#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqa h ALA 478 N 0.00 2.10 0.00 0.55 0.00 -2.03 -1.05 119.26 118.84 1dqa h ALA 478 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dqa h ALA 478 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dqa h ALA 478 CO 0.00 -0.47 0.00 2.48 0.00 0.00 0.00 179.25 181.26 1dqa n TYR 479 N -4.63 0.00 -0.05 0.00 0.18 -1.26 -2.39 117.16 109.02 1dqa n TYR 479 Ca 0.23 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.11 1dqa n TYR 479 Cb 0.76 -0.37 0.23 0.00 -0.38 0.00 0.00 39.34 39.58 1dqa n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1dqa n LYS 480 N -1.37 2.55 -0.20 -3.48 5.02 -0.40 -4.67 118.16 115.61 1dqa n LYS 480 Ca 0.05 -2.31 0.01 0.00 -2.02 0.00 0.00 58.31 54.03 1dqa n LYS 480 Cb 0.13 -1.46 0.10 0.00 -0.02 0.00 0.00 35.03 33.77 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 3.75 -0.27 -2.42 -0.35 3.38 -1.60 -0.13 115.31 117.67 1dqa h LEU 481 Ca 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dqa h LEU 481 Cb 0.90 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1dqa h LEU 481 CO 0.00 -0.11 -0.03 -0.33 0.09 0.00 0.00 178.44 178.06 1dqa h GLU 482 N 0.12 0.00 -0.38 1.13 3.07 -1.86 -0.65 114.58 116.01 1dqa h GLU 482 Ca 0.32 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1dqa h GLU 482 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1dqa h GLU 482 CO -0.52 0.03 -0.39 1.15 -1.40 0.00 0.00 179.01 177.88 1dqa h THR 483 N 0.00 1.27 0.10 1.13 2.02 -1.35 -3.36 112.91 112.72 1dqa h THR 483 Ca -0.00 -1.57 -0.34 0.00 0.77 0.00 0.00 66.41 65.27 1dqa h THR 483 Cb 0.14 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1dqa h THR 483 CO 0.00 0.52 -1.85 0.18 0.37 0.00 0.00 175.52 174.75 1dqa n LEU 484 N -4.06 2.47 -4.90 2.58 4.77 -0.86 -4.97 117.00 112.04 1dqa n LEU 484 Ca -0.02 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 1dqa n LEU 484 Cb 0.55 -1.09 0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1dqa n LEU 484 CO 0.49 0.73 0.78 -0.63 -1.33 0.00 0.00 177.39 177.43 1dqa s ILE 485 N -2.52 2.29 0.00 -0.08 1.01 -0.31 -5.06 121.20 116.53 1dqa s ILE 485 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1dqa s ILE 485 Cb 0.06 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1dqa s ILE 485 CO 0.73 -0.12 0.14 -0.62 0.00 0.00 0.00 174.94 175.07 1dqa n GLU 486 N -3.25 0.00 -2.48 2.79 1.02 -1.26 -4.83 120.64 112.62 1dqa n GLU 486 Ca 0.08 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 1dqa n GLU 486 Cb 0.60 -0.65 -0.03 0.00 -0.02 0.00 0.00 31.44 31.34 1dqa n GLU 486 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dqa s THR 487 N -0.31 3.73 0.14 2.62 2.01 -1.26 -4.97 115.64 117.60 1dqa s THR 487 Ca 0.00 1.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.94 1dqa s THR 487 Cb 0.00 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 1dqa s THR 487 CO 0.00 -0.25 1.46 0.45 -0.69 0.00 0.00 174.62 175.59 1dqa h HIS 488 N 1.45 1.10 -1.00 4.92 3.86 -1.93 -3.09 115.15 120.47 1dqa h HIS 488 Ca -0.49 -0.34 0.01 0.00 -1.16 0.00 0.00 60.37 58.39 1dqa h HIS 488 Cb 1.22 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.42 1dqa h HIS 488 CO 0.56 1.17 0.66 1.49 0.86 0.00 0.00 177.93 182.67 1dqa h GLU 489 N 0.72 1.31 -0.20 2.45 4.81 -1.93 -1.43 114.58 120.31 1dqa h GLU 489 Ca 0.05 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1dqa h GLU 489 Cb 1.00 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1dqa h GLU 489 CO 0.10 0.87 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.90 1dqa h ARG 490 N 1.35 0.38 -0.59 1.92 2.43 -1.95 0.93 114.38 118.85 1dqa h ARG 490 Ca 0.37 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1dqa h ARG 490 Cb -0.14 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1dqa h ARG 490 CO -0.08 0.61 -0.04 0.78 -1.51 0.00 0.00 179.97 179.73 1dqa h GLY 491 N 1.01 1.14 1.01 2.80 0.00 -1.25 0.28 103.07 108.07 1dqa h GLY 491 Ca 0.05 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 1dqa h GLY 491 CO 0.05 0.79 -0.10 -2.08 0.00 0.00 0.00 176.54 175.20 1dqa h VAL 492 N 0.95 1.27 -0.38 4.60 2.07 -0.91 -0.47 116.25 123.38 1dqa h VAL 492 Ca 0.16 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1dqa h VAL 492 Cb 0.60 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1dqa h VAL 492 CO 0.04 0.41 0.19 -1.28 0.02 0.00 0.00 177.57 176.95 1dqa h SER 493 N 0.68 0.27 -0.24 0.57 0.87 -0.49 -0.94 113.55 114.27 1dqa h SER 493 Ca 0.11 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 1dqa h SER 493 Cb 0.64 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1dqa h SER 493 CO 0.04 0.20 -0.45 0.40 -0.53 0.00 0.00 176.83 176.49 1dqa h ILE 494 N 0.38 1.28 -0.70 2.23 2.04 -0.87 -1.86 117.51 120.01 1dqa h ILE 494 Ca 0.16 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 1dqa h ILE 494 Cb 0.08 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1dqa h ILE 494 CO -0.12 0.53 0.33 -0.09 0.00 0.00 0.00 178.15 178.80 1dqa h ARG 495 N 0.64 1.01 -0.79 2.37 2.43 -0.78 0.15 114.38 119.41 1dqa h ARG 495 Ca 0.04 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1dqa h ARG 495 Cb 1.03 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 1dqa h ARG 495 CO 0.10 0.79 0.33 0.00 -1.51 0.00 0.00 179.97 179.68 1dqa h ARG 496 N 1.00 1.18 -0.54 0.20 3.08 -1.01 0.85 114.38 119.14 1dqa h ARG 496 Ca 0.24 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1dqa h ARG 496 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1dqa h ARG 496 CO -0.03 0.94 -0.11 1.96 -1.07 0.00 0.00 179.97 181.66 1dqa h GLN 497 N 1.15 1.04 -0.26 0.04 4.20 -0.53 -0.48 115.11 120.27 1dqa h GLN 497 Ca 0.27 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1dqa h GLN 497 Cb 0.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1dqa h GLN 497 CO -0.02 1.08 0.10 -0.07 -0.67 0.00 0.00 178.83 179.25 1dqa h LEU 498 N 0.91 0.36 -0.71 1.46 3.38 -0.53 -3.05 115.31 117.13 1dqa h LEU 498 Ca 0.14 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1dqa h LEU 498 Cb 0.68 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1dqa h LEU 498 CO 0.05 0.43 0.47 0.25 0.09 0.00 0.00 178.44 179.73 1dqa h LEU 499 N 0.27 0.82 -0.94 1.67 5.85 -0.73 -2.89 115.31 119.36 1dqa h LEU 499 Ca 0.09 -0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.05 1dqa h LEU 499 Cb 0.19 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 40.87 1dqa h LEU 499 CO -0.01 0.59 0.40 -1.28 -0.34 0.00 0.00 178.44 177.81 1dqa h SER 500 N 0.96 0.27 0.73 1.25 0.87 -0.97 0.20 113.55 116.87 1dqa h SER 500 Ca 0.26 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1dqa h SER 500 Cb -0.11 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1dqa h SER 500 CO -0.06 -0.12 0.00 0.11 -0.53 0.00 0.00 176.83 176.24 1dqa h LYS 501 N 0.30 0.00 -0.01 2.24 1.57 -1.54 -2.73 116.57 116.39 1dqa h LYS 501 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1dqa h LYS 501 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1dqa h LYS 501 CO -0.61 0.00 -0.48 1.63 -0.57 0.00 0.00 179.45 179.42 1dqa n LYS 502 N -2.40 1.17 -3.50 3.15 5.02 0.68 -4.95 118.16 117.33 1dqa n LYS 502 Ca 0.02 -0.96 -0.36 0.00 -2.02 0.00 0.00 58.31 54.98 1dqa n LYS 502 Cb 0.23 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1dqa n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dqa s LEU 503 N -2.49 4.39 0.45 -0.35 1.43 -1.03 -4.97 118.68 116.11 1dqa s LEU 503 Ca 0.18 0.91 0.25 0.00 -1.03 0.00 0.00 54.13 54.44 1dqa s LEU 503 Cb 0.18 -2.91 0.59 0.00 0.03 0.00 0.00 46.19 44.08 1dqa s LEU 503 CO 0.58 0.21 1.70 0.77 0.23 0.00 0.00 176.35 179.83 1dqa h SER 504 N 4.00 0.00 -2.18 2.29 4.64 -1.93 -3.33 113.55 117.04 1dqa h SER 504 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 1dqa h SER 504 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.89 1dqa h SER 504 CO 0.65 0.06 -0.83 -0.62 -0.87 0.00 0.00 176.83 175.22 1dqa n GLU 505 N -3.13 1.60 0.23 4.77 1.02 -1.26 -4.98 120.64 118.89 1dqa n GLU 505 Ca 0.03 -3.98 0.16 0.00 -0.02 0.00 0.00 57.16 53.35 1dqa n GLU 505 Cb 0.49 -1.80 0.84 0.00 -0.02 0.00 0.00 31.44 30.96 1dqa n GLU 505 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1dqa h PRO 506 N 4.27 0.00 0.00 3.49 0.13 -1.79 -1.83 132.00 136.27 1dqa h PRO 506 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1dqa h PRO 506 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dqa h PRO 506 CO 0.65 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1dqa n SER 507 N -3.86 0.10 -0.35 1.44 3.41 -1.26 -2.79 113.62 110.30 1dqa n SER 507 Ca 0.00 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 59.13 1dqa n SER 507 Cb 0.25 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.00 1.02 -0.02 4.04 4.64 -1.77 -1.92 113.55 119.55 1dqa h SER 508 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqa h SER 508 Cb 0.26 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dqa h SER 508 CO 0.00 0.70 0.27 -0.07 -0.87 0.00 0.00 176.83 176.86 1dqa h LEU 509 N 1.19 0.00 -2.02 5.97 4.07 -1.75 -1.91 115.31 120.85 1dqa h LEU 509 Ca 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.32 1dqa h LEU 509 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1dqa h LEU 509 CO -0.12 0.00 -0.05 1.56 -1.08 0.00 0.00 178.44 178.75 1dqa h GLN 510 N 0.00 0.00 -0.39 1.13 4.20 -1.57 -2.24 115.11 116.24 1dqa h GLN 510 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1dqa h GLN 510 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1dqa h GLN 510 CO -0.00 0.05 0.00 0.66 -0.67 0.00 0.00 178.83 178.87 1dqa n TYR 511 N -4.24 0.51 -3.38 2.96 4.02 -0.72 -4.80 117.16 111.50 1dqa n TYR 511 Ca -0.03 -0.26 -0.43 0.00 -0.01 0.00 0.00 57.90 57.17 1dqa n TYR 511 Cb 0.14 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.36 1dqa n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dqa s LEU 512 N -1.46 5.03 0.69 7.72 2.96 -0.84 -5.07 118.68 127.70 1dqa s LEU 512 Ca 0.39 -0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 1dqa s LEU 512 Cb 0.23 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1dqa s LEU 512 CO 0.31 -0.54 1.20 -2.84 -1.32 0.00 0.00 176.35 173.16 1dqa s PRO 513 N 1.92 2.41 0.00 0.98 0.02 -1.26 -4.88 135.00 134.19 1dqa s PRO 513 Ca 0.09 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1dqa s PRO 513 Cb -0.18 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1dqa s PRO 513 CO 0.12 -1.63 0.00 2.48 -0.33 0.00 0.00 177.00 177.64 1dqa n TYR 514 N -2.40 0.00 -2.27 6.54 0.18 -1.26 -1.37 117.16 116.57 1dqa n TYR 514 Ca 0.13 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.56 1dqa n TYR 514 Cb 0.50 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.46 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 -0.54 3.52 -1.24 -3.48 1.81 -1.26 -4.22 118.95 113.54 1dqa s ARG 515 Ca 0.00 1.66 -0.05 0.00 -1.72 0.00 0.00 55.73 55.62 1dqa s ARG 515 Cb 0.00 -2.15 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1dqa s ARG 515 CO 0.00 -0.72 0.74 -0.25 -0.68 0.00 0.00 175.30 174.38 1dqa n ASP 516 N -1.00 -2.67 -4.12 0.23 8.00 -1.26 -5.02 116.55 110.71 1dqa n ASP 516 Ca 0.10 -0.85 -0.20 0.00 0.71 0.00 0.00 54.79 54.54 1dqa n ASP 516 Cb 0.50 -4.03 -0.14 0.00 -0.02 0.00 0.00 41.12 37.43 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 -3.60 1.18 -0.81 1.24 5.04 -1.26 -5.06 117.35 114.08 1dqa s TYR 517 Ca 0.16 -0.31 -0.23 0.00 -2.44 0.00 0.00 57.07 54.25 1dqa s TYR 517 Cb -0.04 -0.72 -0.16 0.00 0.35 0.00 0.00 41.96 41.39 1dqa s TYR 517 CO 0.82 0.02 1.91 0.27 -1.34 0.00 0.00 175.55 177.22 1dqa n ASN 518 N 2.17 2.55 0.26 4.32 6.94 -1.26 -4.77 115.26 125.46 1dqa n ASN 518 Ca -0.17 -2.68 0.17 0.00 -0.02 0.00 0.00 54.58 51.89 1dqa n ASN 518 Cb 0.55 -1.19 0.82 0.00 -2.36 0.00 0.00 39.78 37.60 1dqa n ASN 518 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 1dqa h TYR 519 N 8.28 0.00 -0.96 -2.53 -1.99 -1.97 -2.96 116.97 114.84 1dqa h TYR 519 Ca 0.38 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 1dqa h TYR 519 Cb 0.71 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.40 1dqa h TYR 519 CO 1.23 0.00 0.60 0.77 -0.00 0.00 0.00 178.16 180.75 1dqa h SER 520 N 0.00 1.14 1.42 3.88 0.02 -1.94 -1.78 113.55 116.29 1dqa h SER 520 Ca 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1dqa h SER 520 Cb 0.23 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1dqa h SER 520 CO 0.00 0.86 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.45 1dqa h LEU 521 N 1.32 0.00 0.00 5.07 3.38 -1.91 -3.32 115.31 119.86 1dqa h LEU 521 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1dqa h LEU 521 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1dqa h LEU 521 CO -0.07 0.03 -0.09 0.58 0.09 0.00 0.00 178.44 178.98 1dqa h VAL 522 N 0.00 1.41 -2.34 1.22 2.07 -1.48 -3.42 116.25 113.71 1dqa h VAL 522 Ca -0.00 -2.09 -0.57 0.00 0.82 0.00 0.00 66.70 64.86 1dqa h VAL 522 Cb 0.74 2.69 0.06 0.00 -1.52 0.00 0.00 31.29 33.26 1dqa h VAL 522 CO 0.00 0.48 0.82 0.23 0.02 0.00 0.00 177.57 179.12 1dqa n MET 523 N -4.63 2.23 -0.58 1.57 2.81 -0.74 -0.84 117.12 116.94 1dqa n MET 523 Ca -0.10 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1dqa n MET 523 Cb 0.41 -2.58 0.00 0.00 -0.71 0.00 0.00 33.22 30.34 1dqa n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dqa n GLY 524 N 3.43 1.63 0.00 3.03 0.00 -1.26 -4.77 105.19 107.25 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 0.41 1.50 0.00 4.61 0.00 -0.72 -5.02 120.51 121.29 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 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.97 1.78 -1.53 0.00 8.01 -1.26 -4.53 118.70 120.21 1dqa s GLU 528 Ca 0.01 -1.93 -0.06 0.00 0.01 0.00 0.00 54.97 53.00 1dqa s GLU 528 Cb -0.01 -1.60 0.05 0.00 -4.31 0.00 0.00 34.13 28.26 1dqa s GLU 528 CO -0.02 0.11 0.49 -1.71 0.01 0.00 0.00 175.26 174.14 1dqa n ASN 529 N -0.77 -1.15 -4.72 -0.19 5.15 -1.26 -4.87 115.26 107.46 1dqa n ASN 529 Ca -0.05 -1.04 -0.42 0.00 -0.60 0.00 0.00 54.58 52.47 1dqa n ASN 529 Cb 0.64 -2.77 -0.03 0.00 -0.53 0.00 0.00 39.78 37.09 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 -3.79 3.00 -0.12 3.44 1.01 -1.26 -4.92 120.40 117.76 1dqa s VAL 530 Ca 0.25 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1dqa s VAL 530 Cb -0.14 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1dqa s VAL 530 CO 0.92 0.06 0.68 2.30 0.00 0.00 0.00 175.10 179.05 1dqa n ILE 531 N 3.96 0.30 -0.58 2.22 -5.35 -1.26 -4.61 119.36 114.05 1dqa n ILE 531 Ca 0.13 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1dqa n ILE 531 Cb 0.41 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.21 3.15 3.28 0.00 -1.26 -4.81 105.19 105.68 1dqa n GLY 532 Ca 0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.68 0.11 -0.31 1.61 -0.85 -0.47 -4.96 117.35 108.79 1dqa s TYR 533 Ca 0.00 -0.37 -0.07 0.00 -0.52 0.00 0.00 57.07 56.12 1dqa s TYR 533 Cb 0.00 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.29 1dqa s TYR 533 CO 0.00 -0.40 0.09 1.41 -1.52 0.00 0.00 175.55 175.13 1dqa s MET 534 N -2.56 2.90 -0.03 -3.49 -2.45 -1.26 -4.07 119.30 108.35 1dqa s MET 534 Ca -0.05 -0.99 -0.30 0.00 -1.25 0.00 0.00 55.69 53.10 1dqa s MET 534 Cb -0.01 -3.41 -0.04 0.00 1.25 0.00 0.00 34.83 32.62 1dqa s MET 534 CO -0.04 -0.53 1.22 -2.14 1.05 0.00 0.00 175.02 174.57 1dqa s PRO 535 N 1.46 4.36 -0.16 4.11 0.02 -1.26 -5.03 135.00 138.51 1dqa s PRO 535 Ca 0.01 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.73 1dqa s PRO 535 Cb -0.18 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 1dqa s PRO 535 CO 0.03 -0.42 -0.10 0.42 -0.33 0.00 0.00 177.00 176.60 1dqa s ILE 536 N 2.00 3.19 0.40 2.83 -1.09 -1.26 -5.09 121.20 122.19 1dqa s ILE 536 Ca 0.57 -0.59 -0.26 0.00 -2.23 0.00 0.00 60.65 58.14 1dqa s ILE 536 Cb -0.26 -2.38 -0.10 0.00 -1.58 0.00 0.00 42.46 38.14 1dqa s ILE 536 CO 0.24 0.49 1.35 -2.65 -1.23 0.00 0.00 174.94 173.14 1dqa n PRO 537 N 3.96 2.17 -4.65 2.79 -0.02 -1.26 -4.76 135.00 133.23 1dqa n PRO 537 Ca -0.18 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 1dqa n PRO 537 Cb 0.52 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.16 2.02 0.38 -1.45 1.01 -1.26 -0.99 120.40 118.95 1dqa s VAL 538 Ca 0.58 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1dqa s VAL 538 Cb -0.50 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1dqa s VAL 538 CO 0.60 0.54 0.07 -0.83 0.00 0.00 0.00 175.10 175.48 1dqa s GLY 539 N 0.84 2.27 -0.05 4.51 0.00 0.36 -4.92 107.32 110.33 1dqa s GLY 539 Ca -0.07 -2.10 0.05 0.00 0.00 0.00 0.00 44.72 42.60 1dqa s GLY 539 CO -0.02 -1.95 -0.19 0.54 0.00 0.00 0.00 173.10 171.48 1dqa s VAL 540 N -2.59 1.59 -0.07 1.40 0.11 -1.26 -0.69 120.40 118.90 1dqa s VAL 540 Ca 0.37 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1dqa s VAL 540 Cb 0.04 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1dqa s VAL 540 CO 0.20 0.45 -0.19 0.00 -3.33 0.00 0.00 175.10 172.24 1dqa s ALA 541 N -0.04 2.45 0.00 1.54 0.00 -0.33 -4.93 121.76 120.45 1dqa s ALA 541 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1dqa s ALA 541 Cb -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.11 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 2.78 -0.60 3.77 0.00 0.00 -1.26 -0.93 105.19 108.94 1dqa n GLY 542 Ca -0.17 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.76 4.36 -0.37 1.61 0.04 -1.26 -4.92 135.00 132.71 1dqa s PRO 543 Ca 0.00 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1dqa s PRO 543 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1dqa s PRO 543 CO 0.00 -0.10 0.54 -1.17 0.04 0.00 0.00 177.00 176.32 1dqa s LEU 544 N -1.87 4.39 -0.53 -3.56 2.96 0.50 -4.65 118.68 115.91 1dqa s LEU 544 Ca 0.50 -0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 54.11 1dqa s LEU 544 Cb -0.35 -2.62 0.05 0.00 0.50 0.00 0.00 46.19 43.77 1dqa s LEU 544 CO 0.45 -0.54 0.79 0.00 -1.32 0.00 0.00 176.35 175.73 1dqa s LEU 546 N 3.30 0.94 -1.49 0.00 2.96 -0.34 -0.58 118.68 123.49 1dqa s LEU 546 Ca 0.23 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1dqa s LEU 546 Cb -0.16 -0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.27 1dqa s LEU 546 CO 0.15 -0.13 0.62 0.47 -1.32 0.00 0.00 176.35 176.14 1dqa n ASP 547 N 4.50 -1.76 -0.02 3.68 8.00 0.05 -1.22 116.55 129.76 1dqa n ASP 547 Ca -0.19 -0.96 -0.00 0.00 0.71 0.00 0.00 54.79 54.35 1dqa n ASP 547 Cb 0.50 -3.21 -0.00 0.00 -0.02 0.00 0.00 41.12 38.39 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 -4.43 -0.82 -4.57 -1.24 1.02 -1.26 -5.00 120.64 104.34 1dqa n GLU 548 Ca -0.17 0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 1dqa n GLU 548 Cb 0.62 -3.85 -0.11 0.00 -0.02 0.00 0.00 31.44 28.07 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 -0.89 1.87 -0.06 3.49 1.02 -0.36 -5.15 119.74 119.66 1dqa s LYS 549 Ca 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 55.97 53.95 1dqa s LYS 549 Cb 0.00 -1.42 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1dqa s LYS 549 CO 0.00 -0.09 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.02 1dqa s GLU 550 N -3.76 1.53 0.01 1.68 2.02 -1.26 -1.20 118.70 117.71 1dqa s GLU 550 Ca 0.35 -0.35 0.08 0.00 0.02 0.00 0.00 54.97 55.08 1dqa s GLU 550 Cb 0.10 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.99 1dqa s GLU 550 CO 0.17 -0.01 -0.24 -0.06 0.02 0.00 0.00 175.26 175.14 1dqa s PHE 551 N 0.78 2.17 -0.45 1.61 0.40 -0.18 -4.90 117.98 117.40 1dqa s PHE 551 Ca -0.13 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 1dqa s PHE 551 Cb -0.15 -1.36 0.09 0.00 0.51 0.00 0.00 43.02 42.10 1dqa s PHE 551 CO 0.02 0.02 0.33 -0.65 0.70 0.00 0.00 175.22 175.64 1dqa s GLN 552 N -0.81 2.72 -0.33 0.44 -1.52 -1.26 -0.37 119.66 118.53 1dqa s GLN 552 Ca 0.10 -1.49 -0.24 0.00 -1.95 0.00 0.00 55.36 51.78 1dqa s GLN 552 Cb -0.09 -3.93 0.00 0.00 -0.22 0.00 0.00 33.01 28.77 1dqa s GLN 552 CO 0.00 -1.03 0.82 0.08 -0.25 0.00 0.00 175.29 174.91 1dqa s VAL 553 N 1.49 4.74 0.16 1.09 1.01 -0.11 -4.58 120.40 124.21 1dqa s VAL 553 Ca 0.04 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1dqa s VAL 553 Cb -0.24 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.87 1dqa s VAL 553 CO 0.03 -0.33 0.96 -2.16 0.00 0.00 0.00 175.10 173.60 1dqa s PRO 554 N 3.08 4.75 -0.08 2.72 0.04 -1.26 -1.19 135.00 143.07 1dqa s PRO 554 Ca 0.33 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1dqa s PRO 554 Cb -0.14 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.11 1dqa s PRO 554 CO 0.14 0.32 0.04 -1.64 0.04 0.00 0.00 177.00 175.91 1dqa s MET 555 N -0.48 0.20 -0.33 4.56 -1.94 0.14 -4.43 119.30 117.02 1dqa s MET 555 Ca 0.45 0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 54.46 1dqa s MET 555 Cb -0.25 -0.92 -0.02 0.00 2.01 0.00 0.00 34.83 35.66 1dqa s MET 555 CO 0.31 -0.38 0.37 0.00 -0.01 0.00 0.00 175.02 175.31 1dqa s ALA 556 N 2.08 3.51 0.20 3.03 0.00 -0.34 -0.49 121.76 129.76 1dqa s ALA 556 Ca 0.04 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 1dqa s ALA 556 Cb -0.13 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.23 1dqa s ALA 556 CO -0.05 -0.99 0.62 -0.08 0.00 0.00 0.00 175.76 175.26 1dqa s THR 557 N 2.05 0.01 0.00 0.00 -1.32 -0.16 -4.31 115.64 111.90 1dqa s THR 557 Ca 0.13 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1dqa s THR 557 Cb -0.16 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 1dqa s THR 557 CO 0.11 -0.03 0.91 0.35 -2.21 0.00 0.00 174.62 173.75 1dqa n THR 558 N -0.39 0.82 -3.00 5.08 -2.24 -1.26 -3.99 114.28 109.30 1dqa n THR 558 Ca -0.12 -0.90 -0.43 0.00 -2.27 0.00 0.00 64.05 60.34 1dqa n THR 558 Cb 0.63 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.82 3.28 0.57 -0.78 2.12 -1.26 -5.04 118.70 116.77 1dqa s GLU 559 Ca 0.00 -0.42 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 1dqa s GLU 559 Cb 0.00 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 1dqa s GLU 559 CO 0.00 -1.26 1.25 0.41 -0.54 0.00 0.00 175.26 175.12 1dqa n GLY 560 N 5.09 0.45 2.68 -1.50 0.00 -1.26 -2.45 105.19 108.20 1dqa n GLY 560 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.55 -0.38 0.00 5.85 -1.88 0.16 115.31 118.50 1dqa h LEU 562 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1dqa h LEU 562 Cb 0.00 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1dqa h LEU 562 CO 0.00 -0.33 0.19 0.58 -0.34 0.00 0.00 178.44 178.54 1dqa h VAL 563 N -0.50 1.16 -0.36 1.05 2.07 -1.91 -0.61 116.25 117.16 1dqa h VAL 563 Ca -0.02 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1dqa h VAL 563 Cb 0.43 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1dqa h VAL 563 CO -0.01 0.18 0.17 0.00 0.02 0.00 0.00 177.57 177.93 1dqa h ALA 564 N 1.04 0.44 -0.23 1.67 0.00 -1.91 0.90 119.26 121.18 1dqa h ALA 564 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dqa h ALA 564 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dqa h ALA 564 CO -0.02 -0.20 0.10 1.03 0.00 0.00 0.00 179.25 180.16 1dqa h SER 565 N 0.36 0.31 -0.82 0.00 0.87 -0.59 -1.10 113.55 112.59 1dqa h SER 565 Ca 0.15 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1dqa h SER 565 Cb 0.07 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1dqa h SER 565 CO -0.11 0.38 0.46 0.74 -0.53 0.00 0.00 176.83 177.77 1dqa h THR 566 N 0.22 1.24 -0.69 2.23 2.02 -0.78 -1.35 112.91 115.79 1dqa h THR 566 Ca 0.08 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1dqa h THR 566 Cb 0.16 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1dqa h THR 566 CO -0.01 0.27 0.19 -1.13 0.37 0.00 0.00 175.52 175.21 1dqa h ASN 567 N 1.16 1.03 -0.55 4.18 -1.24 -0.63 -0.98 115.58 118.55 1dqa h ASN 567 Ca 0.29 -0.22 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 1dqa h ASN 567 Cb 0.02 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1dqa h ASN 567 CO -0.05 0.98 0.20 -0.09 -1.29 0.00 0.00 177.43 177.19 1dqa h ARG 568 N 1.03 0.83 -0.75 6.67 2.43 -0.72 0.04 114.38 123.91 1dqa h ARG 568 Ca 0.22 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1dqa h ARG 568 Cb 0.34 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1dqa h ARG 568 CO -0.00 0.73 0.35 0.78 -1.51 0.00 0.00 179.97 180.33 1dqa h GLY 569 N 0.75 1.16 0.96 2.80 0.00 -0.97 -0.46 