#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqa s SER 463 N 0.00 6.03 0.25 -1.43 1.04 -1.26 -4.87 113.70 113.46 1dqa s SER 463 Ca 0.00 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.56 1dqa s SER 463 Cb 0.00 -2.24 0.36 0.00 0.10 0.00 0.00 66.02 64.24 1dqa s SER 463 CO 0.00 -0.90 1.86 0.44 0.98 0.00 0.00 173.24 175.62 1dqa h ASP 464 N -0.22 0.88 -0.75 7.02 5.19 -2.01 -0.01 116.42 126.53 1dqa h ASP 464 Ca -0.45 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 1dqa h ASP 464 Cb 1.21 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 1dqa h ASP 464 CO 0.62 0.56 0.37 0.00 -3.12 0.00 0.00 179.24 177.67 1dqa h ALA 465 N 1.42 0.96 -0.33 3.45 0.00 -1.99 0.13 119.26 122.91 1dqa h ALA 465 Ca 0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dqa h ALA 465 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dqa h ALA 465 CO -0.18 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.51 1dqa h GLU 466 N 1.05 0.58 -0.93 0.00 5.08 -1.71 -2.10 114.58 116.55 1dqa h GLU 466 Ca 0.26 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1dqa h GLU 466 Cb 0.10 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1dqa h GLU 466 CO -0.03 0.71 0.61 0.82 -1.00 0.00 0.00 179.01 180.12 1dqa h ILE 467 N 0.38 1.24 -0.35 3.13 2.04 -0.65 0.54 117.51 123.84 1dqa h ILE 467 Ca 0.09 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1dqa h ILE 467 Cb 0.45 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1dqa h ILE 467 CO 0.02 0.23 0.07 0.40 0.00 0.00 0.00 178.15 178.87 1dqa h ILE 468 N 1.26 1.17 -0.02 -0.67 2.04 -0.55 -0.03 117.51 120.71 1dqa h ILE 468 Ca 0.34 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1dqa h ILE 468 Cb -0.14 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1dqa h ILE 468 CO -0.07 0.22 -0.21 -0.61 0.00 0.00 0.00 178.15 177.47 1dqa h GLN 469 N 0.51 0.18 -0.47 2.37 5.75 -0.54 -1.24 115.11 121.67 1dqa h GLN 469 Ca 0.12 -0.17 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1dqa h GLN 469 Cb 0.22 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.75 1dqa h GLN 469 CO -0.00 0.86 0.12 1.25 -2.65 0.00 0.00 178.83 178.41 1dqa h LEU 470 N -0.44 0.05 -0.20 -2.39 5.85 -0.68 -1.82 115.31 115.68 1dqa h LEU 470 Ca -0.02 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1dqa h LEU 470 Cb 0.92 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1dqa h LEU 470 CO 0.04 0.06 0.09 0.58 -0.34 0.00 0.00 178.44 178.87 1dqa h VAL 471 N 0.26 1.15 0.00 1.05 2.07 -1.06 -3.01 116.25 116.72 1dqa h VAL 471 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1dqa h VAL 471 Cb 0.28 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1dqa h VAL 471 CO -0.28 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.05 1dqa n ASN 472 N -4.84 0.00 -0.36 0.57 5.03 -0.47 -2.58 115.26 112.61 1dqa n ASN 472 Ca -0.04 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1dqa n ASN 472 Cb 0.11 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 1dqa n ASN 472 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dqa n ALA 473 N -1.28 1.96 -0.94 5.41 0.00 -0.99 -4.66 120.51 120.01 1dqa n ALA 473 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1dqa n ALA 473 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1dqa n ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dqa n LYS 474 N 0.00 -1.03 0.08 0.00 4.76 -1.07 -4.88 118.16 116.03 1dqa n LYS 474 Ca 0.00 0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.63 1dqa n LYS 474 Cb 0.11 -4.18 -0.06 0.00 -1.84 0.00 0.00 35.03 29.06 1dqa n LYS 474 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dqa h HIS 475 N 0.00 0.05 -3.47 2.13 3.86 -1.75 -3.46 115.15 112.52 1dqa h HIS 475 Ca 0.00 -0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.85 1dqa h HIS 475 Cb 0.51 -0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.63 1dqa h HIS 475 CO 0.32 0.95 -0.74 0.42 0.86 0.00 0.00 177.93 179.74 1dqa s ILE 476 N -2.91 0.00 0.32 2.45 1.01 -1.12 -5.07 121.20 115.89 1dqa s ILE 476 Ca -0.00 0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.60 1dqa s ILE 476 Cb 0.10 -0.16 -0.09 0.00 0.01 0.00 0.00 42.46 42.32 1dqa s ILE 476 CO 0.81 0.13 1.09 -2.16 0.00 0.00 0.00 174.94 174.81 1dqa s PRO 477 N 1.30 4.45 0.35 2.79 0.04 -1.26 -4.77 135.00 137.90 1dqa s PRO 477 Ca -0.06 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.84 1dqa s PRO 477 Cb -0.13 -2.96 0.96 0.00 0.04 0.00 0.00 34.50 32.41 1dqa s PRO 477 CO -0.03 0.06 1.75 0.00 0.04 0.00 0.00 177.00 178.83 1dqa h ALA 478 N 3.33 1.97 0.00 8.56 0.00 -2.00 -1.47 119.26 129.64 1dqa h ALA 478 Ca -0.47 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1dqa h ALA 478 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dqa h ALA 478 CO 0.65 -0.39 0.00 0.10 0.00 0.00 0.00 179.25 179.61 1dqa h TYR 479 N 0.53 0.00 -0.43 0.00 -0.00 -1.97 -2.07 116.97 113.03 1dqa h TYR 479 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.34 1dqa h TYR 479 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1dqa h TYR 479 CO -0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1dqa n LYS 480 N -2.39 2.24 -0.25 0.10 5.02 -0.55 -4.58 118.16 117.75 1dqa n LYS 480 Ca -0.01 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 1dqa n LYS 480 Cb 0.09 -1.45 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 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 3.41 0.57 -1.01 -0.35 3.38 -1.52 -2.30 115.31 117.50 1dqa h LEU 481 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1dqa h LEU 481 Cb 0.77 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1dqa h LEU 481 CO 0.00 0.35 0.40 -0.33 0.09 0.00 0.00 178.44 178.95 1dqa h GLU 482 N 0.71 1.10 -3.47 1.13 3.07 -1.85 -2.87 114.58 112.39 1dqa h GLU 482 Ca 0.34 -0.14 -0.74 0.00 -0.50 0.00 0.00 59.36 58.32 1dqa h GLU 482 Cb 0.27 -0.21 -0.11 0.00 -0.84 0.00 0.00 28.75 27.86 1dqa h GLU 482 CO -0.22 0.83 2.43 0.25 -1.40 0.00 0.00 179.01 180.89 1dqa n THR 483 N -4.33 4.26 0.00 1.13 -2.24 -0.86 -2.89 114.28 109.34 1dqa n THR 483 Ca 0.08 -3.98 0.00 0.00 -2.27 0.00 0.00 64.05 57.88 1dqa n THR 483 Cb 0.12 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 1dqa n THR 483 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dqa n LEU 484 N 4.07 0.00 -4.72 3.22 7.94 -1.10 -4.98 117.00 121.43 1dqa n LEU 484 Ca 0.47 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 55.13 1dqa n LEU 484 Cb 0.35 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.23 1dqa n LEU 484 CO 0.82 0.00 -0.19 -0.63 -1.11 0.00 0.00 177.39 176.28 1dqa s ILE 485 N -0.86 2.67 -0.61 1.96 1.01 -1.12 -5.08 121.20 119.18 1dqa s ILE 485 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 60.65 58.97 1dqa s ILE 485 Cb 0.00 -2.95 0.29 0.00 0.01 0.00 0.00 42.46 39.81 1dqa s ILE 485 CO 0.00 -0.11 0.83 1.21 0.00 0.00 0.00 174.94 176.86 1dqa n GLU 486 N -1.16 2.77 -3.15 2.79 4.07 -1.26 -4.82 120.64 119.88 1dqa n GLU 486 Ca -0.02 -4.71 0.06 0.00 -0.06 0.00 0.00 57.16 52.42 1dqa n GLU 486 Cb 0.63 -2.23 -0.02 0.00 -0.06 0.00 0.00 31.44 29.76 1dqa n GLU 486 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1dqa s THR 487 N -3.26 -0.04 0.19 6.31 -1.32 -1.26 -5.08 115.64 111.18 1dqa s THR 487 Ca 0.44 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.79 1dqa s THR 487 Cb 0.21 -0.83 0.13 0.00 -1.51 0.00 0.00 72.50 70.50 1dqa s THR 487 CO -0.06 0.00 1.70 0.45 -2.21 0.00 0.00 174.62 174.50 1dqa h HIS 488 N 7.83 0.11 -0.50 9.09 3.86 -1.92 -2.31 115.15 131.31 1dqa h HIS 488 Ca -0.10 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1dqa h HIS 488 Cb 1.18 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 1dqa h HIS 488 CO 0.01 -0.05 0.33 1.49 0.86 0.00 0.00 177.93 180.57 1dqa h GLU 489 N 0.20 0.56 -0.12 2.45 4.81 -1.96 -0.55 114.58 119.96 1dqa h GLU 489 Ca 0.27 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1dqa h GLU 489 Cb 0.39 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1dqa h GLU 489 CO -0.38 0.37 -0.35 -0.09 -0.73 0.00 0.00 179.01 177.82 1dqa h ARG 490 N 0.57 0.25 -0.38 1.92 2.43 -1.84 0.52 114.38 117.84 1dqa h ARG 490 Ca 0.20 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1dqa h ARG 490 Cb 0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1dqa h ARG 490 CO -0.05 0.58 0.04 0.78 -1.51 0.00 0.00 179.97 179.81 1dqa h GLY 491 N 1.13 0.70 1.00 2.80 0.00 -0.95 -0.74 103.07 107.00 1dqa h GLY 491 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.88 1dqa h GLY 491 CO 0.06 0.45 0.36 -2.08 0.00 0.00 0.00 176.54 175.32 1dqa h VAL 492 N 0.49 1.13 -0.71 4.60 2.07 -0.97 0.15 116.25 123.02 1dqa h VAL 492 Ca 0.11 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1dqa h VAL 492 Cb 0.40 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1dqa h VAL 492 CO 0.01 0.13 0.38 -1.28 0.02 0.00 0.00 177.57 176.84 1dqa h SER 493 N 0.73 0.89 -0.04 0.57 0.87 -0.59 -1.15 113.55 114.83 1dqa h SER 493 Ca 0.20 -0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 1dqa h SER 493 Cb -0.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1dqa h SER 493 CO -0.05 0.73 -0.50 0.40 -0.53 0.00 0.00 176.83 176.89 1dqa h ILE 494 N 0.97 1.31 -0.71 2.23 2.04 -0.80 -2.35 117.51 120.20 1dqa h ILE 494 Ca 0.25 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 1dqa h ILE 494 Cb 0.05 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1dqa h ILE 494 CO -0.04 0.54 0.24 -0.09 0.00 0.00 0.00 178.15 178.80 1dqa h ARG 495 N 0.47 1.09 -0.74 2.37 2.43 -0.62 -1.56 114.38 117.82 1dqa h ARG 495 Ca 0.02 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1dqa h ARG 495 Cb 1.04 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1dqa h ARG 495 CO 0.10 0.92 0.43 0.00 -1.51 0.00 0.00 179.97 179.91 1dqa h ARG 496 N 1.05 1.01 -0.33 0.20 3.08 -1.05 -0.31 114.38 118.03 1dqa h ARG 496 Ca 0.23 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1dqa h ARG 496 Cb 0.27 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1dqa h ARG 496 CO -0.01 0.72 0.11 1.96 -1.07 0.00 0.00 179.97 181.68 1dqa h GLN 497 N 1.01 0.50 -0.49 0.04 4.20 -0.98 -0.70 115.11 118.69 1dqa h GLN 497 Ca 0.26 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1dqa h GLN 497 Cb -0.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1dqa h GLN 497 CO -0.05 0.53 0.31 -0.07 -0.67 0.00 0.00 178.83 178.88 1dqa h LEU 498 N 0.37 0.57 -0.80 1.46 3.38 -1.09 -2.82 115.31 116.38 1dqa h LEU 498 Ca 0.11 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1dqa h LEU 498 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1dqa h LEU 498 CO -0.01 0.43 0.24 0.25 0.09 0.00 0.00 178.44 179.45 1dqa h LEU 499 N 0.66 1.06 -0.89 1.67 5.85 -0.92 -3.10 115.31 119.64 1dqa h LEU 499 Ca 0.18 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.83 1dqa h LEU 499 Cb -0.05 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.61 1dqa h LEU 499 CO -0.04 0.98 0.51 0.28 -0.34 0.00 0.00 178.44 179.83 1dqa h SER 500 N 1.10 0.69 0.15 1.25 0.02 -0.86 -0.67 113.55 115.22 1dqa h SER 500 Ca 0.24 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1dqa h SER 500 Cb 0.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1dqa h SER 500 CO -0.01 0.34 0.00 2.29 -1.14 0.00 0.00 176.83 178.31 1dqa n LYS 501 N -4.77 0.55 -0.01 3.45 2.85 -1.17 -2.56 118.16 116.50 1dqa n LYS 501 Ca 0.17 0.03 0.08 0.00 -1.05 0.00 0.00 58.31 57.54 1dqa n LYS 501 Cb 0.38 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.34 1dqa n LYS 501 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1dqa n LYS 502 N -1.11 1.32 -3.75 -1.58 5.02 -0.27 -4.99 118.16 112.81 1dqa n LYS 502 Ca 0.14 -1.50 -0.36 0.00 -2.02 0.00 0.00 58.31 54.57 1dqa n LYS 502 Cb 0.11 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.34 4.39 0.58 -0.35 1.43 -1.06 -4.97 118.68 117.35 1dqa s LEU 503 Ca 0.20 0.60 0.35 0.00 -1.03 0.00 0.00 54.13 54.25 1dqa s LEU 503 Cb 0.14 -2.51 1.73 0.00 0.03 0.00 0.00 46.19 45.58 1dqa s LEU 503 CO 0.20 0.30 2.14 0.77 0.23 0.00 0.00 176.35 180.00 1dqa h SER 504 N 4.34 0.00 -2.99 2.29 4.64 -1.94 -3.24 113.55 116.65 1dqa h SER 504 Ca -0.51 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.20 1dqa h SER 504 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.90 1dqa h SER 504 CO 0.63 0.04 -0.79 -0.70 -0.87 0.00 0.00 176.83 175.15 1dqa s GLU 505 N -4.00 1.33 0.42 4.77 -6.30 -1.26 -5.02 118.70 108.64 1dqa s GLU 505 Ca -0.02 -2.22 0.25 0.00 -2.50 0.00 0.00 54.97 50.48 1dqa s GLU 505 Cb 0.12 -2.17 1.30 0.00 0.00 0.00 0.00 34.13 33.37 1dqa s GLU 505 CO 0.52 -1.26 1.69 -1.35 0.02 0.00 0.00 175.26 174.88 1dqa h PRO 506 N 6.19 0.20 -0.47 4.30 0.11 -1.74 -1.60 132.00 138.99 1dqa h PRO 506 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1dqa h PRO 506 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1dqa h PRO 506 CO 0.47 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 1dqa n SER 507 N -4.66 1.95 0.27 -2.05 3.41 -1.26 -4.23 113.62 107.04 1dqa n SER 507 Ca 0.32 -2.12 0.15 0.00 -0.26 0.00 0.00 58.87 56.96 1dqa n SER 507 Cb 1.20 -0.32 0.67 0.00 -0.26 0.00 0.00 64.21 65.51 1dqa n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1dqa h SER 508 N 1.61 0.00 1.25 4.04 4.64 -1.70 -2.89 113.55 120.51 1dqa h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqa h SER 508 