cb 0.69 -0.27 0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1dqa h LEU 484 CO 0.05 1.17 -0.11 -0.63 -0.62 0.00 0.00 178.44 178.30 1dqa s ILE 485 N -4.66 4.42 -0.23 4.05 1.01 -0.83 -5.02 121.20 119.93 1dqa s ILE 485 Ca -0.11 -0.43 0.14 0.00 0.00 0.00 0.00 60.65 60.25 1dqa s ILE 485 Cb 0.12 -3.63 0.57 0.00 0.01 0.00 0.00 42.46 39.53 1dqa s ILE 485 CO 0.87 -0.45 1.51 -0.62 0.00 0.00 0.00 174.94 176.25 1dqa n GLU 486 N -2.00 2.87 -3.75 2.79 1.02 -1.26 -4.83 120.64 115.48 1dqa n GLU 486 Ca -0.01 -2.97 -0.13 0.00 -0.02 0.00 0.00 57.16 54.03 1dqa n GLU 486 Cb 0.57 -1.92 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 1dqa n GLU 486 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dqa s THR 487 N -2.96 -0.04 0.05 2.62 2.01 -1.26 -5.05 115.64 111.01 1dqa s THR 487 Ca 0.45 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.36 1dqa s THR 487 Cb 0.38 -0.31 -0.17 0.00 0.01 0.00 0.00 72.50 72.41 1dqa s THR 487 CO 0.08 0.06 1.55 0.45 -0.69 0.00 0.00 174.62 176.06 1dqa h HIS 488 N 7.04 0.03 -0.76 4.92 3.86 -1.93 -2.38 115.15 125.94 1dqa h HIS 488 Ca -0.40 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 1dqa h HIS 488 Cb 1.15 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 1dqa h HIS 488 CO 0.39 0.22 0.38 1.49 0.86 0.00 0.00 177.93 181.27 1dqa h GLU 489 N -0.17 1.07 0.00 2.45 4.81 -1.97 -1.80 114.58 118.97 1dqa h GLU 489 Ca 0.01 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1dqa h GLU 489 Cb 0.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1dqa h GLU 489 CO -0.00 0.81 -0.42 -0.09 -0.73 0.00 0.00 179.01 178.58 1dqa h ARG 490 N 1.07 0.00 -0.41 1.92 2.43 -1.97 0.60 114.38 118.01 1dqa h ARG 490 Ca 0.26 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1dqa h ARG 490 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1dqa h ARG 490 CO -0.04 0.42 0.04 0.78 -1.51 0.00 0.00 179.97 179.67 1dqa h GLY 491 N 1.30 0.76 0.92 2.80 0.00 -0.80 -1.31 103.07 106.74 1dqa h GLY 491 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1dqa h GLY 491 CO 0.05 0.49 0.09 -2.08 0.00 0.00 0.00 176.54 175.09 1dqa h VAL 492 N 0.55 1.22 -0.27 4.60 2.07 -0.98 -0.76 116.25 122.68 1dqa h VAL 492 Ca 0.12 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1dqa h VAL 492 Cb 0.42 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1dqa h VAL 492 CO 0.01 0.25 0.09 -1.28 0.02 0.00 0.00 177.57 176.67 1dqa h SER 493 N 0.43 0.10 -0.39 0.57 0.87 -0.72 -0.30 113.55 114.10 1dqa h SER 493 Ca 0.11 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1dqa h SER 493 Cb 0.29 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1dqa h SER 493 CO 0.00 0.09 -0.07 0.40 -0.53 0.00 0.00 176.83 176.72 1dqa h ILE 494 N 0.21 1.25 -0.64 2.23 2.04 -1.17 -2.05 117.51 119.39 1dqa h ILE 494 Ca 0.12 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1dqa h ILE 494 Cb 0.09 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1dqa h ILE 494 CO -0.13 0.39 0.17 -0.09 0.00 0.00 0.00 178.15 178.50 1dqa h ARG 495 N 0.75 1.00 -0.69 2.37 2.43 -0.51 -1.32 114.38 118.40 1dqa h ARG 495 Ca 0.13 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1dqa h ARG 495 Cb 0.55 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1dqa h ARG 495 CO 0.03 0.87 0.18 0.00 -1.51 0.00 0.00 179.97 179.54 1dqa h ARG 496 N 0.95 1.08 -0.21 0.20 3.08 -0.78 -0.39 114.38 118.31 1dqa h ARG 496 Ca 0.21 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1dqa h ARG 496 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1dqa h ARG 496 CO -0.00 0.95 0.02 1.96 -1.07 0.00 0.00 179.97 181.83 1dqa h GLN 497 N 1.03 0.36 -0.06 0.04 4.20 -0.93 0.05 115.11 119.81 1dqa h GLN 497 Ca 0.22 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1dqa h GLN 497 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1dqa h GLN 497 CO -0.00 0.53 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.61 1dqa h LEU 498 N 0.15 -0.04 -0.87 1.46 -0.00 -1.08 -2.93 115.31 112.00 1dqa h LEU 498 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1dqa h LEU 498 Cb 0.35 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1dqa h LEU 498 CO 0.01 -0.01 0.56 0.25 -0.00 0.00 0.00 178.44 179.25 1dqa h LEU 499 N 0.01 1.01 -1.81 1.67 5.85 -0.99 -2.82 115.31 118.24 1dqa h LEU 499 Ca 0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1dqa h LEU 499 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1dqa h LEU 499 CO -0.05 0.75 0.10 0.77 -0.34 0.00 0.00 178.44 179.66 1dqa h SER 500 N 1.19 0.19 0.42 1.25 4.64 -0.80 -2.03 113.55 118.40 1dqa h SER 500 Ca 0.32 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1dqa h SER 500 Cb -0.11 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1dqa h SER 500 CO -0.07 0.15 -0.33 0.11 -0.87 0.00 0.00 176.83 175.83 1dqa h LYS 501 N 0.23 0.00 -0.00 4.77 1.57 -1.40 -2.78 116.57 118.96 1dqa h LYS 501 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1dqa h LYS 501 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1dqa h LYS 501 CO -0.01 0.33 -0.19 1.63 -0.57 0.00 0.00 179.45 180.63 1dqa n LYS 502 N -3.97 0.19 -2.95 3.15 5.02 -0.77 -4.92 118.16 113.91 1dqa n LYS 502 Ca -0.02 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1dqa n LYS 502 Cb 0.39 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1dqa n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dqa s LEU 503 N -2.85 3.94 0.26 -0.35 1.43 -1.05 -4.97 118.68 115.09 1dqa s LEU 503 Ca 0.17 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1dqa s LEU 503 Cb 0.19 -4.16 0.30 0.00 0.03 0.00 0.00 46.19 42.55 1dqa s LEU 503 CO 0.57 -0.31 1.90 0.77 0.23 0.00 0.00 176.35 179.51 1dqa h SER 504 N 1.82 1.06 -3.73 2.29 4.64 -1.91 -3.32 113.55 114.40 1dqa h SER 504 Ca -0.48 -0.07 -0.65 0.00 -0.47 0.00 0.00 61.79 60.13 1dqa h SER 504 Cb 1.18 -0.27 -0.40 0.00 -0.31 0.00 0.00 62.40 62.60 1dqa h SER 504 CO 0.64 0.82 -0.71 -1.61 -0.87 0.00 0.00 176.83 175.10 1dqa s GLU 505 N -5.88 1.47 0.56 4.77 0.41 -1.26 -5.00 118.70 113.76 1dqa s GLU 505 Ca -0.12 -1.91 0.25 0.00 -0.41 0.00 0.00 54.97 52.78 1dqa s GLU 505 Cb 0.17 -3.08 1.49 0.00 -1.78 0.00 0.00 34.13 30.94 1dqa s GLU 505 CO 0.82 -0.98 2.06 -1.35 -0.49 0.00 0.00 175.26 175.32 1dqa h PRO 506 N 7.47 0.00 0.00 0.39 0.11 -1.74 -1.95 132.00 136.29 1dqa h PRO 506 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1dqa h PRO 506 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dqa h PRO 506 CO 0.54 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.20 1dqa n SER 507 N -4.13 0.00 -0.14 -2.05 3.41 -1.26 -4.21 113.62 105.24 1dqa n SER 507 Ca 0.04 -1.15 -0.03 0.00 -0.26 0.00 0.00 58.87 57.47 1dqa n SER 507 Cb 0.41 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1dqa n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1dqa h SER 508 N 0.00 -0.11 0.26 4.04 0.02 -1.74 -2.56 113.55 113.46 1dqa h SER 508 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1dqa h SER 508 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1dqa h SER 508 CO 0.00 -0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.85 1dqa n LEU 509 N -5.17 0.39 -0.27 5.07 4.77 -1.26 -3.61 117.00 116.93 1dqa n LEU 509 Ca 0.04 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1dqa n LEU 509 Cb 0.24 -0.65 0.22 0.00 -2.33 0.00 0.00 43.42 40.89 1dqa n LEU 509 CO 0.19 -0.66 0.94 -0.61 -1.33 0.00 0.00 177.39 175.92 1dqa h GLN 510 N 0.00 0.26 -0.06 3.23 4.15 -1.77 -1.30 115.11 119.63 1dqa h GLN 510 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1dqa h GLN 510 Cb 0.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1dqa h GLN 510 CO 0.00 0.17 0.00 0.66 -1.93 0.00 0.00 178.83 177.73 1dqa n TYR 511 N -5.17 0.06 -3.21 3.99 4.02 -1.24 -4.71 117.16 110.91 1dqa n TYR 511 Ca 0.17 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.90 57.60 1dqa n TYR 511 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 1dqa n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dqa s LEU 512 N -1.86 4.58 0.72 7.72 2.96 -0.49 -5.06 118.68 127.26 1dqa s LEU 512 Ca 0.37 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.78 1dqa s LEU 512 Cb 0.20 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.33 1dqa s LEU 512 CO 0.31 -0.64 1.10 -2.16 -1.32 0.00 0.00 176.35 173.63 1dqa s PRO 513 N 2.50 2.51 0.00 0.98 0.04 -1.26 -4.89 135.00 134.87 1dqa s PRO 513 Ca 0.18 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1dqa s PRO 513 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1dqa s PRO 513 CO 0.16 -1.46 0.00 2.48 0.04 0.00 0.00 177.00 178.22 1dqa n TYR 514 N -3.06 0.00 -2.20 0.56 0.18 -1.26 -1.62 117.16 109.76 1dqa n TYR 514 Ca 0.09 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.54 1dqa n TYR 514 Cb 0.53 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1dqa n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1dqa s ARG 515 N 0.00 3.43 -1.40 -3.48 0.52 -1.26 -4.16 118.95 112.60 1dqa s ARG 515 Ca 0.00 1.30 -0.05 0.00 -0.52 0.00 0.00 55.73 56.45 1dqa s ARG 515 Cb 0.00 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.46 1dqa s ARG 515 CO 0.00 -0.73 0.79 -0.25 0.02 0.00 0.00 175.30 175.14 1dqa n ASP 516 N -1.67 -2.51 -4.18 0.23 8.00 -1.26 -5.01 116.55 110.15 1dqa n ASP 516 Ca 0.09 -0.81 -0.23 0.00 0.71 0.00 0.00 54.79 54.55 1dqa n ASP 516 Cb 0.52 -3.94 -0.14 0.00 -0.02 0.00 0.00 41.12 37.55 1dqa n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dqa s TYR 517 N -3.55 1.51 -0.92 1.24 5.04 -1.26 -5.09 117.35 114.33 1dqa s TYR 517 Ca 0.26 -0.34 -0.20 0.00 -2.44 0.00 0.00 57.07 54.34 1dqa s TYR 517 Cb -0.13 -0.92 0.10 0.00 0.35 0.00 0.00 41.96 41.36 1dqa s TYR 517 CO 0.82 0.04 1.20 1.21 -1.34 0.00 0.00 175.55 177.49 1dqa s ASN 518 N -0.94 6.54 0.49 4.32 2.47 -1.26 -4.84 114.94 121.72 1dqa s ASN 518 Ca 0.05 -1.74 0.28 0.00 0.42 0.00 0.00 52.86 51.87 1dqa s ASN 518 Cb -0.08 -2.45 1.07 0.00 -1.45 0.00 0.00 41.25 38.35 1dqa s ASN 518 CO 0.01 -1.24 1.88 1.88 -3.72 0.00 0.00 177.10 175.91 1dqa h TYR 519 N 9.20 0.00 -0.25 0.43 -1.99 -1.97 -3.02 116.97 119.37 1dqa h TYR 519 Ca 0.12 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1dqa h TYR 519 Cb 1.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1dqa h TYR 519 CO 1.18 0.11 0.15 0.66 -0.00 0.00 0.00 178.16 180.25 1dqa h SER 520 N 0.00 0.29 0.82 3.88 4.64 -1.92 -0.47 113.55 120.78 1dqa h SER 520 Ca -0.00 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1dqa h SER 520 Cb 0.66 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1dqa h SER 520 CO 0.01 0.23 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.50 1dqa h LEU 521 N 0.34 0.00 0.00 5.97 4.07 -1.93 -3.30 115.31 120.45 1dqa h LEU 521 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1dqa h LEU 521 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1dqa h LEU 521 CO -0.02 0.63 -0.01 0.58 -1.08 0.00 0.00 178.44 178.55 1dqa h VAL 522 N 0.00 1.64 -2.24 1.22 2.07 -1.33 -3.41 116.25 114.20 1dqa h VAL 522 Ca -0.01 -1.90 -0.58 0.00 0.82 0.00 0.00 66.70 65.04 1dqa h VAL 522 Cb 1.21 2.93 0.03 0.00 -1.52 0.00 0.00 31.29 33.95 1dqa h VAL 522 CO 0.08 0.50 1.06 0.23 0.02 0.00 0.00 177.57 179.45 1dqa n MET 523 N -4.69 2.42 -0.70 1.57 2.81 -0.31 -0.06 117.12 118.16 1dqa n MET 523 Ca -0.09 0.88 0.00 0.00 -1.81 0.00 0.00 57.70 56.68 1dqa n MET 523 Cb 0.40 -2.