103.07 107.31 1dqa h GLY 569 Ca 0.18 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1dqa h GLY 569 CO -0.01 0.54 0.21 0.00 0.00 0.00 0.00 176.54 177.28 1dqa h ARG 571 N 0.57 0.47 -0.37 0.00 9.65 -0.53 0.91 114.38 125.08 1dqa h ARG 571 Ca 0.15 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1dqa h ARG 571 Cb 0.13 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1dqa h ARG 571 CO -0.02 0.31 0.22 0.00 2.80 0.00 0.00 179.97 183.28 1dqa h ALA 572 N 1.22 0.47 -0.73 2.80 0.00 -0.92 -1.83 119.26 120.26 1dqa h ALA 572 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dqa h ALA 572 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1dqa h ALA 572 CO -0.11 -0.03 0.38 0.82 0.00 0.00 0.00 179.25 180.30 1dqa h ILE 573 N 0.48 1.23 -0.59 0.00 2.04 -0.73 -1.99 117.51 117.96 1dqa h ILE 573 Ca 0.13 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1dqa h ILE 573 Cb 0.01 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1dqa h ILE 573 CO -0.02 0.27 0.30 1.23 0.00 0.00 0.00 178.15 179.92 1dqa h GLY 574 N 1.02 0.89 2.00 5.37 0.00 -0.58 -0.04 103.07 111.74 1dqa h GLY 574 Ca 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1dqa h GLY 574 CO -0.04 0.41 0.00 1.41 0.00 0.00 0.00 176.54 178.32 1dqa h LEU 575 N 0.79 0.00 -1.20 3.11 3.38 -1.19 -1.82 115.31 118.38 1dqa h LEU 575 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1dqa h LEU 575 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dqa h LEU 575 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1dqa n GLY 576 N 0.01 0.44 0.75 0.83 0.00 -0.61 -4.84 105.19 101.77 1dqa n GLY 576 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.12 0.72 0.00 -0.02 0.00 -0.68 -4.66 105.19 101.67 1dqa n GLY 577 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.11 0.75 3.94 -0.02 0.00 -0.13 -5.00 105.19 102.63 1dqa n GLY 578 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.98 3.95 -0.01 4.61 0.00 0.26 -4.66 121.76 122.92 1dqa s ALA 579 Ca 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1dqa s ALA 579 Cb 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 1dqa s ALA 579 CO 0.00 0.16 -0.17 -1.12 0.00 0.00 0.00 175.76 174.63 1dqa s SER 580 N -4.01 2.02 0.13 0.00 0.01 -0.53 -0.77 113.70 110.56 1dqa s SER 580 Ca 0.37 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1dqa s SER 580 Cb -0.09 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1dqa s SER 580 CO 0.29 0.21 -0.02 -0.94 0.41 0.00 0.00 173.24 173.18 1dqa s SER 581 N -0.39 1.04 -0.04 2.44 1.04 -1.26 -1.17 113.70 115.36 1dqa s SER 581 Ca 0.06 -1.10 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 1dqa s SER 581 Cb -0.07 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1dqa s SER 581 CO -0.01 -0.54 0.10 -0.13 0.98 0.00 0.00 173.24 173.64 1dqa s ARG 582 N -3.90 0.12 -0.22 4.02 1.81 -0.38 -5.00 118.95 115.39 1dqa s ARG 582 Ca 0.18 0.15 -0.18 0.00 -1.72 0.00 0.00 55.73 54.16 1dqa s ARG 582 Cb 0.06 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1dqa s ARG 582 CO -0.01 -0.02 0.48 0.08 -0.68 0.00 0.00 175.30 175.15 1dqa s VAL 583 N 0.10 5.12 -0.09 3.52 1.01 -1.26 -1.76 120.40 127.04 1dqa s VAL 583 Ca -0.00 0.86 0.14 0.00 0.00 0.00 0.00 61.98 62.98 1dqa s VAL 583 Cb -0.01 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 1dqa s VAL 583 CO -0.00 0.16 0.54 0.18 0.00 0.00 0.00 175.10 175.98 1dqa n LEU 584 N 4.98 0.66 -3.49 3.92 4.77 0.18 -5.00 117.00 123.02 1dqa n LEU 584 Ca -0.05 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1dqa n LEU 584 Cb 0.50 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 1dqa n LEU 584 CO 0.41 0.39 0.38 0.00 -1.33 0.00 0.00 177.39 177.23 1dqa s ALA 585 N -2.61 -1.47 -0.27 -1.18 0.00 -1.17 -4.95 121.76 110.11 1dqa s ALA 585 Ca -0.06 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1dqa s ALA 585 Cb 0.08 0.86 0.16 0.00 0.00 0.00 0.00 23.12 24.22 1dqa s ALA 585 CO 0.83 -0.78 0.48 0.34 0.00 0.00 0.00 175.76 176.62 1dqa s ASP 586 N -2.78 -0.47 -0.30 0.00 2.15 -1.25 -1.42 116.67 112.61 1dqa s ASP 586 Ca 0.02 0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.24 1dqa s ASP 586 Cb -0.01 1.56 0.18 0.00 -0.30 0.00 0.00 42.92 44.35 1dqa s ASP 586 CO -0.11 -0.29 1.00 -0.83 -0.17 0.00 0.00 175.17 174.77 1dqa s GLY 587 N 2.68 -0.36 0.64 2.66 0.00 0.42 -4.46 107.32 108.89 1dqa s GLY 587 Ca 0.15 2.75 -0.15 0.00 0.00 0.00 0.00 44.72 47.48 1dqa s GLY 587 CO -0.21 3.67 1.09 -0.29 0.00 0.00 0.00 173.10 177.36 1dqa s MET 588 N 2.84 2.98 0.17 2.90 1.75 -0.18 -1.01 119.30 128.74 1dqa s MET 588 Ca 0.01 1.28 0.04 0.00 -1.25 0.00 0.00 55.69 55.77 1dqa s MET 588 Cb -0.10 -1.98 -0.05 0.00 2.84 0.00 0.00 34.83 35.54 1dqa s MET 588 CO -0.13 -1.09 -0.06 0.95 -0.65 0.00 0.00 175.02 174.04 1dqa s THR 589 N -2.45 1.03 -0.07 10.11 -4.23 -1.26 -0.97 115.64 117.80 1dqa s THR 589 Ca 0.65 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1dqa s THR 589 Cb -0.18 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.70 1dqa s THR 589 CO 0.41 -0.61 0.16 -0.60 -0.54 0.00 0.00 174.62 173.44 1dqa s ARG 590 N -3.81 0.11 -0.67 3.99 6.06 -0.76 -4.89 118.95 118.98 1dqa s ARG 590 Ca 0.20 0.40 0.05 0.00 -2.50 0.00 0.00 55.73 53.88 1dqa s ARG 590 Cb 0.04 -0.17 0.20 0.00 0.06 0.00 0.00 34.95 35.07 1dqa s ARG 590 CO 0.03 -0.17 0.57 0.41 -2.50 0.00 0.00 175.30 173.64 1dqa n GLY 591 N 4.24 4.19 3.70 8.12 0.00 -1.26 -0.74 105.19 123.45 1dqa n GLY 591 Ca -0.26 -2.59 -0.31 0.00 0.00 0.00 0.00 46.02 42.86 1dqa n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqa s PRO 592 N -1.73 1.39 -0.12 1.61 0.04 -1.12 -0.08 135.00 134.98 1dqa s PRO 592 Ca 0.30 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1dqa s PRO 592 Cb 0.02 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 1dqa s PRO 592 CO -0.12 -2.28 -0.20 0.54 0.04 0.00 0.00 177.00 174.97 1dqa s VAL 593 N -2.77 2.35 0.33 -0.36 0.11 -0.63 -2.49 120.40 116.95 1dqa s VAL 593 Ca 0.64 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 1dqa s VAL 593 Cb -0.20 -1.94 -0.07 0.00 -1.53 0.00 0.00 36.38 32.64 1dqa s VAL 593 CO 0.58 0.55 0.03 0.68 -3.33 0.00 0.00 175.10 173.60 1dqa s VAL 594 N 0.47 1.46 -0.04 2.04 -7.23 -0.29 -2.08 120.40 114.72 1dqa s VAL 594 Ca -0.14 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 57.93 1dqa s VAL 594 Cb -0.17 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1dqa s VAL 594 CO 0.06 -0.06 0.18 0.00 -0.31 0.00 0.00 175.10 174.97 1dqa s ARG 595 N -3.82 0.38 0.39 4.82 1.70 0.06 -0.40 118.95 122.08 1dqa s ARG 595 Ca 0.35 -0.06 0.08 0.00 -0.47 0.00 0.00 55.73 55.63 1dqa s ARG 595 Cb 0.08 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1dqa s ARG 595 CO 0.15 -0.08 0.23 -0.51 -1.08 0.00 0.00 175.30 174.01 1dqa s LEU 596 N -0.68 3.25 0.38 -1.89 1.02 -0.28 -0.14 118.68 120.34 1dqa s LEU 596 Ca -0.08 -0.89 0.05 0.00 0.02 0.00 0.00 54.13 53.24 1dqa s LEU 596 Cb -0.04 -1.71 0.77 0.00 0.02 0.00 0.00 46.19 45.22 1dqa s LEU 596 CO 0.01 -0.50 2.03 -0.65 0.02 0.00 0.00 176.35 177.26 1dqa h PRO 597 N 1.34 0.65 -4.24 1.29 0.11 -1.87 -3.45 132.00 125.83 1dqa h PRO 597 Ca -0.43 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1dqa h PRO 597 Cb 1.26 -0.14 -0.15 0.00 0.11 0.00 0.00 31.00 32.07 1dqa h PRO 597 CO 0.64 0.44 -0.64 1.03 -0.21 0.00 0.00 178.00 179.26 1dqa s ARG 598 N -5.55 0.70 0.41 1.05 1.81 -1.26 -4.98 118.95 111.12 1dqa s ARG 598 Ca -0.09 -1.25 0.12 0.00 -1.72 0.00 0.00 55.73 52.79 1dqa s ARG 598 Cb 0.17 0.23 0.86 0.00 -0.45 0.00 0.00 34.95 35.76 1dqa s ARG 598 CO 0.74 -0.16 1.93 0.00 -0.68 0.00 0.00 175.30 177.13 1dqa h ALA 599 N 3.05 1.56 -0.17 2.13 0.00 -1.88 -1.36 119.26 122.60 1dqa h ALA 599 Ca -0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1dqa h ALA 599 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1dqa h ALA 599 CO 0.63 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 180.08 1dqa h ASP 601 N 0.25 0.53 -0.13 0.00 3.32 -1.69 -2.78 116.42 115.91 1dqa h ASP 601 Ca 0.05 -0.76 -0.04 0.00 0.02 0.00 0.00 57.03 56.30 1dqa h ASP 601 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1dqa h ASP 601 CO 0.02 1.22 -0.03 0.77 -1.72 0.00 0.00 179.24 179.50 1dqa h SER 602 N -0.11 0.36 -0.73 6.45 4.64 -1.04 -1.62 113.55 121.50 1dqa h SER 602 Ca -0.07 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1dqa h SER 602 Cb 1.31 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1dqa h SER 602 CO 0.12 0.44 0.25 0.00 -0.87 0.00 0.00 176.83 176.77 1dqa h ALA 603 N 1.60 0.95 -0.66 5.18 0.00 -1.04 -0.50 119.26 124.80 1dqa h ALA 603 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1dqa h ALA 603 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1dqa h ALA 603 CO 0.01 0.61 0.15 1.49 0.00 0.00 0.00 179.25 181.51 1dqa h GLU 604 N 1.07 1.06 -0.62 0.00 4.81 -1.05 -1.57 114.58 118.28 1dqa h GLU 604 Ca 0.24 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1dqa h GLU 604 Cb 0.27 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1dqa h GLU 604 CO -0.01 0.96 0.03 0.28 -0.73 0.00 0.00 179.01 179.53 1dqa h VAL 605 N 0.98 1.27 -0.20 0.32 2.07 -0.89 -1.21 116.25 118.59 1dqa h VAL 605 Ca 0.20 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1dqa h VAL 605 Cb 0.38 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1dqa h VAL 605 CO 0.00 0.41 0.13 0.50 0.02 0.00 0.00 177.57 178.64 1dqa h LYS 606 N 0.98 0.26 -0.71 1.57 3.64 -0.90 -0.61 116.57 120.79 1dqa h LYS 606 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1dqa h LYS 606 Cb 0.53 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1dqa h LYS 606 CO 0.03 0.17 0.33 0.00 -2.27 0.00 0.00 179.45 177.71 1dqa h ALA 607 N 1.07 1.25 -0.50 5.00 0.00 -1.08 -2.11 119.26 122.90 1dqa h ALA 607 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1dqa h ALA 607 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1dqa h ALA 607 CO -0.02 0.57 0.10 2.35 0.00 0.00 0.00 179.25 182.25 1dqa h TRP 608 N 1.01 0.86 0.00 0.00 7.01 -0.77 -2.34 115.95 121.71 1dqa h TRP 608 Ca 0.24 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1dqa h TRP 608 Cb 0.12 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1dqa h TRP 608 CO 0.01 0.78 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.31 1dqa h LEU 609 N 0.69 0.00 -0.71 0.65 3.38 -0.85 -2.23 115.31 116.24 1dqa h LEU 609 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1dqa h LEU 609 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dqa h LEU 609 CO 0.01 0.05 -0.01 -0.62 0.09 0.00 0.00 178.44 177.96 1dqa n GLU 610 N -3.30 1.46 -3.14 1.13 1.02 -0.82 -4.03 120.64 112.96 1dqa n GLU 610 Ca -0.01 -0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 56.12 1dqa n GLU 610 Cb 0.23 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.03 4.90 0.33 2.62 -4.23 -0.84 -4.98 115.64 111.41 1dqa s THR 611 Ca 0.40 0.37 0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1dqa s THR 611 Cb 0.21 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.45 1dqa s THR 611 CO 0.35 -0.37 1.82 0.77 -0.54 0.00 0.00 174.62 176.65 1dqa h SER 612 N 1.62 0.36 -0.41 3.99 4.64 -1.89 -1.46 113.55 120.40 1dqa h SER 612 Ca -0.47 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 60.65 1dqa h SER 612 Cb 1.19 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1dqa h SER 612 CO 0.65 0.56 -0.14 1.05 -0.87 0.00 0.00 176.83 178.09 1dqa h GLU 613 N 0.35 0.82 -0.32 4.77 9.09 -1.94 -0.27 114.58 127.08 1dqa h GLU 613 Ca 0.06 -0.33 -0.04 0.00 0.05 0.00 0.00 59.36 59.10 1dqa h GLU 613 Cb 0.51 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1dqa h GLU 613 CO 0.03 0.96 0.05 0.78 0.05 0.00 0.00 179.01 180.88 1dqa h GLY 614 N 0.64 0.57 1.00 1.06 0.00 -1.62 -2.57 103.07 102.15 1dqa h GLY 614 Ca 0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dqa h GLY 614 CO 0.05 0.35 0.41 -2.75 0.00 0.00 0.00 176.54 174.60 1dqa h PHE 615 N 0.36 0.86 -0.24 5.60 3.57 -1.21 -2.44 116.94 123.44 1dqa h PHE 615 Ca 0.10 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1dqa h PHE 615 Cb 0.35 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1dqa