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1dqa h SER 508 CO 0.06 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.28 1dqa n LEU 509 N -3.24 0.61 -0.33 5.97 4.77 -1.26 -4.01 117.00 119.50 1dqa n LEU 509 Ca -0.00 0.57 0.19 0.00 -0.03 0.00 0.00 56.01 56.74 1dqa n LEU 509 Cb 0.31 -0.39 0.43 0.00 -2.33 0.00 0.00 43.42 41.44 1dqa n LEU 509 CO 0.29 -0.19 1.20 -0.61 -1.33 0.00 0.00 177.39 176.74 1dqa h GLN 510 N 0.00 0.51 -0.09 3.23 4.15 -1.83 -0.06 115.11 121.02 1dqa h GLN 510 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1dqa h GLN 510 Cb 0.63 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1dqa h GLN 510 CO 0.00 0.34 0.00 0.66 -1.93 0.00 0.00 178.83 177.90 1dqa n TYR 511 N -4.71 0.10 -3.08 3.99 0.53 -1.26 -4.75 117.16 107.98 1dqa n TYR 511 Ca 0.25 -0.05 -0.43 0.00 -1.02 0.00 0.00 57.90 56.65 1dqa n TYR 511 Cb 0.76 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 39.00 1dqa n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1dqa s LEU 512 N -1.83 4.45 0.77 7.72 2.96 -0.04 -5.04 118.68 127.67 1dqa s LEU 512 Ca 0.35 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 1dqa s LEU 512 Cb 0.20 -2.77 0.06 0.00 0.50 0.00 0.00 46.19 44.17 1dqa s LEU 512 CO 0.31 -0.80 1.16 -2.16 -1.32 0.00 0.00 176.35 173.53 1dqa s PRO 513 N 2.91 2.02 0.00 0.98 0.05 -1.26 -4.88 135.00 134.82 1dqa s PRO 513 Ca 0.24 1.56 0.00 0.00 0.05 0.00 0.00 61.00 62.85 1dqa s PRO 513 Cb -0.14 -1.84 0.00 0.00 0.05 0.00 0.00 34.50 32.57 1dqa s PRO 513 CO 0.20 -1.88 0.00 2.48 0.05 0.00 0.00 177.00 177.84 1dqa n TYR 514 N -3.13 0.00 -2.00 0.56 0.18 -1.26 -1.88 117.16 109.63 1dqa n TYR 514 Ca 0.12 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.57 1dqa n TYR 514 Cb 0.51 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 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 -0.36 3.29 -1.30 -3.48 0.52 -1.26 -4.26 118.95 112.09 1dqa s ARG 515 Ca 0.00 1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 56.34 1dqa s ARG 515 Cb 0.00 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 1dqa s ARG 515 CO 0.00 -0.83 0.62 -0.25 0.02 0.00 0.00 175.30 174.86 1dqa n ASP 516 N -2.14 -1.69 -4.14 0.23 8.00 -1.26 -5.01 116.55 110.53 1dqa n ASP 516 Ca 0.09 -0.91 -0.20 0.00 0.71 0.00 0.00 54.79 54.48 1dqa n ASP 516 Cb 0.53 -3.64 -0.13 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.73 1.21 -1.15 1.24 5.04 -1.26 -5.08 117.35 113.63 1dqa s TYR 517 Ca 0.09 -0.36 -0.20 0.00 -2.44 0.00 0.00 57.07 54.16 1dqa s TYR 517 Cb -0.03 -0.72 0.07 0.00 0.35 0.00 0.00 41.96 41.64 1dqa s TYR 517 CO 0.84 0.03 1.55 1.21 -1.34 0.00 0.00 175.55 177.85 1dqa s ASN 518 N -1.18 6.69 0.32 4.32 3.84 -1.26 -4.79 114.94 122.89 1dqa s ASN 518 Ca 0.01 -2.03 0.26 0.00 0.21 0.00 0.00 52.86 51.32 1dqa s ASN 518 Cb -0.08 -2.55 0.96 0.00 -0.55 0.00 0.00 41.25 39.02 1dqa s ASN 518 CO 0.01 -1.28 1.77 1.88 -2.79 0.00 0.00 177.10 176.69 1dqa h TYR 519 N 8.59 0.00 -0.08 0.43 -1.99 -1.97 -3.07 116.97 118.88 1dqa h TYR 519 Ca 0.31 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.99 1dqa h TYR 519 Cb 0.94 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 1dqa h TYR 519 CO 1.33 0.00 -0.21 0.66 -0.00 0.00 0.00 178.16 179.93 1dqa h SER 520 N 0.00 0.12 1.42 3.88 4.64 -1.93 -0.91 113.55 120.77 1dqa h SER 520 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1dqa h SER 520 Cb 0.55 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1dqa h SER 520 CO 0.00 0.34 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.79 1dqa h LEU 521 N 0.12 0.00 0.01 5.97 3.38 -1.93 -3.34 115.31 119.50 1dqa h LEU 521 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dqa h LEU 521 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1dqa h LEU 521 CO 0.03 0.44 -0.00 0.58 0.09 0.00 0.00 178.44 179.57 1dqa h VAL 522 N 0.00 1.44 -2.50 1.22 2.07 -1.46 -3.42 116.25 113.60 1dqa h VAL 522 Ca -0.00 -2.01 -0.54 0.00 0.82 0.00 0.00 66.70 64.96 1dqa h VAL 522 Cb 1.27 2.69 0.06 0.00 -1.52 0.00 0.00 31.29 33.78 1dqa h VAL 522 CO 0.06 0.48 0.97 0.80 0.02 0.00 0.00 177.57 179.89 1dqa n MET 523 N -4.66 2.58 -0.97 1.57 0.00 -0.42 -0.69 117.12 114.53 1dqa n MET 523 Ca -0.08 0.93 0.00 0.00 -0.00 0.00 0.00 57.70 58.55 1dqa n MET 523 Cb 0.38 -2.76 0.00 0.00 0.00 0.00 0.00 33.22 30.84 1dqa n MET 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1dqa n GLY 524 N 3.85 0.60 0.39 -5.12 0.00 -1.26 -4.80 105.19 98.85 1dqa n GLY 524 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.90 1.81 0.00 4.61 0.00 -0.43 -5.03 120.51 122.37 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 -0.86 1.73 -1.42 0.00 8.01 -1.26 -4.49 118.70 120.42 1dqa s GLU 528 Ca 0.03 -1.85 -0.03 0.00 0.01 0.00 0.00 54.97 53.13 1dqa s GLU 528 Cb -0.01 -1.67 0.02 0.00 -4.31 0.00 0.00 34.13 28.15 1dqa s GLU 528 CO -0.04 0.21 0.57 -1.71 0.01 0.00 0.00 175.26 174.30 1dqa n ASN 529 N -0.70 -1.18 -4.75 -0.19 5.15 -1.26 -4.87 115.26 107.46 1dqa n ASN 529 Ca -0.05 -0.94 -0.41 0.00 -0.60 0.00 0.00 54.58 52.58 1dqa n ASN 529 Cb 0.62 -3.38 -0.03 0.00 -0.53 0.00 0.00 39.78 36.47 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 -3.77 3.07 0.00 3.44 1.01 -1.26 -4.95 120.40 117.95 1dqa s VAL 530 Ca 0.12 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1dqa s VAL 530 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1dqa s VAL 530 CO 0.87 0.16 0.51 2.30 0.00 0.00 0.00 175.10 178.93 1dqa n ILE 531 N 2.16 0.16 -0.71 2.22 -5.35 -1.26 -4.58 119.36 112.00 1dqa n ILE 531 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1dqa n ILE 531 Cb 0.42 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 -0.08 0.07 3.16 3.28 0.00 -1.26 -4.81 105.19 105.55 1dqa n GLY 532 Ca 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.69 0.16 -0.29 1.61 -0.85 -0.79 -4.96 117.35 108.54 1dqa s TYR 533 Ca 0.00 -0.48 -0.06 0.00 -0.52 0.00 0.00 57.07 56.01 1dqa s TYR 533 Cb 0.00 -0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.26 1dqa s TYR 533 CO 0.00 -0.44 0.06 1.41 -1.52 0.00 0.00 175.55 175.06 1dqa s MET 534 N -3.01 2.98 -0.04 -3.49 -2.45 -1.26 -4.16 119.30 107.87 1dqa s MET 534 Ca -0.02 -0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 53.21 1dqa s MET 534 Cb 0.01 -3.31 -0.03 0.00 1.25 0.00 0.00 34.83 32.75 1dqa s MET 534 CO -0.06 -0.46 1.14 -2.14 1.05 0.00 0.00 175.02 174.55 1dqa s PRO 535 N 1.45 4.40 -0.15 4.11 0.02 -1.26 -5.03 135.00 138.54 1dqa s PRO 535 Ca 0.02 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1dqa s PRO 535 Cb -0.17 -3.52 -0.00 0.00 0.02 0.00 0.00 34.50 30.83 1dqa s PRO 535 CO 0.01 -0.36 -0.15 0.42 -0.33 0.00 0.00 177.00 176.60 1dqa s ILE 536 N 1.90 2.73 0.34 2.83 -1.09 -1.26 -5.09 121.20 121.57 1dqa s ILE 536 Ca 0.54 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 57.93 1dqa s ILE 536 Cb -0.24 -2.16 -0.12 0.00 -1.58 0.00 0.00 42.46 38.37 1dqa s ILE 536 CO 0.23 0.51 1.36 -2.65 -1.23 0.00 0.00 174.94 173.16 1dqa n PRO 537 N 4.03 2.28 -4.54 2.79 -0.02 -1.26 -4.75 135.00 133.53 1dqa n PRO 537 Ca -0.19 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1dqa n PRO 537 Cb 0.52 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.96 2.37 0.40 -1.45 1.01 -1.26 -1.30 120.40 119.21 1dqa s VAL 538 Ca 0.56 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1dqa s VAL 538 Cb -0.55 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1dqa s VAL 538 CO 0.61 0.53 0.08 -0.83 0.00 0.00 0.00 175.10 175.49 1dqa s GLY 539 N 0.87 2.38 -0.04 4.51 0.00 0.20 -4.93 107.32 110.31 1dqa s GLY 539 Ca -0.05 -2.18 0.05 0.00 0.00 0.00 0.00 44.72 42.54 1dqa s GLY 539 CO -0.02 -2.00 -0.20 0.54 0.00 0.00 0.00 173.10 171.43 1dqa s VAL 540 N -2.64 1.62 -0.05 1.40 0.11 -1.26 -1.05 120.40 118.52 1dqa s VAL 540 Ca 0.38 -0.84 0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1dqa s VAL 540 Cb 0.06 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1dqa s VAL 540 CO 0.20 0.46 -0.25 0.00 -3.33 0.00 0.00 175.10 172.18 1dqa s ALA 541 N -0.15 2.18 0.00 1.54 0.00 -0.50 -4.93 121.76 119.91 1dqa s ALA 541 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1dqa s ALA 541 Cb -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1dqa s ALA 541 CO 0.02 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1dqa n GLY 542 N 2.80 -0.16 3.77 0.00 0.00 -1.26 -1.01 105.19 109.33 1dqa n GLY 542 Ca -0.17 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.54 4.14 -0.37 1.61 0.04 -1.26 -4.91 135.00 132.71 1dqa s PRO 543 Ca 0.00 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1dqa s PRO 543 Cb 0.00 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 1dqa s PRO 543 CO 0.00 -0.32 0.37 -1.17 0.04 0.00 0.00 177.00 175.92 1dqa s LEU 544 N -2.20 4.60 -0.63 -3.56 2.96 0.43 -4.63 118.68 115.65 1dqa s LEU 544 Ca 0.54 -0.40 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 1dqa s LEU 544 Cb -0.36 -2.33 0.07 0.00 0.50 0.00 0.00 46.19 44.06 1dqa s LEU 544 CO 0.47 -0.41 0.93 0.00 -1.32 0.00 0.00 176.35 176.02 1dqa s LEU 546 N 3.90 1.16 -1.44 0.00 2.96 -0.65 -0.08 118.68 124.53 1dqa s LEU 546 Ca 0.23 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1dqa s LEU 546 Cb -0.17 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 45.92 1dqa s LEU 546 CO 0.12 -0.09 0.42 0.47 -1.32 0.00 0.00 176.35 175.95 1dqa n ASP 547 N 4.51 -0.48 -1.37 3.68 8.00 -0.07 -1.07 116.55 129.75 1dqa n ASP 547 Ca -0.17 -1.02 -0.17 0.00 0.71 0.00 0.00 54.79 54.14 1dqa n ASP 547 Cb 0.51 -2.94 -0.06 0.00 -0.02 0.00 0.00 41.12 38.60 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 -4.41 -1.18 -4.46 -1.24 1.02 -1.26 -4.99 120.64 104.11 1dqa n GLU 548 Ca -0.28 1.05 -0.22 0.00 -0.02 0.00 0.00 57.16 57.69 1dqa n GLU 548 Cb 0.67 -5.29 -0.11 0.00 -0.02 0.00 0.00 31.44 26.70 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 -3.61 1.66 -0.09 3.49 1.02 -0.24 -5.15 119.74 116.82 1dqa s LYS 549 Ca 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.11 1dqa s LYS 549 Cb 0.00 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 36.25 1dqa s LYS 549 CO 0.00 -0.09 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.01 1dqa s GLU 550 N -3.81 1.83 -0.01 1.68 2.02 -1.26 -1.63 118.70 117.53 1dqa s GLU 550 Ca 0.34 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 54.98 1dqa s GLU 550 Cb 0.07 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 1dqa s GLU 550 CO 0.14 -0.07 -0.24 -0.06 0.02 0.00 0.00 175.26 175.05 1dqa s PHE 551 N 1.02 2.40 -0.38 1.61 0.40 -0.43 -4.89 117.98 117.71 1dqa s PHE 551 Ca -0.07 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1dqa s PHE 551 Cb -0.15 -1.49 0.06 0.00 0.51 0.00 0.00 43.02 41.94 1dqa s PHE 551 CO -0.01 0.05 0.19 -0.65 0.70 0.00 0.00 175.22 175.50 1dqa s GLN 552 N -0.82 2.63 -0.29 0.44 -1.52 -1.26 -0.43 119.66 118.41 1dqa s GLN 552 Ca 0.11 -1.30 -0.21 0.00 -1.95 0.00 0.00 55.36 52.00 1dqa s GLN 552 Cb -0.10 -3.65 -0.01 0.00 -0.22 0.00 0.00 33.01 29.03 1dqa s GLN 552 CO 0.00 -0.81 0.67 0.08 -0.25 0.00 0.00 175.29 174.98 1dqa s VAL 553 N 1.43 4.91 0.14 1.09 1.01 -0.18 -4.60 120.40 124.20 1dqa s VAL 553 Ca 0.01 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 1dqa s VAL 553 Cb -0.21 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1dqa s VAL 553 CO 0.03 -0.13 0.94 -2.16 0.00 0.00 0.00 175.10 173.77 1dqa s PRO 554 N 2.67 4.71 -0.06 2.72 0.04 -1.26 -1.41 135.00 142.42 1dqa s PRO 554 Ca 0.27 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1dqa s PRO 554 Cb -0.15 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1dqa s PRO 554 CO 0.11 0.30 0.04 -1.64 0.04 0.00 0.00 177.00 175.85 1dqa s MET 555 N -0.30 0.21 -0.32 4.56 -1.94 -0.22 -4.41 119.30 116.88 1dqa s MET 555 Ca 0.45 0.25 -0.13 0.00 -1.71 0.00 0.00 55.69 54.55 1dqa s MET 555 Cb -0.24 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 35.84 1dqa s MET 555 CO 0.30 -0.33 0.28 0.00 -0.01 0.00 0.00 175.02 175.26 1dqa s ALA 556 N 2.09 3.51 0.18 3.03 0.00 -0.67 -0.63 121.76 129.28 1dqa s ALA 556 Ca 0.05 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1dqa s ALA 556 Cb -0.12 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.37 1dqa s ALA 556 CO -0.04 -0.88 0.65 -0.08 0.00 0.00 0.00 175.76 175.41 1dqa s THR 557 N 1.86 0.00 0.00 0.00 -1.32 -0.42 -4.25 115.64 111.52 1dqa s THR 557 Ca 0.09 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1dqa s THR 557 Cb -0.17 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 1dqa s THR 557 CO 0.11 0.00 0.83 0.35 -2.21 0.00 0.00 174.62 173.70 1dqa n THR 558 N -0.40 0.67 -2.94 5.08 -2.24 -1.26 -4.06 114.28 109.12 1dqa n THR 558 Ca -0.13 -0.82 -0.43 0.00 -2.27 0.00 0.00 64.05 60.40 1dqa n THR 558 Cb 0.63 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.67 3.55 0.43 -0.78 2.12 -1.26 -5.03 118.70 117.06 1dqa s GLU 559 Ca 0.00 0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.15 1dqa s GLU 559 Cb 0.00 -3.89 -0.09 0.00 0.26 0.00 0.00 34.13 30.41 1dqa s GLU 559 CO 0.00 -1.03 1.46 0.41 -0.54 0.00 0.00 175.26 175.56 1dqa n GLY 560 N 4.81 1.09 2.82 -1.50 0.00 -1.26 -2.61 105.19 108.54 1dqa n GLY 560 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.32 -0.54 0.00 5.85 -1.94 -0.25 115.31 118.11 1dqa h LEU 562 Ca 0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1dqa h LEU 562 Cb 0.00 