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 1dqa n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dqa n GLY 524 N 4.17 0.84 0.00 3.03 0.00 -1.26 -4.79 105.19 107.18 1dqa n GLY 524 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1dqa n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa n ALA 525 N 0.09 1.87 0.00 4.61 0.00 -0.48 -5.03 120.51 121.57 1dqa n ALA 525 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dqa n ALA 525 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1dqa n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dqa s GLU 528 N -1.84 1.61 -1.45 0.00 8.01 -1.26 -4.46 118.70 119.31 1dqa s GLU 528 Ca -0.01 -1.79 -0.02 0.00 0.01 0.00 0.00 54.97 53.16 1dqa s GLU 528 Cb -0.01 -1.39 0.01 0.00 -4.31 0.00 0.00 34.13 28.44 1dqa s GLU 528 CO -0.01 0.13 0.41 -1.71 0.01 0.00 0.00 175.26 174.09 1dqa n ASN 529 N -0.61 -0.45 -4.72 -0.19 5.15 -1.26 -4.86 115.26 108.31 1dqa n ASN 529 Ca -0.06 -1.04 -0.42 0.00 -0.60 0.00 0.00 54.58 52.47 1dqa n ASN 529 Cb 0.62 -2.88 -0.03 0.00 -0.53 0.00 0.00 39.78 36.97 1dqa n ASN 529 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dqa s VAL 530 N -3.95 3.48 -0.23 3.44 1.01 -1.26 -4.95 120.40 117.95 1dqa s VAL 530 Ca 0.07 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1dqa s VAL 530 Cb -0.04 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1dqa s VAL 530 CO 0.90 0.12 0.51 2.30 0.00 0.00 0.00 175.10 178.93 1dqa n ILE 531 N 3.46 0.00 0.00 2.22 -5.35 -1.26 -4.60 119.36 113.82 1dqa n ILE 531 Ca 0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1dqa n ILE 531 Cb 0.44 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1dqa n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dqa n GLY 532 N 0.20 0.07 3.12 3.28 0.00 -1.26 -4.80 105.19 105.80 1dqa n GLY 532 Ca 0.01 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 1dqa n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqa s TYR 533 N -4.00 0.23 -0.29 1.61 -0.85 -0.64 -4.97 117.35 108.44 1dqa s TYR 533 Ca 0.00 -0.57 -0.06 0.00 -0.52 0.00 0.00 57.07 55.93 1dqa s TYR 533 Cb 0.00 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1dqa s TYR 533 CO 0.00 -0.38 0.05 1.41 -1.52 0.00 0.00 175.55 175.11 1dqa s MET 534 N -2.85 3.03 -0.10 -3.49 -2.45 -1.26 -4.14 119.30 108.03 1dqa s MET 534 Ca -0.03 -0.89 -0.30 0.00 -1.25 0.00 0.00 55.69 53.23 1dqa s MET 534 Cb 0.00 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.78 1dqa s MET 534 CO -0.06 -0.44 1.04 -2.14 1.05 0.00 0.00 175.02 174.47 1dqa s PRO 535 N 1.46 4.41 -0.21 4.11 0.02 -1.26 -5.03 135.00 138.51 1dqa s PRO 535 Ca 0.02 1.43 -0.04 0.00 0.02 0.00 0.00 61.00 62.43 1dqa s PRO 535 Cb -0.17 -3.54 -0.01 0.00 0.02 0.00 0.00 34.50 30.79 1dqa s PRO 535 CO 0.01 -0.33 -0.03 0.42 -0.33 0.00 0.00 177.00 176.74 1dqa s ILE 536 N 2.02 3.55 0.24 2.83 -1.09 -1.26 -5.07 121.20 122.43 1dqa s ILE 536 Ca 0.49 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 58.17 1dqa s ILE 536 Cb -0.19 -2.61 -0.14 0.00 -1.58 0.00 0.00 42.46 37.94 1dqa s ILE 536 CO 0.19 0.43 1.35 -2.65 -1.23 0.00 0.00 174.94 173.02 1dqa n PRO 537 N 4.58 1.92 -4.26 2.79 -0.02 -1.26 -4.72 135.00 134.03 1dqa n PRO 537 Ca -0.18 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 1dqa n PRO 537 Cb 0.51 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 1dqa n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dqa s VAL 538 N -0.22 2.89 0.43 -1.45 1.01 -1.26 -1.25 120.40 120.54 1dqa s VAL 538 Ca 0.67 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1dqa s VAL 538 Cb -0.67 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1dqa s VAL 538 CO 0.52 0.49 0.16 -0.83 0.00 0.00 0.00 175.10 175.44 1dqa s GLY 539 N 1.07 2.41 -0.02 4.51 0.00 0.19 -4.92 107.32 110.57 1dqa s GLY 539 Ca -0.00 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 42.80 1dqa s GLY 539 CO -0.03 -1.96 -0.12 0.54 0.00 0.00 0.00 173.10 171.54 1dqa s VAL 540 N -2.65 0.97 -0.04 1.40 0.11 -1.26 -0.67 120.40 118.26 1dqa s VAL 540 Ca 0.37 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1dqa s VAL 540 Cb 0.04 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1dqa s VAL 540 CO 0.21 0.29 -0.22 0.00 -3.33 0.00 0.00 175.10 172.04 1dqa s ALA 541 N -0.02 1.90 0.00 1.54 0.00 -0.52 -4.93 121.76 119.73 1dqa s ALA 541 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1dqa s ALA 541 Cb -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1dqa s ALA 541 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1dqa n GLY 542 N 2.86 -0.50 3.77 0.00 0.00 -1.26 -1.11 105.19 108.95 1dqa n GLY 542 Ca -0.17 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1dqa n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqa s PRO 543 N -1.61 4.11 -0.40 1.61 0.04 -1.26 -4.93 135.00 132.56 1dqa s PRO 543 Ca 0.00 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 1dqa s PRO 543 Cb 0.00 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1dqa s PRO 543 CO 0.00 -0.37 0.28 -1.17 0.04 0.00 0.00 177.00 175.78 1dqa s LEU 544 N -2.22 5.02 -0.60 -3.56 2.96 0.02 -4.60 118.68 115.70 1dqa s LEU 544 Ca 0.54 -0.89 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 1dqa s LEU 544 Cb -0.38 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.22 1dqa s LEU 544 CO 0.49 -0.43 0.97 0.00 -1.32 0.00 0.00 176.35 176.06 1dqa s LEU 546 N 4.09 1.16 -1.54 0.00 2.96 -0.31 -0.38 118.68 124.66 1dqa s LEU 546 Ca 0.27 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1dqa s LEU 546 Cb -0.14 -0.47 0.08 0.00 0.50 0.00 0.00 46.19 46.16 1dqa s LEU 546 CO 0.15 -0.09 0.70 0.47 -1.32 0.00 0.00 176.35 176.26 1dqa n ASP 547 N 4.33 -2.43 -1.06 3.68 8.00 -0.10 -1.11 116.55 127.86 1dqa n ASP 547 Ca -0.20 -0.95 -0.14 0.00 0.71 0.00 0.00 54.79 54.21 1dqa n ASP 547 Cb 0.51 -3.20 -0.06 0.00 -0.02 0.00 0.00 41.12 38.35 1dqa n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dqa n GLU 548 N -4.45 -1.03 -4.42 -1.24 1.02 -1.26 -5.00 120.64 104.26 1dqa n GLU 548 Ca -0.09 0.98 -0.21 0.00 -0.02 0.00 0.00 57.16 57.81 1dqa n GLU 548 Cb 0.58 -5.09 -0.10 0.00 -0.02 0.00 0.00 31.44 26.80 1dqa n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dqa s LYS 549 N -3.14 1.53 -0.08 3.49 1.02 -0.26 -5.15 119.74 117.14 1dqa s LYS 549 Ca 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.30 1dqa s LYS 549 Cb 0.00 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1dqa s LYS 549 CO 0.00 0.16 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.18 1dqa s GLU 550 N -3.64 2.56 0.05 1.68 2.02 -1.26 -1.17 118.70 118.94 1dqa s GLU 550 Ca 0.27 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.62 1dqa s GLU 550 Cb 0.00 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1dqa s GLU 550 CO 0.11 0.17 -0.26 -0.06 0.02 0.00 0.00 175.26 175.23 1dqa s PHE 551 N 0.35 2.31 -0.38 1.61 0.40 -0.20 -4.88 117.98 117.19 1dqa s PHE 551 Ca -0.15 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 1dqa s PHE 551 Cb -0.17 -1.39 0.07 0.00 0.51 0.00 0.00 43.02 42.05 1dqa s PHE 551 CO 0.07 0.13 0.17 -0.65 0.70 0.00 0.00 175.22 175.63 1dqa s GLN 552 N -1.24 2.43 -0.29 0.44 -1.52 -1.26 -0.80 119.66 117.42 1dqa s GLN 552 Ca 0.12 -1.46 -0.21 0.00 -1.95 0.00 0.00 55.36 51.86 1dqa s GLN 552 Cb -0.10 -3.56 -0.01 0.00 -0.22 0.00 0.00 33.01 29.11 1dqa s GLN 552 CO 0.02 -0.87 0.65 0.08 -0.25 0.00 0.00 175.29 174.92 1dqa s VAL 553 N 1.32 4.93 0.10 1.09 1.01 -0.26 -4.61 120.40 123.99 1dqa s VAL 553 Ca 0.02 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 1dqa s VAL 553 Cb -0.22 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1dqa s VAL 553 CO 0.00 -0.10 0.91 -2.16 0.00 0.00 0.00 175.10 173.75 1dqa s PRO 554 N 2.62 4.65 -0.08 2.72 0.04 -1.26 -1.44 135.00 142.25 1dqa s PRO 554 Ca 0.26 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1dqa s PRO 554 Cb -0.15 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.05 1dqa s PRO 554 CO 0.11 0.25 0.00 -1.64 0.04 0.00 0.00 177.00 175.76 1dqa s MET 555 N -0.09 0.63 -0.31 4.56 -1.94 0.15 -4.42 119.30 117.88 1dqa s MET 555 Ca 0.44 0.05 -0.14 0.00 -1.71 0.00 0.00 55.69 54.34 1dqa s MET 555 Cb -0.23 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.49 1dqa s MET 555 CO 0.28 -0.34 0.32 0.00 -0.01 0.00 0.00 175.02 175.27 1dqa s ALA 556 N 1.96 3.52 0.20 3.03 0.00 -0.46 -0.63 121.76 129.38 1dqa s ALA 556 Ca 0.04 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 1dqa s ALA 556 Cb -0.13 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.33 1dqa s ALA 556 CO -0.06 -0.86 0.75 -0.08 0.00 0.00 0.00 175.76 175.52 1dqa s THR 557 N 1.95 0.00 -0.02 0.00 -1.32 -0.38 -4.30 115.64 111.57 1dqa s THR 557 Ca 0.11 -0.62 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 1dqa s THR 557 Cb -0.16 -1.68 0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1dqa s THR 557 CO 0.11 0.00 0.94 0.35 -2.21 0.00 0.00 174.62 173.81 1dqa n THR 558 N -0.43 0.94 -3.23 5.08 -2.24 -1.26 -3.99 114.28 109.15 1dqa n THR 558 Ca -0.08 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.27 1dqa n THR 558 Cb 0.61 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 1dqa n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dqa s GLU 559 N -1.09 3.12 0.56 -0.78 2.12 -1.26 -5.04 118.70 116.32 1dqa s GLU 559 Ca 0.05 -0.84 -0.21 0.00 0.36 0.00 0.00 54.97 54.33 1dqa s GLU 559 Cb 0.04 -4.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 1dqa s GLU 559 CO 0.00 -1.05 1.36 0.41 -0.54 0.00 0.00 175.26 175.44 1dqa n GLY 560 N 5.14 0.77 1.98 -1.50 0.00 -1.26 -2.58 105.19 107.74 1dqa n GLY 560 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1dqa n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa h LEU 562 N 0.00 -0.47 -0.69 0.00 5.85 -1.90 0.73 115.31 118.82 1dqa h LEU 562 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1dqa h LEU 562 Cb 0.00 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1dqa h LEU 562 CO 0.00 -0.31 0.12 0.58 -0.34 0.00 0.00 178.44 178.49 1dqa h VAL 563 N -0.49 1.26 -0.20 1.05 2.07 -1.92 -1.06 116.25 116.96 1dqa h VAL 563 Ca -0.03 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1dqa h VAL 563 Cb 0.40 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1dqa h VAL 563 CO 0.04 0.39 0.11 0.00 0.02 0.00 0.00 177.57 178.13 1dqa h ALA 564 N 1.07 0.26 -0.50 1.67 0.00 -1.91 0.10 119.26 119.96 1dqa h ALA 564 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1dqa h ALA 564 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1dqa h ALA 564 CO 0.01 -0.20 0.17 1.03 0.00 0.00 0.00 179.25 180.26 1dqa h SER 565 N 0.22 0.71 -0.69 0.00 0.87 -0.68 -0.49 113.55 113.49 1dqa h SER 565 Ca 0.07 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1dqa h SER 565 Cb 0.07 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1dqa h SER 565 CO -0.01 0.72 0.14 0.74 -0.53 0.00 0.00 176.83 177.89 1dqa h THR 566 N 0.67 1.26 -0.84 2.23 2.02 -1.04 -1.37 112.91 115.85 1dqa h THR 566 Ca 0.16 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1dqa h THR 566 Cb 0.25 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1dqa h THR 566 CO -0.01 0.38 0.39 -1.13 0.37 0.00 0.00 175.52 175.53 1dqa h ASN 567 N 1.05 1.10 -0.82 4.18 -1.24 -0.69 -0.97 115.58 118.20 1dqa h ASN 567 Ca 0.21 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 1dqa h ASN 567 Cb 0.40 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 1dqa h ASN 567 CO 0.01 0.94 0.38 -0.09 -1.29 0.00 0.00 177.43 177.37 1dqa h ARG 568 N 1.19 1.19 -0.52 6.67 2.43 -0.53 -1.27 114.38 123.54 1dqa h ARG 568 Ca 0.29 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1dqa h ARG 568 Cb 0.13 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1dqa h ARG 568 CO -0.03 0.93 0.02 0.78 -1.51 0.00 0.00 179.97 180.15 1dqa h GLY 569 N 1.17 0.93 1.05 2.80 0.00 -0.69 -1.59 103.07 106.73 1dqa h GLY 569 Ca 0.28 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1dqa h GLY 569 CO -0.03 0.57 0.26 0.00 0.00 0.00 0.00 176.54 177.34 1dqa h ARG 571 N 1.09 0.60 -0.28 0.00 9.65 -0.88 0.64 114.38 125.20 1dqa h ARG 571 Ca 0.24 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1dqa h ARG 571 Cb 0.27 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1dqa h ARG 571 CO -0.01 0.52 0.16 0.00 2.80 0.00 0.00 179.97 183.43 1dqa h ALA 572 N 1.05 0.35 -0.58 2.80 0.00 -1.11 -1.50 119.26 120.28 1dqa h ALA 572 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1dqa h ALA 572 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1dqa h ALA 572 CO -0.02 -0.12 0.35 0.82 0.00 0.00 0.00 179.25 180.28 1dqa h ILE 573 N 0.34 1.06 -0.72 0.00 2.04 -1.00 -1.65 117.51 117.57 1dqa h ILE 573 Ca 0.10 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1dqa h ILE 573 Cb 0.05 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1dqa h ILE 573 CO -0.02 0.13 0.33 1.23 0.00 0.00 0.00 178.15 179.82 1dqa h GLY 574 N 0.69 1.13 2.00 5.37 0.00 -0.63 -1.25 103.07 110.38 1dqa h GLY 574 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1dqa h GLY 574 CO -0.10 0.55 0.00 1.41 0.00 0.00 0.00 176.54 178.39 1dqa h LEU 575 N 1.02 0.00 -1.05 3.11 3.38 -1.05 -2.71 115.31 118.01 1dqa h LEU 575 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1dqa h LEU 575 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dqa h LEU 575 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1dqa n GLY 576 N 0.14 0.27 0.96 0.83 0.00 -0.62 -4.89 105.19 101.89 1dqa n GLY 576 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1dqa n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 577 N 1.05 0.77 0.00 -0.02 0.00 -1.02 -4.68 105.19 101.29 1dqa n GLY 577 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1dqa n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 578 N -2.36 0.38 3.73 -0.02 0.00 -0.57 -5.02 105.19 101.32 1dqa n GLY 578 Ca 0.00 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1dqa n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa s ALA 579 N -2.39 3.36 -0.00 4.61 0.00 0.48 -4.59 121.76 123.23 1dqa s ALA 579 Ca 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.63 1dqa s ALA 579 Cb 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1dqa s ALA 579 CO 0.00 0.40 -0.19 -1.12 0.00 0.00 0.00 175.76 174.86 1dqa s SER 580 N -3.29 2.18 0.07 0.00 0.01 -0.49 -0.92 113.70 111.26 1dqa s SER 580 Ca 0.30 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1dqa s SER 580 Cb -0.09 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1dqa s SER 580 CO 0.21 0.21 -0.05 -0.94 0.41 0.00 0.00 173.24 173.08 1dqa s SER 581 N -0.56 0.83 -0.05 2.44 1.04 -1.26 -0.76 113.70 115.37 1dqa s SER 581 Ca 0.07 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.50 1dqa s SER 581 Cb -0.07 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1dqa s SER 581 CO -0.00 -0.48 0.16 -0.13 0.98 0.00 0.00 173.24 173.77 1dqa s ARG 582 N -3.54 0.22 -0.19 4.02 1.81 -0.23 -4.99 118.95 116.04 1dqa s ARG 582 Ca 0.07 0.16 -0.19 0.00 -1.72 0.00 0.00 55.73 54.05 1dqa s ARG 582 Cb 0.04 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1dqa s ARG 582 CO -0.06 -0.03 0.55 0.08 -0.68 0.00 0.00 175.30 175.16 1dqa s VAL 583 N -0.06 5.08 -0.12 3.52 1.01 -1.26 -1.61 120.40 126.96 