h PHE 615 CO 0.02 0.57 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 1dqa h ALA 616 N 1.22 0.21 -0.07 2.41 0.00 -0.83 0.79 119.26 122.99 1dqa h ALA 616 Ca 0.24 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1dqa h ALA 616 Cb -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dqa h ALA 616 CO -0.05 -0.42 -0.46 -0.39 0.00 0.00 0.00 179.25 177.94 1dqa h VAL 617 N 0.08 1.33 -0.35 0.00 -1.51 -1.34 -1.29 116.25 113.17 1dqa h VAL 617 Ca 0.11 -1.62 -0.13 0.00 -1.23 0.00 0.00 66.70 63.83 1dqa h VAL 617 Cb 0.14 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1dqa h VAL 617 CO -0.19 0.48 -0.29 0.40 -1.23 0.00 0.00 177.57 176.74 1dqa h ILE 618 N 0.14 1.29 -0.83 7.19 1.08 -1.06 -2.38 117.51 122.94 1dqa h ILE 618 Ca 0.01 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.01 1dqa h ILE 618 Cb 0.87 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 1dqa h ILE 618 CO 0.07 0.48 0.45 0.50 -0.69 0.00 0.00 178.15 178.96 1dqa h LYS 619 N 0.61 1.15 -0.29 2.37 3.64 -0.66 0.47 116.57 123.86 1dqa h LYS 619 Ca 0.06 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1dqa h LYS 619 Cb 0.86 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1dqa h LYS 619 CO 0.07 0.85 0.19 1.49 -2.27 0.00 0.00 179.45 179.78 1dqa h GLU 620 N 1.15 0.37 -0.18 1.90 4.81 -1.07 0.12 114.58 121.68 1dqa h GLU 620 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1dqa h GLU 620 Cb 0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1dqa h GLU 620 CO -0.05 0.25 0.01 0.00 -0.73 0.00 0.00 179.01 178.50 1dqa h ALA 621 N 1.11 0.24 -0.08 2.92 0.00 -1.10 -2.67 119.26 119.68 1dqa h ALA 621 Ca 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1dqa h ALA 621 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1dqa h ALA 621 CO -0.03 -0.07 -0.12 0.35 0.00 0.00 0.00 179.25 179.38 1dqa h PHE 622 N 0.08 -0.31 0.00 0.00 3.57 -0.71 -3.02 116.94 116.56 1dqa h PHE 622 Ca 0.05 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1dqa h PHE 622 Cb 0.35 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1dqa h PHE 622 CO 0.03 -0.18 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.26 1dqa h ASP 623 N -0.17 0.00 0.24 0.41 5.19 -0.77 -3.09 116.42 118.23 1dqa h ASP 623 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1dqa h ASP 623 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1dqa h ASP 623 CO -0.18 0.22 0.00 -1.54 -3.12 0.00 0.00 179.24 174.62 1dqa n SER 624 N -3.68 0.38 -0.21 6.45 3.41 -1.01 -2.19 113.62 116.78 1dqa n SER 624 Ca -0.01 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1dqa n SER 624 Cb 0.34 -0.71 0.44 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.97 0.00 -3.57 6.66 -2.24 -1.17 -4.96 114.28 107.03 1dqa n THR 625 Ca 0.00 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1dqa n THR 625 Cb 0.09 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1dqa n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dqa s SER 626 N -2.50 -0.36 0.14 3.42 0.15 -0.93 -4.95 113.70 108.67 1dqa s SER 626 Ca 0.25 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.01 1dqa s SER 626 Cb 0.19 0.51 0.26 0.00 -1.71 0.00 0.00 66.02 65.27 1dqa s SER 626 CO 0.51 -0.85 1.26 0.03 1.20 0.00 0.00 173.24 175.39 1dqa h ARG 627 N 2.38 0.00 0.00 5.44 -0.00 -1.93 -3.40 114.38 116.87 1dqa h ARG 627 Ca -0.33 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.02 1dqa h ARG 627 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.21 1dqa h ARG 627 CO 0.43 0.00 -1.47 1.19 0.00 0.00 0.00 179.97 180.13 1dqa n PHE 628 N -2.25 0.00 -2.11 3.04 3.01 -1.26 -4.96 117.46 112.93 1dqa n PHE 628 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.06 1dqa n PHE 628 Cb 0.46 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.16 3.07 -0.28 4.37 0.00 -1.26 -4.01 121.76 121.48 1dqa s ALA 629 Ca -0.04 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1dqa s ALA 629 Cb 0.02 -3.93 0.08 0.00 0.00 0.00 0.00 23.12 19.29 1dqa s ALA 629 CO 0.27 -2.30 0.03 1.03 0.00 0.00 0.00 175.76 174.79 1dqa s ARG 630 N 5.12 1.21 0.11 0.00 1.81 -1.13 -4.45 118.95 121.62 1dqa s ARG 630 Ca 0.73 -1.18 -0.34 0.00 -1.72 0.00 0.00 55.73 53.22 1dqa s ARG 630 Cb -0.22 -2.49 -0.13 0.00 -0.45 0.00 0.00 34.95 31.66 1dqa s ARG 630 CO 0.32 -0.81 1.67 -0.11 -0.68 0.00 0.00 175.30 175.68 1dqa n LEU 631 N 4.66 3.27 -0.10 2.53 7.94 -1.26 -1.82 117.00 132.22 1dqa n LEU 631 Ca -0.05 1.05 -0.14 0.00 -1.11 0.00 0.00 56.01 55.77 1dqa n LEU 631 Cb 0.43 -1.43 -0.10 0.00 0.53 0.00 0.00 43.42 42.85 1dqa n LEU 631 CO 0.16 -0.19 -1.17 0.00 -1.11 0.00 0.00 177.39 175.08 1dqa n GLN 632 N 4.29 0.64 -3.74 1.96 1.13 0.10 -4.94 117.38 116.82 1dqa n GLN 632 Ca 0.18 0.10 -0.04 0.00 -1.94 0.00 0.00 57.00 55.31 1dqa n GLN 632 Cb 0.30 -1.42 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 1dqa n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1dqa s LYS 633 N -2.42 1.18 0.02 -1.09 -2.85 -1.06 -5.04 119.74 108.48 1dqa s LYS 633 Ca -0.26 -0.64 0.04 0.00 -1.00 0.00 0.00 55.97 54.11 1dqa s LYS 633 Cb 0.07 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1dqa s LYS 633 CO 0.52 -0.54 -0.13 -0.51 0.10 0.00 0.00 175.35 174.78 1dqa s LEU 634 N -2.91 2.10 -0.22 2.77 1.02 -1.26 -1.48 118.68 118.70 1dqa s LEU 634 Ca 0.12 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1dqa s LEU 634 Cb -0.01 -0.61 0.06 0.00 0.02 0.00 0.00 46.19 45.64 1dqa s LEU 634 CO 0.02 0.08 -0.04 -2.28 0.02 0.00 0.00 176.35 174.14 1dqa s HIS 635 N -0.60 2.14 -0.15 0.29 5.65 -0.58 -4.97 115.29 117.07 1dqa s HIS 635 Ca 0.03 -1.56 -0.04 0.00 0.25 0.00 0.00 55.06 53.75 1dqa s HIS 635 Cb -0.06 -1.48 -0.03 0.00 -1.18 0.00 0.00 32.58 29.82 1dqa s HIS 635 CO 0.00 -0.73 -0.03 0.95 -0.65 0.00 0.00 174.74 174.28 1dqa s THR 636 N 1.48 4.01 -0.00 0.89 -4.23 -1.26 -0.11 115.64 116.42 1dqa s THR 636 Ca -0.04 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1dqa s THR 636 Cb -0.18 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1dqa s THR 636 CO -0.07 0.51 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.90 1dqa s SER 637 N 0.16 0.86 0.24 3.99 0.15 0.18 -4.99 113.70 114.28 1dqa s SER 637 Ca -0.01 -0.14 0.10 0.00 0.70 0.00 0.00 55.95 56.60 1dqa s SER 637 Cb -0.13 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1dqa s SER 637 CO 0.02 0.09 -0.08 0.27 1.20 0.00 0.00 173.24 174.74 1dqa s ILE 638 N -0.18 3.15 -0.36 6.45 -4.36 -1.26 0.02 121.20 124.66 1dqa s ILE 638 Ca 0.03 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1dqa s ILE 638 Cb -0.03 -2.64 0.15 0.00 1.25 0.00 0.00 42.46 41.19 1dqa s ILE 638 CO -0.00 -0.28 0.24 0.00 0.24 0.00 0.00 174.94 175.13 1dqa s ALA 639 N -2.13 1.02 0.00 2.27 0.00 -0.68 -4.99 121.76 117.25 1dqa s ALA 639 Ca 0.29 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1dqa s ALA 639 Cb -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1dqa s ALA 639 CO 0.17 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1dqa n GLY 640 N 3.78 2.54 0.05 0.00 0.00 -1.26 -1.82 105.19 108.47 1dqa n GLY 640 Ca 0.16 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 13.15 0.53 -3.02 1.61 1.85 -1.26 -4.37 116.66 125.15 1dqa n ARG 641 Ca 0.00 -0.09 -0.38 0.00 -1.00 0.00 0.00 57.85 56.38 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 -2.53 7.23 -0.07 2.89 -0.87 -0.76 -1.13 114.94 119.70 1dqa s ASN 642 Ca 0.29 1.56 0.02 0.00 -1.57 0.00 0.00 52.86 53.15 1dqa s ASN 642 Cb 0.20 -2.47 0.02 0.00 -0.02 0.00 0.00 41.25 38.98 1dqa s ASN 642 CO 0.47 0.11 -0.11 -0.22 -2.57 0.00 0.00 177.10 174.78 1dqa s LEU 643 N -1.59 1.56 -0.20 0.60 2.96 0.46 -1.68 118.68 120.80 1dqa s LEU 643 Ca 0.40 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1dqa s LEU 643 Cb -0.20 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1dqa s LEU 643 CO 0.23 0.00 0.02 -0.31 -1.32 0.00 0.00 176.35 174.97 1dqa s TYR 644 N 0.86 3.08 -0.23 5.38 1.51 0.10 -1.14 117.35 126.91 1dqa s TYR 644 Ca -0.11 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1dqa s TYR 644 Cb -0.15 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1dqa s TYR 644 CO 0.01 -0.17 -0.14 0.42 -1.11 0.00 0.00 175.55 174.57 1dqa s ILE 645 N 0.91 2.21 -0.48 2.71 1.01 -1.04 -0.64 121.20 125.88 1dqa s ILE 645 Ca 0.02 -1.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 1dqa s ILE 645 Cb -0.14 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.24 1dqa s ILE 645 CO 0.02 0.22 0.60 -0.60 0.00 0.00 0.00 174.94 175.18 1dqa s ARG 646 N 1.20 3.15 -0.10 2.79 3.52 0.84 -3.26 118.95 127.08 1dqa s ARG 646 Ca -0.02 -0.77 -0.23 0.00 -0.13 0.00 0.00 55.73 54.57 1dqa s ARG 646 Cb -0.17 -4.05 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1dqa s ARG 646 CO -0.08 -1.13 0.69 -0.06 -0.81 0.00 0.00 175.30 173.92 1dqa s PHE 647 N 2.59 3.53 -0.14 5.12 0.40 0.09 -1.53 117.98 128.03 1dqa s PHE 647 Ca 0.16 1.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.69 1dqa s PHE 647 Cb -0.18 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.55 1dqa s PHE 647 CO 0.13 0.02 -0.20 -1.14 0.70 0.00 0.00 175.22 174.73 1dqa s GLN 648 N 1.11 2.85 0.01 0.44 0.74 -0.55 -1.82 119.66 122.44 1dqa s GLN 648 Ca 0.36 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 1dqa s GLN 648 Cb -0.17 -2.34 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 1dqa s GLN 648 CO 0.16 -0.06 0.04 0.45 -0.55 0.00 0.00 175.29 175.34 1dqa s SER 649 N 0.93 0.15 0.85 6.67 0.15 -0.14 0.01 113.70 122.31 1dqa s SER 649 Ca -0.05 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.12 1dqa s SER 649 Cb -0.15 0.14 0.10 0.00 -1.71 0.00 0.00 66.02 64.41 1dqa s SER 649 CO -0.04 -0.33 1.09 -0.13 1.20 0.00 0.00 173.24 175.04 1dqa s ARG 650 N -1.41 1.63 -0.14 5.44 1.81 -0.76 -1.01 118.95 124.51 1dqa s ARG 650 Ca -0.15 0.88 0.13 0.00 -1.72 0.00 0.00 55.73 54.87 1dqa s ARG 650 Cb -0.09 -1.85 0.30 0.00 -0.45 0.00 0.00 34.95 32.86 1dqa s ARG 650 CO 0.00 -2.00 1.21 -1.13 -0.68 0.00 0.00 175.30 172.70 1dqa n SER 651 N -3.73 -0.26 0.00 0.23 3.41 -1.26 -2.84 113.62 109.18 1dqa n SER 651 Ca 0.07 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1dqa n SER 651 Cb 0.55 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.45 2.81 0.42 5.00 0.00 -1.26 -1.83 105.19 109.88 1dqa n GLY 652 Ca -0.12 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.57 1.34 -4.86 1.61 8.00 -1.26 -3.97 116.55 118.98 1dqa n ASP 653 Ca 0.00 -1.40 -0.32 0.00 0.71 0.00 0.00 54.79 53.78 1dqa n ASP 653 Cb 0.00 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.04 3.26 0.36 2.24 0.00 -0.76 0.04 121.76 124.86 1dqa s ALA 654 Ca 0.38 0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.40 1dqa s ALA 654 Cb 0.21 -2.84 0.67 0.00 0.00 0.00 0.00 23.12 21.16 1dqa s ALA 654 CO 0.35 0.08 1.89 1.98 0.00 0.00 0.00 175.76 180.06 1dqa h MET 655 N 1.59 0.43 0.00 0.00 4.05 -1.75 -3.44 114.93 115.80 1dqa h MET 655 Ca -0.47 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 1dqa h MET 655 Cb 1.18 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1dqa h MET 655 CO 0.64 0.49 0.00 0.41 0.23 0.00 0.00 176.91 178.67 1dqa n GLY 656 N -0.89 0.77 0.19 1.39 0.00 -1.26 -4.74 105.19 100.65 1dqa n GLY 656 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1dqa n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1dqa h MET 657 N 3.49 0.39 0.01 1.61 2.86 -1.95 0.42 114.93 121.76 1dqa h MET 657 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1dqa h MET 657 Cb 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1dqa h MET 657 CO 0.00 0.26 -0.01 -0.91 1.06 0.00 0.00 176.91 177.31 1dqa h ASN 658 N 0.40 -0.02 -0.39 1.22 2.35 -1.99 -0.52 115.58 116.64 1dqa h ASN 658 Ca 0.21 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1dqa h ASN 658 Cb 0.16 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1dqa h ASN 658 CO -0.18 0.26 0.07 -0.03 -1.65 0.00 0.00 177.43 175.90 1dqa h MET 659 N -0.29 0.19 -0.30 0.81 4.05 -1.92 -0.95 114.93 116.52 1dqa h MET 659 Ca -0.00 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 1dqa h MET 659 Cb 0.28 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1dqa