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1dqa h LEU 562 CO 0.00 -0.21 0.18 0.58 -0.34 0.00 0.00 178.44 178.65 1dqa h VAL 563 N -0.41 1.23 -0.32 1.05 2.07 -1.91 -1.57 116.25 116.39 1dqa h VAL 563 Ca -0.04 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1dqa h VAL 563 Cb 0.31 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1dqa h VAL 563 CO 0.06 0.29 0.19 0.00 0.02 0.00 0.00 177.57 178.14 1dqa h ALA 564 N 1.04 0.40 -0.30 1.67 0.00 -1.92 0.57 119.26 120.71 1dqa h ALA 564 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dqa h ALA 564 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dqa h ALA 564 CO -0.01 -0.16 0.13 1.03 0.00 0.00 0.00 179.25 180.24 1dqa h SER 565 N 0.40 0.41 -0.74 0.00 0.87 -0.86 -1.21 113.55 112.41 1dqa h SER 565 Ca 0.12 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1dqa h SER 565 Cb -0.01 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1dqa h SER 565 CO -0.05 0.45 0.24 0.74 -0.53 0.00 0.00 176.83 177.68 1dqa h THR 566 N 0.35 1.26 -0.67 2.23 2.02 -1.11 -1.07 112.91 115.92 1dqa h THR 566 Ca 0.10 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1dqa h THR 566 Cb 0.16 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1dqa h THR 566 CO -0.01 0.36 0.33 -1.13 0.37 0.00 0.00 175.52 175.44 1dqa h ASN 567 N 1.11 0.86 -0.77 4.18 -1.24 -0.73 -0.80 115.58 118.19 1dqa h ASN 567 Ca 0.24 -0.12 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 1dqa h ASN 567 Cb 0.30 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 1dqa h ASN 567 CO -0.01 0.74 0.26 -0.09 -1.29 0.00 0.00 177.43 177.04 1dqa h ARG 568 N 0.92 1.18 -0.59 6.67 2.43 -0.66 -0.20 114.38 124.13 1dqa h ARG 568 Ca 0.23 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1dqa h ARG 568 Cb 0.10 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1dqa h ARG 568 CO -0.03 0.99 0.13 0.78 -1.51 0.00 0.00 179.97 180.32 1dqa h GLY 569 N 1.14 1.02 1.00 2.80 0.00 -0.77 -1.65 103.07 106.62 1dqa h GLY 569 Ca 0.25 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1dqa h GLY 569 CO -0.01 0.61 0.56 0.00 0.00 0.00 0.00 176.54 177.70 1dqa h ARG 571 N 1.14 0.92 -0.67 0.00 9.65 -0.73 0.58 114.38 125.27 1dqa h ARG 571 Ca 0.31 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1dqa h ARG 571 Cb -0.13 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.24 1dqa h ARG 571 CO -0.07 0.70 0.14 0.00 2.80 0.00 0.00 179.97 183.54 1dqa h ALA 572 N 1.17 0.98 -0.49 2.80 0.00 -0.85 -1.73 119.26 121.15 1dqa h ALA 572 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1dqa h ALA 572 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1dqa h ALA 572 CO -0.04 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.71 1dqa h ILE 573 N 1.02 1.26 -0.06 0.00 2.04 -0.76 -1.75 117.51 119.26 1dqa h ILE 573 Ca 0.21 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1dqa h ILE 573 Cb 0.39 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1dqa h ILE 573 CO 0.01 0.36 0.02 1.23 0.00 0.00 0.00 178.15 179.77 1dqa h GLY 574 N 0.72 0.09 2.00 5.37 0.00 -0.65 0.41 103.07 111.02 1dqa h GLY 574 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dqa h GLY 574 CO 0.02 0.05 0.00 1.04 0.00 0.00 0.00 176.54 177.65 1dqa n LEU 575 N -4.96 0.67 -0.74 3.11 4.77 -0.67 -1.58 117.00 117.59 1dqa n LEU 575 Ca -0.06 0.70 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 1dqa n LEU 575 Cb 0.11 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 40.87 1dqa n LEU 575 CO 0.34 -0.67 0.74 0.61 -1.33 0.00 0.00 177.39 177.08 1dqa n GLY 576 N -0.33 0.74 0.73 -0.72 0.00 -0.65 -4.90 105.19 100.06 1dqa n GLY 576 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.24 0.77 0.00 -0.02 0.00 -0.62 -4.70 105.19 101.87 1dqa n GLY 577 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.17 0.12 3.65 -0.02 0.00 0.05 -5.02 105.19 101.79 1dqa n GLY 578 Ca 0.00 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.01 3.16 -0.02 4.61 0.00 0.88 -4.60 121.76 123.79 1dqa s ALA 579 Ca 0.00 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.46 1dqa s ALA 579 Cb 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1dqa s ALA 579 CO 0.00 0.34 -0.18 -1.12 0.00 0.00 0.00 175.76 174.81 1dqa s SER 580 N -3.39 2.08 0.11 0.00 0.01 -0.56 -0.90 113.70 111.06 1dqa s SER 580 Ca 0.30 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1dqa s SER 580 Cb -0.07 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1dqa s SER 580 CO 0.19 0.21 -0.06 -0.94 0.41 0.00 0.00 173.24 173.05 1dqa s SER 581 N -0.34 1.22 -0.03 2.44 1.04 -1.26 -0.88 113.70 115.89 1dqa s SER 581 Ca 0.05 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 1dqa s SER 581 Cb -0.08 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1dqa s SER 581 CO -0.00 -0.46 0.09 -0.13 0.98 0.00 0.00 173.24 173.72 1dqa s ARG 582 N -3.84 0.14 -0.22 4.02 1.81 -0.25 -5.00 118.95 115.61 1dqa s ARG 582 Ca 0.14 0.07 -0.17 0.00 -1.72 0.00 0.00 55.73 54.05 1dqa s ARG 582 Cb 0.05 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.58 1dqa s ARG 582 CO -0.03 -0.02 0.48 0.08 -0.68 0.00 0.00 175.30 175.13 1dqa s VAL 583 N -0.10 5.12 -0.12 3.52 1.01 -1.26 -1.75 120.40 126.81 1dqa s VAL 583 Ca -0.02 0.85 0.17 0.00 0.00 0.00 0.00 61.98 62.99 1dqa s VAL 583 Cb -0.01 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 1dqa s VAL 583 CO 0.00 0.16 0.50 0.18 0.00 0.00 0.00 175.10 175.94 1dqa n LEU 584 N 4.98 0.45 -3.44 3.92 4.77 0.15 -5.00 117.00 122.83 1dqa n LEU 584 Ca -0.06 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1dqa n LEU 584 Cb 0.50 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 1dqa n LEU 584 CO 0.41 0.28 0.46 0.00 -1.33 0.00 0.00 177.39 177.20 1dqa s ALA 585 N -2.82 -1.65 -0.25 -1.18 0.00 -1.16 -4.94 121.76 109.75 1dqa s ALA 585 Ca -0.06 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1dqa s ALA 585 Cb 0.08 0.76 0.14 0.00 0.00 0.00 0.00 23.12 24.10 1dqa s ALA 585 CO 0.83 -0.74 0.38 0.34 0.00 0.00 0.00 175.76 176.58 1dqa s ASP 586 N -2.63 0.26 -0.30 0.00 2.15 -1.25 -1.18 116.67 113.72 1dqa s ASP 586 Ca 0.01 0.14 -0.13 0.00 0.43 0.00 0.00 52.55 53.00 1dqa s ASP 586 Cb -0.01 1.12 0.18 0.00 -0.30 0.00 0.00 42.92 43.91 1dqa s ASP 586 CO -0.11 -0.31 1.03 -0.83 -0.17 0.00 0.00 175.17 174.78 1dqa s GLY 587 N 2.55 -0.30 0.59 2.66 0.00 0.28 -4.48 107.32 108.62 1dqa s GLY 587 Ca 0.12 2.86 -0.16 0.00 0.00 0.00 0.00 44.72 47.54 1dqa s GLY 587 CO -0.18 3.62 1.05 -0.29 0.00 0.00 0.00 173.10 177.30 1dqa s MET 588 N 2.76 3.39 0.11 2.90 1.75 -0.41 -0.74 119.30 129.06 1dqa s MET 588 Ca -0.00 1.17 0.02 0.00 -1.25 0.00 0.00 55.69 55.63 1dqa s MET 588 Cb -0.09 -2.04 -0.04 0.00 2.84 0.00 0.00 34.83 35.49 1dqa s MET 588 CO -0.13 -0.75 -0.06 0.95 -0.65 0.00 0.00 175.02 174.38 1dqa s THR 589 N -2.49 0.72 -0.07 10.11 -4.23 -1.26 -1.42 115.64 117.00 1dqa s THR 589 Ca 0.63 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1dqa s THR 589 Cb -0.15 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1dqa s THR 589 CO 0.37 -0.80 0.17 -0.60 -0.54 0.00 0.00 174.62 173.23 1dqa s ARG 590 N -3.84 0.14 -0.67 3.99 6.06 -0.88 -4.88 118.95 118.87 1dqa s ARG 590 Ca 0.14 0.38 0.05 0.00 -2.50 0.00 0.00 55.73 53.81 1dqa s ARG 590 Cb 0.05 -0.12 0.17 0.00 0.06 0.00 0.00 34.95 35.12 1dqa s ARG 590 CO -0.03 -0.14 0.48 0.20 -2.50 0.00 0.00 175.30 173.31 1dqa s GLY 591 N 1.00 2.70 0.83 8.12 0.00 -1.26 -0.79 107.32 117.92 1dqa s GLY 591 Ca -0.08 -3.65 -0.11 0.00 0.00 0.00 0.00 44.72 40.88 1dqa s GLY 591 CO -0.05 1.23 1.10 2.56 0.00 0.00 0.00 173.10 177.94 1dqa s PRO 592 N -1.26 1.78 -0.15 2.90 0.04 -1.14 -0.42 135.00 136.75 1dqa s PRO 592 Ca 0.26 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1dqa s PRO 592 Cb -0.03 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 1dqa s PRO 592 CO -0.17 -1.99 -0.16 0.54 0.04 0.00 0.00 177.00 175.25 1dqa s VAL 593 N -2.84 2.62 0.28 -0.36 0.11 -0.83 -2.33 120.40 117.05 1dqa s VAL 593 Ca 0.63 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1dqa s VAL 593 Cb -0.19 -2.09 -0.06 0.00 -1.53 0.00 0.00 36.38 32.51 1dqa s VAL 593 CO 0.57 0.52 -0.05 0.68 -3.33 0.00 0.00 175.10 173.49 1dqa s VAL 594 N 0.72 1.62 0.01 2.04 -7.23 -0.20 -1.62 120.40 115.73 1dqa s VAL 594 Ca -0.07 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 1dqa s VAL 594 Cb -0.16 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1dqa s VAL 594 CO 0.01 -0.28 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.34 1dqa s ARG 595 N -3.74 0.38 0.35 4.82 0.52 0.85 -0.56 118.95 121.58 1dqa s ARG 595 Ca 0.30 -0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.22 1dqa s ARG 595 Cb 0.04 -0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 1dqa s ARG 595 CO 0.12 0.06 0.00 -0.51 0.02 0.00 0.00 175.30 175.00 1dqa s LEU 596 N -0.67 2.93 0.32 2.53 2.01 -0.55 -0.31 118.68 124.94 1dqa s LEU 596 Ca -0.04 -1.08 0.02 0.00 0.01 0.00 0.00 54.13 53.05 1dqa s LEU 596 Cb -0.05 -1.24 0.60 0.00 0.01 0.00 0.00 46.19 45.51 1dqa s LEU 596 CO -0.00 -0.28 1.93 -0.65 1.01 0.00 0.00 176.35 178.37 1dqa h PRO 597 N 1.82 0.91 -4.49 1.29 0.11 -1.87 -3.45 132.00 126.31 1dqa h PRO 597 Ca -0.43 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1dqa h PRO 597 Cb 1.25 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 1dqa h PRO 597 CO 0.69 0.60 -0.69 1.03 -0.21 0.00 0.00 178.00 179.42 1dqa s ARG 598 N -5.82 0.74 0.38 1.05 1.81 -1.26 -4.97 118.95 110.88 1dqa s ARG 598 Ca -0.11 -1.28 0.09 0.00 -1.72 0.00 0.00 55.73 52.71 1dqa s ARG 598 Cb 0.19 -0.05 0.75 0.00 -0.45 0.00 0.00 34.95 35.40 1dqa s ARG 598 CO 0.79 -0.05 1.90 0.00 -0.68 0.00 0.00 175.30 177.26 1dqa h ALA 599 N 3.06 1.48 -0.29 2.13 0.00 -1.87 0.14 119.26 123.91 1dqa h ALA 599 Ca -0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1dqa h ALA 599 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1dqa h ALA 599 CO 0.65 0.37 0.04 0.00 0.00 0.00 0.00 179.25 180.31 1dqa h ASP 601 N 0.41 0.22 -0.48 0.00 3.32 -1.43 -2.55 116.42 115.91 1dqa h ASP 601 Ca 0.10 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 1dqa h ASP 601 Cb 0.21 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1dqa h ASP 601 CO 0.00 0.84 0.25 0.77 -1.72 0.00 0.00 179.24 179.38 1dqa h SER 602 N -0.38 0.64 -0.85 6.45 4.64 -0.94 -1.42 113.55 121.69 1dqa h SER 602 Ca -0.01 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1dqa h SER 602 Cb 0.83 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1dqa h SER 602 CO 0.04 0.55 0.42 0.00 -0.87 0.00 0.00 176.83 176.96 1dqa h ALA 603 N 1.56 1.10 -0.66 5.18 0.00 -1.04 -0.71 119.26 124.68 1dqa h ALA 603 Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dqa h ALA 603 Cb 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1dqa h ALA 603 CO -0.02 0.66 0.20 1.49 0.00 0.00 0.00 179.25 181.57 1dqa h GLU 604 N 1.21 1.03 -0.60 0.00 4.81 -0.86 -0.98 114.58 119.20 1dqa h GLU 604 Ca 0.29 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1dqa h GLU 604 Cb 0.11 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1dqa h GLU 604 CO -0.04 0.91 0.21 0.28 -0.73 0.00 0.00 179.01 179.64 1dqa h VAL 605 N 0.96 1.24 -0.42 0.32 2.07 -0.78 -0.36 116.25 119.28 1dqa h VAL 605 Ca 0.21 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1dqa h VAL 605 Cb 0.31 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1dqa h VAL 605 CO -0.00 0.30 0.27 0.50 0.02 0.00 0.00 177.57 178.66 1dqa h LYS 606 N 0.85 0.53 -0.72 1.57 3.64 -0.90 0.14 116.57 121.68 1dqa h LYS 606 Ca 0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1dqa h LYS 606 Cb 0.25 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1dqa h LYS 606 CO -0.01 0.35 0.36 0.00 -2.27 0.00 0.00 179.45 177.89 1dqa h ALA 607 N 1.17 0.93 -0.34 5.00 0.00 -0.89 -2.16 119.26 122.97 1dqa h ALA 607 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dqa h ALA 607 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1dqa h ALA 607 CO -0.05 0.47 0.20 2.35 0.00 0.00 0.00 179.25 182.23 1dqa h TRP 608 N 1.00 0.45 0.00 0.00 7.01 -0.62 -2.24 115.95 121.55 1dqa h TRP 608 Ca 0.25 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 1dqa h TRP 608 Cb 0.09 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1dqa h TRP 608 CO 0.00 0.34 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.85 1dqa h LEU 609 N 0.44 0.00 -0.19 0.65 3.38 -0.74 -2.05 115.31 116.79 1dqa h LEU 609 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dqa h LEU 609 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dqa h LEU 609 CO -0.02 0.07 -0.14 -0.62 0.09 0.00 0.00 178.44 177.82 1dqa n GLU 610 N -3.73 0.54 -2.35 1.13 1.02 -0.83 -3.84 120.64 112.58 1dqa n GLU 610 Ca -0.02 -0.19 -0.30 0.00 -0.02 0.00 0.00 57.16 56.62 1dqa n GLU 610 Cb 0.17 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.59 4.72 0.18 2.62 -4.23 -0.77 -4.95 115.64 110.63 1dqa s THR 611 Ca 0.25 0.77 -0.09 0.00 -1.18 0.00 0.00 61.69 61.43 1dqa s THR 611 Cb 0.20 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.31 1dqa s THR 611 CO 0.51 -0.85 1.66 0.77 -0.54 0.00 0.00 174.62 176.16 1dqa h SER 612 N 0.41 1.04 -0.47 3.99 4.64 -1.89 -2.00 113.55 119.27 1dqa h SER 612 Ca -0.46 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.45 1dqa h SER 612 Cb 1.19 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1dqa