1dqa s VAL 583 Ca -0.01 1.03 0.16 0.00 0.00 0.00 0.00 61.98 63.15 1dqa s VAL 583 Cb -0.02 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 1dqa s VAL 583 CO 0.00 0.16 0.42 0.18 0.00 0.00 0.00 175.10 175.87 1dqa n LEU 584 N 4.81 0.46 -3.55 3.92 4.77 0.22 -4.99 117.00 122.63 1dqa n LEU 584 Ca -0.04 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1dqa n LEU 584 Cb 0.50 0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1dqa n LEU 584 CO 0.43 0.39 0.47 0.00 -1.33 0.00 0.00 177.39 177.35 1dqa s ALA 585 N -2.63 -1.54 -0.28 -1.18 0.00 -1.19 -4.95 121.76 109.99 1dqa s ALA 585 Ca -0.07 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1dqa s ALA 585 Cb 0.07 0.80 0.17 0.00 0.00 0.00 0.00 23.12 24.17 1dqa s ALA 585 CO 0.83 -0.84 0.47 0.34 0.00 0.00 0.00 175.76 176.56 1dqa s ASP 586 N -2.77 -0.37 -0.30 0.00 2.15 -1.25 -1.38 116.67 112.75 1dqa s ASP 586 Ca 0.05 0.12 -0.10 0.00 0.43 0.00 0.00 52.55 53.04 1dqa s ASP 586 Cb -0.02 1.49 0.17 0.00 -0.30 0.00 0.00 42.92 44.26 1dqa s ASP 586 CO -0.07 -0.31 0.89 -0.83 -0.17 0.00 0.00 175.17 174.68 1dqa s GLY 587 N 2.66 -0.50 0.58 2.66 0.00 0.42 -4.49 107.32 108.65 1dqa s GLY 587 Ca 0.13 2.58 -0.16 0.00 0.00 0.00 0.00 44.72 47.26 1dqa s GLY 587 CO -0.24 3.49 1.05 -0.29 0.00 0.00 0.00 173.10 177.11 1dqa s MET 588 N 2.79 3.38 0.17 2.90 1.75 -0.20 -0.84 119.30 129.24 1dqa s MET 588 Ca 0.04 1.19 0.04 0.00 -1.25 0.00 0.00 55.69 55.71 1dqa s MET 588 Cb -0.10 -2.04 -0.05 0.00 2.84 0.00 0.00 34.83 35.48 1dqa s MET 588 CO -0.16 -0.76 -0.06 0.95 -0.65 0.00 0.00 175.02 174.35 1dqa s THR 589 N -2.44 1.02 -0.09 10.11 -4.23 -1.26 -0.91 115.64 117.85 1dqa s THR 589 Ca 0.63 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1dqa s THR 589 Cb -0.16 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.73 1dqa s THR 589 CO 0.36 -0.62 0.20 -0.60 -0.54 0.00 0.00 174.62 173.43 1dqa s ARG 590 N -3.81 0.18 -0.65 3.99 6.06 -0.76 -4.91 118.95 119.05 1dqa s ARG 590 Ca 0.20 0.42 0.05 0.00 -2.50 0.00 0.00 55.73 53.90 1dqa s ARG 590 Cb 0.04 -0.08 0.17 0.00 0.06 0.00 0.00 34.95 35.14 1dqa s ARG 590 CO 0.03 -0.13 0.47 0.41 -2.50 0.00 0.00 175.30 173.58 1dqa n GLY 591 N 3.89 3.70 3.74 8.12 0.00 -1.26 -0.46 105.19 122.92 1dqa n GLY 591 Ca -0.22 -2.36 -0.31 0.00 0.00 0.00 0.00 46.02 43.13 1dqa n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqa s PRO 592 N -1.22 1.86 -0.09 1.61 0.04 -1.12 -0.31 135.00 135.77 1dqa s PRO 592 Ca 0.27 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.60 1dqa s PRO 592 Cb -0.02 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1dqa s PRO 592 CO -0.17 -1.95 -0.23 0.54 0.04 0.00 0.00 177.00 175.23 1dqa s VAL 593 N -2.83 2.19 0.25 -0.36 0.11 -0.69 -2.40 120.40 116.66 1dqa s VAL 593 Ca 0.63 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1dqa s VAL 593 Cb -0.19 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.78 1dqa s VAL 593 CO 0.57 0.56 -0.03 0.68 -3.33 0.00 0.00 175.10 173.55 1dqa s VAL 594 N 0.13 1.28 0.01 2.04 -7.23 -0.31 -1.91 120.40 114.41 1dqa s VAL 594 Ca -0.12 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1dqa s VAL 594 Cb -0.16 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1dqa s VAL 594 CO 0.07 -0.33 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.39 1dqa s ARG 595 N -3.80 0.18 0.34 4.82 0.52 -0.20 -0.48 118.95 120.33 1dqa s ARG 595 Ca 0.28 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 1dqa s ARG 595 Cb 0.05 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1dqa s ARG 595 CO 0.10 -0.03 0.05 -0.51 0.02 0.00 0.00 175.30 174.93 1dqa s LEU 596 N -0.82 3.06 0.33 2.53 1.02 -0.63 -0.47 118.68 123.70 1dqa s LEU 596 Ca -0.09 -0.94 0.05 0.00 0.02 0.00 0.00 54.13 53.17 1dqa s LEU 596 Cb -0.06 -1.45 0.69 0.00 0.02 0.00 0.00 46.19 45.39 1dqa s LEU 596 CO -0.00 -0.26 1.89 -0.65 0.02 0.00 0.00 176.35 177.34 1dqa h PRO 597 N 1.73 0.82 -4.57 1.29 0.11 -1.87 -3.45 132.00 126.05 1dqa h PRO 597 Ca -0.43 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 1dqa h PRO 597 Cb 1.25 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 1dqa h PRO 597 CO 0.66 0.54 -0.67 1.03 -0.21 0.00 0.00 178.00 179.35 1dqa s ARG 598 N -5.78 0.90 0.34 1.05 1.81 -1.26 -4.98 118.95 111.03 1dqa s ARG 598 Ca -0.11 -1.40 0.09 0.00 -1.72 0.00 0.00 55.73 52.60 1dqa s ARG 598 Cb 0.21 -0.04 0.62 0.00 -0.45 0.00 0.00 34.95 35.29 1dqa s ARG 598 CO 0.79 -0.12 1.80 0.00 -0.68 0.00 0.00 175.30 177.09 1dqa h ALA 599 N 2.90 1.30 -0.02 2.13 0.00 -1.87 -1.33 119.26 122.36 1dqa h ALA 599 Ca -0.35 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1dqa h ALA 599 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1dqa h ALA 599 CO 0.63 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 180.09 1dqa h ASP 601 N 0.04 0.36 -0.39 0.00 3.32 -1.71 -2.83 116.42 115.21 1dqa h ASP 601 Ca 0.00 -0.69 -0.04 0.00 0.02 0.00 0.00 57.03 56.32 1dqa h ASP 601 Cb 0.51 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1dqa h ASP 601 CO 0.04 1.00 0.13 0.77 -1.72 0.00 0.00 179.24 179.45 1dqa h SER 602 N -0.26 0.61 -0.63 6.45 4.64 -0.98 -1.49 113.55 121.89 1dqa h SER 602 Ca -0.03 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1dqa h SER 602 Cb 1.01 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1dqa h SER 602 CO 0.07 0.59 0.33 0.00 -0.87 0.00 0.00 176.83 176.95 1dqa h ALA 603 N 1.49 1.35 -0.52 5.18 0.00 -1.07 -0.73 119.26 124.97 1dqa h ALA 603 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dqa h ALA 603 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1dqa h ALA 603 CO -0.01 0.52 0.09 1.49 0.00 0.00 0.00 179.25 181.34 1dqa h GLU 604 N 0.92 0.86 -0.50 0.00 4.81 -1.03 -1.24 114.58 118.40 1dqa h GLU 604 Ca 0.23 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1dqa h GLU 604 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1dqa h GLU 604 CO -0.03 0.84 0.08 0.28 -0.73 0.00 0.00 179.01 179.45 1dqa h VAL 605 N 0.74 1.25 -0.60 0.32 2.07 -0.83 -0.43 116.25 118.77 1dqa h VAL 605 Ca 0.16 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1dqa h VAL 605 Cb 0.40 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1dqa h VAL 605 CO 0.01 0.33 0.39 0.50 0.02 0.00 0.00 177.57 178.82 1dqa h LYS 606 N 0.70 0.78 -0.73 1.57 3.64 -0.98 0.02 116.57 121.57 1dqa h LYS 606 Ca 0.15 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1dqa h LYS 606 Cb 0.39 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1dqa h LYS 606 CO 0.01 0.52 0.23 0.00 -2.27 0.00 0.00 179.45 177.94 1dqa h ALA 607 N 1.22 1.04 -0.23 5.00 0.00 -0.88 -2.14 119.26 123.27 1dqa h ALA 607 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqa h ALA 607 Cb -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1dqa h ALA 607 CO -0.05 0.65 0.13 2.35 0.00 0.00 0.00 179.25 182.33 1dqa h TRP 608 N 1.08 0.32 0.00 0.00 7.01 -0.51 -1.81 115.95 122.04 1dqa h TRP 608 Ca 0.24 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1dqa h TRP 608 Cb 0.29 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1dqa h TRP 608 CO 0.02 0.26 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.82 1dqa h LEU 609 N 0.27 0.00 -1.01 0.65 3.38 -0.84 -2.39 115.31 115.38 1dqa h LEU 609 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dqa h LEU 609 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dqa h LEU 609 CO -0.01 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1dqa n GLU 610 N -3.35 1.68 -3.50 1.13 1.02 -0.70 -3.95 120.64 112.97 1dqa n GLU 610 Ca -0.02 -1.01 -0.33 0.00 -0.02 0.00 0.00 57.16 55.79 1dqa n GLU 610 Cb 0.19 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 1dqa n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dqa s THR 611 N -1.92 5.01 0.47 2.62 -4.23 -0.90 -4.98 115.64 111.71 1dqa s THR 611 Ca 0.36 0.41 0.14 0.00 -1.18 0.00 0.00 61.69 61.42 1dqa s THR 611 Cb 0.20 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1dqa s THR 611 CO 0.31 0.06 2.06 0.77 -0.54 0.00 0.00 174.62 177.28 1dqa h SER 612 N 2.94 0.08 -0.20 3.99 4.64 -1.89 -1.21 113.55 121.90 1dqa h SER 612 Ca -0.47 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 1dqa h SER 612 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1dqa h SER 612 CO 0.69 0.14 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.10 1dqa h GLU 613 N 0.09 0.60 -0.23 4.77 3.07 -1.93 -1.73 114.58 119.22 1dqa h GLU 613 Ca 0.02 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1dqa h GLU 613 Cb 0.14 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1dqa h GLU 613 CO 0.01 0.99 0.13 0.78 -1.40 0.00 0.00 179.01 179.52 1dqa h GLY 614 N 0.28 0.33 1.14 -3.84 0.00 -1.55 -2.35 103.07 97.08 1dqa h GLY 614 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1dqa h GLY 614 CO 0.08 0.13 0.54 -2.75 0.00 0.00 0.00 176.54 174.54 1dqa h PHE 615 N 0.28 1.00 -0.48 5.60 3.57 -1.22 -2.24 116.94 123.45 1dqa h PHE 615 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1dqa h PHE 615 Cb 0.02 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1dqa h PHE 615 CO -0.05 0.61 0.22 0.00 -2.23 0.00 0.00 178.31 176.86 1dqa h ALA 616 N 1.51 0.62 -0.43 2.41 0.00 -0.86 0.12 119.26 122.62 1dqa h ALA 616 Ca 0.31 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1dqa h ALA 616 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dqa h ALA 616 CO -0.08 0.20 -0.22 -0.39 0.00 0.00 0.00 179.25 178.76 1dqa h VAL 617 N 0.63 1.27 -0.54 0.00 -1.51 -1.16 -1.03 116.25 113.91 1dqa h VAL 617 Ca 0.16 -1.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.21 1dqa h VAL 617 Cb 0.14 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1dqa h VAL 617 CO -0.02 0.46 0.08 0.40 -1.23 0.00 0.00 177.57 177.26 1dqa h ILE 618 N 0.76 1.25 -0.70 7.19 1.08 -1.17 -2.35 117.51 123.57 1dqa h ILE 618 Ca 0.10 -0.98 -0.07 0.00 -0.39 0.00 0.00 64.86 63.53 1dqa h ILE 618 Cb 0.76 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 1dqa h ILE 618 CO 0.06 0.35 0.18 0.50 -0.69 0.00 0.00 178.15 178.55 1dqa h LYS 619 N 0.79 1.12 -0.40 2.37 3.64 -0.56 -0.95 116.57 122.58 1dqa h LYS 619 Ca 0.16 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1dqa h LYS 619 Cb 0.42 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1dqa h LYS 619 CO 0.01 0.98 0.26 1.49 -2.27 0.00 0.00 179.45 179.92 1dqa h GLU 620 N 1.05 0.54 -0.43 1.90 4.81 -1.04 0.11 114.58 121.52 1dqa h GLU 620 Ca 0.22 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1dqa h GLU 620 Cb 0.36 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1dqa h GLU 620 CO 0.00 0.38 0.06 0.00 -0.73 0.00 0.00 179.01 178.71 1dqa h ALA 621 N 1.13 0.57 0.52 2.92 0.00 -1.21 -2.70 119.26 120.49 1dqa h ALA 621 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1dqa h ALA 621 Cb -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dqa h ALA 621 CO -0.03 0.31 -0.25 0.35 0.00 0.00 0.00 179.25 179.63 1dqa h PHE 622 N 0.58 -0.65 0.00 0.00 3.57 -0.83 -3.15 116.94 116.46 1dqa h PHE 622 Ca 0.13 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1dqa h PHE 622 Cb 0.40 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1dqa h PHE 622 CO 0.03 -0.36 -0.06 -0.44 -2.23 0.00 0.00 178.31 175.24 1dqa h ASP 623 N -0.79 0.00 0.60 0.41 5.19 -0.83 -2.82 116.42 118.18 1dqa h ASP 623 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1dqa h ASP 623 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1dqa h ASP 623 CO 0.12 0.06 0.00 -1.54 -3.12 0.00 0.00 179.24 174.76 1dqa n SER 624 N -3.49 0.60 -0.28 6.45 3.41 -1.02 -2.43 113.62 116.85 1dqa n SER 624 Ca -0.02 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.40 1dqa n SER 624 Cb 0.19 -0.79 0.62 0.00 -0.26 0.00 0.00 64.21 63.98 1dqa n SER 624 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dqa n THR 625 N -2.18 0.00 -3.56 6.66 -2.24 -1.06 -4.94 114.28 106.96 1dqa n THR 625 Ca 0.02 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1dqa n THR 625 Cb 0.19 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 1dqa n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dqa s SER 626 N -2.13 -0.42 0.11 3.42 0.15 -1.02 -4.95 113.70 108.85 1dqa s SER 626 Ca 0.37 0.04 0.25 0.00 0.70 0.00 0.00 55.95 57.31 1dqa s SER 626 Cb 0.21 0.51 0.44 0.00 -1.71 0.00 0.00 66.02 65.47 1dqa s SER 626 CO 0.39 -0.79 1.40 0.54 1.20 0.00 0.00 173.24 175.97 1dqa n ARG 627 N 0.13 0.24 0.00 5.44 1.74 -1.26 -4.49 116.66 118.46 1dqa n ARG 627 Ca -0.18 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1dqa n ARG 627 Cb 0.62 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1dqa n ARG 627 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1dqa n PHE 628 N -2.02 0.00 -1.94 -1.55 3.01 -1.26 -5.00 117.46 108.70 1dqa n PHE 628 Ca 0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 1dqa n PHE 628 Cb 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 1dqa n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dqa s ALA 629 N -1.91 3.23 -0.24 4.37 0.00 -1.26 -4.02 121.76 121.93 1dqa s ALA 629 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1dqa s ALA 629 Cb 0.00 -3.89 0.07 0.00 0.00 0.00 0.00 23.12 19.29 1dqa s ALA 629 CO 0.00 -2.04 -0.03 1.03 0.00 0.00 0.00 175.76 174.72 1dqa s ARG 630 N 4.95 1.47 0.19 0.00 1.81 -1.07 -4.45 118.95 121.84 1dqa s ARG 630 Ca 0.80 -1.01 -0.33 0.00 -1.72 0.00 0.00 55.73 53.48 1dqa s ARG 630 Cb -0.30 -2.54 -0.13 0.00 -0.45 0.00 0.00 34.95 31.53 1dqa s ARG 630 CO 0.32 -0.65 1.67 -0.11 -0.68 0.00 0.00 175.30 175.86 1dqa n LEU 631 N 4.69 3.70 -0.11 2.53 7.94 -1.26 -1.54 117.00 132.94 1dqa n LEU 631 Ca -0.10 1.07 -0.19 0.00 -1.11 0.00 0.00 56.01 55.68 1dqa n LEU 631 Cb 0.44 -1.53 -0.09 0.00 0.53 0.00 0.00 43.42 42.77 1dqa n LEU 631 CO 0.17 0.03 -1.24 0.00 -1.11 0.00 0.00 177.39 175.24 1dqa n GLN 632 N 3.78 0.51 -3.83 1.96 6.02 0.85 -4.92 117.38 121.75 1dqa n GLN 632 Ca 0.16 0.16 -0.06 0.00 -0.01 0.00 0.00 57.00 57.26 1dqa n GLN 632 Cb 0.33 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 1dqa n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1dqa s LYS 633 N -2.42 1.66 0.05 -1.09 -2.85 -1.03 -5.04 119.74 109.02 1dqa s LYS 633 Ca -0.30 -0.93 0.05 0.00 -1.00 0.00 0.00 55.97 53.79 1dqa s LYS 633 Cb 0.10 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 1dqa s LYS 633 CO 0.45 -0.76 -0.15 -0.51 0.10 0.00 0.00 175.35 174.47 1dqa s LEU 634 N -2.94 2.19 -0.22 2.77 1.43 -1.26 -1.57 118.68 119.08 1dqa s LEU 634 Ca 0.12 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1dqa s LEU 634 Cb -0.05 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1dqa s LEU 634 CO 0.06 0.04 -0.04 -2.28 0.23 0.00 0.00 176.35 174.36 1dqa s HIS 635 N -0.90 2.05 -0.12 0.29 5.65 -0.72 -4.98 115.29 116.55 1dqa s HIS 635 Ca 0.02 -1.50 -0.03 0.00 0.25 0.00 0.00 55.06 53.80 1dqa s HIS 635 Cb -0.08 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.85 1dqa s HIS 635 CO 0.02 -0.72 -0.02 0.95 -0.65 0.00 0.00 174.74 174.31 1dqa s THR 636 N 1.51 4.08 0.01 0.89 -4.23 -1.26 -0.40 115.64 116.23 1dqa s THR 636 Ca -0.04 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1dqa s THR 636 Cb -0.18 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1dqa s THR 636 CO -0.07 0.54 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.96 1dqa s SER 637 N -0.19 0.46 0.08 3.99 0.15 0.23 -5.00 113.70 113.42 1dqa s SER 637 Ca 0.04 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1dqa s SER 637 Cb -0.13 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1dqa s SER 637 CO 0.02 -0.02 0.02 -0.63 1.20 0.00 0.00 173.24 173.83 1dqa s ILE 638 N -0.39 4.19 -0.38 6.45 1.01 -1.26 -0.52 121.20 130.30 1dqa s ILE 638 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1dqa s ILE 638 Cb -0.03 -2.99 0.15 0.00 0.01 0.00 0.00 42.46 39.59 1dqa s ILE 638 CO -0.00 0.14 0.26 0.00 0.00 0.00 0.00 174.94 175.34 1dqa s ALA 639 N -1.32 1.14 0.00 9.38 0.00 -0.80 -4.99 121.76 125.17 1dqa s ALA 639 Ca 0.26 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1dqa s ALA 639 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1dqa s ALA 639 CO 0.19 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.30 1dqa n GLY 640 N 3.57 3.43 0.06 0.00 0.00 -1.26 -1.53 105.19 109.47 1dqa n GLY 640 Ca 0.19 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1dqa n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dqa n ARG 641 N 13.60 0.51 -2.92 1.61 1.85 -1.26 -4.38 116.66 125.67 1dqa n ARG 641 Ca 0.00 -0.11 -0.38 0.00 -1.00 0.00 0.00 57.85 56.36 1dqa n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 1dqa n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1dqa s ASN 642 N -2.57 7.30 -0.08 2.89 -0.87 -0.58 -1.61 114.94 119.42 1dqa s ASN 642 Ca 0.27 1.67 0.01 0.00 -1.57 0.00 0.00 52.86 53.24 1dqa s ASN 642 Cb 0.20 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.93 1dqa s ASN 642 CO 0.48 0.06 -0.09 -0.22 -2.57 0.00 0.00 177.10 174.75 1dqa s LEU 643 N -1.72 1.41 -0.18 0.60 2.96 0.37 -1.90 118.68 120.22 1dqa s LEU 643 Ca 0.43 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1dqa s LEU 643 Cb -0.20 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1dqa s LEU 643 CO 0.24 -0.04 0.01 -0.31 -1.32 0.00 0.00 176.35 174.94 1dqa s TYR 644 N 1.16 3.12 -0.24 5.38 1.51 0.32 -1.16 117.35 127.43 1dqa s TYR 644 Ca -0.06 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1dqa s TYR 644 Cb -0.14 -2.04 0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1dqa s TYR 644 CO -0.02 -0.01 -0.10 0.42 -1.11 0.00 0.00 175.55 174.72 1dqa s ILE 645 N 0.55 1.97 -0.55 2.71 1.01 -1.01 -0.60 121.20 125.28 1dqa s ILE 645 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 60.65 59.01 1dqa s ILE 645 Cb -0.14 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.31 1dqa s ILE 645 CO 0.02 0.02 0.78 -0.60 0.00 0.00 0.00 174.94 175.17 1dqa s ARG 646 N 1.21 3.18 -0.07 2.79 3.52 0.46 -3.19 118.95 126.85 1dqa s ARG 646 Ca -0.06 -0.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.55 1dqa s ARG 646 Cb -0.19 -4.12 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 1dqa s ARG 646 CO -0.06 -1.43 0.83 -0.06 -0.81 0.00 0.00 175.30 173.77 1dqa s PHE 647 N 3.27 3.57 -0.13 5.12 0.40 0.39 -1.76 117.98 128.83 1dqa s PHE 647 Ca 0.21 1.41 0.02 0.00 -0.60 0.00 0.00 56.93 57.97 1dqa s PHE 647 Cb -0.17 -2.97 0.01 0.00 0.51 0.00 0.00 43.02 40.40 1dqa s PHE 647 CO 0.13 -0.03 -0.20 -1.14 0.70 0.00 0.00 175.22 174.69 1dqa s GLN 648 N 1.21 2.76 -0.01 0.44 0.74 -0.61 -1.83 119.66 122.37 1dqa s GLN 648 Ca 0.43 -0.76 -0.04 0.00 0.05 0.00 0.00 55.36 55.04 1dqa s GLN 648 Cb -0.19 -2.26 -0.00 0.00 1.10 0.00 0.00 33.01 31.66 1dqa s GLN 648 CO 0.20 -0.03 0.08 0.45 -0.55 0.00 0.00 175.29 175.44 1dqa s SER 649 N 0.87 0.04 0.84 6.67 0.15 -0.08 -0.10 113.70 122.09 1dqa s SER 649 Ca -0.07 -0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 1dqa s SER 649 Cb -0.15 0.18 0.10 0.00 -1.71 0.00 0.00 66.02 64.43 1dqa s SER 649 CO -0.02 -0.25 1.09 -0.13 1.20 0.00 0.00 173.24 175.13 1dqa s ARG 650 N -0.97 1.70 -0.06 5.44 0.52 -0.59 -1.04 118.95 123.95 1dqa s ARG 650 Ca -0.11 0.90 0.13 0.00 -0.52 0.00 0.00 55.73 56.13 1dqa s ARG 650 Cb -0.06 -1.85 0.25 0.00 0.52 0.00 0.00 34.95 33.80 1dqa s ARG 650 CO 0.00 -1.95 1.13 -1.13 0.02 0.00 0.00 175.30 173.37 1dqa n SER 651 N -3.70 -0.09 0.00 0.23 3.41 -1.26 -2.61 113.62 109.60 1dqa n SER 651 Ca 0.08 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1dqa n SER 651 Cb 0.55 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1dqa n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqa n GLY 652 N -0.05 3.24 0.75 5.00 0.00 -1.26 -1.81 105.19 111.07 1dqa n GLY 652 Ca -0.11 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1dqa n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dqa n ASP 653 N 2.79 2.28 -4.86 1.61 8.00 -1.26 -3.68 116.55 121.43 1dqa n ASP 653 Ca 0.00 -1.78 -0.32 0.00 0.71 0.00 0.00 54.79 53.40 1dqa n ASP 653 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1dqa n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dqa s ALA 654 N -1.80 3.35 0.37 2.24 0.00 -0.75 0.02 121.76 125.19 1dqa s ALA 654 Ca 0.34 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1dqa s ALA 654 Cb 0.20 -2.71 0.71 0.00 0.00 0.00 0.00 23.12 21.32 1dqa s ALA 654 CO 0.30 0.24 1.99 1.98 0.00 0.00 0.00 175.76 180.26 1dqa h MET 655 N 1.94 0.64 0.00 0.00 4.05 -1.73 -3.44 114.93 116.39 1dqa h MET 655 Ca -0.48 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1dqa h MET 655 Cb 1.18 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1dqa h MET 655 CO 0.65 0.48 0.00 0.41 0.23 0.00 0.00 176.91 178.68 1dqa n GLY 656 N -1.29 0.75 0.25 1.39 0.00 -1.26 -4.75 105.19 100.27 1dqa n GLY 656 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1dqa n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1dqa h MET 657 N 3.77 0.59 -0.04 1.61 2.86 -1.94 0.17 114.93 121.94 1dqa h MET 657 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1dqa h MET 657 Cb 0.00 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 1dqa h MET 657 CO 0.00 0.39 -0.02 -0.91 1.06 0.00 0.00 176.91 177.43 1dqa h ASN 658 N 0.61 0.09 -0.54 1.22 2.35 -1.99 -1.08 115.58 116.24 1dqa h ASN 658 Ca 0.29 -0.42 0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1dqa h ASN 658 Cb 0.22 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 1dqa h ASN 658 CO -0.20 0.49 0.16 0.24 -1.65 0.00 0.00 177.43 176.47 1dqa h MET 659 N -0.31 0.31 -0.31 0.81 2.86 -1.92 -0.04 114.93 116.34 1dqa h MET 659 Ca 0.01 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1dqa h MET 659 Cb 0.46 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1dqa h MET 659 CO 0.01 0.20 -0.35 0.82 1.06 0.00 0.00 176.91 178.65 1dqa h ILE 660 N 0.32 1.29 -0.57 -1.22 5.03 -0.65 -1.82 117.51 119.88 1dqa h ILE 660 Ca 0.27 -1.50 -0.11 0.00 -0.12 0.00 0.00 64.86 63.41 1dqa h ILE 660 Cb 0.35 1.42 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 1dqa h ILE 660 CO -0.31 0.48 -0.06 0.28 -0.68 0.00 0.00 178.15 177.86 1dqa h SER 661 N 0.57 1.03 -0.22 1.72 0.02 -0.65 -0.12 113.55 115.89 1dqa h SER 661 Ca 0.06 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1dqa h SER 661 Cb 0.87 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1dqa h SER 661 CO 0.08 1.11 0.14 0.11 -1.14 0.00 0.00 176.83 177.12 1dqa h LYS 662 N 0.93 0.30 -0.85 3.45 1.57 -0.87 -0.71 116.57 120.38 1dqa h LYS 662 Ca 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1dqa h LYS 662 Cb 0.62 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1dqa h LYS 662 CO 0.04 0.23 0.41 0.78 -0.57 0.00 0.00 179.45 180.34 1dqa h GLY 663 N 0.28 1.32 0.92 3.86 0.00 -1.08 -2.52 103.07 105.85 1dqa h GLY 663 Ca 0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1dqa h GLY 663 CO -0.02 0.62 0.13 -0.84 0.00 0.00 0.00 176.54 176.44 1dqa h THR 664 N 1.22 1.18 -0.39 4.70 2.02 -0.73 -0.36 112.91 120.55 1dqa h THR 664 Ca 0.29 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.99 1dqa h THR 664 Cb 0.12 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1dqa h THR 664 CO -0.04 0.19 0.13 -0.08 0.37 0.00 0.00 175.52 176.09 1dqa h GLU 665 N 0.36 0.28 -0.59 6.66 4.81 -1.02 0.78 114.58 125.86 1dqa h GLU 665 Ca 0.10 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1dqa h GLU 665 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1dqa h GLU 665 CO -0.01 0.18 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.21 1dqa h LYS 666 N 0.29 1.07 -0.67 1.92 3.64 -1.22 -2.56 116.57 119.04 1dqa h LYS 666 Ca 0.18 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1dqa h LYS 666 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1dqa h LYS 666 CO -0.19 1.06 0.42 0.00 -2.27 0.00 0.00 179.45 178.47 1dqa h ALA 667 N 0.97 0.85 -0.58 5.00 0.00 -0.52 -2.22 119.26 122.77 1dqa h ALA 667 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1dqa h ALA 667 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1dqa h ALA 667 CO 0.04 0.30 0.04 -0.07 0.00 0.00 0.00 179.25 179.56 1dqa h LEU 668 N 0.90 0.93 -0.72 0.00 3.38 -0.75 -1.03 115.31 118.02 1dqa h LEU 668 Ca 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dqa h LEU 668 Cb -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1dqa h LEU 668 CO -0.05 0.96 0.43 0.28 0.09 0.00 0.00 178.44 180.16 1dqa h SER 669 N 0.90 0.87 -0.49 -0.43 0.02 -1.13 -0.95 113.55 112.34 1dqa h SER 669 Ca 0.17 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1dqa h SER 669 Cb 0.47 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1dqa h SER 669 CO 0.02 0.68 0.19 0.50 -1.14 0.00 0.00 176.83 177.08 1dqa h LYS 670 N 0.98 0.73 -0.56 3.45 1.63 -1.11 -2.62 116.57 119.07 1dqa h LYS 670 Ca 0.26 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1dqa h LYS 670 Cb -0.03 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1dqa h LYS 670 CO -0.05 0.65 0.26 1.25 -3.45 0.00 0.00 179.45 178.12 1dqa h LEU 671 N 0.65 0.70 -2.12 5.20 5.85 -0.90 -1.34 115.31 123.34 1dqa h LEU 671 Ca 0.16 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1dqa h LEU 671 Cb 0.20 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1dqa h LEU 671 CO -0.01 0.60 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.90 1dqa h HIS 672 N 0.78 0.00 -0.10 1.25 2.76 -0.81 -0.12 115.15 118.92 1dqa h HIS 672 Ca 0.19 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.23 1dqa h HIS 672 Cb 0.