h MET 659 CO 0.00 0.12 -0.24 0.82 0.23 0.00 0.00 176.91 177.84 1dqa h ILE 660 N 0.19 1.27 -0.61 1.77 5.03 -0.14 -2.01 117.51 123.02 1dqa h ILE 660 Ca 0.19 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.56 1dqa h ILE 660 Cb 0.23 1.31 -0.02 0.00 -3.03 0.00 0.00 36.82 35.31 1dqa h ILE 660 CO -0.26 0.42 0.09 0.28 -0.68 0.00 0.00 178.15 178.00 1dqa h SER 661 N 0.51 0.97 -0.37 1.72 0.02 -0.60 -0.08 113.55 115.73 1dqa h SER 661 Ca 0.07 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1dqa h SER 661 Cb 0.70 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1dqa h SER 661 CO 0.05 0.99 0.08 0.50 -1.14 0.00 0.00 176.83 177.32 1dqa h LYS 662 N 0.92 0.59 -0.78 3.45 3.64 -1.05 -0.74 116.57 122.60 1dqa h LYS 662 Ca 0.18 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1dqa h LYS 662 Cb 0.44 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1dqa h LYS 662 CO 0.01 0.64 0.33 0.78 -2.27 0.00 0.00 179.45 178.94 1dqa h GLY 663 N 0.44 1.24 0.98 5.01 0.00 -1.19 -2.45 103.07 107.11 1dqa h GLY 663 Ca 0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1dqa h GLY 663 CO 0.00 0.62 0.19 -0.84 0.00 0.00 0.00 176.54 176.52 1dqa h THR 664 N 1.13 1.23 -0.91 4.70 2.02 -0.63 -0.09 112.91 120.36 1dqa h THR 664 Ca 0.26 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1dqa h THR 664 Cb 0.19 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1dqa h THR 664 CO -0.02 0.28 0.54 -0.08 0.37 0.00 0.00 175.52 176.60 1dqa h GLU 665 N 0.73 1.24 -0.25 6.66 4.81 -0.91 0.11 114.58 126.97 1dqa h GLU 665 Ca 0.18 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 1dqa h GLU 665 Cb 0.24 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1dqa h GLU 665 CO -0.01 0.87 -0.59 -0.22 -0.73 0.00 0.00 179.01 178.34 1dqa h LYS 666 N 1.26 0.81 -0.59 1.92 3.64 -1.14 -2.08 116.57 120.38 1dqa h LYS 666 Ca 0.33 -0.54 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1dqa h LYS 666 Cb -0.04 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1dqa h LYS 666 CO -0.06 1.16 0.10 0.00 -2.27 0.00 0.00 179.45 178.39 1dqa h ALA 667 N 0.72 1.07 -0.41 5.00 0.00 -0.56 -1.56 119.26 123.51 1dqa h ALA 667 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1dqa h ALA 667 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1dqa h ALA 667 CO 0.13 0.61 -0.22 -0.07 0.00 0.00 0.00 179.25 179.70 1dqa h LEU 668 N 0.90 0.84 -0.74 0.00 3.38 -0.73 -0.34 115.31 118.61 1dqa h LEU 668 Ca 0.19 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1dqa h LEU 668 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1dqa h LEU 668 CO 0.01 1.03 0.41 -1.28 0.09 0.00 0.00 178.44 178.69 1dqa h SER 669 N 0.72 0.93 -0.43 -0.43 0.87 -1.03 0.12 113.55 114.30 1dqa h SER 669 Ca 0.10 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1dqa h SER 669 Cb 0.74 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1dqa h SER 669 CO 0.06 0.75 -0.13 0.50 -0.53 0.00 0.00 176.83 177.48 1dqa h LYS 670 N 1.03 0.85 -0.57 2.24 1.63 -1.04 -2.76 116.57 117.93 1dqa h LYS 670 Ca 0.26 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 1dqa h LYS 670 Cb 0.03 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1dqa h LYS 670 CO -0.04 0.97 0.25 1.25 -3.45 0.00 0.00 179.45 178.43 1dqa h LEU 671 N 0.67 0.74 -1.44 5.20 5.85 -0.62 -2.02 115.31 123.70 1dqa h LEU 671 Ca 0.10 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1dqa h LEU 671 Cb 0.68 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1dqa h LEU 671 CO 0.05 0.65 -0.26 -0.74 -0.34 0.00 0.00 178.44 177.79 1dqa h HIS 672 N 0.81 0.04 -0.15 1.25 2.76 -0.77 -0.09 115.15 119.00 1dqa h HIS 672 Ca 0.20 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1dqa h HIS 672 Cb 0.12 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1dqa h HIS 672 CO 0.01 0.29 -0.28 0.93 -1.30 0.00 0.00 177.93 177.58 1dqa h GLU 673 N 0.03 0.28 0.07 5.26 5.08 -1.09 -0.91 114.58 123.30 1dqa h GLU 673 Ca 0.00 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1dqa h GLU 673 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1dqa h GLU 673 CO 0.03 0.54 -1.11 1.88 -1.00 0.00 0.00 179.01 179.35 1dqa h TYR 674 N 0.25 0.37 -2.74 4.33 -1.99 -1.10 -3.39 116.97 112.69 1dqa h TYR 674 Ca 0.04 -0.25 -0.61 0.00 2.00 0.00 0.00 58.73 59.91 1dqa h TYR 674 Cb 0.63 -0.02 -0.40 0.00 2.00 0.00 0.00 36.73 38.94 1dqa h TYR 674 CO 0.01 1.17 -0.76 -0.06 -0.00 0.00 0.00 178.16 178.51 1dqa s PHE 675 N -2.79 2.39 0.59 4.88 0.40 -0.15 -4.98 117.98 118.31 1dqa s PHE 675 Ca -0.03 -2.85 0.29 0.00 -0.60 0.00 0.00 56.93 53.73 1dqa s PHE 675 Cb 0.08 -1.85 1.59 0.00 0.51 0.00 0.00 43.02 43.35 1dqa s PHE 675 CO 0.86 -0.68 2.03 -1.00 0.70 0.00 0.00 175.22 177.13 1dqa h PRO 676 N 5.52 0.00 0.00 0.24 0.13 -1.39 -1.15 132.00 135.34 1dqa h PRO 676 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1dqa h PRO 676 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1dqa h PRO 676 CO 0.55 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 1dqa n GLU 677 N -3.78 0.06 -2.38 0.86 1.02 -1.26 -4.83 120.64 110.34 1dqa n GLU 677 Ca 0.04 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 1dqa n GLU 677 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1dqa n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1dqa s MET 678 N -2.92 4.40 -0.22 3.49 1.75 -0.44 -4.49 119.30 120.88 1dqa s MET 678 Ca 0.14 1.82 -0.10 0.00 -1.25 0.00 0.00 55.69 56.30 1dqa s MET 678 Cb 0.16 -3.35 -0.05 0.00 2.84 0.00 0.00 34.83 34.43 1dqa s MET 678 CO 0.43 -0.31 0.14 -1.14 -0.65 0.00 0.00 175.02 173.49 1dqa s GLN 679 N 1.17 4.12 -0.48 4.11 0.74 0.80 -4.94 119.66 125.18 1dqa s GLN 679 Ca 0.60 -0.25 -0.22 0.00 0.05 0.00 0.00 55.36 55.53 1dqa s GLN 679 Cb -0.30 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.37 1dqa s GLN 679 CO 0.29 0.18 0.77 0.42 -0.55 0.00 0.00 175.29 176.40 1dqa s ILE 680 N 0.70 4.65 -0.14 -2.34 1.01 -1.26 -0.76 121.20 123.05 1dqa s ILE 680 Ca 0.08 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 1dqa s ILE 680 Cb -0.12 -4.35 -0.25 0.00 0.01 0.00 0.00 42.46 37.74 1dqa s ILE 680 CO 0.01 -0.82 0.63 0.25 0.00 0.00 0.00 174.94 175.02 1dqa h LEU 681 N 10.20 0.08 -7.20 2.97 5.85 -1.77 -3.48 115.31 121.96 1dqa h LEU 681 Ca -0.26 -0.87 -0.09 0.00 0.84 0.00 0.00 57.88 57.51 1dqa h LEU 681 Cb 1.09 -0.02 -0.24 0.00 0.37 0.00 0.00 40.66 41.85 1dqa h LEU 681 CO 0.98 1.20 -0.18 0.00 -0.34 0.00 0.00 178.44 180.11 1dqa s ALA 682 N -2.29 -1.23 0.47 1.25 0.00 -0.98 -5.01 121.76 113.97 1dqa s ALA 682 Ca -0.21 1.55 0.18 0.00 0.00 0.00 0.00 51.96 53.48 1dqa s ALA 682 Cb 0.00 -0.92 1.19 0.00 0.00 0.00 0.00 23.12 23.40 1dqa s ALA 682 CO 0.69 -0.26 2.06 -0.24 0.00 0.00 0.00 175.76 178.00 1dqa h VAL 683 N 4.84 0.97 -3.64 0.00 3.04 -1.93 -1.68 116.25 117.86 1dqa h VAL 683 Ca -0.31 -0.43 -0.66 0.00 -1.01 0.00 0.00 66.70 64.29 1dqa h VAL 683 Cb 1.18 1.24 -0.37 0.00 -2.01 0.00 0.00 31.29 31.34 1dqa h VAL 683 CO 0.23 0.12 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.54 1dqa s SER 684 N -6.82 4.01 -0.28 3.17 0.15 -1.26 -2.80 113.70 109.86 1dqa s SER 684 Ca -0.04 -1.17 0.11 0.00 0.70 0.00 0.00 55.95 55.55 1dqa s SER 684 Cb 0.16 -1.47 0.63 0.00 -1.71 0.00 0.00 66.02 63.63 1dqa s SER 684 CO 0.66 -0.15 1.63 0.61 1.20 0.00 0.00 173.24 177.19 1dqa n GLY 685 N 4.52 4.09 2.41 9.45 0.00 0.88 -4.73 105.19 121.80 1dqa n GLY 685 Ca -0.15 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.52 -4.51 -1.26 1.61 4.13 -1.23 -4.79 115.26 108.69 1dqa n ASN 686 Ca 0.34 0.22 0.12 0.00 1.68 0.00 0.00 54.58 56.94 1dqa n ASN 686 Cb 1.18 -2.78 0.27 0.00 -1.54 0.00 0.00 39.78 36.91 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 -2.59 0.73 0.35 3.10 9.36 -1.15 -4.60 117.16 122.35 1dqa n TYR 687 Ca -0.09 -0.37 -0.14 0.00 3.32 0.00 0.00 57.90 60.62 1dqa n TYR 687 Cb 0.36 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.01 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 -4.71 3.82 -0.24 0.00 2.01 -1.26 -4.69 115.64 110.56 1dqa s THR 689 Ca -0.13 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1dqa s THR 689 Cb 0.01 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1dqa s THR 689 CO 0.40 0.57 0.10 -0.62 -0.69 0.00 0.00 174.62 174.38 1dqa s ASP 690 N -0.47 5.53 -1.89 3.53 2.15 -1.26 -4.65 116.67 119.61 1dqa s ASP 690 Ca 0.07 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1dqa s ASP 690 Cb -0.12 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1dqa s ASP 690 CO 0.02 0.02 0.00 0.29 -0.17 0.00 0.00 175.17 175.34 1dqa n LYS 691 N 4.54 -1.39 -3.99 4.34 5.02 -1.26 -4.99 118.16 120.43 1dqa n LYS 691 Ca -0.16 1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 57.10 1dqa n LYS 691 Cb 0.52 -5.48 -0.13 0.00 -0.02 0.00 0.00 35.03 29.92 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 -4.05 0.23 0.37 1.97 3.01 -1.26 -4.95 119.74 115.05 1dqa s LYS 692 Ca 0.00 -0.24 -0.28 0.00 -1.01 0.00 0.00 55.97 54.44 1dqa s LYS 692 Cb 0.00 -0.13 -0.10 0.00 -1.01 0.00 0.00 37.83 36.59 1dqa s LYS 692 CO 0.00 0.03 1.40 -1.25 0.51 0.00 0.00 175.35 176.04 1dqa s PRO 693 N -0.46 4.17 -0.28 -1.68 0.04 -1.26 -4.77 135.00 130.76 1dqa s PRO 693 Ca -0.03 2.39 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 1dqa s PRO 693 Cb -0.03 -2.97 0.09 0.00 0.04 0.00 0.00 34.50 31.62 1dqa s PRO 693 CO -0.00 -0.41 0.70 0.00 0.04 0.00 0.00 177.00 177.33 1dqa s ALA 694 N -1.15 -1.92 0.52 8.56 0.00 -1.26 -5.03 121.76 121.49 1dqa s ALA 694 Ca 0.52 2.41 0.21 0.00 0.00 0.00 0.00 51.96 55.09 1dqa s ALA 694 Cb -0.43 -1.48 1.33 0.00 0.00 0.00 0.00 23.12 22.54 1dqa s ALA 694 CO 0.58 -0.44 2.07 0.00 0.00 0.00 0.00 175.76 177.97 1dqa h ALA 695 N 7.06 2.25 -0.60 0.00 0.00 -1.94 -2.48 119.26 123.55 1dqa h ALA 695 Ca -0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dqa h ALA 695 Cb 1.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1dqa h ALA 695 CO 0.16 -0.33 0.35 0.97 0.00 0.00 0.00 179.25 180.40 1dqa h ILE 696 N 0.01 1.18 -0.36 0.00 2.10 -1.97 -0.42 117.51 118.03 1dqa h ILE 696 Ca 0.13 -0.41 -0.13 0.00 1.08 0.00 0.00 64.86 65.53 1dqa h ILE 696 Cb 0.51 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.57 1dqa h ILE 696 CO -0.00 0.19 -0.30 0.78 -1.08 0.00 0.00 178.15 177.74 1dqa h ASN 697 N 0.83 0.88 -0.44 2.19 2.35 -1.72 0.51 115.58 120.19 1dqa h ASN 697 Ca 0.22 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1dqa h ASN 697 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1dqa h ASN 697 CO -0.04 1.15 0.21 -0.25 -1.65 0.00 0.00 177.43 176.85 1dqa h TRP 698 N 0.63 0.63 0.20 1.19 2.91 -1.36 -0.45 115.95 119.69 1dqa h TRP 698 Ca 0.07 -0.03 -0.34 0.00 1.13 0.00 0.00 58.89 59.72 1dqa h TRP 698 Cb 0.87 -0.19 0.02 0.00 -0.51 0.00 0.00 29.16 29.35 1dqa h TRP 698 CO 0.06 0.51 -1.60 0.82 -1.03 0.00 0.00 178.44 177.20 1dqa h ILE 699 N 0.56 1.11 0.00 2.65 2.04 -1.05 -3.38 117.51 119.45 1dqa h ILE 699 Ca 0.15 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1dqa h ILE 699 Cb 0.11 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1dqa h ILE 699 CO -0.02 0.84 -1.37 -0.62 0.00 0.00 0.00 178.15 176.98 1dqa n GLU 700 N -3.61 0.30 0.00 2.37 1.02 0.16 -5.10 120.64 115.79 1dqa n GLU 700 Ca -0.20 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1dqa n GLU 700 Cb 1.08 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 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 1.39 -1.63 3.47 0.62 0.00 -0.18 -5.03 105.19 103.83 1dqa n GLY 701 Ca 0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.04 0.58 6.76 1.61 3.52 -1.04 -4.71 118.95 122.64 1dqa s ARG 702 Ca 0.00 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1dqa s ARG 702 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1dqa s ARG 702 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1dqa n GLY 703 N 3.97 1.52 3.74 8.12 0.00 -0.18 -2.98 105.19 119.37 1dqa n GLY 703 Ca -0.20 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 4.15 -0.21 1.61 1.02 0.39 -0.44 119.74 126.26 1dqa s LYS 704 Ca 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 1dqa s