h SER 612 CO 0.62 1.07 -0.20 1.05 -0.87 0.00 0.00 176.83 178.50 1dqa h GLU 613 N 0.99 0.98 -0.02 4.77 9.09 -1.94 0.81 114.58 129.26 1dqa h GLU 613 Ca 0.18 -0.41 -0.00 0.00 0.05 0.00 0.00 59.36 59.18 1dqa h GLU 613 Cb 0.50 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1dqa h GLU 613 CO 0.02 1.08 0.01 0.78 0.05 0.00 0.00 179.01 180.95 1dqa h GLY 614 N 0.89 0.03 0.82 1.06 0.00 -1.67 -1.90 103.07 102.31 1dqa h GLY 614 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1dqa h GLY 614 CO 0.06 0.01 0.22 -2.75 0.00 0.00 0.00 176.54 174.09 1dqa h PHE 615 N -0.13 0.41 -0.61 5.60 3.57 -1.30 -1.88 116.94 122.60 1dqa h PHE 615 Ca 0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1dqa h PHE 615 Cb 0.16 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 1dqa h PHE 615 CO -0.02 0.22 0.20 0.00 -2.23 0.00 0.00 178.31 176.48 1dqa h ALA 616 N 1.21 0.77 -0.77 2.41 0.00 -0.63 0.35 119.26 122.59 1dqa h ALA 616 Ca 0.17 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1dqa h ALA 616 Cb 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dqa h ALA 616 CO -0.11 -0.23 0.37 0.28 0.00 0.00 0.00 179.25 179.56 1dqa h VAL 617 N 0.36 1.25 -0.28 0.00 2.07 -0.98 -1.28 116.25 117.38 1dqa h VAL 617 Ca 0.31 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1dqa h VAL 617 Cb 0.42 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1dqa h VAL 617 CO -0.34 0.30 -0.23 0.40 0.02 0.00 0.00 177.57 177.72 1dqa h ILE 618 N 1.09 1.30 -0.66 4.57 1.08 -0.40 -2.78 117.51 121.72 1dqa h ILE 618 Ca 0.27 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1dqa h ILE 618 Cb 0.13 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1dqa h ILE 618 CO -0.03 0.44 0.39 0.50 -0.69 0.00 0.00 178.15 178.75 1dqa h LYS 619 N 0.40 0.90 -0.24 2.37 3.64 -0.16 -0.81 116.57 122.66 1dqa h LYS 619 Ca 0.05 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1dqa h LYS 619 Cb 0.78 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1dqa h LYS 619 CO 0.06 0.65 0.07 1.49 -2.27 0.00 0.00 179.45 179.44 1dqa h GLU 620 N 0.89 0.16 -0.51 1.90 4.81 -1.19 0.40 114.58 121.04 1dqa h GLU 620 Ca 0.23 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1dqa h GLU 620 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1dqa h GLU 620 CO -0.04 0.11 0.21 0.00 -0.73 0.00 0.00 179.01 178.56 1dqa h ALA 621 N 1.16 0.67 0.16 2.92 0.00 -1.27 -2.42 119.26 120.47 1dqa h ALA 621 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dqa h ALA 621 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dqa h ALA 621 CO -0.12 0.27 -0.07 0.35 0.00 0.00 0.00 179.25 179.67 1dqa h PHE 622 N 0.69 -0.19 0.00 0.00 3.57 -0.66 -3.16 116.94 117.19 1dqa h PHE 622 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1dqa h PHE 622 Cb 0.18 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1dqa h PHE 622 CO 0.00 -0.00 0.00 -0.44 -2.23 0.00 0.00 178.31 175.64 1dqa h ASP 623 N -0.36 0.00 0.84 0.41 5.19 -0.17 -3.02 116.42 119.31 1dqa h ASP 623 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1dqa h ASP 623 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1dqa h ASP 623 CO 0.04 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.62 1dqa n SER 624 N -3.00 0.65 -0.09 6.45 3.41 -0.92 -3.40 113.62 116.72 1dqa n SER 624 Ca -0.01 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1dqa n SER 624 Cb 0.20 -0.79 0.46 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.20 0.00 -3.55 6.66 -2.24 -1.14 -4.93 114.28 106.88 1dqa n THR 625 Ca 0.03 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1dqa n THR 625 Cb 0.26 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.71 -0.39 0.32 3.42 0.15 -1.22 -4.95 113.70 108.33 1dqa s SER 626 Ca 0.21 -0.10 0.17 0.00 0.70 0.00 0.00 55.95 56.93 1dqa s SER 626 Cb 0.19 0.52 0.33 0.00 -1.71 0.00 0.00 66.02 65.35 1dqa s SER 626 CO 0.55 -0.85 1.57 -0.09 1.20 0.00 0.00 173.24 175.62 1dqa h ARG 627 N 2.36 0.00 0.00 5.44 2.43 -1.92 -3.37 114.38 119.32 1dqa h ARG 627 Ca -0.33 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1dqa h ARG 627 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1dqa h ARG 627 CO 0.43 0.45 -1.39 1.19 -1.51 0.00 0.00 179.97 179.14 1dqa n PHE 628 N -3.34 0.00 -2.26 2.20 3.01 -1.26 -4.98 117.46 110.83 1dqa n PHE 628 Ca 0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 1dqa n PHE 628 Cb 0.64 -0.23 -0.02 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 -2.39 3.35 -0.19 4.37 0.00 -1.26 -4.01 121.76 121.63 1dqa s ALA 629 Ca -0.03 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1dqa s ALA 629 Cb 0.04 -3.80 0.05 0.00 0.00 0.00 0.00 23.12 19.41 1dqa s ALA 629 CO 0.30 -1.81 -0.04 1.03 0.00 0.00 0.00 175.76 175.24 1dqa s ARG 630 N 4.37 1.42 -0.07 0.00 1.81 -1.14 -4.44 118.95 120.89 1dqa s ARG 630 Ca 0.64 -0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 53.69 1dqa s ARG 630 Cb -0.21 -2.22 -0.06 0.00 -0.45 0.00 0.00 34.95 32.00 1dqa s ARG 630 CO 0.26 -0.51 1.90 -1.17 -0.68 0.00 0.00 175.30 175.10 1dqa s LEU 631 N 1.58 4.13 -0.16 2.53 2.96 -1.26 -1.94 118.68 126.52 1dqa s LEU 631 Ca -0.02 2.26 -0.05 0.00 -0.22 0.00 0.00 54.13 56.10 1dqa s LEU 631 Cb -0.17 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 1dqa s LEU 631 CO -0.07 -1.24 0.20 0.00 -1.32 0.00 0.00 176.35 173.91 1dqa n GLN 632 N 7.72 0.72 -3.76 1.98 6.02 0.76 -4.97 117.38 125.86 1dqa n GLN 632 Ca 0.21 0.25 -0.04 0.00 -0.01 0.00 0.00 57.00 57.41 1dqa n GLN 632 Cb 0.43 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.54 1.26 -0.04 -1.09 -2.85 -1.07 -5.04 119.74 108.37 1dqa s LYS 633 Ca -0.26 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 54.05 1dqa s LYS 633 Cb 0.07 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1dqa s LYS 633 CO 0.71 -0.58 -0.14 -0.51 0.10 0.00 0.00 175.35 174.94 1dqa s LEU 634 N -2.93 1.84 -0.24 2.77 1.02 -1.26 -1.64 118.68 118.24 1dqa s LEU 634 Ca 0.12 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.00 1dqa s LEU 634 Cb -0.02 -0.81 0.05 0.00 0.02 0.00 0.00 46.19 45.43 1dqa s LEU 634 CO 0.02 0.11 -0.12 -2.28 0.02 0.00 0.00 176.35 174.10 1dqa s HIS 635 N 0.17 3.14 -0.14 0.29 5.65 -0.70 -4.96 115.29 118.73 1dqa s HIS 635 Ca -0.05 -2.10 -0.04 0.00 0.25 0.00 0.00 55.06 53.12 1dqa s HIS 635 Cb -0.11 -1.94 -0.03 0.00 -1.18 0.00 0.00 32.58 29.32 1dqa s HIS 635 CO 0.02 -0.85 -0.02 0.95 -0.65 0.00 0.00 174.74 174.19 1dqa s THR 636 N 1.17 4.09 -0.03 0.89 -4.23 -1.26 -0.28 115.64 115.99 1dqa s THR 636 Ca -0.05 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1dqa s THR 636 Cb -0.18 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1dqa s THR 636 CO -0.07 0.51 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.87 1dqa s SER 637 N 0.10 1.34 0.00 3.99 0.15 0.17 -5.00 113.70 114.47 1dqa s SER 637 Ca 0.01 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1dqa s SER 637 Cb -0.13 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1dqa s SER 637 CO 0.02 0.09 0.03 -0.63 1.20 0.00 0.00 173.24 173.95 1dqa s ILE 638 N 0.11 4.35 -0.43 6.45 1.01 -1.26 -0.24 121.20 131.19 1dqa s ILE 638 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1dqa s ILE 638 Cb -0.08 -2.97 0.16 0.00 0.01 0.00 0.00 42.46 39.58 1dqa s ILE 638 CO 0.01 0.35 0.33 0.00 0.00 0.00 0.00 174.94 175.62 1dqa s ALA 639 N -1.14 1.55 0.00 9.38 0.00 -0.79 -5.00 121.76 125.76 1dqa s ALA 639 Ca 0.21 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.70 1dqa s ALA 639 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1dqa s ALA 639 CO 0.12 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.28 1dqa n GLY 640 N 2.99 2.66 0.00 0.00 0.00 -1.26 -1.48 105.19 108.10 1dqa n GLY 640 Ca 0.25 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 13.32 0.67 -3.17 1.61 1.85 -1.26 -4.40 116.66 125.28 1dqa n ARG 641 Ca 0.00 0.01 -0.33 0.00 -1.00 0.00 0.00 57.85 56.53 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 -2.30 6.79 -0.05 2.89 -0.87 -0.55 -1.48 114.94 119.38 1dqa s ASN 642 Ca 0.36 1.26 -0.00 0.00 -1.57 0.00 0.00 52.86 52.91 1dqa s ASN 642 Cb 0.20 -2.36 0.03 0.00 -0.02 0.00 0.00 41.25 39.10 1dqa s ASN 642 CO 0.40 -0.16 -0.00 -0.22 -2.57 0.00 0.00 177.10 174.55 1dqa s LEU 643 N -2.83 0.92 -0.21 0.60 2.96 0.28 -1.89 118.68 118.51 1dqa s LEU 643 Ca 0.52 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1dqa s LEU 643 Cb -0.11 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 1dqa s LEU 643 CO 0.18 -0.13 0.02 -0.31 -1.32 0.00 0.00 176.35 174.79 1dqa s TYR 644 N 1.40 3.07 -0.25 5.38 1.51 0.66 -1.04 117.35 128.09 1dqa s TYR 644 Ca -0.04 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1dqa s TYR 644 Cb -0.13 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1dqa s TYR 644 CO -0.03 -0.21 -0.09 0.42 -1.11 0.00 0.00 175.55 174.54 1dqa s ILE 645 N 1.04 2.56 -0.53 2.71 1.01 -0.98 -0.65 121.20 126.36 1dqa s ILE 645 Ca 0.03 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.20 1dqa s ILE 645 Cb -0.14 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1dqa s ILE 645 CO 0.02 0.12 0.75 -0.60 0.00 0.00 0.00 174.94 175.23 1dqa s ARG 646 N 1.24 3.20 -0.07 2.79 3.52 0.61 -3.08 118.95 127.16 1dqa s ARG 646 Ca -0.03 -0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.66 1dqa s ARG 646 Cb -0.18 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.09 1dqa s ARG 646 CO -0.05 -1.34 0.77 -0.06 -0.81 0.00 0.00 175.30 173.81 1dqa s PHE 647 N 3.14 3.57 -0.12 5.12 0.40 0.03 -1.72 117.98 128.41 1dqa s PHE 647 Ca 0.21 1.33 0.02 0.00 -0.60 0.00 0.00 56.93 57.89 1dqa s PHE 647 Cb -0.17 -2.89 0.02 0.00 0.51 0.00 0.00 43.02 40.49 1dqa s PHE 647 CO 0.14 0.03 -0.16 -1.14 0.70 0.00 0.00 175.22 174.80 1dqa s GLN 648 N 0.99 2.30 0.01 0.44 0.74 -0.65 -2.07 119.66 121.42 1dqa s GLN 648 Ca 0.40 -0.58 -0.07 0.00 0.05 0.00 0.00 55.36 55.16 1dqa s GLN 648 Cb -0.18 -1.97 -0.00 0.00 1.10 0.00 0.00 33.01 31.95 1dqa s GLN 648 CO 0.19 -0.09 0.12 0.45 -0.55 0.00 0.00 175.29 175.42 1dqa s SER 649 N 1.06 0.07 0.90 6.67 0.15 -0.51 -0.17 113.70 121.87 1dqa s SER 649 Ca -0.05 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 1dqa s SER 649 Cb -0.15 0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.50 1dqa s SER 649 CO -0.03 -0.40 1.10 -0.13 1.20 0.00 0.00 173.24 174.98 1dqa s ARG 650 N -1.67 1.27 -0.09 5.44 1.81 -0.82 -1.28 118.95 123.61 1dqa s ARG 650 Ca -0.13 0.64 0.10 0.00 -1.72 0.00 0.00 55.73 54.62 1dqa s ARG 650 Cb -0.06 -1.82 0.22 0.00 -0.45 0.00 0.00 34.95 32.83 1dqa s ARG 650 CO 0.00 -2.19 1.15 -1.13 -0.68 0.00 0.00 175.30 172.46 1dqa n SER 651 N -3.82 -0.42 0.00 0.23 3.41 -1.26 -2.88 113.62 108.88 1dqa n SER 651 Ca 0.07 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1dqa n SER 651 Cb 0.56 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.23 3.19 0.68 5.00 0.00 -1.26 -1.88 105.19 110.69 1dqa n GLY 652 Ca -0.15 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 2.88 2.08 -4.86 1.61 8.00 -1.26 -4.07 116.55 120.92 1dqa n ASP 653 Ca 0.00 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.44 1dqa n ASP 653 Cb 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.81 3.36 0.39 2.24 0.00 -0.79 0.17 121.76 125.32 1dqa s ALA 654 Ca 0.34 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.26 1dqa s ALA 654 Cb 0.19 -2.71 0.78 0.00 0.00 0.00 0.00 23.12 21.38 1dqa s ALA 654 CO 0.29 0.20 2.01 1.98 0.00 0.00 0.00 175.76 180.25 1dqa h MET 655 N 1.84 0.57 0.00 0.00 4.05 -1.73 -3.44 114.93 116.23 1dqa h MET 655 Ca -0.47 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1dqa h MET 655 Cb 1.18 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1dqa h MET 655 CO 0.65 0.42 0.00 0.41 0.23 0.00 0.00 176.91 178.62 1dqa n GLY 656 N -1.34 0.72 0.14 1.39 0.00 -1.26 -4.74 105.19 100.10 1dqa n GLY 656 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1dqa n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1dqa h MET 657 N 4.19 -0.08 -0.55 1.61 4.05 -1.95 0.25 114.93 122.45 1dqa h MET 657 Ca 0.00 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1dqa h MET 657 Cb 0.00 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1dqa h MET 657 CO 0.00 -0.05 0.08 -0.91 0.23 0.00 0.00 176.91 176.25 1dqa h ASN 658 N -0.08 0.89 -0.04 1.39 2.35 -1.99 -0.76 115.58 117.34 1dqa h ASN 658 Ca 0.10 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1dqa h ASN 658 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1dqa h ASN 658 CO -0.22 0.93 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.44 1dqa h MET 659 N 0.81 -0.01 -0.61 0.81 4.05 -1.89 0.14 114.93 118.22 1dqa h MET 659 Ca 0.17 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 1dqa h MET 659 Cb 0.43 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1dqa h MET 659 CO 0.01 -0.01 0.10 0.82 0.23 0.00 0.00 176.91 178.06 1dqa h ILE 660 N -0.01 1.25 -0.54 1.77 1.08 -0.45 -1.41 117.51 119.20 1dqa h ILE 660 Ca 0.02 -0.98 -0.07 0.00 -0.39 0.00 0.00 64.86 63.44 1dqa h ILE 660 Cb 0.05 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1dqa h ILE 660 CO -0.05 0.36 0.07 0.28 -0.69 0.00 0.00 178.15 178.13 1dqa h SER 661 N 0.93 0.87 -0.65 1.72 0.02 -0.75 0.64 113.55 116.33 1dqa h SER 661 Ca 0.19 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1dqa h