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1dqa h HIS 672 CO 0.01 0.05 -0.55 0.93 -1.30 0.00 0.00 177.93 177.07 1dqa h GLU 673 N 0.00 0.28 0.02 5.26 5.08 -1.06 -2.52 114.58 121.64 1dqa h GLU 673 Ca -0.00 -0.18 -0.25 0.00 -1.00 0.00 0.00 59.36 57.93 1dqa h GLU 673 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1dqa h GLU 673 CO 0.01 0.76 -1.29 1.88 -1.00 0.00 0.00 179.01 179.36 1dqa h TYR 674 N 0.22 0.07 -2.69 4.33 -1.99 -1.18 -3.41 116.97 112.32 1dqa h TYR 674 Ca 0.00 -0.05 -0.60 0.00 2.00 0.00 0.00 58.73 60.08 1dqa h TYR 674 Cb 1.04 -0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.37 1dqa h TYR 674 CO 0.02 1.06 -0.81 -0.06 -0.00 0.00 0.00 178.16 178.37 1dqa s PHE 675 N -2.66 1.97 -0.32 4.88 0.40 -0.20 -4.97 117.98 117.07 1dqa s PHE 675 Ca -0.02 -2.62 0.22 0.00 -0.60 0.00 0.00 56.93 53.91 1dqa s PHE 675 Cb 0.09 -1.61 1.07 0.00 0.51 0.00 0.00 43.02 43.08 1dqa s PHE 675 CO 0.83 -0.73 1.66 -0.35 0.70 0.00 0.00 175.22 177.32 1dqa n PRO 676 N 2.74 0.15 0.00 0.24 -0.04 -0.96 -1.38 135.00 135.76 1dqa n PRO 676 Ca 0.23 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.38 1dqa n PRO 676 Cb 0.41 -1.91 0.50 0.00 -0.04 0.00 0.00 33.50 32.46 1dqa n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dqa n GLU 677 N -2.22 0.62 -2.40 0.54 1.02 -1.26 -4.86 120.64 112.07 1dqa n GLU 677 Ca -0.00 -0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.44 1dqa n GLU 677 Cb 0.10 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1dqa n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1dqa s MET 678 N -2.57 4.38 -0.21 3.49 1.75 -0.48 -4.50 119.30 121.17 1dqa s MET 678 Ca 0.25 1.77 -0.11 0.00 -1.25 0.00 0.00 55.69 56.35 1dqa s MET 678 Cb 0.19 -3.46 -0.05 0.00 2.84 0.00 0.00 34.83 34.36 1dqa s MET 678 CO 0.51 -0.38 0.16 -1.14 -0.65 0.00 0.00 175.02 173.53 1dqa s GLN 679 N 1.69 4.17 -0.49 4.11 0.74 0.38 -4.96 119.66 125.30 1dqa s GLN 679 Ca 0.58 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 55.60 1dqa s GLN 679 Cb -0.28 -3.45 0.04 0.00 1.10 0.00 0.00 33.01 30.42 1dqa s GLN 679 CO 0.26 0.22 0.68 0.42 -0.55 0.00 0.00 175.29 176.32 1dqa s ILE 680 N 0.58 4.78 -0.08 -2.34 1.01 -1.26 -1.04 121.20 122.86 1dqa s ILE 680 Ca 0.09 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.30 1dqa s ILE 680 Cb -0.12 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 1dqa s ILE 680 CO 0.01 -0.78 0.98 -0.07 0.00 0.00 0.00 174.94 175.07 1dqa h LEU 681 N 9.89 0.10 -7.04 2.97 3.38 -1.73 -3.48 115.31 119.41 1dqa h LEU 681 Ca -0.27 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 56.88 1dqa h LEU 681 Cb 1.09 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 1dqa h LEU 681 CO 0.96 0.89 0.03 0.00 0.09 0.00 0.00 178.44 180.41 1dqa s ALA 682 N -3.01 -1.72 0.58 1.53 0.00 -1.05 -5.01 121.76 113.09 1dqa s ALA 682 Ca -0.17 2.10 0.28 0.00 0.00 0.00 0.00 51.96 54.18 1dqa s ALA 682 Cb -0.00 -1.23 1.76 0.00 0.00 0.00 0.00 23.12 23.64 1dqa s ALA 682 CO 0.71 -0.34 2.23 -0.24 0.00 0.00 0.00 175.76 178.12 1dqa h VAL 683 N 4.56 0.57 -3.44 0.00 3.04 -1.92 -1.84 116.25 117.21 1dqa h VAL 683 Ca -0.30 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 64.78 1dqa h VAL 683 Cb 1.19 0.99 -0.37 0.00 -2.01 0.00 0.00 31.29 31.09 1dqa h VAL 683 CO 0.13 0.00 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.33 1dqa s SER 684 N -6.22 3.38 -0.24 3.17 0.15 -1.26 -2.81 113.70 109.87 1dqa s SER 684 Ca -0.05 -0.90 0.13 0.00 0.70 0.00 0.00 55.95 55.84 1dqa s SER 684 Cb 0.15 -1.19 0.61 0.00 -1.71 0.00 0.00 66.02 63.88 1dqa s SER 684 CO 0.56 -0.16 1.56 0.61 1.20 0.00 0.00 173.24 177.01 1dqa n GLY 685 N 4.70 4.02 2.36 9.45 0.00 0.58 -4.74 105.19 121.57 1dqa n GLY 685 Ca -0.14 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 1dqa n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqa n ASN 686 N -0.44 -4.32 -1.29 1.61 4.13 -1.24 -4.81 115.26 108.90 1dqa n ASN 686 Ca 0.29 0.16 0.12 0.00 1.68 0.00 0.00 54.58 56.84 1dqa n ASN 686 Cb 1.08 -2.40 0.29 0.00 -1.54 0.00 0.00 39.78 37.21 1dqa n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dqa n TYR 687 N -2.64 0.83 0.30 3.10 9.36 -1.18 -4.60 117.16 122.33 1dqa n TYR 687 Ca -0.07 -0.42 -0.12 0.00 3.32 0.00 0.00 57.90 60.61 1dqa n TYR 687 Cb 0.30 -0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.96 1dqa n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dqa s THR 689 N -4.44 3.56 -0.25 0.00 2.01 -1.26 -4.71 115.64 110.55 1dqa s THR 689 Ca -0.12 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1dqa s THR 689 Cb 0.01 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1dqa s THR 689 CO 0.35 0.55 0.15 -0.62 -0.69 0.00 0.00 174.62 174.36 1dqa s ASP 690 N -0.17 5.95 -1.79 3.53 2.15 -1.26 -4.60 116.67 120.48 1dqa s ASP 690 Ca 0.02 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1dqa s ASP 690 Cb -0.13 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1dqa s ASP 690 CO 0.03 0.02 0.00 0.29 -0.17 0.00 0.00 175.17 175.34 1dqa n LYS 691 N 4.57 -1.25 -4.08 4.34 5.02 -1.26 -5.00 118.16 120.51 1dqa n LYS 691 Ca -0.15 1.07 -0.14 0.00 -2.02 0.00 0.00 58.31 57.07 1dqa n LYS 691 Cb 0.52 -5.35 -0.13 0.00 -0.02 0.00 0.00 35.03 30.05 1dqa n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqa s LYS 692 N -3.75 0.41 0.26 1.97 3.01 -1.26 -4.95 119.74 115.43 1dqa s LYS 692 Ca 0.00 -0.42 -0.30 0.00 -1.01 0.00 0.00 55.97 54.24 1dqa s LYS 692 Cb 0.00 -0.28 -0.11 0.00 -1.01 0.00 0.00 37.83 36.43 1dqa s LYS 692 CO 0.00 0.07 1.53 -1.25 0.51 0.00 0.00 175.35 176.20 1dqa s PRO 693 N -0.77 4.20 -0.24 -1.68 0.04 -1.26 -4.74 135.00 130.54 1dqa s PRO 693 Ca -0.04 2.43 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 1dqa s PRO 693 Cb -0.06 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.48 1dqa s PRO 693 CO -0.00 -0.54 0.60 0.00 0.04 0.00 0.00 177.00 177.11 1dqa s ALA 694 N 0.16 -1.60 0.50 8.56 0.00 -1.26 -5.03 121.76 123.10 1dqa s ALA 694 Ca 0.63 2.07 0.17 0.00 0.00 0.00 0.00 51.96 54.82 1dqa s ALA 694 Cb -0.45 -1.22 1.24 0.00 0.00 0.00 0.00 23.12 22.69 1dqa s ALA 694 CO 0.43 -0.33 2.11 0.00 0.00 0.00 0.00 175.76 177.98 1dqa h ALA 695 N 6.67 1.88 -0.63 0.00 0.00 -1.94 -2.48 119.26 122.77 1dqa h ALA 695 Ca -0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1dqa h ALA 695 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1dqa h ALA 695 CO 0.19 0.06 0.41 0.97 0.00 0.00 0.00 179.25 180.87 1dqa h ILE 696 N 0.00 1.16 -0.34 0.00 2.10 -1.97 0.81 117.51 119.28 1dqa h ILE 696 Ca -0.00 -0.31 -0.17 0.00 1.08 0.00 0.00 64.86 65.45 1dqa h ILE 696 Cb 0.09 0.25 -0.00 0.00 -1.09 0.00 0.00 36.82 36.07 1dqa h ILE 696 CO 0.01 0.16 -0.47 0.78 -1.08 0.00 0.00 178.15 177.55 1dqa h ASN 697 N 0.85 0.98 -0.59 2.19 2.35 -1.71 0.92 115.58 120.57 1dqa h ASN 697 Ca 0.23 -0.49 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1dqa h ASN 697 Cb -0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 1dqa h ASN 697 CO -0.05 1.29 0.13 -0.25 -1.65 0.00 0.00 177.43 176.90 1dqa h TRP 698 N 0.71 1.01 0.16 1.19 2.91 -1.42 0.05 115.95 120.57 1dqa h TRP 698 Ca 0.04 -0.13 -0.29 0.00 1.13 0.00 0.00 58.89 59.65 1dqa h TRP 698 Cb 1.07 -0.28 0.01 0.00 -0.51 0.00 0.00 29.16 29.45 1dqa h TRP 698 CO 0.07 0.86 -1.37 0.82 -1.03 0.00 0.00 178.44 177.78 1dqa h ILE 699 N 0.86 1.16 0.00 2.65 2.04 -0.77 -3.38 117.51 120.07 1dqa h ILE 699 Ca 0.18 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1dqa h ILE 699 Cb 0.37 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1dqa h ILE 699 CO 0.00 0.76 -1.26 -0.62 0.00 0.00 0.00 178.15 177.04 1dqa n GLU 700 N -3.86 0.38 0.00 2.37 4.71 0.31 -5.09 120.64 119.46 1dqa n GLU 700 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 56.90 1dqa n GLU 700 Cb 0.96 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.80 1dqa n GLU 700 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dqa n GLY 701 N 1.34 -1.04 3.64 0.62 0.00 0.00 -5.03 105.19 104.72 1dqa n GLY 701 Ca 0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 1dqa n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dqa s ARG 702 N -2.53 0.61 7.18 1.61 3.52 -1.06 -4.66 118.95 123.62 1dqa s ARG 702 Ca 0.00 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1dqa s ARG 702 Cb 0.00 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1dqa s ARG 702 CO 0.00 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1dqa n GLY 703 N 4.20 2.02 3.63 8.12 0.00 -0.02 -3.07 105.19 120.07 1dqa n GLY 703 Ca -0.19 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1dqa n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dqa s LYS 704 N 0.00 3.83 -0.21 1.61 1.02 0.37 -0.43 119.74 125.92 1dqa s LYS 704 Ca 0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 1dqa s LYS 704 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1dqa s LYS 704 CO 0.00 0.33 0.09 -1.12 -0.92 0.00 0.00 175.35 173.73 1dqa s SER 705 N 0.18 5.64 0.06 2.83 0.01 -0.48 -0.83 113.70 121.11 1dqa s SER 705 Ca 0.04 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1dqa s SER 705 Cb -0.12 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 1dqa s SER 705 CO 0.01 0.11 -0.06 -0.69 0.41 0.00 0.00 173.24 173.01 1dqa s VAL 706 N 0.77 0.53 0.01 3.43 1.01 0.46 0.71 120.40 127.31 1dqa s VAL 706 Ca 0.04 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1dqa s VAL 706 Cb -0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1dqa s VAL 706 CO 0.02 -0.64 -0.03 0.54 0.00 0.00 0.00 175.10 174.99 1dqa s VAL 707 N -2.47 0.18 0.06 2.92 0.11 -0.63 -0.75 120.40 119.81 1dqa s VAL 707 Ca -0.01 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1dqa s VAL 707 Cb -0.03 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1dqa s VAL 707 CO -0.03 -0.26 0.13 0.00 -3.33 0.00 0.00 175.10 171.61 1dqa s GLU 709 N -3.28 1.41 0.00 0.00 -1.05 0.06 -1.65 118.70 114.20 1dqa s GLU 709 Ca 0.01 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.50 1dqa s GLU 709 Cb 0.03 0.49 0.10 0.00 -0.44 0.00 0.00 34.13 34.30 1dqa s GLU 709 CO -0.08 -0.59 0.90 0.00 0.95 0.00 0.00 175.26 176.45 1dqa s ALA 710 N -3.94 -1.82 -0.12 -0.84 0.00 -0.67 -1.40 121.76 112.98 1dqa s ALA 710 Ca 0.15 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1dqa s ALA 710 Cb -0.00 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1dqa s ALA 710 CO 0.02 -0.72 -0.20 0.08 0.00 0.00 0.00 175.76 174.94 1dqa s VAL 711 N -3.12 1.88 -0.26 0.00 1.01 -1.26 -1.21 120.40 117.45 1dqa s VAL 711 Ca 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1dqa s VAL 711 Cb -0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1dqa s VAL 711 CO -0.08 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 174.97 1dqa s ILE 712 N 0.78 4.09 0.40 2.22 -1.09 0.11 -4.60 121.20 123.12 1dqa s ILE 712 Ca -0.09 -0.38 -0.26 0.00 -2.23 0.00 0.00 60.65 57.69 1dqa s ILE 712 Cb -0.16 -2.97 -0.11 0.00 -1.58 0.00 0.00 42.46 37.65 1dqa s ILE 712 CO -0.00 0.27 1.23 -2.65 -1.23 0.00 0.00 174.94 172.56 1dqa n PRO 713 N 4.89 1.88 -0.34 2.79 -0.02 -1.26 -0.81 135.00 142.14 1dqa n PRO 713 Ca -0.16 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1dqa n PRO 713 Cb 0.50 -2.31 0.33 0.00 -0.02 0.00 0.00 33.50 32.00 1dqa n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dqa h ALA 714 N 2.11 1.64 -0.42 3.55 0.00 -1.92 -0.01 119.26 124.21 1dqa h ALA 714 Ca -0.47 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1dqa h ALA 714 Cb 1.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1dqa h ALA 714 CO 0.60 -0.18 0.01 -0.22 0.00 0.00 0.00 179.25 179.46 1dqa h LYS 715 N 0.62 0.68 -0.22 0.00 3.64 -1.89 -1.89 116.57 117.51 1dqa h LYS 715 Ca 0.59 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1dqa h LYS 715 Cb 1.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1dqa h LYS 715 CO -0.44 0.69 -0.30 0.28 -2.27 0.00 0.00 179.45 177.41 1dqa h VAL 716 N 0.64 1.32 -0.86 2.00 2.07 -1.39 -0.10 116.25 119.93 1dqa h VAL 716 Ca 0.13 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.23 1dqa h VAL 716 Cb 0.39 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1dqa h VAL 716 CO 0.01 0.46 0.52 0.58 0.02 0.00 0.00 177.57 179.17 1dqa h VAL 717 N 0.28 1.00 0.12 2.57 2.07 -1.02 0.36 116.25 121.64 1dqa h VAL 717 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1dqa h VAL 717 Cb 0.87 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1dqa h VAL 717 CO 0.07 0.17 -0.06 0.03 0.02 0.00 0.00 177.57 177.80 1dqa h ARG 718 N 0.93 -0.16 -0.06 1.57 3.08 -1.23 -2.07 114.38 116.43 1dqa h ARG 718 Ca 0.39 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.34 1dqa h ARG 718 Cb 0.24 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.34 1dqa h ARG 718 CO -0.20 0.30 -0.40 0.93 -1.07 0.00 0.00 179.97 179.53 1dqa h GLU 719 N -0.74 0.38 0.02 0.04 5.08 -0.84 -1.79 114.58 116.73 1dqa h GLU 719 Ca -0.02 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.88 1dqa h GLU 719 Cb 0.54 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1dqa h GLU 719 CO 0.03 0.97 -0.72 0.28 -1.00 0.00 0.00 179.01 178.57 1dqa h VAL 720 N -0.11 1.32 -0.00 3.13 2.07 -0.47 -3.38 116.25 118.81 1dqa h VAL 720 Ca -0.03 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1dqa h VAL 720 Cb 1.07 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1dqa h VAL 720 CO 0.08 0.49 -0.17 0.18 0.02 0.00 0.00 177.57 178.18 1dqa n LEU 721 N -4.45 0.36 -3.51 2.57 4.77 -1.05 -4.96 117.00 110.74 1dqa n LEU 721 Ca -0.21 0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 1dqa n LEU 721 Cb 0.62 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1dqa n LEU 721 CO 0.28 0.07 0.08 0.29 -1.33 0.00 0.00 177.39 176.79 1dqa n LYS 722 N -1.21 -5.48 -0.24 3.23 4.76 -0.67 -4.65 118.16 113.90 1dqa n LYS 722 Ca 0.11 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1dqa n LYS 722 Cb 0.31 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 27.90 1dqa n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1dqa n THR 723 N -4.57 0.00 -4.26 -0.18 5.66 -0.99 -4.76 114.28 105.17 1dqa n THR 723 Ca -0.02 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.83 1dqa n THR 723 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 1dqa n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dqa s THR 724 N -2.51 1.26 0.21 1.09 -4.23 -1.26 -3.16 115.64 107.04 1dqa s THR 724 Ca 0.00 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1dqa s THR 724 