LYS 704 Cb 0.00 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1dqa s LYS 704 CO 0.00 0.33 0.07 -1.12 -0.92 0.00 0.00 175.35 173.70 1dqa s SER 705 N 0.28 5.43 0.05 2.83 0.01 -0.51 -0.99 113.70 120.80 1dqa s SER 705 Ca 0.09 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1dqa s SER 705 Cb -0.11 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1dqa s SER 705 CO -0.01 0.09 -0.08 -0.69 0.41 0.00 0.00 173.24 172.96 1dqa s VAL 706 N 0.88 0.56 0.03 3.43 1.01 0.46 0.51 120.40 127.28 1dqa s VAL 706 Ca 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1dqa s VAL 706 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1dqa s VAL 706 CO 0.03 -0.40 -0.13 0.54 0.00 0.00 0.00 175.10 175.14 1dqa s VAL 707 N -1.49 1.00 0.02 2.92 0.11 -0.73 -0.83 120.40 121.41 1dqa s VAL 707 Ca -0.09 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1dqa s VAL 707 Cb -0.09 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1dqa s VAL 707 CO 0.00 0.02 -0.02 0.00 -3.33 0.00 0.00 175.10 171.77 1dqa s GLU 709 N -1.66 1.03 0.16 0.00 -1.05 -0.32 -1.17 118.70 115.69 1dqa s GLU 709 Ca -0.14 -0.58 -0.23 0.00 -0.15 0.00 0.00 54.97 53.87 1dqa s GLU 709 Cb -0.08 0.46 0.07 0.00 -0.44 0.00 0.00 34.13 34.13 1dqa s GLU 709 CO -0.02 -0.39 0.66 0.00 0.95 0.00 0.00 175.26 176.46 1dqa s ALA 710 N -3.36 -1.57 -0.14 -0.84 0.00 -0.65 -1.45 121.76 113.76 1dqa s ALA 710 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1dqa s ALA 710 Cb 0.01 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1dqa s ALA 710 CO -0.09 -0.81 -0.19 0.08 0.00 0.00 0.00 175.76 174.76 1dqa s VAL 711 N -3.69 1.85 -0.24 0.00 1.01 -1.26 -1.36 120.40 116.70 1dqa s VAL 711 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1dqa s VAL 711 Cb -0.02 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1dqa s VAL 711 CO -0.09 0.51 0.12 -0.63 0.00 0.00 0.00 175.10 175.00 1dqa s ILE 712 N 0.98 4.86 0.47 2.22 -1.09 0.44 -4.54 121.20 124.54 1dqa s ILE 712 Ca -0.04 0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.14 1dqa s ILE 712 Cb -0.15 -3.27 -0.08 0.00 -1.58 0.00 0.00 42.46 37.39 1dqa s ILE 712 CO -0.04 0.34 1.41 -2.65 -1.23 0.00 0.00 174.94 172.77 1dqa n PRO 713 N 4.55 2.12 -0.26 2.79 -0.02 -1.26 -0.79 135.00 142.12 1dqa n PRO 713 Ca -0.15 0.76 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 1dqa n PRO 713 Cb 0.52 -2.61 0.21 0.00 -0.02 0.00 0.00 33.50 31.60 1dqa n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dqa h ALA 714 N 2.10 1.01 -0.06 3.55 0.00 -1.92 -0.47 119.26 123.47 1dqa h ALA 714 Ca -0.51 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1dqa h ALA 714 Cb 1.28 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1dqa h ALA 714 CO 0.60 -0.39 -0.14 1.57 0.00 0.00 0.00 179.25 180.89 1dqa h LYS 715 N 0.22 0.09 0.00 0.00 2.10 -1.91 -2.05 116.57 115.03 1dqa h LYS 715 Ca 0.45 -0.02 -0.24 0.00 -2.00 0.00 0.00 60.65 58.85 1dqa h LYS 715 Cb 0.82 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 32.15 1dqa h LYS 715 CO -0.58 0.24 -0.93 0.28 -2.00 0.00 0.00 179.45 176.46 1dqa h VAL 716 N 0.09 1.32 -0.71 0.07 2.07 -1.48 0.19 116.25 117.79 1dqa h VAL 716 Ca 0.02 -2.20 0.03 0.00 0.82 0.00 0.00 66.70 65.36 1dqa h VAL 716 Cb 0.31 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 1dqa h VAL 716 CO 0.02 0.67 0.45 0.58 0.02 0.00 0.00 177.57 179.31 1dqa h VAL 717 N 0.26 1.10 0.23 2.57 2.07 -0.98 0.73 116.25 122.23 1dqa h VAL 717 Ca -0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1dqa h VAL 717 Cb 1.60 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1dqa h VAL 717 CO 0.18 0.16 -0.11 -0.09 0.02 0.00 0.00 177.57 177.73 1dqa h ARG 718 N 0.88 -0.30 -0.04 1.57 2.43 -1.33 -2.11 114.38 115.49 1dqa h ARG 718 Ca 0.28 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.27 1dqa h ARG 718 Cb 0.01 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1dqa h ARG 718 CO -0.11 0.08 -0.77 0.93 -1.51 0.00 0.00 179.97 178.60 1dqa h GLU 719 N -0.80 0.58 0.02 0.20 5.08 -0.55 -2.23 114.58 116.88 1dqa h GLU 719 Ca -0.03 -0.58 -0.23 0.00 -1.00 0.00 0.00 59.36 57.52 1dqa h GLU 719 Cb 0.51 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1dqa h GLU 719 CO 0.05 1.20 -1.26 0.28 -1.00 0.00 0.00 179.01 178.27 1dqa h VAL 720 N 0.19 0.94 -0.00 3.13 2.07 -1.06 -3.39 116.25 118.13 1dqa h VAL 720 Ca -0.09 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1dqa h VAL 720 Cb 1.44 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1dqa h VAL 720 CO 0.15 0.40 -0.14 0.18 0.02 0.00 0.00 177.57 178.19 1dqa n LEU 721 N -4.33 0.42 -3.89 2.57 4.77 -0.93 -4.97 117.00 110.65 1dqa n LEU 721 Ca -0.30 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.44 1dqa n LEU 721 Cb 0.72 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1dqa n LEU 721 CO 0.23 0.08 0.12 0.29 -1.33 0.00 0.00 177.39 176.79 1dqa n LYS 722 N -1.07 -5.78 0.00 3.23 4.76 -0.83 -4.66 118.16 113.81 1dqa n LYS 722 Ca 0.13 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1dqa n LYS 722 Cb 0.29 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 27.95 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 -4.72 0.00 -4.28 -0.18 5.66 -0.98 -4.76 114.28 105.02 1dqa n THR 723 Ca 0.04 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.89 1dqa n THR 723 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.34 1.21 0.21 1.09 -4.23 -1.26 -3.54 115.64 106.78 1dqa s THR 724 Ca 0.00 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 1dqa s THR 724 Cb 0.00 -1.98 0.11 0.00 1.34 0.00 0.00 72.50 71.97 1dqa s THR 724 CO 0.00 -0.64 1.71 0.74 -0.54 0.00 0.00 174.62 175.89 1dqa h THR 725 N 2.69 1.26 -0.40 3.99 2.02 -1.93 -2.12 112.91 118.42 1dqa h THR 725 Ca -0.37 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1dqa h THR 725 Cb 1.20 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1dqa h THR 725 CO 0.64 0.38 0.22 -0.08 0.37 0.00 0.00 175.52 177.05 1dqa h GLU 726 N 1.00 0.56 -0.68 6.66 4.81 -1.92 -1.50 114.58 123.51 1dqa h GLU 726 Ca 0.20 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1dqa h GLU 726 Cb 0.42 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1dqa h GLU 726 CO 0.01 0.45 0.19 0.00 -0.73 0.00 0.00 179.01 178.93 1dqa h ALA 727 N 1.08 1.06 -0.02 2.92 0.00 -1.94 -1.59 119.26 120.76 1dqa h ALA 727 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dqa h ALA 727 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1dqa h ALA 727 CO -0.02 0.63 0.01 0.52 0.00 0.00 0.00 179.25 180.39 1dqa h MET 728 N 1.01 0.03 -0.75 0.00 2.86 -1.08 -0.70 114.93 116.30 1dqa h MET 728 Ca 0.22 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1dqa h MET 728 Cb 0.32 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1dqa h MET 728 CO -0.00 0.09 0.40 0.82 1.06 0.00 0.00 176.91 179.27 1dqa h ILE 729 N -0.04 1.23 -0.43 -1.22 2.04 -1.13 0.11 117.51 118.07 1dqa h ILE 729 Ca 0.01 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1dqa h ILE 729 Cb 0.07 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1dqa h ILE 729 CO -0.00 0.26 0.05 -0.08 0.00 0.00 0.00 178.15 178.37 1dqa h GLU 730 N 1.04 0.74 -0.45 2.37 4.57 -1.10 -0.66 114.58 121.09 1dqa h GLU 730 Ca 0.26 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1dqa h GLU 730 Cb 0.05 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1dqa h GLU 730 CO -0.04 0.78 -0.00 0.28 -1.18 0.00 0.00 179.01 178.85 1dqa h VAL 731 N 0.59 1.26 -0.51 0.32 2.07 -0.81 -2.23 116.25 116.93 1dqa h VAL 731 Ca 0.13 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1dqa h VAL 731 Cb 0.42 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1dqa h VAL 731 CO 0.01 0.36 0.34 -1.13 0.02 0.00 0.00 177.57 177.17 1dqa h ASN 732 N 0.64 0.59 -0.31 0.57 -1.24 -0.44 0.78 115.58 116.17 1dqa h ASN 732 Ca 0.13 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 1dqa h ASN 732 Cb 0.50 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1dqa h ASN 732 CO 0.02 0.43 -0.11 0.40 -1.29 0.00 0.00 177.43 176.88 1dqa h ILE 733 N 0.69 1.29 0.00 2.57 2.04 -1.12 -0.57 117.51 122.41 1dqa h ILE 733 Ca 0.19 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1dqa h ILE 733 Cb -0.08 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1dqa h ILE 733 CO -0.04 0.38 0.00 0.78 0.00 0.00 0.00 178.15 179.27 1dqa h ASN 734 N 0.40 0.00 0.00 1.72 2.35 -1.17 -0.36 115.58 118.51 1dqa h ASN 734 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1dqa h ASN 734 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1dqa h ASN 734 CO 0.04 0.00 -0.86 1.17 -1.65 0.00 0.00 177.43 176.13 1dqa n LYS 735 N -2.82 0.45 0.23 0.81 4.81 0.25 -1.66 118.16 120.23 1dqa n LYS 735 Ca 0.04 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.77 1dqa n LYS 735 Cb 0.49 -1.29 0.49 0.00 0.02 0.00 0.00 35.03 34.73 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 -0.86 0.00 0.00 3.14 2.35 -1.25 -1.87 115.58 117.09 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 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1dqa h ASN 736 CO 0.00 0.20 -0.27 0.18 -1.65 0.00 0.00 177.43 175.89 1dqa n LEU 737 N -3.37 0.66 0.01 1.61 4.77 -1.02 -4.28 117.00 115.37 1dqa n LEU 737 Ca 0.00 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1dqa n LEU 737 Cb 0.41 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1dqa n LEU 737 CO 0.33 -0.47 0.80 0.58 -1.33 0.00 0.00 177.39 177.30 1dqa h VAL 738 N -0.27 1.14 -0.39 4.08 2.07 -1.23 -1.05 116.25 120.61 1dqa h VAL 738 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1dqa h VAL 738 Cb 0.27 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1dqa h VAL 738 CO 0.00 0.12 0.25 1.23 0.02 0.00 0.00 177.57 179.19 1dqa h GLY 739 N -0.11 0.55 1.55 2.17 0.00 -0.94 0.15 103.07 106.44 1dqa h GLY 739 Ca 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1dqa h GLY 739 CO -0.00 0.20 -0.01 1.76 0.00 0.00 0.00 176.54 178.50 1dqa h SER 740 N 0.52 0.53 -0.61 0.19 0.02 -1.32 -1.53 113.55 111.35 1dqa h SER 740 Ca 0.14 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1dqa h SER 740 Cb -0.05 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1dqa h SER 740 CO -0.03 0.60 0.07 0.00 -1.14 0.00 0.00 176.83 176.34 1dqa h ALA 741 N 1.46 0.81 -0.58 3.77 0.00 -0.56 -1.60 119.26 122.56 1dqa h ALA 741 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1dqa h ALA 741 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1dqa h ALA 741 CO 0.01 0.59 0.28 0.52 0.00 0.00 0.00 179.25 180.66 1dqa h MET 742 N 0.93 0.82 0.00 0.00 2.86 -0.27 -2.16 114.93 117.10 1dqa h MET 742 Ca 0.18 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1dqa h MET 742 Cb 0.46 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1dqa h MET 742 CO 0.02 0.63 0.00 0.00 1.06 0.00 0.00 176.91 178.62 1dqa n ALA 743 N -2.45 2.35 -2.78 6.32 0.00 -0.64 -4.93 120.51 118.38 1dqa n ALA 743 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1dqa n ALA 743 Cb 0.13 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.16 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 1.16 0.22 3.84 0.00 0.00 -0.81 -5.02 105.19 104.56 1dqa n GLY 744 Ca 0.11 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.35 6.89 -0.29 1.61 0.15 -0.63 -5.05 113.70 113.03 1dqa s SER 745 Ca 0.12 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.99 1dqa s SER 745 Cb -0.05 -2.33 0.08 0.00 -1.71 0.00 0.00 66.02 62.00 1dqa s SER 745 CO 0.31 0.06 -0.04 -0.63 1.20 0.00 0.00 173.24 174.14 1dqa s ILE 746 N -1.52 2.11 0.00 6.45 -1.09 -1.26 -4.69 121.20 121.19 1dqa s ILE 746 Ca 0.41 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 1dqa s ILE 746 Cb -0.15 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1dqa s ILE 746 CO 0.20 -0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 1dqa n GLY 747 N 4.40 1.12 2.90 6.18 0.00 -1.26 -4.93 105.19 113.60 1dqa n GLY 747 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 5.56 2.63 -0.02 0.00 -1.26 -1.57 105.19 108.53 1dqa n GLY 748 Ca 0.00 -2.49 -0.35 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.52 2.31 -4.00 1.61 4.02 -0.87 -4.82 117.16 114.89 1dqa n TYR 749 Ca 0.53 -2.28 -0.09 0.00 -0.01 0.00 0.00 57.90 56.05 1dqa n TYR 749 Cb 0.24 -1.38 -0.05 0.00 -0.02 0.00 0.00 39.34 38.12 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 -0.27 -0.08 -0.13 7.72 2.20 -1.22 -1.05 114.94 122.10 1dqa s ASN 750 Ca 0.54 -0.94 -0.10 0.00 -0.94 0.00 0.00 52.86 51.41 1dqa s ASN 750 Cb 0.34 0.58 -0.08 0.00 -2.00 0.00 0.00 41.25 40.09 1dqa s ASN 750 CO -0.24 -1.12 0.11 0.00 -2.94 0.00 0.00 177.10 172.90 1dqa h ALA 751 N 2.27 0.03 -0.19 3.54 0.00 -1.93 -3.46 119.26 119.53 1dqa h ALA 751 Ca -0.27 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 1dqa h ALA 751 Cb 1.25 0.24 -0.22 0.00 0.00 0.00 0.00 17.79 19.06 1dqa h ALA 751 CO 0.36 0.23 -0.54 -2.39 0.00 0.00 0.00 179.25 176.91 1dqa n HIS 752 N -4.66 -1.24 -0.28 0.00 1.44 -1.26 -4.95 115.22 104.27 1dqa n HIS 752 Ca -0.08 -1.97 0.14 0.00 -2.01 0.00 0.00 57.72 53.80 1dqa n HIS 752 Cb 0.24 1.05 0.40 0.00 0.12 0.00 0.00 29.99 31.80 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 1.78 1.90 -0.52 1.59 0.00 -1.89 -1.12 119.26 121.01 1dqa h ALA 753 Ca -0.31 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1dqa h ALA 753 Cb 1.