SER 661 Cb 0.41 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1dqa h SER 661 CO 0.01 0.92 0.24 0.50 -1.14 0.00 0.00 176.83 177.36 1dqa h LYS 662 N 0.79 0.98 -0.62 3.45 3.64 -0.81 -0.57 116.57 123.43 1dqa h LYS 662 Ca 0.16 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1dqa h LYS 662 Cb 0.43 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1dqa h LYS 662 CO 0.01 0.83 0.05 0.78 -2.27 0.00 0.00 179.45 178.86 1dqa h GLY 663 N 0.92 1.15 0.98 5.01 0.00 -0.93 -2.51 103.07 107.69 1dqa h GLY 663 Ca 0.21 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1dqa h GLY 663 CO -0.01 0.75 0.22 -0.84 0.00 0.00 0.00 176.54 176.65 1dqa h THR 664 N 0.98 1.12 -0.53 4.70 2.02 -0.47 -1.10 112.91 119.64 1dqa h THR 664 Ca 0.18 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1dqa h THR 664 Cb 0.50 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1dqa h THR 664 CO 0.02 0.13 0.21 -0.08 0.37 0.00 0.00 175.52 176.17 1dqa h GLU 665 N 0.48 0.40 -0.32 6.66 4.81 -0.89 0.20 114.58 125.91 1dqa h GLU 665 Ca 0.13 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 1dqa h GLU 665 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1dqa h GLU 665 CO -0.02 0.26 -0.42 0.87 -0.73 0.00 0.00 179.01 178.97 1dqa h LYS 666 N 0.41 0.80 -0.59 1.92 1.57 -1.18 -2.42 116.57 117.08 1dqa h LYS 666 Ca 0.25 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1dqa h LYS 666 Cb 0.25 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1dqa h LYS 666 CO -0.23 1.06 0.14 0.00 -0.57 0.00 0.00 179.45 179.85 1dqa h ALA 667 N 0.87 1.13 -0.24 3.86 0.00 -0.64 -1.57 119.26 122.67 1dqa h ALA 667 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1dqa h ALA 667 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dqa h ALA 667 CO 0.09 0.58 -0.40 -0.07 0.00 0.00 0.00 179.25 179.46 1dqa h LEU 668 N 0.88 0.60 -0.82 0.00 3.38 -0.87 -1.01 115.31 117.48 1dqa h LEU 668 Ca 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1dqa h LEU 668 Cb 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1dqa h LEU 668 CO -0.00 0.94 0.43 0.28 0.09 0.00 0.00 178.44 180.18 1dqa h SER 669 N 0.47 1.04 -0.46 -0.43 0.02 -0.97 -1.39 113.55 111.83 1dqa h SER 669 Ca 0.04 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1dqa h SER 669 Cb 0.90 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1dqa h SER 669 CO 0.08 0.85 0.14 0.50 -1.14 0.00 0.00 176.83 177.26 1dqa h LYS 670 N 1.14 0.73 -0.94 3.45 1.63 -1.02 -2.92 116.57 118.64 1dqa h LYS 670 Ca 0.29 -0.16 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1dqa h LYS 670 Cb 0.06 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 1dqa h LYS 670 CO -0.04 0.70 0.62 1.25 -3.45 0.00 0.00 179.45 178.52 1dqa h LEU 671 N 0.62 1.02 -1.65 5.20 5.85 -0.74 -1.71 115.31 123.90 1dqa h LEU 671 Ca 0.15 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1dqa h LEU 671 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1dqa h LEU 671 CO -0.00 0.70 0.25 -0.74 -0.34 0.00 0.00 178.44 178.31 1dqa h HIS 672 N 1.19 0.44 -0.58 1.25 2.76 -1.08 0.02 115.15 119.15 1dqa h HIS 672 Ca 0.37 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 1dqa h HIS 672 Cb 0.00 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1dqa h HIS 672 CO -0.00 0.27 0.24 0.93 -1.30 0.00 0.00 177.93 178.08 1dqa h GLU 673 N 0.47 0.84 0.00 5.26 5.08 -1.17 -0.96 114.58 124.10 1dqa h GLU 673 Ca 0.14 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1dqa h GLU 673 Cb -0.01 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1dqa h GLU 673 CO -0.03 0.68 -0.92 1.88 -1.00 0.00 0.00 179.01 179.62 1dqa h TYR 674 N 0.83 0.00 -2.46 4.33 -1.99 -1.19 -3.39 116.97 113.10 1dqa h TYR 674 Ca 0.20 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.34 1dqa h TYR 674 Cb 0.15 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.48 1dqa h TYR 674 CO 0.01 0.74 -0.85 1.19 -0.00 0.00 0.00 178.16 179.25 1dqa n PHE 675 N -3.21 0.77 0.22 4.88 3.01 -0.14 -4.97 117.46 118.01 1dqa n PHE 675 Ca -0.02 -3.71 0.14 0.00 1.01 0.00 0.00 57.45 54.87 1dqa n PHE 675 Cb 0.85 -0.17 0.73 0.00 -0.01 0.00 0.00 39.48 40.88 1dqa n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dqa h PRO 676 N 5.10 0.00 0.00 -1.08 0.13 -1.40 -1.00 132.00 133.75 1dqa h PRO 676 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1dqa h PRO 676 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1dqa h PRO 676 CO 0.53 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.23 1dqa h GLU 677 N 0.00 0.00 -6.64 0.86 3.07 -1.94 -3.45 114.58 106.49 1dqa h GLU 677 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1dqa h GLU 677 Cb 0.04 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1dqa h GLU 677 CO 0.00 0.00 0.63 1.41 -1.40 0.00 0.00 179.01 179.65 1dqa s MET 678 N -3.19 4.41 -0.19 2.33 1.75 -0.38 -4.51 119.30 119.52 1dqa s MET 678 Ca 0.08 1.99 -0.03 0.00 -1.25 0.00 0.00 55.69 56.48 1dqa s MET 678 Cb 0.11 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.54 1dqa s MET 678 CO 0.54 -0.24 -0.06 -1.14 -0.65 0.00 0.00 175.02 173.46 1dqa s GLN 679 N 0.16 3.44 -0.26 4.11 0.74 0.57 -4.96 119.66 123.46 1dqa s GLN 679 Ca 0.57 -0.62 -0.25 0.00 0.05 0.00 0.00 55.36 55.12 1dqa s GLN 679 Cb -0.35 -2.90 -0.00 0.00 1.10 0.00 0.00 33.01 30.86 1dqa s GLN 679 CO 0.36 -0.02 0.84 0.42 -0.55 0.00 0.00 175.29 176.34 1dqa s ILE 680 N 1.00 4.81 -0.10 -2.34 1.01 -1.26 -0.11 121.20 124.21 1dqa s ILE 680 Ca -0.00 1.52 -0.10 0.00 0.00 0.00 0.00 60.65 62.07 1dqa s ILE 680 Cb -0.15 -4.14 -0.28 0.00 0.01 0.00 0.00 42.46 37.90 1dqa s ILE 680 CO 0.00 -0.13 0.48 0.25 0.00 0.00 0.00 174.94 175.55 1dqa h LEU 681 N 9.29 0.48 -7.00 2.97 5.85 -1.65 -3.49 115.31 121.76 1dqa h LEU 681 Ca -0.23 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.56 1dqa h LEU 681 Cb 1.09 -0.15 -0.23 0.00 0.37 0.00 0.00 40.66 41.74 1dqa h LEU 681 CO 0.89 1.81 0.25 0.00 -0.34 0.00 0.00 178.44 181.04 1dqa s ALA 682 N -2.55 -1.87 0.46 1.25 0.00 -1.07 -5.02 121.76 112.96 1dqa s ALA 682 Ca -0.20 2.01 0.23 0.00 0.00 0.00 0.00 51.96 53.99 1dqa s ALA 682 Cb 0.06 -1.30 1.35 0.00 0.00 0.00 0.00 23.12 23.23 1dqa s ALA 682 CO 0.79 -0.31 2.08 -0.24 0.00 0.00 0.00 175.76 178.09 1dqa h VAL 683 N 3.95 0.77 -3.43 0.00 3.04 -1.93 -2.20 116.25 116.46 1dqa h VAL 683 Ca -0.29 -0.46 -0.64 0.00 -1.01 0.00 0.00 66.70 64.30 1dqa h VAL 683 Cb 1.17 1.27 -0.36 0.00 -2.01 0.00 0.00 31.29 31.36 1dqa h VAL 683 CO 0.08 0.12 -0.82 -0.55 -1.01 0.00 0.00 177.57 175.38 1dqa s SER 684 N -6.49 3.55 -0.25 3.17 0.15 -1.26 -2.87 113.70 109.71 1dqa s SER 684 Ca -0.04 -0.93 0.13 0.00 0.70 0.00 0.00 55.95 55.81 1dqa s SER 684 Cb 0.15 -1.37 0.65 0.00 -1.71 0.00 0.00 66.02 63.73 1dqa s SER 684 CO 0.62 -0.11 1.60 0.61 1.20 0.00 0.00 173.24 177.16 1dqa n GLY 685 N 4.61 3.84 2.43 9.45 0.00 0.44 -4.74 105.19 121.22 1dqa n GLY 685 Ca -0.16 -1.03 -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 -0.27 -4.52 -1.14 1.61 4.13 -1.24 -4.81 115.26 109.01 1dqa n ASN 686 Ca 0.30 0.17 0.11 0.00 1.68 0.00 0.00 54.58 56.83 1dqa n ASN 686 Cb 1.11 -2.61 0.28 0.00 -1.54 0.00 0.00 39.78 37.02 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 -2.57 0.75 0.36 3.10 9.36 -1.15 -4.60 117.16 122.41 1dqa n TYR 687 Ca -0.07 -0.38 -0.15 0.00 3.32 0.00 0.00 57.90 60.63 1dqa n TYR 687 Cb 0.34 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.98 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 -4.65 3.69 -0.26 0.00 2.01 -1.26 -4.69 115.64 110.48 1dqa s THR 689 Ca -0.14 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1dqa s THR 689 Cb 0.01 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1dqa s THR 689 CO 0.42 0.53 0.21 -0.62 -0.69 0.00 0.00 174.62 174.47 1dqa s ASP 690 N 0.03 6.12 -1.89 3.53 2.15 -1.26 -4.59 116.67 120.76 1dqa s ASP 690 Ca -0.01 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1dqa s ASP 690 Cb -0.14 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1dqa s ASP 690 CO 0.03 -0.02 0.00 0.29 -0.17 0.00 0.00 175.17 175.30 1dqa n LYS 691 N 4.74 -1.36 -4.11 4.34 5.02 -1.26 -4.99 118.16 120.54 1dqa n LYS 691 Ca -0.13 1.10 -0.14 0.00 -2.02 0.00 0.00 58.31 57.11 1dqa n LYS 691 Cb 0.52 -5.46 -0.13 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.94 0.47 0.39 1.97 3.01 -1.26 -4.95 119.74 115.44 1dqa s LYS 692 Ca 0.00 -0.47 -0.27 0.00 -1.01 0.00 0.00 55.97 54.22 1dqa s LYS 692 Cb 0.00 -0.35 -0.09 0.00 -1.01 0.00 0.00 37.83 36.38 1dqa s LYS 692 CO 0.00 0.08 1.38 -1.25 0.51 0.00 0.00 175.35 176.07 1dqa s PRO 693 N -0.86 4.01 -0.28 -1.68 0.04 -1.26 -4.76 135.00 130.22 1dqa s PRO 693 Ca -0.04 2.34 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 1dqa s PRO 693 Cb -0.06 -2.85 0.09 0.00 0.04 0.00 0.00 34.50 31.72 1dqa s PRO 693 CO 0.00 -0.52 0.74 0.00 0.04 0.00 0.00 177.00 177.26 1dqa s ALA 694 N -1.19 -1.95 0.56 8.56 0.00 -1.26 -5.02 121.76 121.46 1dqa s ALA 694 Ca 0.55 2.39 0.24 0.00 0.00 0.00 0.00 51.96 55.14 1dqa s ALA 694 Cb -0.42 -1.48 1.57 0.00 0.00 0.00 0.00 23.12 22.79 1dqa s ALA 694 CO 0.55 -0.38 2.20 0.00 0.00 0.00 0.00 175.76 178.14 1dqa h ALA 695 N 6.84 1.72 -0.35 0.00 0.00 -1.94 -1.95 119.26 123.58 1dqa h ALA 695 Ca -0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1dqa h ALA 695 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1dqa h ALA 695 CO 0.17 0.01 0.14 0.97 0.00 0.00 0.00 179.25 180.53 1dqa h ILE 696 N 0.00 1.14 -0.20 0.00 2.10 -1.98 -0.47 117.51 118.10 1dqa h ILE 696 Ca -0.00 -0.44 -0.19 0.00 1.08 0.00 0.00 64.86 65.31 1dqa h ILE 696 Cb 0.01 0.73 0.01 0.00 -1.09 0.00 0.00 36.82 36.48 1dqa h ILE 696 CO 0.00 0.17 -0.61 0.78 -1.08 0.00 0.00 178.15 177.41 1dqa h ASN 697 N 0.49 0.89 -0.46 2.19 2.35 -1.63 0.07 115.58 119.48 1dqa h ASN 697 Ca 0.12 -0.59 -0.02 0.00 -0.55 0.00 0.00 56.30 55.26 1dqa h ASN 697 Cb 0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1dqa h ASN 697 CO -0.01 1.32 0.20 -0.25 -1.65 0.00 0.00 177.43 177.03 1dqa h TRP 698 N 0.50 0.69 0.15 1.19 2.91 -1.42 0.84 115.95 120.81 1dqa h TRP 698 Ca -0.02 -0.05 -0.24 0.00 1.13 0.00 0.00 58.89 59.71 1dqa h TRP 698 Cb 1.23 -0.21 0.02 0.00 -0.51 0.00 0.00 29.16 29.69 1dqa h TRP 698 CO 0.09 0.57 -1.12 0.82 -1.03 0.00 0.00 178.44 177.77 1dqa h ILE 699 N 0.60 1.31 0.00 2.65 2.04 -1.08 -3.38 117.51 119.65 1dqa h ILE 699 Ca 0.15 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1dqa h ILE 699 Cb 0.17 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1dqa h ILE 699 CO -0.01 0.73 -1.37 -0.62 0.00 0.00 0.00 178.15 176.87 1dqa n GLU 700 N -3.99 0.41 0.00 2.37 1.02 0.01 -5.09 120.64 115.36 1dqa n GLU 700 Ca -0.18 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1dqa n GLU 700 Cb 0.89 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1dqa n GLU 700 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dqa n GLY 701 N 1.33 -0.87 3.49 0.62 0.00 0.29 -5.03 105.19 105.03 1dqa n GLY 701 Ca -0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.12 0.57 6.76 1.61 3.52 -1.09 -4.69 118.95 122.50 1dqa s ARG 702 Ca 0.00 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1dqa s ARG 702 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1dqa s ARG 702 CO 0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1dqa n GLY 703 N 4.40 1.46 3.76 8.12 0.00 0.08 -3.14 105.19 119.87 1dqa n GLY 703 Ca -0.20 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 3.95 -0.20 1.61 1.02 0.14 -0.55 119.74 125.71 1dqa s LYS 704 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 55.97 55.70 1dqa s LYS 704 Cb 0.00 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1dqa s LYS 704 CO 0.00 0.43 0.07 -1.12 -0.92 0.00 0.00 175.35 173.81 1dqa s SER 705 N -0.02 5.57 0.06 2.83 0.01 -0.33 -1.21 113.70 120.61 1dqa s SER 705 Ca 0.09 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.39 1dqa s SER 705 Cb -0.11 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1dqa s SER 705 CO -0.00 0.13 -0.05 -0.69 0.41 0.00 0.00 173.24 173.03 1dqa s VAL 706 N 0.66 0.42 0.00 3.43 1.01 0.51 0.32 120.40 126.75 1dqa s VAL 706 Ca 0.04 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.52 1dqa s VAL 706 Cb -0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1dqa s VAL 706 CO 0.02 -0.72 -0.03 0.54 0.00 0.00 0.00 175.10 174.91 1dqa s VAL 707 N -2.76 0.18 0.03 2.92 0.11 -0.72 -0.46 120.40 119.71 1dqa s VAL 707 Ca 0.00 -0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1dqa s VAL 707 Cb -0.01 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1dqa s VAL 707 CO -0.04 -0.04 -0.00 0.00 -3.33 0.00 0.00 175.10 171.68 1dqa s GLU 709 N -2.59 1.15 0.05 0.00 -1.05 -0.06 -1.34 118.70 114.86 1dqa s GLU 709 Ca -0.05 -0.87 -0.27 0.00 -0.15 0.00 0.00 54.97 53.63 1dqa s GLU 709 Cb -0.02 0.45 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 1dqa s GLU 709 CO -0.05 -0.45 0.78 0.00 0.95 0.00 0.00 175.26 176.49 1dqa s ALA 710 N -3.86 -1.74 -0.14 -0.84 0.00 -0.66 -1.49 121.76 113.03 1dqa s ALA 710 Ca 0.08 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1dqa s ALA 710 Cb 0.02 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1dqa s ALA 710 CO -0.07 -0.71 -0.20 0.08 0.00 0.00 0.00 175.76 174.86 1dqa s VAL 711 N -3.30 1.95 -0.29 0.00 1.01 -1.26 -1.19 120.40 117.33 1dqa s VAL 711 