Cb 0.00 -1.78 0.14 0.00 1.34 0.00 0.00 72.50 72.20 1dqa s THR 724 CO 0.00 -0.66 1.84 0.74 -0.54 0.00 0.00 174.62 176.00 1dqa h THR 725 N 2.93 1.08 -0.41 3.99 2.02 -1.90 -1.91 112.91 118.70 1dqa h THR 725 Ca -0.37 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1dqa h THR 725 Cb 1.20 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1dqa h THR 725 CO 0.60 0.15 0.27 -0.08 0.37 0.00 0.00 175.52 176.83 1dqa h GLU 726 N 0.83 0.53 -0.69 6.66 4.81 -1.93 -1.50 114.58 123.28 1dqa h GLU 726 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1dqa h GLU 726 Cb 0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1dqa h GLU 726 CO -0.12 0.35 0.35 0.00 -0.73 0.00 0.00 179.01 178.86 1dqa h ALA 727 N 1.15 0.89 -0.11 2.92 0.00 -1.88 -1.61 119.26 120.63 1dqa h ALA 727 Ca 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dqa h ALA 727 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1dqa h ALA 727 CO -0.04 0.43 0.04 0.52 0.00 0.00 0.00 179.25 180.20 1dqa h MET 728 N 0.96 0.09 -0.28 0.00 2.86 -0.96 -1.06 114.93 116.54 1dqa h MET 728 Ca 0.24 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1dqa h MET 728 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1dqa h MET 728 CO -0.03 0.06 0.18 0.82 1.06 0.00 0.00 176.91 178.99 1dqa h ILE 729 N 0.09 1.09 -0.98 -1.22 2.04 -1.13 0.11 117.51 117.51 1dqa h ILE 729 Ca 0.04 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1dqa h ILE 729 Cb 0.02 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1dqa h ILE 729 CO -0.04 0.08 0.64 -0.08 0.00 0.00 0.00 178.15 178.75 1dqa h GLU 730 N 0.36 1.26 -0.18 2.37 4.57 -1.16 -0.21 114.58 121.60 1dqa h GLU 730 Ca 0.10 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1dqa h GLU 730 Cb -0.02 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.29 1dqa h GLU 730 CO -0.02 0.84 -0.46 0.28 -1.18 0.00 0.00 179.01 178.46 1dqa h VAL 731 N 1.30 1.33 -0.09 0.32 2.07 -0.93 -2.57 116.25 117.68 1dqa h VAL 731 Ca 0.36 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1dqa h VAL 731 Cb -0.12 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1dqa h VAL 731 CO -0.09 0.53 -0.04 -1.13 0.02 0.00 0.00 177.57 176.86 1dqa h ASN 732 N 0.31 -0.13 -0.09 0.57 -1.24 -0.21 0.49 115.58 115.28 1dqa h ASN 732 Ca -0.01 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1dqa h ASN 732 Cb 1.08 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 1dqa h ASN 732 CO 0.10 -0.05 0.05 0.40 -1.29 0.00 0.00 177.43 176.64 1dqa h ILE 733 N -0.03 1.07 0.00 2.57 2.04 -1.11 -0.21 117.51 121.84 1dqa h ILE 733 Ca 0.05 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1dqa h ILE 733 Cb 0.10 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1dqa h ILE 733 CO -0.11 0.06 0.00 0.78 0.00 0.00 0.00 178.15 178.88 1dqa h ASN 734 N 0.06 0.00 0.00 1.72 2.35 -1.29 -0.40 115.58 118.03 1dqa h ASN 734 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1dqa h ASN 734 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1dqa h ASN 734 CO -0.01 0.00 -0.72 1.17 -1.65 0.00 0.00 177.43 176.22 1dqa n LYS 735 N -2.60 0.38 0.24 0.81 4.81 0.15 -1.66 118.16 120.29 1dqa n LYS 735 Ca 0.04 0.15 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 1dqa n LYS 735 Cb 0.41 -1.16 0.50 0.00 0.02 0.00 0.00 35.03 34.80 1dqa n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1dqa h ASN 736 N -0.72 0.00 0.00 3.14 2.35 -1.17 -2.18 115.58 117.00 1dqa h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dqa h ASN 736 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1dqa h ASN 736 CO 0.00 0.16 -0.25 0.18 -1.65 0.00 0.00 177.43 175.87 1dqa n LEU 737 N -3.30 0.59 -0.09 1.61 4.77 -1.11 -4.22 117.00 115.25 1dqa n LEU 737 Ca 0.00 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1dqa n LEU 737 Cb 0.40 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1dqa n LEU 737 CO 0.32 -0.47 0.82 0.58 -1.33 0.00 0.00 177.39 177.31 1dqa h VAL 738 N -0.25 1.22 -0.66 4.08 2.07 -1.22 -1.82 116.25 119.67 1dqa h VAL 738 Ca 0.00 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1dqa h VAL 738 Cb 0.25 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1dqa h VAL 738 CO 0.00 0.24 0.13 1.23 0.02 0.00 0.00 177.57 179.19 1dqa h GLY 739 N 0.25 1.16 1.76 2.17 0.00 -0.95 -0.55 103.07 106.92 1dqa h GLY 739 Ca 0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1dqa h GLY 739 CO 0.00 0.69 -0.26 1.76 0.00 0.00 0.00 176.54 178.73 1dqa h SER 740 N 1.00 0.28 -0.37 0.19 0.02 -1.36 -1.07 113.55 112.23 1dqa h SER 740 Ca 0.20 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1dqa h SER 740 Cb 0.40 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1dqa h SER 740 CO 0.01 0.55 -0.37 0.00 -1.14 0.00 0.00 176.83 175.87 1dqa h ALA 741 N 1.48 0.54 -0.56 3.77 0.00 -0.88 -0.95 119.26 122.65 1dqa h ALA 741 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1dqa h ALA 741 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dqa h ALA 741 CO 0.04 0.63 0.20 0.52 0.00 0.00 0.00 179.25 180.64 1dqa h MET 742 N 0.71 0.83 0.00 0.00 2.86 -0.63 -1.65 114.93 117.04 1dqa h MET 742 Ca 0.06 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1dqa h MET 742 Cb 0.97 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1dqa h MET 742 CO 0.09 0.70 0.00 0.00 1.06 0.00 0.00 176.91 178.76 1dqa n ALA 743 N -2.46 2.09 -2.63 6.32 0.00 -0.45 -4.93 120.51 118.46 1dqa n ALA 743 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1dqa n ALA 743 Cb 0.18 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.24 1dqa n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dqa n GLY 744 N 0.93 0.47 3.82 0.00 0.00 -0.62 -5.03 105.19 104.75 1dqa n GLY 744 Ca 0.05 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1dqa n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dqa s SER 745 N -3.17 7.04 -0.27 1.61 0.15 -0.41 -5.05 113.70 113.60 1dqa s SER 745 Ca 0.10 1.30 0.03 0.00 0.70 0.00 0.00 55.95 58.08 1dqa s SER 745 Cb -0.04 -2.37 0.07 0.00 -1.71 0.00 0.00 66.02 61.96 1dqa s SER 745 CO 0.18 0.16 -0.09 -0.63 1.20 0.00 0.00 173.24 174.06 1dqa s ILE 746 N -1.32 2.14 0.00 6.45 -1.09 -1.26 -4.68 121.20 121.44 1dqa s ILE 746 Ca 0.36 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.08 1dqa s ILE 746 Cb -0.18 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1dqa s ILE 746 CO 0.20 -0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1dqa n GLY 747 N 4.42 1.19 2.83 6.18 0.00 -1.26 -4.93 105.19 113.63 1dqa n GLY 747 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1dqa n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 748 N -2.00 5.59 2.53 -0.02 0.00 -1.26 -1.74 105.19 108.29 1dqa n GLY 748 Ca 0.00 -2.48 -0.39 0.00 0.00 0.00 0.00 46.02 43.15 1dqa n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dqa n TYR 749 N -0.57 2.52 -3.92 1.61 4.02 -0.84 -4.84 117.16 115.13 1dqa n TYR 749 Ca 0.54 -2.65 -0.08 0.00 -0.01 0.00 0.00 57.90 55.70 1dqa n TYR 749 Cb 0.30 -1.64 -0.04 0.00 -0.02 0.00 0.00 39.34 37.95 1dqa n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1dqa s ASN 750 N -0.01 -0.18 -0.13 7.72 2.20 -1.24 -1.03 114.94 122.26 1dqa s ASN 750 Ca 0.52 -0.76 -0.07 0.00 -0.94 0.00 0.00 52.86 51.61 1dqa s ASN 750 Cb 0.22 0.66 -0.04 0.00 -2.00 0.00 0.00 41.25 40.09 1dqa s ASN 750 CO -0.13 -1.25 -0.03 0.00 -2.94 0.00 0.00 177.10 172.76 1dqa h ALA 751 N 2.12 0.02 -0.22 3.54 0.00 -1.94 -3.46 119.26 119.31 1dqa h ALA 751 Ca -0.22 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1dqa h ALA 751 Cb 1.25 0.28 -0.25 0.00 0.00 0.00 0.00 17.79 19.07 1dqa h ALA 751 CO 0.29 0.28 -0.63 -2.39 0.00 0.00 0.00 179.25 176.80 1dqa n HIS 752 N -4.67 -0.79 -0.33 0.00 1.44 -1.26 -4.93 115.22 104.67 1dqa n HIS 752 Ca -0.06 -1.97 0.15 0.00 -2.01 0.00 0.00 57.72 53.83 1dqa n HIS 752 Cb 0.19 0.84 0.34 0.00 0.12 0.00 0.00 29.99 31.48 1dqa n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dqa h ALA 753 N 1.81 1.63 -0.71 1.59 0.00 -1.88 -0.15 119.26 121.55 1dqa h ALA 753 Ca -0.30 0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.88 1dqa h ALA 753 Cb 1.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1dqa h ALA 753 CO 0.00 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.49 1dqa h ALA 754 N 1.70 2.17 -0.37 0.00 0.00 -1.92 -1.40 119.26 119.44 1dqa h ALA 754 Ca 0.60 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1dqa h ALA 754 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1dqa h ALA 754 CO -0.46 -0.36 0.04 -0.91 0.00 0.00 0.00 179.25 177.55 1dqa h ASN 755 N 0.35 0.60 -0.14 0.00 2.35 -1.42 -1.75 115.58 115.57 1dqa h ASN 755 Ca 0.34 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1dqa h ASN 755 Cb 0.85 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1dqa h ASN 755 CO -0.10 0.73 -0.03 0.40 -1.65 0.00 0.00 177.43 176.78 1dqa h ILE 756 N 0.45 1.29 -0.19 2.81 1.08 -1.37 -2.40 117.51 119.19 1dqa h ILE 756 Ca 0.11 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 1dqa h ILE 756 Cb 0.39 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1dqa h ILE 756 CO 0.01 0.29 0.03 0.58 -0.69 0.00 0.00 178.15 178.37 1dqa h VAL 757 N -0.04 0.90 -0.47 1.67 2.07 -1.31 -1.80 116.25 117.27 1dqa h VAL 757 Ca 0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1dqa h VAL 757 Cb 0.46 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1dqa h VAL 757 CO 0.01 0.02 0.29 0.74 0.02 0.00 0.00 177.57 178.65 1dqa h THR 758 N 0.10 1.14 -0.58 2.57 2.02 -1.32 0.59 112.91 117.42 1dqa h THR 758 Ca 0.09 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1dqa h THR 758 Cb 0.09 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1dqa h THR 758 CO -0.12 0.14 0.01 0.00 0.37 0.00 0.00 175.52 175.92 1dqa h ALA 759 N 1.14 0.90 -0.20 6.16 0.00 -1.27 -0.41 119.26 125.58 1dqa h ALA 759 Ca 0.17 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1dqa h ALA 759 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1dqa h ALA 759 CO -0.03 0.65 -0.64 0.82 0.00 0.00 0.00 179.25 180.05 1dqa h ILE 760 N 0.93 1.30 -0.45 0.00 2.04 -1.17 -1.07 117.51 119.09 1dqa h ILE 760 Ca 0.17 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1dqa h ILE 760 Cb 0.53 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1dqa h ILE 760 CO 0.03 0.59 0.25 1.88 0.00 0.00 0.00 178.15 180.90 1dqa h TYR 761 N 0.53 0.60 -0.51 1.37 -1.99 -0.58 0.10 116.97 116.51 1dqa h TYR 761 Ca -0.01 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.58 1dqa h TYR 761 Cb 1.24 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 1dqa h TYR 761 CO 0.07 0.45 -0.18 0.82 -0.00 0.00 0.00 178.16 179.31 1dqa h ILE 762 N 0.59 1.27 -0.43 -2.88 2.04 -1.09 -0.17 117.51 116.83 1dqa h ILE 762 Ca 0.16 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 1dqa h ILE 762 Cb 0.04 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1dqa h ILE 762 CO -0.03 0.47 -0.06 0.00 0.00 0.00 0.00 178.15 178.53 1dqa h ALA 763 N 0.89 1.08 -0.62 1.87 0.00 -1.01 -3.23 119.26 118.24 1dqa h ALA 763 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dqa h ALA 763 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1dqa h ALA 763 CO 0.06 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1dqa n GLY 765 N 0.93 0.92 3.93 0.00 0.00 -0.98 -4.59 105.19 105.41 1dqa n GLY 765 Ca 0.27 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1dqa n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dqa s GLN 766 N -3.03 1.12 -0.66 1.61 -1.52 -0.11 -2.91 119.66 114.16 1dqa s GLN 766 Ca 0.00 -0.39 -0.22 0.00 -1.95 0.00 0.00 55.36 52.80 1dqa s GLN 766 Cb 0.00 -1.95 0.08 0.00 -0.22 0.00 0.00 33.01 30.92 1dqa s GLN 766 CO 0.00 -2.06 0.92 0.34 -0.25 0.00 0.00 175.29 174.24 1dqa s ASP 767 N -4.79 6.20 0.58 5.90 -1.08 -1.26 -4.73 116.67 117.50 1dqa s ASP 767 Ca 0.70 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.85 1dqa s ASP 767 Cb -0.06 -2.39 1.66 0.00 -1.46 0.00 0.00 42.92 40.66 1dqa s ASP 767 CO 0.51 -1.35 2.15 0.00 0.52 0.00 0.00 175.17 176.99 1dqa h ALA 768 N 9.44 1.78 0.00 3.66 0.00 -1.94 0.49 119.26 132.69 1dqa h ALA 768 Ca -0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1dqa h ALA 768 Cb 1.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dqa h ALA 768 CO 1.16 -0.20 -0.08 0.00 0.00 0.00 0.00 179.25 180.14 1dqa h ALA 769 N 1.86 1.12 0.00 0.00 0.00 -2.01 -1.74 119.26 118.49 1dqa h ALA 769 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dqa h ALA 769 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dqa h ALA 769 CO -0.00 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.38 1dqa n GLN 770 N -3.35 0.87 0.28 0.00 6.02 0.16 -2.93 117.38 118.44 1dqa n GLN 770 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1dqa n GLN 770 Cb 0.25 -1.24 0.81 0.00 1.02 0.00 0.00 30.24 31.07 1dqa n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1dqa h ASN 771 N 0.00 0.00 -0.18 1.08 -1.24 -1.47 -0.01 115.58 113.77 1dqa h ASN 771 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1dqa h ASN 771 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1dqa h ASN 771 CO 0.00 0.06 -0.41 0.58 -1.29 0.00 0.00 177.43 176.38 1dqa h VAL 772 N 0.00 0.16 0.00 2.57 2.07 -1.78 -2.43 116.25 116.84 1dqa h VAL 772 Ca -0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 1dqa h VAL 772 Cb 0.16 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1dqa h VAL 772 CO 0.01 0.00 -1.92 0.61 0.02 0.00 0.00 177.57 176.29 1dqa n GLY 773 N -1.43 -1.07 0.26 2.17 0.00 -1.17 -4.30 105.19 99.65 1dqa n GLY 773 Ca -0.03 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1dqa n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dqa h SER 774 N 0.00 0.00 0.96 1.61 0.02 -0.99 -1.80 113.55 113.35 1dqa h SER 774 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1dqa h SER 774 Cb 1.