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1dqa h ALA 753 CO -0.02 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.41 1dqa h ALA 754 N 1.61 1.93 -0.24 0.00 0.00 -1.93 -0.90 119.26 119.73 1dqa h ALA 754 Ca 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1dqa h ALA 754 Cb 0.86 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dqa h ALA 754 CO -0.22 -0.02 0.08 -0.91 0.00 0.00 0.00 179.25 178.18 1dqa h ASN 755 N 0.43 0.34 0.15 0.00 2.35 -1.61 -0.42 115.58 116.84 1dqa h ASN 755 Ca 0.23 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1dqa h ASN 755 Cb 0.34 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1dqa h ASN 755 CO -0.06 0.44 -0.07 0.40 -1.65 0.00 0.00 177.43 176.49 1dqa h ILE 756 N 0.22 0.99 -0.40 2.81 1.08 -1.48 -2.43 117.51 118.29 1dqa h ILE 756 Ca 0.08 -0.74 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 1dqa h ILE 756 Cb 0.22 1.43 -0.08 0.00 -3.07 0.00 0.00 36.82 35.32 1dqa h ILE 756 CO -0.00 0.17 -0.14 0.58 -0.69 0.00 0.00 178.15 178.07 1dqa h VAL 757 N -0.57 0.53 -0.60 1.67 2.07 -1.22 -1.44 116.25 116.69 1dqa h VAL 757 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1dqa h VAL 757 Cb 0.43 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1dqa h VAL 757 CO 0.03 0.00 0.35 0.74 0.02 0.00 0.00 177.57 178.72 1dqa h THR 758 N -0.05 1.18 -0.59 2.57 2.02 -1.08 0.00 112.91 116.96 1dqa h THR 758 Ca 0.20 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1dqa h THR 758 Cb 0.35 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1dqa h THR 758 CO -0.44 0.19 0.02 0.00 0.37 0.00 0.00 175.52 175.66 1dqa h ALA 759 N 1.18 0.79 -0.28 6.16 0.00 -1.12 -1.36 119.26 124.63 1dqa h ALA 759 Ca 0.21 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1dqa h ALA 759 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1dqa h ALA 759 CO -0.04 0.61 -0.51 0.82 0.00 0.00 0.00 179.25 180.13 1dqa h ILE 760 N 0.92 1.29 -0.47 0.00 2.04 -1.11 -0.78 117.51 119.40 1dqa h ILE 760 Ca 0.17 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1dqa h ILE 760 Cb 0.53 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1dqa h ILE 760 CO 0.03 0.55 0.26 1.88 0.00 0.00 0.00 178.15 180.87 1dqa h TYR 761 N 0.61 0.65 -0.46 1.37 -1.99 -0.80 0.56 116.97 116.91 1dqa h TYR 761 Ca 0.02 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1dqa h TYR 761 Cb 1.10 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1dqa h TYR 761 CO 0.06 0.48 -0.15 0.82 -0.00 0.00 0.00 178.16 179.37 1dqa h ILE 762 N 0.63 1.27 -0.31 -2.88 2.04 -1.26 -0.21 117.51 116.78 1dqa h ILE 762 Ca 0.17 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1dqa h ILE 762 Cb 0.05 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1dqa h ILE 762 CO -0.03 0.44 -0.15 0.00 0.00 0.00 0.00 178.15 178.42 1dqa h ALA 763 N 0.86 1.17 -0.57 1.87 0.00 -1.20 -3.26 119.26 118.14 1dqa h ALA 763 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dqa h ALA 763 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dqa h ALA 763 CO 0.05 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1dqa n GLY 765 N 0.64 1.21 3.92 0.00 0.00 -0.98 -4.59 105.19 105.40 1dqa n GLY 765 Ca 0.27 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.40 0.89 -0.60 1.61 -1.52 -0.13 -2.94 119.66 113.57 1dqa s GLN 766 Ca 0.00 -0.30 -0.21 0.00 -1.95 0.00 0.00 55.36 52.90 1dqa s GLN 766 Cb 0.00 -1.87 0.08 0.00 -0.22 0.00 0.00 33.01 31.00 1dqa s GLN 766 CO 0.00 -2.26 0.82 0.34 -0.25 0.00 0.00 175.29 173.94 1dqa s ASP 767 N -4.82 6.20 0.63 5.90 -1.08 -1.26 -4.73 116.67 117.50 1dqa s ASP 767 Ca 0.72 -1.07 0.38 0.00 -0.52 0.00 0.00 52.55 52.05 1dqa s ASP 767 Cb -0.05 -2.36 2.10 0.00 -1.46 0.00 0.00 42.92 41.15 1dqa s ASP 767 CO 0.52 -1.22 2.29 0.00 0.52 0.00 0.00 175.17 177.28 1dqa h ALA 768 N 9.32 1.20 0.00 3.66 0.00 -1.94 -0.52 119.26 130.97 1dqa h ALA 768 Ca -0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dqa h ALA 768 Cb 1.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dqa h ALA 768 CO 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 180.37 1dqa h ALA 769 N 1.99 1.00 0.00 0.00 0.00 -2.01 -2.11 119.26 118.13 1dqa h ALA 769 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqa h ALA 769 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1dqa h ALA 769 CO 0.00 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1dqa n GLN 770 N -3.10 0.86 0.33 0.00 6.02 -0.20 -2.97 117.38 118.31 1dqa n GLN 770 Ca 0.01 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.20 1dqa n GLN 770 Cb 0.32 -1.49 1.12 0.00 1.02 0.00 0.00 30.24 31.21 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 0.11 1.08 -1.24 -1.54 0.05 115.58 114.05 1dqa h ASN 771 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1dqa h ASN 771 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1dqa h ASN 771 CO 0.00 0.00 -0.28 0.58 -1.29 0.00 0.00 177.43 176.44 1dqa h VAL 772 N 0.00 0.38 0.00 2.57 2.07 -1.79 -2.54 116.25 116.94 1dqa h VAL 772 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 1dqa h VAL 772 Cb 0.07 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1dqa h VAL 772 CO -0.00 0.00 -1.83 0.61 0.02 0.00 0.00 177.57 176.37 1dqa n GLY 773 N -1.39 -1.09 0.26 2.17 0.00 -1.09 -4.24 105.19 99.81 1dqa n GLY 773 Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 1.19 1.61 0.02 -1.00 -2.08 113.55 113.29 1dqa h SER 774 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1dqa h SER 774 Cb 1.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1dqa h SER 774 CO 0.04 0.10 0.00 0.28 -1.14 0.00 0.00 176.83 176.11 1dqa h SER 775 N 0.00 0.00 -1.51 3.07 0.02 -1.63 -3.40 113.55 110.10 1dqa h SER 775 Ca -0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.23 1dqa h SER 775 Cb 0.25 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.83 1dqa h SER 775 CO 0.01 0.00 0.43 0.59 -1.14 0.00 0.00 176.83 176.72 1dqa n ASN 776 N -2.51 1.38 -3.64 3.07 3.02 -0.78 -4.56 115.26 111.23 1dqa n ASN 776 Ca 0.03 1.12 -0.09 0.00 -0.03 0.00 0.00 54.58 55.62 1dqa n ASN 776 Cb 0.35 -1.12 -0.07 0.00 -0.61 0.00 0.00 39.78 38.33 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 0.50 2.54 -0.20 0.00 2.07 -0.33 -2.06 121.20 123.72 1dqa s ILE 778 Ca 0.00 -0.80 -0.08 0.00 -1.41 0.00 0.00 60.65 58.37 1dqa s ILE 778 Cb -0.05 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.42 1dqa s ILE 778 CO -0.07 0.51 0.08 -0.89 -1.91 0.00 0.00 174.94 172.65 1dqa s THR 779 N 1.05 4.75 0.05 4.00 2.01 -0.22 -1.36 115.64 125.92 1dqa s THR 779 Ca -0.01 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1dqa s THR 779 Cb -0.15 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1dqa s THR 779 CO -0.04 0.42 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.36 1dqa s LEU 780 N 0.74 2.18 0.01 4.42 1.43 -0.11 -4.90 118.68 122.45 1dqa s LEU 780 Ca 0.04 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1dqa s LEU 780 Cb -0.13 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1dqa s LEU 780 CO 0.02 0.11 -0.02 -0.04 0.23 0.00 0.00 176.35 176.65 1dqa s MET 781 N -1.22 0.15 0.18 1.70 -1.94 -1.26 -1.07 119.30 115.84 1dqa s MET 781 Ca 0.05 -0.24 -0.09 0.00 -1.71 0.00 0.00 55.69 53.70 1dqa s MET 781 Cb -0.09 -0.01 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 1dqa s MET 781 CO 0.02 -0.00 0.31 -1.21 -0.01 0.00 0.00 175.02 174.12 1dqa s GLU 782 N -0.54 1.22 0.33 2.03 2.02 -0.73 -4.91 118.70 118.12 1dqa s GLU 782 Ca -0.05 -1.21 -0.14 0.00 0.02 0.00 0.00 54.97 53.59 1dqa s GLU 782 Cb -0.04 0.39 -0.08 0.00 0.10 0.00 0.00 34.13 34.49 1dqa s GLU 782 CO -0.00 -0.45 0.73 0.00 0.02 0.00 0.00 175.26 175.56 1dqa s ALA 783 N -3.99 3.34 0.20 5.21 0.00 -1.26 -0.49 121.76 124.77 1dqa s ALA 783 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 1dqa s ALA 783 Cb 0.03 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1dqa s ALA 783 CO 0.02 0.28 0.30 0.45 0.00 0.00 0.00 175.76 176.81 1dqa s SER 784 N -2.43 0.03 0.00 0.00 0.15 0.17 -4.77 113.70 106.85 1dqa s SER 784 Ca 0.53 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1dqa s SER 784 Cb -0.10 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1dqa s SER 784 CO 0.20 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1dqa n GLY 785 N -0.28 0.39 0.32 9.45 0.00 -1.26 -1.27 105.19 112.54 1dqa n GLY 785 Ca -0.03 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 0.74 -0.28 1.61 0.11 -2.00 -2.27 132.00 129.90 1dqa h PRO 786 Ca 0.00 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1dqa h PRO 786 Cb 0.00 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 30.89 1dqa h PRO 786 CO 0.00 0.49 -0.03 0.25 -0.21 0.00 0.00 178.00 178.50 1dqa n THR 787 N -4.77 2.38 -3.47 -1.15 -2.24 -1.26 -4.97 114.28 98.79 1dqa n THR 787 Ca 0.17 -2.29 -0.25 0.00 -2.27 0.00 0.00 64.05 59.41 1dqa n THR 787 Cb 0.39 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.86 -4.95 -0.00 3.42 5.03 -0.85 -4.88 115.26 112.16 1dqa n ASN 788 Ca 0.26 -0.50 0.10 0.00 0.87 0.00 0.00 54.58 55.31 1dqa n ASN 788 Cb 0.94 -3.99 -0.13 0.00 -1.02 0.00 0.00 39.78 35.58 1dqa n ASN 788 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1dqa n GLU 789 N -4.22 0.63 -2.69 3.52 -0.58 -0.97 -4.39 120.64 111.93 1dqa n GLU 789 Ca -0.02 -0.09 -0.31 0.00 -0.42 0.00 0.00 57.16 56.32 1dqa n GLU 789 Cb 0.56 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 1dqa n GLU 789 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1dqa s ASP 790 N -3.54 6.55 -0.27 1.62 1.01 -0.40 -3.93 116.67 117.71 1dqa s ASP 790 Ca 0.00 1.28 -0.06 0.00 0.71 0.00 0.00 52.55 54.47 1dqa s ASP 790 Cb 0.14 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1dqa s ASP 790 CO 0.81 -0.47 0.05 -0.22 0.21 0.00 0.00 175.17 175.55 1dqa s LEU 791 N -3.94 3.55 -0.02 1.23 2.96 0.03 -0.66 118.68 121.84 1dqa s LEU 791 Ca 0.54 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 1dqa s LEU 791 Cb -0.10 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 1dqa s LEU 791 CO 0.32 -0.11 0.43 -0.47 -1.32 0.00 0.00 176.35 175.19 1dqa s TYR 792 N 1.53 3.69 0.00 5.38 5.04 0.36 -0.42 117.35 132.93 1dqa s TYR 792 Ca 0.04 0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1dqa s TYR 792 Cb -0.16 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.79 1dqa s TYR 792 CO 0.02 0.55 -0.00 -1.50 -1.34 0.00 0.00 175.55 173.27 1dqa s ILE 793 N -0.75 0.03 -0.02 3.14 2.07 -0.47 -1.77 121.20 123.43 1dqa s ILE 793 Ca 0.24 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 59.15 1dqa s ILE 793 Cb -0.17 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1dqa s ILE 793 CO 0.13 -0.16 0.10 -0.94 -1.91 0.00 0.00 174.94 172.16 1dqa s SER 794 N -0.46 -0.03 -0.06 4.50 1.04 -0.23 -1.63 113.70 116.83 1dqa s SER 794 Ca -0.05 0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1dqa s SER 794 Cb -0.03 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1dqa