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1dqa s VAL 711 Cb -0.01 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1dqa s VAL 711 CO -0.10 0.53 0.13 -0.63 0.00 0.00 0.00 175.10 175.02 1dqa s ILE 712 N 0.92 4.57 0.46 2.22 -1.09 0.13 -4.69 121.20 123.71 1dqa s ILE 712 Ca -0.05 -0.28 -0.24 0.00 -2.23 0.00 0.00 60.65 57.85 1dqa s ILE 712 Cb -0.15 -3.25 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1dqa s ILE 712 CO -0.04 0.18 1.26 -2.65 -1.23 0.00 0.00 174.94 172.46 1dqa n PRO 713 N 4.97 1.80 -0.30 2.79 -0.02 -1.26 -0.56 135.00 142.42 1dqa n PRO 713 Ca -0.15 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1dqa n PRO 713 Cb 0.50 -2.39 0.28 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.84 1.36 -0.72 3.55 0.00 -1.93 -0.71 119.26 122.66 1dqa h ALA 714 Ca -0.48 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1dqa h ALA 714 Cb 1.30 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1dqa h ALA 714 CO 0.59 -0.30 0.41 -0.22 0.00 0.00 0.00 179.25 179.72 1dqa h LYS 715 N 0.42 0.98 -0.13 0.00 3.64 -1.90 -1.17 116.57 118.41 1dqa h LYS 715 Ca 0.53 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.73 1dqa h LYS 715 Cb 0.96 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1dqa h LYS 715 CO -0.50 0.71 -0.22 0.28 -2.27 0.00 0.00 179.45 177.44 1dqa h VAL 716 N 0.99 1.37 -0.81 2.00 2.07 -1.52 0.57 116.25 120.91 1dqa h VAL 716 Ca 0.25 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.40 1dqa h VAL 716 Cb -0.00 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1dqa h VAL 716 CO -0.04 0.43 0.53 0.58 0.02 0.00 0.00 177.57 179.09 1dqa h VAL 717 N -0.02 0.94 -0.00 2.57 2.07 -1.04 0.37 116.25 121.14 1dqa h VAL 717 Ca 0.01 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1dqa h VAL 717 Cb 0.80 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1dqa h VAL 717 CO 0.05 0.14 -0.04 -0.09 0.02 0.00 0.00 177.57 177.65 1dqa h ARG 718 N 0.74 0.03 0.18 1.57 2.43 -1.06 -1.63 114.38 116.64 1dqa h ARG 718 Ca 0.38 -0.03 -0.34 0.00 -0.81 0.00 0.00 59.98 59.18 1dqa h ARG 718 Cb 0.46 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1dqa h ARG 718 CO -0.15 0.77 -1.64 0.93 -1.51 0.00 0.00 179.97 178.37 1dqa h GLU 719 N -0.70 0.39 0.02 0.20 5.08 -0.59 -2.69 114.58 116.29 1dqa h GLU 719 Ca -0.00 -0.66 -0.18 0.00 -1.00 0.00 0.00 59.36 57.52 1dqa h GLU 719 Cb 0.78 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1dqa h GLU 719 CO 0.01 1.29 -0.94 0.28 -1.00 0.00 0.00 179.01 178.65 1dqa h VAL 720 N 0.11 1.18 0.00 3.13 2.07 -0.46 -3.39 116.25 118.88 1dqa h VAL 720 Ca -0.30 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1dqa h VAL 720 Cb 2.09 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 34.50 1dqa h VAL 720 CO 0.19 0.47 -0.34 0.18 0.02 0.00 0.00 177.57 178.09 1dqa n LEU 721 N -4.39 0.49 -3.05 2.57 4.77 -1.01 -4.96 117.00 111.42 1dqa n LEU 721 Ca -0.25 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1dqa n LEU 721 Cb 0.67 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1dqa n LEU 721 CO 0.27 -0.01 0.11 0.29 -1.33 0.00 0.00 177.39 176.73 1dqa n LYS 722 N -1.80 -5.90 -0.22 3.23 4.76 -0.66 -4.66 118.16 112.92 1dqa n LYS 722 Ca 0.05 0.80 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1dqa n LYS 722 Cb 0.38 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 28.01 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 -4.61 0.00 -4.30 -0.18 5.66 -0.95 -4.79 114.28 105.11 1dqa n THR 723 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.77 1dqa n THR 723 Cb 0.58 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.60 1.59 0.19 1.09 -4.23 -1.26 -3.37 115.64 107.05 1dqa s THR 724 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1dqa s THR 724 Cb 0.00 -1.84 0.12 0.00 1.34 0.00 0.00 72.50 72.12 1dqa s THR 724 CO 0.00 -0.50 1.83 0.74 -0.54 0.00 0.00 174.62 176.15 1dqa h THR 725 N 3.00 1.20 -0.52 3.99 2.02 -1.92 -1.94 112.91 118.73 1dqa h THR 725 Ca -0.39 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.37 1dqa h THR 725 Cb 1.21 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1dqa h THR 725 CO 0.57 0.21 0.30 -0.08 0.37 0.00 0.00 175.52 176.88 1dqa h GLU 726 N 0.92 0.56 -0.52 6.66 4.81 -1.91 -0.81 114.58 124.30 1dqa h GLU 726 Ca 0.24 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1dqa h GLU 726 Cb -0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1dqa h GLU 726 CO -0.04 0.37 0.21 0.00 -0.73 0.00 0.00 179.01 178.82 1dqa h ALA 727 N 1.25 0.67 -0.75 2.92 0.00 -1.90 -1.46 119.26 119.99 1dqa h ALA 727 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dqa h ALA 727 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dqa h ALA 727 CO -0.12 0.28 0.31 0.52 0.00 0.00 0.00 179.25 180.24 1dqa h MET 728 N 0.70 1.11 -0.35 0.00 2.86 -0.95 -1.68 114.93 116.62 1dqa h MET 728 Ca 0.17 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1dqa h MET 728 Cb 0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1dqa h MET 728 CO -0.01 0.90 -0.14 0.82 1.06 0.00 0.00 176.91 179.54 1dqa h ILE 729 N 1.09 1.28 -0.80 -1.22 2.04 -0.91 0.64 117.51 119.63 1dqa h ILE 729 Ca 0.25 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1dqa h ILE 729 Cb 0.20 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1dqa h ILE 729 CO -0.02 0.40 0.39 -0.33 0.00 0.00 0.00 178.15 178.59 1dqa h GLU 730 N 0.49 1.15 -0.32 2.37 4.39 -1.05 -0.88 114.58 120.72 1dqa h GLU 730 Ca 0.08 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1dqa h GLU 730 Cb 0.66 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1dqa h GLU 730 CO 0.04 0.88 -0.11 0.28 -1.16 0.00 0.00 179.01 178.95 1dqa h VAL 731 N 1.13 1.28 -0.35 3.13 2.07 -1.17 -2.23 116.25 120.12 1dqa h VAL 731 Ca 0.28 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1dqa h VAL 731 Cb 0.11 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1dqa h VAL 731 CO -0.04 0.38 0.21 -1.13 0.02 0.00 0.00 177.57 177.02 1dqa h ASN 732 N 0.41 0.42 -0.20 0.57 -1.24 -0.44 0.93 115.58 116.03 1dqa h ASN 732 Ca 0.08 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1dqa h ASN 732 Cb 0.62 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 1dqa h ASN 732 CO 0.04 0.35 0.06 0.40 -1.29 0.00 0.00 177.43 176.98 1dqa h ILE 733 N 0.46 1.19 0.00 2.57 2.04 -1.19 -1.03 117.51 121.55 1dqa h ILE 733 Ca 0.13 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1dqa h ILE 733 Cb 0.00 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1dqa h ILE 733 CO -0.02 0.19 0.00 0.78 0.00 0.00 0.00 178.15 179.10 1dqa h ASN 734 N 0.14 0.00 0.00 1.72 2.35 -1.24 -0.39 115.58 118.15 1dqa h ASN 734 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1dqa h ASN 734 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1dqa h ASN 734 CO -0.00 0.00 -0.92 1.17 -1.65 0.00 0.00 177.43 176.03 1dqa n LYS 735 N -2.80 0.49 0.20 0.81 4.81 0.31 -1.60 118.16 120.38 1dqa n LYS 735 Ca 0.04 0.19 0.07 0.00 -0.87 0.00 0.00 58.31 57.75 1dqa n LYS 735 Cb 0.45 -1.36 0.36 0.00 0.02 0.00 0.00 35.03 34.51 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 -0.92 0.00 0.00 3.14 2.35 -1.32 -1.99 115.58 116.84 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 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1dqa h ASN 736 CO 0.00 0.31 -0.08 0.18 -1.65 0.00 0.00 177.43 176.19 1dqa n LEU 737 N -3.44 0.18 -0.17 1.61 4.77 -1.08 -4.24 117.00 114.63 1dqa n LEU 737 Ca 0.00 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1dqa n LEU 737 Cb 0.49 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1dqa n LEU 737 CO 0.35 -0.49 0.98 0.58 -1.33 0.00 0.00 177.39 177.49 1dqa h VAL 738 N -0.08 1.19 -0.29 4.08 2.07 -1.23 -1.55 116.25 120.44 1dqa h VAL 738 Ca 0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1dqa h VAL 738 Cb 0.08 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1dqa h VAL 738 CO 0.00 0.22 0.18 1.23 0.02 0.00 0.00 177.57 179.22 1dqa h GLY 739 N 0.65 0.42 1.50 2.17 0.00 -0.84 0.28 103.07 107.26 1dqa h GLY 739 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1dqa h GLY 739 CO -0.02 0.17 -0.06 1.76 0.00 0.00 0.00 176.54 178.38 1dqa h SER 740 N 0.38 0.59 -0.65 0.19 0.02 -1.31 -1.72 113.55 111.05 1dqa h SER 740 Ca 0.11 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1dqa h SER 740 Cb -0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1dqa h SER 740 CO -0.02 0.70 0.06 0.00 -1.14 0.00 0.00 176.83 176.43 1dqa h ALA 741 N 1.37 0.86 -0.05 3.77 0.00 -0.84 -1.60 119.26 122.78 1dqa h ALA 741 Ca 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1dqa h ALA 741 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dqa h ALA 741 CO 0.02 0.67 -0.30 0.52 0.00 0.00 0.00 179.25 180.16 1dqa h MET 742 N 1.02 0.08 -0.00 0.00 2.86 -0.35 -2.27 114.93 116.27 1dqa h MET 742 Ca 0.19 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1dqa h MET 742 Cb 0.50 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1dqa h MET 742 CO 0.02 0.38 -0.04 0.00 1.06 0.00 0.00 176.91 178.33 1dqa n ALA 743 N -2.48 2.62 -2.91 6.32 0.00 -0.70 -4.93 120.51 118.42 1dqa n ALA 743 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1dqa n ALA 743 Cb 0.36 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.42 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 1.24 0.11 3.82 0.00 0.00 -0.85 -5.02 105.19 104.49 1dqa n GLY 744 Ca 0.16 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.41 7.04 -0.29 1.61 0.15 -0.64 -5.04 113.70 113.12 1dqa s SER 745 Ca 0.16 1.35 0.03 0.00 0.70 0.00 0.00 55.95 58.20 1dqa s SER 745 Cb -0.07 -2.39 0.08 0.00 -1.71 0.00 0.00 66.02 61.92 1dqa s SER 745 CO 0.37 0.09 -0.04 -0.63 1.20 0.00 0.00 173.24 174.23 1dqa s ILE 746 N -1.43 2.15 0.00 6.45 -1.09 -1.26 -4.70 121.20 121.31 1dqa s ILE 746 Ca 0.40 -1.88 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1dqa s ILE 746 Cb -0.17 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1dqa s ILE 746 CO 0.21 -0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 1dqa n GLY 747 N 4.38 0.99 2.82 6.18 0.00 -1.26 -4.93 105.19 113.37 1dqa n GLY 747 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 5.67 2.57 -0.02 0.00 -1.26 -1.94 105.19 108.22 1dqa n GLY 748 Ca 0.00 -2.54 -0.40 0.00 0.00 0.00 0.00 46.02 43.08 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 -0.46 2.64 -3.90 1.61 4.02 -0.90 -4.81 117.16 115.35 1dqa n TYR 749 Ca 0.50 -2.63 -0.08 0.00 -0.01 0.00 0.00 57.90 55.68 1dqa n TYR 749 Cb 0.30 -1.49 -0.04 0.00 -0.02 0.00 0.00 39.34 38.10 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 -0.47 -0.20 -0.13 7.72 2.20 -1.23 -0.83 114.94 121.99 1dqa s ASN 750 Ca 0.47 -0.71 -0.12 0.00 -0.94 0.00 0.00 52.86 51.56 1dqa s ASN 750 Cb 0.21 0.65 -0.10 0.00 -2.00 0.00 0.00 41.25 40.02 1dqa s ASN 750 CO -0.13 -1.22 0.19 0.00 -2.94 0.00 0.00 177.10 172.99 1dqa h ALA 751 N 2.13 0.03 -0.20 3.54 0.00 -1.94 -3.46 119.26 119.37 1dqa h ALA 751 Ca -0.23 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 1dqa h ALA 751 Cb 1.25 0.20 -0.22 0.00 0.00 0.00 0.00 17.79 19.02 1dqa h ALA 751 CO 0.30 0.19 -0.55 -2.39 0.00 0.00 0.00 179.25 176.80 1dqa n HIS 752 N -4.66 -1.25 -0.32 0.00 1.44 -1.26 -4.95 115.22 104.21 1dqa n HIS 752 Ca -0.08 -1.98 0.13 0.00 -2.01 0.00 0.00 57.72 53.77 1dqa n HIS 752 Cb 0.26 1.04 0.35 0.00 0.12 0.00 0.00 29.99 31.76 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 1.82 1.76 -0.75 1.59 0.00 -1.88 -1.35 119.26 120.46 1dqa h ALA 753 Ca -0.30 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1dqa h ALA 753 Cb 1.