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1dqa h SER 774 CO 0.03 0.10 0.00 -1.20 -1.14 0.00 0.00 176.83 174.62 1dqa n SER 775 N -4.00 0.54 -4.61 3.07 7.64 -0.92 -4.47 113.62 110.88 1dqa n SER 775 Ca -0.02 0.60 -0.55 0.00 1.01 0.00 0.00 58.87 59.90 1dqa n SER 775 Cb 0.18 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 1dqa n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dqa n ASN 776 N -2.05 1.54 -3.60 6.43 3.02 -0.68 -4.55 115.26 115.37 1dqa n ASN 776 Ca 0.04 1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 55.58 1dqa n ASN 776 Cb 0.30 -1.13 -0.06 0.00 -0.61 0.00 0.00 39.78 38.27 1dqa n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dqa s ILE 778 N -0.32 1.76 -0.21 0.00 2.07 -0.73 -2.00 121.20 121.78 1dqa s ILE 778 Ca -0.01 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 1dqa s ILE 778 Cb -0.03 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 1dqa s ILE 778 CO 0.01 0.49 0.07 -0.89 -1.91 0.00 0.00 174.94 172.70 1dqa s THR 779 N 1.30 4.62 0.05 4.00 2.01 -0.20 -1.60 115.64 125.82 1dqa s THR 779 Ca 0.02 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1dqa s THR 779 Cb -0.13 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1dqa s THR 779 CO -0.09 0.40 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.26 1dqa s LEU 780 N 0.90 2.18 0.00 4.42 1.43 0.18 -4.88 118.68 122.90 1dqa s LEU 780 Ca 0.04 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1dqa s LEU 780 Cb -0.14 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 1dqa s LEU 780 CO 0.03 0.18 -0.03 -0.04 0.23 0.00 0.00 176.35 176.71 1dqa s MET 781 N -1.24 0.27 0.10 1.70 -1.94 -1.26 -1.23 119.30 115.69 1dqa s MET 781 Ca 0.08 -0.18 -0.16 0.00 -1.71 0.00 0.00 55.69 53.73 1dqa s MET 781 Cb -0.09 -0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.56 1dqa s MET 781 CO 0.02 0.06 0.38 -1.83 -0.01 0.00 0.00 175.02 173.64 1dqa s GLU 782 N -0.24 1.01 0.33 2.03 -1.05 -0.67 -4.91 118.70 115.20 1dqa s GLU 782 Ca -0.00 -0.64 -0.27 0.00 -0.15 0.00 0.00 54.97 53.90 1dqa s GLU 782 Cb -0.02 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 1dqa s GLU 782 CO -0.00 -0.38 1.12 0.00 0.95 0.00 0.00 175.26 176.95 1dqa s ALA 783 N -3.45 3.29 0.29 -0.84 0.00 -1.26 -0.99 121.76 118.81 1dqa s ALA 783 Ca 0.01 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1dqa s ALA 783 Cb 0.01 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1dqa s ALA 783 CO -0.09 -0.28 0.33 0.45 0.00 0.00 0.00 175.76 176.17 1dqa s SER 784 N -1.05 0.83 0.00 0.00 0.15 0.44 -4.81 113.70 109.26 1dqa s SER 784 Ca 0.50 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1dqa s SER 784 Cb -0.30 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1dqa s SER 784 CO 0.38 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1dqa n GLY 785 N -0.49 -0.62 0.29 9.45 0.00 -1.26 -1.40 105.19 111.17 1dqa n GLY 785 Ca 0.03 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.41 1dqa n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dqa h PRO 786 N 0.00 0.25 -0.11 1.61 0.11 -2.01 -2.24 132.00 129.61 1dqa h PRO 786 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1dqa h PRO 786 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1dqa h PRO 786 CO 0.00 0.16 -0.10 0.25 -0.21 0.00 0.00 178.00 178.10 1dqa n THR 787 N -5.18 2.13 -4.05 -1.15 -2.24 -1.26 -4.98 114.28 97.55 1dqa n THR 787 Ca 0.18 -2.43 -0.33 0.00 -2.27 0.00 0.00 64.05 59.21 1dqa n THR 787 Cb 0.58 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1dqa n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dqa n ASN 788 N -1.13 -3.93 -0.16 3.42 3.02 -0.85 -4.86 115.26 110.78 1dqa n ASN 788 Ca 0.20 -0.89 0.03 0.00 -0.03 0.00 0.00 54.58 53.89 1dqa n ASN 788 Cb 0.76 -3.35 -0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1dqa n ASN 788 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dqa n GLU 789 N -4.54 2.35 -3.35 3.52 1.02 -0.95 -4.43 120.64 114.27 1dqa n GLU 789 Ca 0.04 -0.49 -0.26 0.00 -0.02 0.00 0.00 57.16 56.43 1dqa n GLU 789 Cb 0.52 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 1dqa n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dqa s ASP 790 N -1.12 6.35 -0.30 1.62 1.01 -0.49 -3.91 116.67 119.83 1dqa s ASP 790 Ca 0.06 0.56 -0.09 0.00 0.71 0.00 0.00 52.55 53.78 1dqa s ASP 790 Cb 0.06 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1dqa s ASP 790 CO 0.18 -0.26 0.13 -0.22 0.21 0.00 0.00 175.17 175.22 1dqa s LEU 791 N -4.02 3.99 -0.10 1.23 2.96 0.01 -0.42 118.68 122.34 1dqa s LEU 791 Ca 0.41 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 1dqa s LEU 791 Cb -0.10 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1dqa s LEU 791 CO 0.34 -0.17 0.35 -0.47 -1.32 0.00 0.00 176.35 175.08 1dqa s TYR 792 N 1.60 3.56 0.01 5.38 5.04 -0.16 0.09 117.35 132.86 1dqa s TYR 792 Ca 0.04 0.77 0.02 0.00 -2.44 0.00 0.00 57.07 55.47 1dqa s TYR 792 Cb -0.17 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.79 1dqa s TYR 792 CO 0.05 0.38 -0.08 -1.50 -1.34 0.00 0.00 175.55 173.07 1dqa s ILE 793 N -0.08 0.61 0.01 3.14 2.07 -0.35 -1.66 121.20 124.94 1dqa s ILE 793 Ca 0.21 -0.51 -0.00 0.00 -1.41 0.00 0.00 60.65 58.93 1dqa s ILE 793 Cb -0.14 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 1dqa s ILE 793 CO 0.08 0.05 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.20 1dqa s SER 794 N -0.51 0.16 -0.06 4.50 1.04 -0.37 -1.66 113.70 116.79 1dqa s SER 794 Ca 0.00 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1dqa s SER 794 Cb -0.04 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1dqa s SER 794 CO 0.00 -0.22 -0.10 0.00 0.98 0.00 0.00 173.24 173.90 1dqa s THR 796 N 0.81 2.04 -0.32 0.00 2.01 -0.63 -1.31 115.64 118.24 1dqa s THR 796 Ca -0.12 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1dqa s THR 796 Cb -0.15 -1.82 0.10 0.00 0.01 0.00 0.00 72.50 70.64 1dqa s THR 796 CO 0.02 0.54 0.06 -0.04 -0.69 0.00 0.00 174.62 174.52 1dqa s MET 797 N 0.94 1.16 0.06 4.92 -1.94 0.07 -1.77 119.30 122.74 1dqa s MET 797 Ca -0.04 -1.48 0.26 0.00 -1.71 0.00 0.00 55.69 52.72 1dqa s MET 797 Cb -0.15 -2.65 1.02 0.00 2.01 0.00 0.00 34.83 35.07 1dqa s MET 797 CO -0.05 -0.94 1.80 -0.35 -0.01 0.00 0.00 175.02 175.48 1dqa n PRO 798 N 4.53 0.07 -2.98 2.03 -0.04 -1.26 -0.40 135.00 136.95 1dqa n PRO 798 Ca 0.00 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 1dqa n PRO 798 Cb 0.42 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1dqa n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dqa n SER 799 N -1.72 1.15 -4.61 3.54 3.41 -1.24 -2.57 113.62 111.58 1dqa n SER 799 Ca 0.06 -2.92 -0.43 0.00 -0.26 0.00 0.00 58.87 55.32 1dqa n SER 799 Cb 0.32 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1dqa n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dqa s ILE 800 N -2.75 4.48 -0.44 -1.33 1.01 -0.01 -3.40 121.20 118.77 1dqa s ILE 800 Ca 0.35 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 62.18 1dqa s ILE 800 Cb 0.39 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 38.48 1dqa s ILE 800 CO -0.04 -0.63 0.43 -1.61 0.00 0.00 0.00 174.94 173.10 1dqa s GLU 801 N 3.74 3.06 0.14 2.79 2.02 -1.26 -0.48 118.70 128.71 1dqa s GLU 801 Ca 0.42 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 1dqa s GLU 801 Cb -0.11 -4.01 0.02 0.00 0.10 0.00 0.00 34.13 30.13 1dqa s GLU 801 CO 0.21 -0.91 0.37 -1.50 0.02 0.00 0.00 175.26 173.45 1dqa s ILE 802 N 2.06 0.07 0.14 -1.63 2.07 -1.26 -4.85 121.20 117.79 1dqa s ILE 802 Ca 0.10 -0.84 -0.25 0.00 -1.41 0.00 0.00 60.65 58.25 1dqa s ILE 802 Cb -0.19 -1.38 0.07 0.00 0.13 0.00 0.00 42.46 41.09 1dqa s ILE 802 CO 0.12 -0.33 0.80 -0.83 -1.91 0.00 0.00 174.94 172.79 1dqa s GLY 803 N -2.85 -0.37 0.00 1.50 0.00 -1.26 -3.34 107.32 100.99 1dqa s GLY 803 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1dqa s GLY 803 CO -0.08 0.12 0.77 -1.30 0.00 0.00 0.00 173.10 172.60 1dqa n THR 804 N -0.38 0.58 -4.04 0.90 -2.24 0.10 -4.82 114.28 104.38 1dqa n THR 804 Ca -0.09 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1dqa n THR 804 Cb 0.62 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 1dqa n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dqa s VAL 805 N -0.58 0.33 0.00 2.28 1.01 -1.21 -1.34 120.40 120.89 1dqa s VAL 805 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1dqa s VAL 805 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1dqa s VAL 805 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1dqa n GLY 806 N 2.12 -1.08 7.00 4.51 0.00 -1.26 -4.28 105.19 112.20 1dqa n GLY 806 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1dqa n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 807 N -1.05 2.62 0.19 -0.02 0.00 -1.26 -1.71 105.19 103.96 1dqa n GLY 807 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1dqa n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dqa h GLY 808 N 0.00 0.00 1.18 -0.02 0.00 -1.86 -2.23 103.07 100.14 1dqa h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dqa h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1dqa n THR 809 N -2.44 0.10 0.88 4.70 -2.24 -0.69 -2.04 114.28 112.54 1dqa n THR 809 Ca -0.01 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1dqa n THR 809 Cb 0.11 -0.67 0.43 0.00 -2.10 0.00 0.00 70.33 68.10 1dqa n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dqa n ASN 810 N -1.09 0.36 -4.86 3.42 3.02 -0.84 -4.59 115.26 110.68 1dqa n ASN 810 Ca 0.15 0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.64 1dqa n ASN 810 Cb 0.11 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1dqa n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1dqa s LEU 811 N -3.44 4.29 0.08 3.41 1.43 -0.87 -5.00 118.68 118.58 1dqa s LEU 811 Ca 0.12 0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 53.93 1dqa s LEU 811 Cb 0.17 -3.34 -0.16 0.00 0.03 0.00 0.00 46.19 42.89 1dqa s LEU 811 CO 0.61 0.06 1.68 -0.07 0.23 0.00 0.00 176.35 178.86 1dqa h LEU 812 N 3.25 0.00 -0.91 1.79 3.38 -1.89 -1.03 115.31 119.91 1dqa h LEU 812 Ca -0.48 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1dqa h LEU 812 Cb 1.18 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1dqa h LEU 812 CO 0.67 0.07 0.42 -0.65 0.09 0.00 0.00 178.44 179.04 1dqa h PRO 813 N -0.06 1.20 0.00 1.13 0.11 -1.96 -0.33 132.00 132.09 1dqa h PRO 813 Ca 0.00 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 65.87 1dqa h PRO 813 Cb 0.07 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1dqa h PRO 813 CO -0.00 0.91 -0.37 -0.56 -0.21 0.00 0.00 178.00 177.77 1dqa h GLN 814 N 1.19 0.00 -0.08 1.05 -0.00 -1.76 -2.11 115.11 113.41 1dqa h GLN 814 Ca 0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.83 1dqa h GLN 814 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.56 1dqa h GLN 814 CO -0.04 0.37 -0.45 1.96 -0.00 0.00 0.00 178.83 180.68 1dqa h GLN 815 N 0.00 0.18 -0.54 0.06 4.20 -0.45 -2.04 115.11 116.53 1dqa h GLN 815 Ca -0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1dqa h GLN 815 Cb 0.80 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1dqa h GLN 815 CO 0.05 0.59 0.30 0.00 -0.67 0.00 0.00 178.83 179.10 1dqa h ALA 816 N 1.40 0.69 -0.38 3.87 0.00 -0.42 0.11 119.26 124.53 1dqa h ALA 816 Ca 0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1dqa h ALA 816 Cb 0.85 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1dqa h ALA 816 CO 0.07 0.20 -0.20 0.00 0.00 0.00 0.00 179.25 179.31 1dqa h LEU 818 N 0.64 0.51 -0.94 0.00 3.38 -0.92 -2.67 115.31 115.32 1dqa h LEU 818 Ca 0.09 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1dqa h LEU 818 Cb 0.