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1dqa h ALA 753 CO -0.01 -0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.66 1dqa h ALA 754 N 1.61 1.79 0.02 0.00 0.00 -1.93 -0.54 119.26 120.21 1dqa h ALA 754 Ca 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1dqa h ALA 754 Cb 0.84 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1dqa h ALA 754 CO -0.29 0.06 -0.01 -0.91 0.00 0.00 0.00 179.25 178.10 1dqa h ASN 755 N 0.68 -0.02 -0.08 0.00 2.35 -1.65 -0.05 115.58 116.81 1dqa h ASN 755 Ca 0.34 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1dqa h ASN 755 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1dqa h ASN 755 CO -0.12 0.05 0.01 0.40 -1.65 0.00 0.00 177.43 176.12 1dqa h ILE 756 N -0.09 1.22 -0.50 2.81 5.03 -1.47 -2.19 117.51 122.33 1dqa h ILE 756 Ca -0.00 -0.70 0.06 0.00 -0.12 0.00 0.00 64.86 64.10 1dqa h ILE 756 Cb 0.08 1.53 -0.06 0.00 -3.03 0.00 0.00 36.82 35.35 1dqa h ILE 756 CO 0.00 0.20 0.19 0.58 -0.68 0.00 0.00 178.15 178.44 1dqa h VAL 757 N -0.11 0.85 -0.24 1.67 2.07 -1.10 -1.73 116.25 117.65 1dqa h VAL 757 Ca 0.02 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1dqa h VAL 757 Cb 0.30 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1dqa h VAL 757 CO 0.00 0.07 0.12 0.74 0.02 0.00 0.00 177.57 178.52 1dqa h THR 758 N 0.37 1.14 -0.60 2.57 2.02 -0.95 0.08 112.91 117.54 1dqa h THR 758 Ca 0.24 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1dqa h THR 758 Cb 0.24 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1dqa h THR 758 CO -0.23 0.14 0.32 0.00 0.37 0.00 0.00 175.52 176.12 1dqa h ALA 759 N 0.98 0.77 -0.38 6.16 0.00 -1.12 -0.70 119.26 124.96 1dqa h ALA 759 Ca 0.08 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1dqa h ALA 759 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dqa h ALA 759 CO -0.01 0.30 -0.33 0.82 0.00 0.00 0.00 179.25 180.03 1dqa h ILE 760 N 0.82 1.28 -0.45 0.00 2.04 -1.18 -1.61 117.51 118.40 1dqa h ILE 760 Ca 0.21 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1dqa h ILE 760 Cb 0.06 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1dqa h ILE 760 CO -0.03 0.50 0.28 1.88 0.00 0.00 0.00 178.15 180.78 1dqa h TYR 761 N 0.72 0.59 -0.64 1.37 -1.99 -0.70 0.94 116.97 117.26 1dqa h TYR 761 Ca 0.07 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 1dqa h TYR 761 Cb 0.92 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 1dqa h TYR 761 CO 0.06 0.41 0.05 0.82 -0.00 0.00 0.00 178.16 179.51 1dqa h ILE 762 N 0.60 1.27 -0.12 -2.88 2.04 -1.09 -1.14 117.51 116.18 1dqa h ILE 762 Ca 0.16 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1dqa h ILE 762 Cb -0.01 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1dqa h ILE 762 CO -0.03 0.41 -0.33 0.00 0.00 0.00 0.00 178.15 178.20 1dqa h ALA 763 N 1.02 1.22 -0.40 1.87 0.00 -0.87 -3.27 119.26 118.83 1dqa h ALA 763 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1dqa h ALA 763 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dqa h ALA 763 CO 0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1dqa n GLY 765 N 0.05 0.86 3.95 0.00 0.00 -1.05 -4.60 105.19 104.40 1dqa n GLY 765 Ca 0.23 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.08 0.62 -0.56 1.61 -1.52 -0.46 -2.79 119.66 113.48 1dqa s GLN 766 Ca 0.00 -0.60 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1dqa s GLN 766 Cb 0.00 -1.91 0.10 0.00 -0.22 0.00 0.00 33.01 30.98 1dqa s GLN 766 CO 0.00 -2.38 0.65 0.34 -0.25 0.00 0.00 175.29 173.65 1dqa s ASP 767 N -4.91 6.19 0.55 5.90 -1.08 -1.26 -4.77 116.67 117.29 1dqa s ASP 767 Ca 0.74 -1.36 0.23 0.00 -0.52 0.00 0.00 52.55 51.64 1dqa s ASP 767 Cb -0.03 -2.28 1.51 0.00 -1.46 0.00 0.00 42.92 40.66 1dqa s ASP 767 CO 0.52 -1.01 2.16 0.00 0.52 0.00 0.00 175.17 177.35 1dqa h ALA 768 N 9.09 1.89 0.00 3.66 0.00 -1.94 0.13 119.26 132.09 1dqa h ALA 768 Ca -0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1dqa h ALA 768 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dqa h ALA 768 CO 1.05 -0.12 -0.06 0.00 0.00 0.00 0.00 179.25 180.12 1dqa h ALA 769 N 1.93 1.12 0.00 0.00 0.00 -2.01 -2.07 119.26 118.24 1dqa h ALA 769 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dqa h ALA 769 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dqa h ALA 769 CO -0.00 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1dqa n GLN 770 N -3.34 0.85 0.29 0.00 6.02 0.04 -3.14 117.38 118.09 1dqa n GLN 770 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.12 1dqa n GLN 770 Cb 0.23 -1.38 0.86 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.07 1.08 -1.24 -1.52 0.13 115.58 113.96 1dqa h ASN 771 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1dqa h ASN 771 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1dqa h ASN 771 CO 0.00 0.04 -0.37 0.58 -1.29 0.00 0.00 177.43 176.39 1dqa h VAL 772 N 0.00 0.21 0.00 2.57 2.07 -1.79 -2.33 116.25 116.98 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 0.13 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1dqa h VAL 772 CO 0.01 0.00 -1.88 0.61 0.02 0.00 0.00 177.57 176.33 1dqa n GLY 773 N -1.43 -1.07 0.26 2.17 0.00 -1.08 -4.30 105.19 99.74 1dqa n GLY 773 Ca -0.04 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.47 1.61 0.02 -0.73 -2.31 113.55 112.61 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 1.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1dqa h SER 774 CO 0.04 0.12 -0.01 -1.20 -1.14 0.00 0.00 176.83 174.64 1dqa n SER 775 N -3.57 0.04 -4.64 3.07 7.64 -0.88 -4.47 113.62 110.81 1dqa n SER 775 Ca -0.02 -0.30 -0.49 0.00 1.01 0.00 0.00 58.87 59.07 1dqa n SER 775 Cb 0.25 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.22 2.55 -3.64 6.43 3.02 -0.87 -4.56 115.26 116.98 1dqa n ASN 776 Ca 0.16 1.08 -0.09 0.00 -0.03 0.00 0.00 54.58 55.70 1dqa n ASN 776 Cb 0.23 -1.32 -0.07 0.00 -0.61 0.00 0.00 39.78 38.01 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 0.51 2.60 -0.25 0.00 2.07 -0.76 -2.13 121.20 123.24 1dqa s ILE 778 Ca -0.00 -0.76 -0.09 0.00 -1.41 0.00 0.00 60.65 58.39 1dqa s ILE 778 Cb -0.05 -2.13 -0.04 0.00 0.13 0.00 0.00 42.46 40.37 1dqa s ILE 778 CO -0.06 0.49 0.12 -0.89 -1.91 0.00 0.00 174.94 172.69 1dqa s THR 779 N 1.35 4.88 0.06 4.00 2.01 -0.01 -1.71 115.64 126.23 1dqa s THR 779 Ca 0.05 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1dqa s THR 779 Cb -0.14 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1dqa s THR 779 CO -0.09 0.33 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.16 1dqa s LEU 780 N 1.40 2.25 0.01 4.42 1.43 0.25 -4.88 118.68 123.56 1dqa s LEU 780 Ca 0.06 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1dqa s LEU 780 Cb -0.15 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1dqa s LEU 780 CO 0.06 0.25 -0.06 -0.04 0.23 0.00 0.00 176.35 176.78 1dqa s MET 781 N -1.37 0.49 -0.04 1.70 -1.94 -1.26 -1.14 119.30 115.73 1dqa s MET 781 Ca 0.12 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.64 1dqa s MET 781 Cb -0.10 -0.43 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1dqa s MET 781 CO 0.03 0.11 0.29 -2.00 -0.01 0.00 0.00 175.02 173.44 1dqa s GLU 782 N -0.46 0.56 0.34 2.03 2.12 -0.10 -4.94 118.70 118.25 1dqa s GLU 782 Ca -0.00 -0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 1dqa s GLU 782 Cb -0.04 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.51 1dqa s GLU 782 CO -0.00 -0.13 1.17 0.00 -0.54 0.00 0.00 175.26 175.75 1dqa s ALA 783 N -0.87 3.33 0.22 6.30 0.00 -1.26 -1.03 121.76 128.45 1dqa s ALA 783 Ca -0.10 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1dqa s ALA 783 Cb -0.05 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1dqa s ALA 783 CO 0.03 -0.39 0.22 0.45 0.00 0.00 0.00 175.76 176.08 1dqa s SER 784 N -0.91 0.14 0.00 0.00 0.15 0.73 -4.82 113.70 108.99 1dqa s SER 784 Ca 0.50 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1dqa s SER 784 Cb -0.33 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1dqa s SER 784 CO 0.42 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1dqa n GLY 785 N -0.31 -0.34 0.29 9.45 0.00 -1.26 -1.34 105.19 111.68 1dqa n GLY 785 Ca 0.01 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 0.63 -0.08 1.61 0.11 -2.01 -2.82 132.00 129.45 1dqa h PRO 786 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1dqa h PRO 786 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1dqa h PRO 786 CO 0.00 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 178.46 1dqa n THR 787 N -4.84 1.87 -3.01 -1.15 -2.24 -1.26 -4.97 114.28 98.67 1dqa n THR 787 Ca 0.14 -2.01 -0.21 0.00 -2.27 0.00 0.00 64.05 59.70 1dqa n THR 787 Cb 0.34 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.06 -4.76 -0.46 3.42 3.02 -1.06 -4.86 115.26 109.50 1dqa n ASN 788 Ca 0.16 -0.22 0.06 0.00 -0.03 0.00 0.00 54.58 54.55 1dqa n ASN 788 Cb 0.66 -3.91 0.04 0.00 -0.61 0.00 0.00 39.78 35.96 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 -3.63 1.12 -3.70 3.52 1.02 -1.02 -4.32 120.64 113.64 1dqa n GLU 789 Ca -0.09 -1.13 -0.31 0.00 -0.02 0.00 0.00 57.16 55.61 1dqa n GLU 789 Cb 0.59 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.23 6.46 -0.36 1.62 1.01 -0.45 -3.80 116.67 119.93 1dqa s ASP 790 Ca 0.14 0.53 -0.13 0.00 0.71 0.00 0.00 52.55 53.80 1dqa s ASP 790 Cb 0.11 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 1dqa s ASP 790 CO 0.20 0.06 0.26 -0.22 0.21 0.00 0.00 175.17 175.68 1dqa s LEU 791 N -2.70 4.70 -0.06 1.23 2.96 0.27 -0.19 118.68 124.90 1dqa s LEU 791 Ca 0.40 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.54 1dqa s LEU 791 Cb -0.12 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1dqa s LEU 791 CO 0.25 -0.31 0.51 -0.47 -1.32 0.00 0.00 176.35 175.02 1dqa s TYR 792 N 1.70 3.61 0.00 5.38 5.04 -0.19 0.20 117.35 133.09 1dqa s TYR 792 Ca 0.06 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.72 1dqa s TYR 792 Cb -0.18 -2.53 -0.01 0.00 0.35 0.00 0.00 41.96 39.60 1dqa s TYR 792 CO 0.10 0.31 -0.05 -1.50 -1.34 0.00 0.00 175.55 173.08 1dqa s ILE 793 N 0.05 0.38 0.01 3.14 2.07 -0.33 -0.92 121.20 125.59 1dqa s ILE 793 Ca 0.27 -0.36 -0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1dqa s ILE 793 Cb -0.16 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 1dqa s ILE 793 CO 0.13 0.00 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.21 1dqa s SER 794 N -0.39 0.13 -0.07 4.50 1.04 -0.29 -1.65 113.70 116.97 1dqa s SER 794 Ca -0.01 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1dqa s SER 794 Cb -0.03 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1dqa s SER 794 CO -0.00 -0.17 -0.09 0.00 0.98 0.00 0.00 173.24 173.96 1dqa s THR 796 N 0.92 2.05 -0.30 0.00 2.01 -0.69 -1.14 115.64 118.49 1dqa s THR 796 Ca -0.10 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1dqa s THR 796 Cb -0.15 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.58 1dqa s THR 796 CO 0.01 0.50 0.01 -0.04 -0.69 0.00 0.00 174.62 174.41 1dqa s MET 797 N 1.29 1.49 0.04 4.92 -1.94 0.40 -1.82 119.30 123.67 1dqa s MET 797 Ca 0.04 -1.46 0.28 0.00 -1.71 0.00 0.00 55.69 52.85 1dqa s MET 797 Cb -0.13 -2.81 1.13 0.00 2.01 0.00 0.00 34.83 35.03 1dqa s MET 797 CO -0.12 -0.82 1.88 -0.35 -0.01 0.00 0.00 175.02 175.60 1dqa n PRO 798 N 4.48 0.05 -3.03 2.03 -0.04 -1.26 -0.37 135.00 136.87 1dqa n PRO 798 Ca -0.03 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 1dqa n PRO 798 Cb 0.42 -1.56 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.65 0.91 -4.59 3.54 3.41 -1.23 -2.69 113.62 111.32 1dqa n SER 799 Ca 0.07 -2.93 -0.43 0.00 -0.26 0.00 0.00 58.87 55.31 1dqa n SER 799 Cb 0.36 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.55 4.45 -0.45 -1.33 1.01 -0.35 -3.36 121.20 118.62 1dqa s ILE 800 Ca 0.36 1.09 -0.18 0.00 0.00 0.00 0.00 60.65 61.92 1dqa s ILE 800 Cb 0.38 -4.44 0.03 0.00 0.01 0.00 0.00 42.46 38.45 1dqa s ILE 800 CO -0.05 -0.75 0.51 -1.61 0.00 0.00 0.00 174.94 173.04 1dqa s GLU 801 N 3.82 3.12 0.12 2.79 2.02 -1.26 -0.68 118.70 128.62 1dqa s GLU 801 Ca 0.41 -0.78 -0.13 0.00 0.02 0.00 0.00 54.97 54.49 1dqa s GLU 801 Cb -0.10 -4.01 0.02 0.00 0.10 0.00 0.00 34.13 30.14 1dqa s GLU 801 CO 0.24 -0.97 0.32 -1.50 0.02 0.00 0.00 175.26 173.36 1dqa s ILE 802 N 2.30 0.10 0.16 -1.63 2.07 -1.26 -4.85 121.20 118.09 1dqa s ILE 802 Ca 0.14 -0.89 -0.23 0.00 -1.41 0.00 0.00 60.65 58.25 1dqa s ILE 802 Cb -0.18 -1.32 0.06 0.00 0.13 0.00 0.00 42.46 41.16 1dqa s ILE 802 CO 0.13 -0.43 0.67 -0.83 -1.91 0.00 0.00 174.94 172.57 1dqa s GLY 803 N -2.85 -0.49 0.00 1.50 0.00 -1.26 -3.42 107.32 100.80 1dqa s GLY 803 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1dqa s GLY 803 CO -0.10 0.13 0.81 -1.30 0.00 0.00 0.00 173.10 172.63 1dqa n THR 804 N -0.38 0.64 -4.04 0.90 -2.24 0.13 -4.82 114.28 104.46 1dqa n THR 804 Ca -0.13 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 60.74 1dqa n THR 804 Cb 0.63 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.64 0.29 0.00 2.28 1.01 -1.20 -1.66 120.40 120.48 1dqa s VAL 805 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1dqa s VAL 805 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1dqa s VAL 805 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1dqa n GLY 806 N 2.53 -1.14 7.00 4.51 0.00 -1.26 -4.23 105.19 112.60 1dqa n GLY 806 Ca -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.11 2.84 0.21 -0.02 0.00 -1.26 -1.84 105.19 104.01 1dqa n GLY 807 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 1.04 -0.02 0.00 -1.85 -2.26 103.07 99.98 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 -2.58 0.03 0.68 4.70 -2.24 -0.77 -2.17 114.28 111.92 1dqa n THR 809 Ca -0.00 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1dqa n THR 809 Cb 0.15 -0.66 0.35 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.02 0.67 -4.83 3.42 3.02 -0.85 -4.59 115.26 111.08 1dqa n ASN 810 Ca 0.16 0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 54.73 1dqa n ASN 810 Cb 0.08 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 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 -4.18 4.37 0.13 3.41 1.43 -0.92 -5.00 118.68 117.93 1dqa s LEU 811 Ca 0.10 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 1dqa s LEU 811 Cb 0.14 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1dqa s LEU 811 CO 0.63 0.10 1.79 -0.07 0.23 0.00 0.00 176.35 179.03 1dqa h LEU 812 N 3.64 0.33 -0.60 1.79 3.38 -1.89 -0.80 115.31 121.16 1dqa h LEU 812 Ca -0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1dqa h LEU 812 Cb 1.20 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1dqa h LEU 812 CO 0.65 0.24 0.30 -0.65 0.09 0.00 0.00 178.44 179.07 1dqa h PRO 813 N 0.38 0.86 -0.04 1.13 0.11 -1.96 -1.63 132.00 130.85 1dqa h PRO 813 Ca 0.10 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1dqa h PRO 813 Cb -0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1dqa h PRO 813 CO -0.02 0.69 -0.25 -0.56 -0.21 0.00 0.00 178.00 177.65 1dqa h GLN 814 N 0.82 0.07 -0.02 1.05 -0.00 -1.75 -1.51 115.11 113.76 1dqa h GLN 814 Ca 0.21 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.77 1dqa h GLN 814 Cb 0.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.57 1dqa h GLN 814 CO -0.03 0.32 -0.28 1.96 -0.00 0.00 0.00 178.83 180.80 1dqa h GLN 815 N 0.07 0.03 -0.51 0.06 4.20 -0.59 -1.90 115.11 116.46 1dqa h GLN 815 Ca 0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1dqa h GLN 815 Cb 0.48 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1dqa h GLN 815 CO 0.03 0.31 0.11 0.00 -0.67 0.00 0.00 178.83 178.62 1dqa h ALA 816 N 1.69 0.68 -0.40 3.87 0.00 -0.34 0.18 119.26 124.94 1dqa h ALA 816 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1dqa h ALA 816 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1dqa h ALA 816 CO 0.04 0.39 -0.20 0.00 0.00 0.00 0.00 179.25 179.48 1dqa h LEU 818 N 0.68 0.94 -0.71 0.00 3.38 -0.90 -2.78 115.31 115.92 1dqa h LEU 818 Ca 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1dqa h LEU 818 Cb 0.70 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1dqa h LEU 818 CO 0.05 0.98 0.15 1.56 0.09 0.00 0.00 178.44 181.28 1dqa h GLN 819 N 0.90 1.14 -0.94 1.13 4.20 -0.39 -1.56 115.11 119.59 1dqa h GLN 819 Ca 0.17 -0.28 0.20 0.00 0.06 0.00 0.00 58.65 58.80 1dqa h GLN 819 Cb 0.48 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 1dqa h GLN 819 CO 0.02 1.01 0.61 1.98 -0.67 0.00 0.00 178.83 181.78 1dqa h MET 820 N 1.07 0.48 -0.01 1.46 4.05 -0.90 0.80 114.93 121.89 1dqa h MET 820 Ca 0.22 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1dqa h MET 820 Cb 0.40 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1dqa h MET 820 CO 0.01 0.32 -0.41 1.28 0.23 0.00 0.00 176.91 178.33 1dqa n LEU 821 N -4.57 0.93 -0.57 3.39 4.77 -0.72 -4.63 117.00 115.59 1dqa n LEU 821 Ca 0.21 -0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1dqa n LEU 821 Cb 0.68 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1dqa n LEU 821 CO 0.28 0.19 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 1dqa n GLY 822 N 1.41 0.52 0.18 -0.72 0.00 0.27 -4.93 105.19 101.93 1dqa n GLY 822 Ca 0.09 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.35 0.98 -2.02 1.61 0.24 -0.83 -5.01 118.33 109.94 1dqa n VAL 823 Ca -0.07 -1.14 -0.42 0.00 -2.04 0.00 0.00 64.34 60.68 1dqa n VAL 823 Cb 0.36 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 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 -1.40 4.27 2.53 7.34 -0.44 -1.21 -4.78 119.66 125.97 1dqa s GLN 824 Ca 0.14 2.28 0.00 0.00 -2.50 0.00 0.00 55.36 55.27 1dqa s GLN 824 Cb 0.12 -3.14 0.00 0.00 -1.64 0.00 0.00 33.01 28.35 1dqa s GLN 824 CO 0.01 -0.45 0.00 0.41 0.50 0.00 0.00 175.29 175.76 1dqa n GLY 825 N 2.66 -0.15 3.76 2.59 0.00 -0.66 -4.85 105.19 108.54 1dqa n GLY 825 Ca 0.09 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.57 3.34 -0.63 4.61 0.00 -1.26 -4.62 121.76 121.63 1dqa s ALA 826 Ca 0.00 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 1dqa s ALA 826 Cb 0.00 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1dqa s ALA 826 CO 0.00 -0.32 0.81 0.00 0.00 0.00 0.00 175.76 176.25 1dqa h LYS 828 N 9.30 -0.03 0.00 0.00 5.09 -1.98 -2.68 116.57 126.27 1dqa h LYS 828 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.46 1dqa h LYS 828 Cb 1.08 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.42 1dqa h LYS 828 CO 1.13 -0.02 0.00 0.38 -2.09 0.00 0.00 179.45 178.85 1dqa h ASP 829 N -0.03 0.00 -0.80 7.07 2.03 -2.05 -3.40 116.42 119.24 1dqa h ASP 829 Ca 0.14 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.43 1dqa h ASP 829 Cb 0.25 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.56 1dqa h ASP 829 CO -0.31 0.00 -0.36 0.21 -1.03 0.00 0.00 179.24 177.75 1dqa s ASN 830 N -4.74 -1.23 0.13 4.15 2.47 -1.08 -5.13 114.94 109.50 1dqa s ASN 830 Ca 0.03 -0.60 -0.35 0.00 0.42 0.00 0.00 52.86 52.35 1dqa s ASN 830 Cb 0.09 1.58 -0.16 0.00 -1.45 0.00 0.00 41.25 41.32 1dqa s ASN 830 CO 0.44 -0.14 1.40 -2.65 -3.72 0.00 0.00 177.10 172.43 1dqa n PRO 831 N 4.26 1.51 0.00 0.43 -0.02 -1.03 -1.58 135.00 138.57 1dqa n PRO 831 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1dqa n PRO 831 Cb 0.59 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.70 2.97 0.23 -1.23 0.00 -1.26 -4.82 105.19 103.78 1dqa n GLY 832 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 2.82 0.33 -0.43 1.61 4.57 -1.61 -1.08 114.58 120.79 1dqa h GLU 833 Ca 0.00 -0.10 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1dqa h GLU 833 Cb 0.00 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1dqa h GLU 833 CO 0.00 0.54 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.32 1dqa h ASN 834 N 0.30 0.88 -0.41 1.04 2.35 -1.88 -0.68 115.58 117.18 1dqa h ASN 834 Ca 0.05 -0.38 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 1dqa h ASN 834 Cb 0.55 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1dqa h ASN 834 CO 0.04 1.05 -0.06 0.00 -1.65 0.00 0.00 177.43 176.81 1dqa h ALA 835 N 0.85 0.56 -0.88 -0.83 0.00 -1.76 -0.90 119.26 116.29 1dqa h ALA 835 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1dqa h ALA 835 Cb 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1dqa h ALA 835 CO 0.05 0.39 0.51 0.00 0.00 0.00 0.00 179.25 180.21 1dqa h ARG 836 N 0.58 1.21 -0.48 0.00 3.08 -1.12 -0.65 114.38 117.00 1dqa h ARG 836 Ca 0.11 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1dqa h ARG 836 Cb 0.57 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1dqa h ARG 836 CO 0.03 0.87 -0.09 0.37 -1.07 0.00 0.00 179.97 180.08 1dqa h GLN 837 N 1.22 0.87 -0.53 0.04 5.75 -0.86 -1.25 115.11 120.35 1dqa h GLN 837 Ca 0.31 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1dqa h GLN 837 Cb -0.02 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1dqa h GLN 837 CO -0.06 0.92 0.00 1.25 -2.65 0.00 0.00 178.83 178.30 1dqa h LEU 838 N 0.78 0.88 -0.78 -2.39 5.85 -0.60 -1.38 115.31 117.67 1dqa h LEU 838 Ca 0.13 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1dqa h LEU 838 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1dqa h LEU 838 CO 0.04 0.94 0.06 0.00 -0.34 0.00 0.00 178.44 179.13 1dqa h ALA 839 N 1.16 0.98 -0.70 1.25 0.00 -0.78 -1.33 119.26 119.84 1dqa h ALA 839 Ca 0.16 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1dqa h ALA 839 Cb 0.50 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1dqa h ALA 839 CO 0.02 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.10 1dqa h ARG 840 N 0.92 1.09 -0.51 0.00 3.08 -0.77 -2.02 114.38 116.18 1dqa h ARG 840 Ca 0.18 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1dqa h ARG 840 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1dqa h ARG 840 CO 0.02 0.94 0.16 0.82 -1.07 0.00 0.00 179.97 180.84 1dqa h ILE 841 N 1.04 1.23 -0.33 2.04 2.04 -0.77 -1.85 117.51 120.92 1dqa h ILE 841 Ca 0.22 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1dqa h ILE 841 Cb 0.32 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1dqa h ILE 841 CO -0.00 0.28 0.20 0.58 0.00 0.00 0.00 178.15 179.21 1dqa h VAL 842 N 0.70 1.04 -0.65 1.67 2.07 -0.96 0.45 116.25 120.57 1dqa h VAL 842 Ca 0.17 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1dqa h VAL 842 Cb 0.27 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1dqa h VAL 842 CO -0.01 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.96 1dqa h GLY 844 N 0.90 0.74 1.55 0.00 0.00 -1.15 -1.70 103.07 103.40 1dqa h GLY 844 Ca 0.22 -0.63 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 1dqa h GLY 844 CO -0.03 0.58 -0.57 -0.84 0.00 0.00 0.00 176.54 175.68 1dqa h THR 845 N 0.59 1.34 -0.69 4.70 2.02 -0.51 -1.37 112.91 118.99 1dqa h THR 845 Ca 0.08 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 1dqa h THR 845 Cb 0.74 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1dqa h THR 845 CO 0.06 0.57 0.40 0.58 0.37 0.00 0.00 175.52 177.49 1dqa h VAL 846 N 0.35 1.20 -0.70 3.16 2.07 -0.77 -0.62 116.25 120.95 1dqa h VAL 846 Ca 0.00 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1dqa h VAL 846 Cb 1.10 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1dqa h VAL 846 CO 0.10 0.22 0.34 -0.03 0.02 0.00 0.00 177.57 178.22 1dqa h MET 847 N 0.94 1.00 -0.56 1.57 -1.53 -0.95 0.15 114.93 115.55 1dqa h MET 847 Ca 0.24 -0.14 0.01 0.00 -3.44 0.00 0.00 59.70 56.37 1dqa h MET 847 Cb 0.00 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 1dqa h MET 847 CO -0.04 0.79 0.37 0.00 0.14 0.00 0.00 176.91 178.16 1dqa h ALA 848 N 1.16 0.71 -0.64 0.39 0.00 -0.77 -0.84 119.26 119.28 1dqa h ALA 848 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1dqa h ALA 848 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dqa h ALA 848 CO -0.03 0.13 0.18 0.78 0.00 0.00 0.00 179.25 180.31 1dqa h GLY 849 N 0.74 1.08 1.00 0.00 0.00 -0.38 -2.57 103.07 102.93 1dqa h GLY 849 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1dqa h GLY 849 CO -0.06 0.61 0.27 0.83 0.00 0.00 0.00 176.54 178.19 1dqa h GLU 850 N 0.93 0.56 -0.23 4.80 4.39 -0.46 -1.16 114.58 123.41 1dqa h GLU 850 Ca 0.20 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.91 1dqa h GLU 850 Cb 0.32 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1dqa h GLU 850 CO -0.00 0.39 -0.06 1.25 -1.16 0.00 0.00 179.01 179.43 1dqa h LEU 851 N 0.57 -0.22 -0.20 1.33 5.85 -0.96 -0.58 115.31 121.10 1dqa h LEU 851 Ca 0.15 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1dqa h LEU 851 Cb -0.04 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1dqa h LEU 851 CO -0.03 -0.08 -0.21 -1.28 -0.34 0.00 0.00 178.44 176.50 1dqa h SER 852 N -0.00 0.52 -0.32 1.25 0.87 -1.33 -1.65 113.55 112.88 1dqa h SER 852 Ca 0.11 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1dqa h SER 852 Cb 0.17 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1dqa h SER 852 CO -0.24 0.90 0.05 0.25 -0.53 0.00 0.00 176.83 177.26 1dqa h LEU 853 N 0.15 0.52 -1.50 2.23 5.85 -1.20 -1.05 115.31 120.31 1dqa h LEU 853 Ca 0.03 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1dqa h LEU 853 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1dqa h LEU 853 CO 0.05 0.65 0.28 0.24 -0.34 0.00 0.00 178.44 179.33 1dqa h MET 854 N 0.36 0.62 -0.33 1.25 2.86 -1.11 0.30 114.93 118.89 1dqa h MET 854 Ca 0.10 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 1dqa h MET 854 Cb 0.36 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1dqa h MET 854 CO 0.01 0.43 -0.35 0.00 1.06 0.00 0.00 176.91 178.05 1dqa h ALA 855 N 1.68 0.49 -0.78 6.32 0.00 -1.02 -0.99 119.26 124.95 1dqa h ALA 855 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1dqa h ALA 855 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1dqa h ALA 855 CO -0.03 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.11 1dqa h ALA 856 N 0.73 1.11 -0.42 0.00 0.00 -0.21 -1.36 119.26 119.10 1dqa h ALA 856 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1dqa h ALA 856 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dqa h ALA 856 CO 0.09 0.65 -0.27 -0.07 0.00 0.00 0.00 179.25 179.64 1dqa h LEU 857 N 1.13 0.92 -0.65 0.00 3.38 -0.83 0.24 115.31 119.50 1dqa h LEU 857 Ca 0.26 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1dqa h LEU 857 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1dqa h LEU 857 CO -0.03 1.13 -0.01 0.00 0.09 0.00 0.00 178.44 179.62 1dqa h ALA 858 N 0.93 0.86 0.00 1.53 0.00 -0.83 -3.04 119.26 118.71 1dqa h ALA 858 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1dqa h ALA 858 Cb 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dqa h ALA 858 CO 0.07 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.68 1dqa n ALA 859 N -2.48 2.92 -2.01 0.00 0.00 -0.55 -4.96 120.51 113.43 1dqa n ALA 859 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1dqa n ALA 859 Cb 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.45 0.49 0.95 0.00 0.00 -0.31 -4.99 105.19 102.78 1dqa n GLY 860 Ca 0.06 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.70 0.25 0.20 1.61 8.25 0.68 -4.73 115.22 117.79 1dqa n HIS 861 Ca 0.00 -0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.20 1dqa n HIS 861 Cb 0.49 -0.00 -0.06 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 4.06 -0.90 -0.05 2.41 5.85 -1.92 -3.26 115.31 121.50 1dqa h LEU 862 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1dqa h LEU 862 Cb 0.90 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1dqa h LEU 862 CO 0.00 -0.44 -0.15 0.58 -0.34 0.00 0.00 178.44 178.10 1dqa h VAL 863 N -0.66 0.63 0.00 1.05 2.07 -1.91 -2.86 116.25 114.56 1dqa h VAL 863 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1dqa h VAL 863 Cb 0.57 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1dqa h VAL 863 CO -0.03 0.00 0.08 0.29 0.02 0.00 0.00 177.57 177.92 1dqa n LYS 864 N -5.28 0.00 0.03 1.57 5.02 -1.23 -3.50 118.16 114.76 1dqa n LYS 864 Ca -0.04 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1dqa n LYS 864 Cb 0.20 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1dqa n LYS 864 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1dqa n SER 865 N -0.98 0.48 -0.53 4.39 3.41 -1.08 -5.14 113.62 114.17 1dqa n SER 865 Ca 0.00 0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 1dqa n SER 865 Cb 0.08 -0.12 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1dqa n SER 865 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88