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1dqa h LEU 818 CO 0.05 0.69 -0.51 1.56 0.09 0.00 0.00 178.44 180.32 1dqa h GLN 819 N 0.48 0.00 -0.21 1.13 4.20 -0.41 -1.58 115.11 118.72 1dqa h GLN 819 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1dqa h GLN 819 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1dqa h GLN 819 CO 0.04 0.51 0.09 0.52 -0.67 0.00 0.00 178.83 179.32 1dqa h MET 820 N 0.00 0.29 -0.01 1.46 2.86 -0.89 -1.24 114.93 117.40 1dqa h MET 820 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1dqa h MET 820 Cb 0.94 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1dqa h MET 820 CO 0.07 0.24 -0.45 1.28 1.06 0.00 0.00 176.91 179.11 1dqa n LEU 821 N -4.45 1.07 -1.16 1.22 4.77 -0.94 -4.64 117.00 112.87 1dqa n LEU 821 Ca 0.00 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.57 1dqa n LEU 821 Cb 0.12 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dqa n LEU 821 CO 0.35 0.22 -0.11 0.61 -1.33 0.00 0.00 177.39 177.13 1dqa n GLY 822 N 1.41 -0.01 0.13 -0.72 0.00 -0.47 -4.93 105.19 100.60 1dqa n GLY 822 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1dqa n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dqa n VAL 823 N -3.99 0.69 -2.11 1.61 0.24 -0.75 -5.01 118.33 109.00 1dqa n VAL 823 Ca -0.11 -0.77 -0.41 0.00 -2.04 0.00 0.00 64.34 61.01 1dqa n VAL 823 Cb 0.58 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.40 1dqa n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1dqa s GLN 824 N -0.91 4.34 2.11 7.34 -0.44 -1.21 -4.74 119.66 126.15 1dqa s GLN 824 Ca 0.07 2.19 0.00 0.00 -2.50 0.00 0.00 55.36 55.12 1dqa s GLN 824 Cb 0.06 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 1dqa s GLN 824 CO 0.01 -0.29 0.00 0.41 0.50 0.00 0.00 175.29 175.92 1dqa n GLY 825 N 1.83 -0.86 3.77 2.59 0.00 -0.45 -4.88 105.19 107.19 1dqa n GLY 825 Ca 0.04 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1dqa n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa s ALA 826 N -1.39 3.27 -0.75 4.61 0.00 -1.26 -4.59 121.76 121.65 1dqa s ALA 826 Ca 0.00 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1dqa s ALA 826 Cb 0.00 -3.25 0.14 0.00 0.00 0.00 0.00 23.12 20.01 1dqa s ALA 826 CO 0.00 -0.01 0.83 0.00 0.00 0.00 0.00 175.76 176.58 1dqa h LYS 828 N 8.69 0.45 0.00 0.00 2.10 -1.99 -2.14 116.57 123.68 1dqa h LYS 828 Ca -0.06 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1dqa h LYS 828 Cb 1.06 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1dqa h LYS 828 CO 1.00 0.30 0.00 -0.44 -2.00 0.00 0.00 179.45 178.31 1dqa h ASP 829 N 0.47 0.00 -0.91 7.07 3.32 -2.05 -3.40 116.42 120.92 1dqa h ASP 829 Ca 0.43 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.33 1dqa h ASP 829 Cb 0.67 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.06 1dqa h ASP 829 CO -0.41 0.00 -0.48 -3.20 -1.72 0.00 0.00 179.24 173.43 1dqa n ASN 830 N -2.30 -3.39 -4.62 6.45 5.15 -0.96 -5.13 115.26 110.45 1dqa n ASN 830 Ca 0.05 -2.92 -0.52 0.00 -0.60 0.00 0.00 54.58 50.59 1dqa n ASN 830 Cb 0.41 1.75 -0.06 0.00 -0.53 0.00 0.00 39.78 41.35 1dqa n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1dqa n PRO 831 N 2.83 1.29 0.00 1.20 -0.02 -0.85 -1.80 135.00 137.66 1dqa n PRO 831 Ca 0.17 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1dqa n PRO 831 Cb 0.57 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1dqa n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dqa n GLY 832 N 2.92 2.67 0.24 -1.23 0.00 -1.24 -4.70 105.19 103.85 1dqa n GLY 832 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1dqa n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dqa h GLU 833 N 1.24 0.42 -0.27 1.61 4.57 -1.67 -0.78 114.58 119.70 1dqa h GLU 833 Ca 0.00 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 1dqa h GLU 833 Cb 0.00 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1dqa h GLU 833 CO 0.00 0.60 -0.26 -0.91 -1.18 0.00 0.00 179.01 177.27 1dqa h ASN 834 N 0.38 0.69 -0.66 1.04 2.35 -1.88 -1.63 115.58 115.88 1dqa h ASN 834 Ca 0.06 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.26 1dqa h ASN 834 Cb 0.56 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1dqa h ASN 834 CO 0.04 1.02 0.08 0.00 -1.65 0.00 0.00 177.43 176.91 1dqa h ALA 835 N 0.70 0.88 -0.69 -0.83 0.00 -1.77 -1.63 119.26 115.92 1dqa h ALA 835 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1dqa h ALA 835 Cb 0.82 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1dqa h ALA 835 CO 0.06 0.68 0.35 0.00 0.00 0.00 0.00 179.25 180.34 1dqa h ARG 836 N 1.03 0.98 -0.67 0.00 3.08 -1.09 -1.20 114.38 116.52 1dqa h ARG 836 Ca 0.20 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1dqa h ARG 836 Cb 0.48 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1dqa h ARG 836 CO 0.02 0.75 0.16 0.37 -1.07 0.00 0.00 179.97 180.20 1dqa h GLN 837 N 0.95 1.08 -0.80 0.04 5.75 -1.05 -2.07 115.11 119.01 1dqa h GLN 837 Ca 0.24 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1dqa h GLN 837 Cb 0.08 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 1dqa h GLN 837 CO -0.03 0.96 0.32 1.25 -2.65 0.00 0.00 178.83 178.68 1dqa h LEU 838 N 1.00 1.10 -0.86 -2.39 5.85 -0.99 -1.97 115.31 117.07 1dqa h LEU 838 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1dqa h LEU 838 Cb 0.37 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1dqa h LEU 838 CO 0.00 0.97 0.49 0.00 -0.34 0.00 0.00 178.44 179.56 1dqa h ALA 839 N 1.17 1.10 -0.63 1.25 0.00 -0.87 -0.67 119.26 120.61 1dqa h ALA 839 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1dqa h ALA 839 Cb 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1dqa h ALA 839 CO -0.02 0.59 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1dqa h ARG 840 N 1.19 0.95 -0.68 0.00 3.08 -1.07 -1.67 114.38 116.18 1dqa h ARG 840 Ca 0.30 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1dqa h ARG 840 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1dqa h ARG 840 CO -0.05 0.82 0.38 0.82 -1.07 0.00 0.00 179.97 180.86 1dqa h ILE 841 N 0.89 1.21 -0.02 2.04 2.04 -0.81 -0.82 117.51 122.04 1dqa h ILE 841 Ca 0.21 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1dqa h ILE 841 Cb 0.23 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1dqa h ILE 841 CO -0.01 0.23 -0.03 0.58 0.00 0.00 0.00 178.15 178.92 1dqa h VAL 842 N 0.93 0.92 -0.53 1.67 2.07 -0.79 0.14 116.25 120.67 1dqa h VAL 842 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.77 1dqa h VAL 842 Cb 0.03 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1dqa h VAL 842 CO -0.04 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.90 1dqa h GLY 844 N 0.71 0.99 1.31 0.00 0.00 -0.96 -1.51 103.07 103.61 1dqa h GLY 844 Ca 0.19 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 1dqa h GLY 844 CO -0.05 0.58 -0.45 -0.84 0.00 0.00 0.00 176.54 175.78 1dqa h THR 845 N 0.87 1.29 -0.47 4.70 2.02 -0.16 -1.99 112.91 119.17 1dqa h THR 845 Ca 0.18 -1.65 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1dqa h THR 845 Cb 0.38 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1dqa h THR 845 CO 0.01 0.53 0.26 0.58 0.37 0.00 0.00 175.52 177.26 1dqa h VAL 846 N 0.59 1.00 -0.86 3.16 2.07 -0.72 -0.27 116.25 121.22 1dqa h VAL 846 Ca 0.04 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1dqa h VAL 846 Cb 1.02 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1dqa h VAL 846 CO 0.10 0.09 0.55 -0.03 0.02 0.00 0.00 177.57 178.30 1dqa h MET 847 N 0.51 1.03 -0.19 1.57 -1.53 -1.01 0.41 114.93 115.72 1dqa h MET 847 Ca 0.20 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.39 1dqa h MET 847 Cb 0.07 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 30.87 1dqa h MET 847 CO -0.11 0.68 0.10 0.00 0.14 0.00 0.00 176.91 177.72 1dqa h ALA 848 N 1.36 0.24 -0.88 0.39 0.00 -0.79 -1.31 119.26 118.27 1dqa h ALA 848 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1dqa h ALA 848 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1dqa h ALA 848 CO -0.12 -0.22 0.58 0.78 0.00 0.00 0.00 179.25 180.27 1dqa h GLY 849 N 0.19 1.25 0.98 0.00 0.00 -0.24 -2.61 103.07 102.64 1dqa h GLY 849 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1dqa h GLY 849 CO -0.01 0.47 0.41 0.83 0.00 0.00 0.00 176.54 178.24 1dqa h GLU 850 N 1.20 0.81 0.01 4.80 4.39 0.14 -1.92 114.58 124.00 1dqa h GLU 850 Ca 0.32 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1dqa h GLU 850 Cb -0.12 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.34 1dqa h GLU 850 CO -0.07 0.53 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.22 1dqa h LEU 851 N 0.83 -0.06 -0.08 1.33 3.38 -1.02 -1.67 115.31 118.02 1dqa h LEU 851 Ca 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1dqa h LEU 851 Cb -0.07 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dqa h LEU 851 CO -0.06 -0.03 0.01 -1.28 0.09 0.00 0.00 178.44 177.16 1dqa h SER 852 N -0.04 0.13 -0.43 -0.43 0.87 -1.31 -2.02 113.55 110.32 1dqa h SER 852 Ca 0.01 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1dqa h SER 852 Cb 0.05 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1dqa h SER 852 CO -0.02 0.38 0.23 0.25 -0.53 0.00 0.00 176.83 177.14 1dqa h LEU 853 N -0.12 0.54 -1.39 2.23 5.85 -1.39 -1.22 115.31 119.82 1dqa h LEU 853 Ca 0.02 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1dqa h LEU 853 Cb 0.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1dqa h LEU 853 CO 0.00 0.49 0.43 0.24 -0.34 0.00 0.00 178.44 179.26 1dqa h MET 854 N 0.56 0.80 -0.37 1.25 2.86 -1.31 0.61 114.93 119.33 1dqa h MET 854 Ca 0.15 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1dqa h MET 854 Cb 0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1dqa h MET 854 CO -0.02 0.53 -0.23 0.00 1.06 0.00 0.00 176.91 178.24 1dqa h ALA 855 N 1.61 0.52 -0.70 6.32 0.00 -0.88 -1.51 119.26 124.62 1dqa h ALA 855 Ca 0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1dqa h ALA 855 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1dqa h ALA 855 CO -0.06 0.50 0.36 0.00 0.00 0.00 0.00 179.25 180.05 1dqa h ALA 856 N 0.78 0.89 -0.72 0.00 0.00 -0.59 -1.44 119.26 118.18 1dqa h ALA 856 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1dqa h ALA 856 Cb 0.80 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1dqa h ALA 856 CO 0.06 0.43 0.19 -0.07 0.00 0.00 0.00 179.25 179.87 1dqa h LEU 857 N 0.96 1.08 -0.67 0.00 3.38 -0.76 0.16 115.31 119.45 1dqa h LEU 857 Ca 0.24 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1dqa h LEU 857 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1dqa h LEU 857 CO -0.04 1.02 -0.20 0.00 0.09 0.00 0.00 178.44 179.32 1dqa h ALA 858 N 1.11 0.86 -0.00 1.53 0.00 -0.96 -3.07 119.26 118.73 1dqa h ALA 858 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dqa h ALA 858 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dqa h ALA 858 CO -0.00 0.64 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 1dqa n ALA 859 N -2.50 3.13 -2.23 0.00 0.00 -0.57 -4.96 120.51 113.38 1dqa n ALA 859 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 1dqa n ALA 859 Cb 0.43 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1dqa n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dqa n GLY 860 N 1.39 0.47 0.34 0.00 0.00 -0.40 -4.99 105.19 101.99 1dqa n GLY 860 Ca 0.10 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.49 1dqa n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dqa n HIS 861 N -3.57 0.00 0.22 1.61 8.25 0.41 -4.74 115.22 117.39 1dqa n HIS 861 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 1dqa n HIS 861 Cb 0.51 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 1dqa n HIS 861 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1dqa h LEU 862 N 1.67 -1.35 -0.58 2.41 5.85 -1.93 -1.44 115.31 119.95 1dqa h LEU 862 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1dqa h LEU 862 Cb 0.66 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1dqa h LEU 862 CO 0.00 -0.59 0.37 0.58 -0.34 0.00 0.00 178.44 178.46 1dqa h VAL 863 N -0.86 1.16 -0.05 1.05 2.07 -1.95 -2.35 116.25 115.32 1dqa h VAL 863 Ca -0.04 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1dqa h VAL 863 Cb 0.78 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1dqa h VAL 863 CO -0.13 0.16 -0.18 0.11 0.02 0.00 0.00 177.57 177.55 1dqa h LYS 864 N 0.78 -0.26 -0.94 1.57 1.57 -1.84 -0.94 116.57 116.51 1dqa h LYS 864 Ca 0.21 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1dqa h LYS 864 Cb -0.06 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1dqa h LYS 864 CO -0.04 -0.17 0.62 0.66 -0.57 0.00 0.00 179.45 179.94 1dqa h SER 865 N -0.27 1.04 0.62 0.86 4.64 -1.11 -2.27 113.55 117.05 1dqa h SER 865 Ca 0.07 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1dqa h SER 865 Cb 0.37 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1dqa h SER 865 CO -0.21 0.73 -0.55 0.45 -0.87 0.00 0.00 176.83 176.38 1dqa h HIS 866 N 1.22 0.00 -0.17 4.77 3.86 -0.91 -0.39 115.15 123.53 1dqa h HIS 866 Ca 0.36 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.48 1dqa h HIS 866 Cb -0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1dqa h HIS 866 CO -0.00 0.55 -0.30 0.52 0.86 0.00 0.00 177.93 179.57 1dqa h MET 867 N 0.00 0.34 0.03 2.45 2.07 -0.64 0.30 114.93 119.48 1dqa h MET 867 Ca -0.01 -0.13 -0.00 0.00 -2.07 0.00 0.00 59.70 57.49 1dqa h MET 867 Cb 1.01 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.72 1dqa h MET 867 CO 0.07 0.61 -0.01 0.82 1.07 0.00 0.00 176.91 179.46 1dqa h ILE 868 N 0.30 1.41 -0.01 -1.22 2.04 -1.12 -3.40 117.51 115.51 1dqa h ILE 868 Ca 0.04 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1dqa h ILE 868 Cb 0.68 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1dqa h ILE 868 CO 0.05 0.42 -0.36 1.41 0.00 0.00 0.00 178.15 179.67 1dqa n HIS 869 N -4.74 0.00 -2.48 1.37 8.25 -0.18 -4.75 115.22 112.68 1dqa n HIS 869 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1dqa n HIS 869 Cb 0.35 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.49 1dqa n HIS 869 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1dqa n ASN 870 N -0.34 3.15 0.00 0.41 5.15 0.11 -4.21 115.26 119.52 1dqa n ASN 870 Ca 0.05 -2.96 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 1dqa n ASN 870 Cb 0.29 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1dqa n ASN 870 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52