s SER 794 CO -0.00 -0.16 -0.18 0.00 0.98 0.00 0.00 173.24 173.88 1dqa s THR 796 N 0.18 1.74 -0.32 0.00 2.01 -0.47 -1.29 115.64 117.50 1dqa s THR 796 Ca -0.08 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1dqa s THR 796 Cb -0.13 -1.58 0.10 0.00 0.01 0.00 0.00 72.50 70.89 1dqa s THR 796 CO 0.04 0.49 0.07 -0.04 -0.69 0.00 0.00 174.62 174.48 1dqa s MET 797 N 1.16 1.09 0.00 4.92 -1.94 -0.01 -1.19 119.30 123.33 1dqa s MET 797 Ca -0.01 -1.42 0.29 0.00 -1.71 0.00 0.00 55.69 52.84 1dqa s MET 797 Cb -0.14 -2.55 1.34 0.00 2.01 0.00 0.00 34.83 35.49 1dqa s MET 797 CO -0.06 -0.95 1.96 -0.35 -0.01 0.00 0.00 175.02 175.61 1dqa n PRO 798 N 4.58 0.21 -2.88 2.03 -0.04 -1.26 -0.41 135.00 137.23 1dqa n PRO 798 Ca 0.00 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1dqa n PRO 798 Cb 0.42 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.39 1.16 -4.61 3.54 3.41 -1.24 -2.49 113.62 112.01 1dqa n SER 799 Ca 0.10 -2.84 -0.43 0.00 -0.26 0.00 0.00 58.87 55.45 1dqa n SER 799 Cb 0.28 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.81 4.35 -0.44 -1.33 1.01 -0.16 -3.39 121.20 118.43 1dqa s ILE 800 Ca 0.32 1.34 -0.17 0.00 0.00 0.00 0.00 60.65 62.15 1dqa s ILE 800 Cb 0.41 -4.51 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1dqa s ILE 800 CO -0.01 -0.80 0.46 -1.61 0.00 0.00 0.00 174.94 172.98 1dqa s GLU 801 N 4.08 3.08 0.15 2.79 2.02 -1.26 -0.46 118.70 129.10 1dqa s GLU 801 Ca 0.46 -0.87 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 1dqa s GLU 801 Cb -0.09 -4.01 0.02 0.00 0.10 0.00 0.00 34.13 30.15 1dqa s GLU 801 CO 0.25 -0.93 0.39 -1.50 0.02 0.00 0.00 175.26 173.49 1dqa s ILE 802 N 2.13 0.06 0.07 -1.63 2.07 -1.26 -4.85 121.20 117.79 1dqa s ILE 802 Ca 0.11 -0.88 -0.26 0.00 -1.41 0.00 0.00 60.65 58.21 1dqa s ILE 802 Cb -0.18 -1.46 0.09 0.00 0.13 0.00 0.00 42.46 41.04 1dqa s ILE 802 CO 0.12 -0.29 0.82 -0.83 -1.91 0.00 0.00 174.94 172.85 1dqa s GLY 803 N -2.87 -0.46 0.00 1.50 0.00 -1.26 -3.43 107.32 100.80 1dqa s GLY 803 Ca 0.08 0.71 0.04 0.00 0.00 0.00 0.00 44.72 45.55 1dqa s GLY 803 CO -0.06 0.23 0.65 -1.30 0.00 0.00 0.00 173.10 172.61 1dqa n THR 804 N -0.32 0.05 -4.13 0.90 -2.24 0.11 -4.83 114.28 103.82 1dqa n THR 804 Ca -0.10 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 60.99 1dqa n THR 804 Cb 0.62 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.79 1dqa n THR 804 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1dqa s VAL 805 N -0.37 0.89 0.00 2.28 -7.23 -1.21 -1.70 120.40 113.07 1dqa s VAL 805 Ca 0.05 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1dqa s VAL 805 Cb 0.03 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1dqa s VAL 805 CO 0.05 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1dqa n GLY 806 N 1.29 -0.75 7.00 2.32 0.00 -1.26 -4.35 105.19 109.44 1dqa n GLY 806 Ca -0.21 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.51 2.85 0.26 -0.02 0.00 -1.26 -1.77 105.19 104.73 1dqa n GLY 807 Ca 0.00 -0.22 0.17 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 0.87 -0.02 0.00 -1.86 -1.94 103.07 100.12 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 -2.72 0.00 0.78 4.70 -2.24 -0.73 -2.21 114.28 111.86 1dqa n THR 809 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1dqa n THR 809 Cb 0.08 -0.54 0.32 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.93 0.53 -4.86 3.42 3.02 -0.73 -4.65 115.26 111.06 1dqa n ASN 810 Ca 0.17 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.57 1dqa n ASN 810 Cb 0.08 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1dqa n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1dqa s LEU 811 N -3.73 4.18 0.06 3.41 1.43 -0.94 -5.00 118.68 118.10 1dqa s LEU 811 Ca 0.10 1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 1dqa s LEU 811 Cb 0.15 -3.69 -0.17 0.00 0.03 0.00 0.00 46.19 42.52 1dqa s LEU 811 CO 0.66 -0.06 1.58 -0.07 0.23 0.00 0.00 176.35 178.68 1dqa h LEU 812 N 2.69 -0.13 -0.72 1.79 3.38 -1.90 -1.34 115.31 119.09 1dqa h LEU 812 Ca -0.47 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.41 1dqa h LEU 812 Cb 1.18 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1dqa h LEU 812 CO 0.68 0.03 0.46 -0.65 0.09 0.00 0.00 178.44 179.04 1dqa h PRO 813 N -0.29 0.89 0.00 1.13 0.11 -1.96 -0.46 132.00 131.42 1dqa h PRO 813 Ca -0.02 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1dqa h PRO 813 Cb 0.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1dqa h PRO 813 CO 0.03 0.59 -0.26 -0.56 -0.21 0.00 0.00 178.00 177.58 1dqa h GLN 814 N 0.91 0.00 -0.21 1.05 -0.00 -1.76 -1.42 115.11 113.68 1dqa h GLN 814 Ca 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.83 1dqa h GLN 814 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1dqa h GLN 814 CO -0.09 0.26 -0.29 1.96 -0.00 0.00 0.00 178.83 180.67 1dqa h GLN 815 N 0.00 0.42 -0.65 0.06 4.20 -0.33 -1.14 115.11 117.67 1dqa h GLN 815 Ca -0.00 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1dqa h GLN 815 Cb 0.51 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1dqa h GLN 815 CO 0.03 0.68 0.35 0.00 -0.67 0.00 0.00 178.83 179.22 1dqa h ALA 816 N 1.32 0.84 -0.46 3.87 0.00 -0.01 0.21 119.26 125.03 1dqa h ALA 816 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1dqa h ALA 816 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1dqa h ALA 816 CO 0.05 0.36 -0.23 0.00 0.00 0.00 0.00 179.25 179.43 1dqa h LEU 818 N 0.82 0.74 -0.86 0.00 3.38 -0.82 -2.43 115.31 116.15 1dqa h LEU 818 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1dqa h LEU 818 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1dqa h LEU 818 CO 0.07 0.72 -0.15 1.56 0.09 0.00 0.00 178.44 180.73 1dqa h GLN 819 N 0.78 0.69 -0.86 1.13 4.20 -0.33 -1.76 115.11 118.95 1dqa h GLN 819 Ca 0.17 -0.23 0.14 0.00 0.06 0.00 0.00 58.65 58.79 1dqa h GLN 819 Cb 0.27 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 1dqa h GLN 819 CO -0.00 0.80 0.56 1.98 -0.67 0.00 0.00 178.83 181.50 1dqa h MET 820 N 0.62 0.61 -0.01 1.46 4.05 -0.69 -0.35 114.93 120.62 1dqa h MET 820 Ca 0.10 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1dqa h MET 820 Cb 0.61 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1dqa h MET 820 CO 0.04 0.41 -0.25 1.28 0.23 0.00 0.00 176.91 178.62 1dqa n LEU 821 N -4.54 1.31 -0.69 3.39 4.77 -0.91 -4.61 117.00 115.71 1dqa n LEU 821 Ca 0.17 -0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 1dqa n LEU 821 Cb 0.48 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1dqa n LEU 821 CO 0.30 0.24 -0.08 0.61 -1.33 0.00 0.00 177.39 177.13 1dqa n GLY 822 N 1.33 0.67 0.10 -0.72 0.00 -0.14 -4.92 105.19 101.50 1dqa n GLY 822 Ca 0.13 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.19 1.24 -2.04 1.61 0.24 -0.72 -5.00 118.33 110.47 1dqa n VAL 823 Ca -0.08 -1.43 -0.42 0.00 -2.04 0.00 0.00 64.34 60.37 1dqa n VAL 823 Cb 0.36 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.73 4.26 1.98 7.34 -0.44 -1.19 -4.78 119.66 125.10 1dqa s GLN 824 Ca 0.16 2.24 0.00 0.00 -2.50 0.00 0.00 55.36 55.25 1dqa s GLN 824 Cb 0.14 -3.21 0.00 0.00 -1.64 0.00 0.00 33.01 28.30 1dqa s GLN 824 CO 0.01 -0.54 0.00 0.41 0.50 0.00 0.00 175.29 175.68 1dqa n GLY 825 N 3.65 -1.13 3.77 2.59 0.00 -0.69 -4.86 105.19 108.52 1dqa n GLY 825 Ca 0.13 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.26 3.19 -0.85 4.61 0.00 -1.26 -4.57 121.76 121.61 1dqa s ALA 826 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 1dqa s ALA 826 Cb 0.00 -3.34 0.13 0.00 0.00 0.00 0.00 23.12 19.91 1dqa s ALA 826 CO 0.00 -0.38 1.01 0.00 0.00 0.00 0.00 175.76 176.39 1dqa h LYS 828 N 8.80 0.71 0.00 0.00 1.57 -1.98 -1.14 116.57 124.53 1dqa h LYS 828 Ca 0.05 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1dqa h LYS 828 Cb 1.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1dqa h LYS 828 CO 1.06 0.47 -0.55 -0.44 -0.57 0.00 0.00 179.45 179.42 1dqa h ASP 829 N 0.73 0.00 -1.51 0.86 3.32 -2.05 -3.40 116.42 114.37 1dqa h ASP 829 Ca 0.49 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.25 1dqa h ASP 829 Cb 0.67 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.97 1dqa h ASP 829 CO -0.34 0.55 -0.65 0.21 -1.72 0.00 0.00 179.24 177.28 1dqa s ASN 830 N -6.65 -0.31 -0.08 6.45 2.47 -0.80 -5.13 114.94 110.89 1dqa s ASN 830 Ca -0.00 -2.00 -0.38 0.00 0.42 0.00 0.00 52.86 50.89 1dqa s ASN 830 Cb 0.11 1.07 -0.16 0.00 -1.45 0.00 0.00 41.25 40.83 1dqa s ASN 830 CO 0.74 -0.12 1.56 -2.65 -3.72 0.00 0.00 177.10 172.91 1dqa n PRO 831 N 3.22 1.28 0.00 0.43 -0.02 -0.50 -1.64 135.00 137.77 1dqa n PRO 831 Ca 0.20 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1dqa n PRO 831 Cb 0.52 -2.15 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 3.41 2.26 0.19 -1.23 0.00 -1.25 -4.72 105.19 103.85 1dqa n GLY 832 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 0.74 0.24 -0.36 1.61 4.57 -1.63 -1.53 114.58 118.24 1dqa h GLU 833 Ca 0.00 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 57.95 1dqa h GLU 833 Cb 0.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1dqa h GLU 833 CO 0.00 0.67 -0.17 -0.91 -1.18 0.00 0.00 179.01 177.42 1dqa h ASN 834 N 0.20 0.76 -0.45 1.04 2.35 -1.88 -0.20 115.58 117.40 1dqa h ASN 834 Ca 0.01 -0.40 -0.11 0.00 -0.55 0.00 0.00 56.30 55.25 1dqa h ASN 834 Cb 0.90 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1dqa h ASN 834 CO 0.07 1.00 -0.14 0.00 -1.65 0.00 0.00 177.43 176.71 1dqa h ALA 835 N 0.79 0.62 -0.75 -0.83 0.00 -1.79 -0.35 119.26 116.95 1dqa h ALA 835 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1dqa h ALA 835 Cb 0.71 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1dqa h ALA 835 CO 0.05 0.54 0.44 0.00 0.00 0.00 0.00 179.25 180.28 1dqa h ARG 836 N 0.72 1.03 -0.65 0.00 3.08 -1.22 -1.05 114.38 116.29 1dqa h ARG 836 Ca 0.11 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1dqa h ARG 836 Cb 0.69 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1dqa h ARG 836 CO 0.05 0.74 0.20 0.37 -1.07 0.00 0.00 179.97 180.26 1dqa h GLN 837 N 1.03 1.02 -0.70 0.04 5.75 -0.76 -2.06 115.11 119.43 1dqa h GLN 837 Ca 0.27 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1dqa h GLN 837 Cb -0.02 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1dqa h GLN 837 CO -0.05 0.89 0.31 1.25 -2.65 0.00 0.00 178.83 178.58 1dqa h LEU 838 N 0.95 0.92 -0.83 -2.39 5.85 -0.66 -1.92 115.31 117.22 1dqa h LEU 838 Ca 0.21 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1dqa h LEU 838 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1dqa h LEU 838 CO -0.01 0.80 0.17 0.00 -0.34 0.00 0.00 178.44 179.07 1dqa h ALA 839 N 1.34 1.05 -0.58 1.25 0.00 -0.82 -0.88 119.26 120.61 1dqa h ALA 839 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1dqa h ALA 839 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dqa h ALA 839 CO -0.03 0.63 0.13 0.00 0.00 0.00 0.00 179.25 179.98 1dqa h ARG 840 N 1.00 0.94 -0.54 0.00 3.08 -1.02 -1.79 114.38 116.05 1dqa h ARG 840 Ca 0.21 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1dqa h ARG 840 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1dqa h ARG 840 CO -0.00 0.88 0.31 0.82 -1.07 0.00 0.00 179.97 180.91 1dqa h ILE 841 N 0.85 1.17 -0.37 2.04 2.04 -0.92 -0.23 117.51 122.09 1dqa h ILE 841 Ca 0.18 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1dqa h ILE 841 Cb 0.37 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1dqa h ILE 841 CO 0.01 0.18 0.24 0.58 0.00 0.00 0.00 178.15 179.16 1dqa h VAL 842 N 0.72 1.09 -0.61 1.67 2.07 -0.99 0.15 116.25 120.36 1dqa h VAL 842 Ca 0.19 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1dqa h VAL 842 Cb 0.02 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1dqa h VAL 842 CO -0.03 0.09 0.22 0.00 0.02 0.00 0.00 177.57 177.86 1dqa h GLY 844 N 0.86 1.27 1.55 0.00 0.00 -0.75 -1.46 103.07 104.54 1dqa h GLY 844 Ca 0.20 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1dqa h GLY 844 CO -0.01 0.63 -0.56 -0.84 0.00 0.00 0.00 176.54 175.76 1dqa h THR 845 N 1.16 1.34 -0.45 4.70 2.02 -0.39 -1.30 112.91 119.98 1dqa h THR 845 Ca 0.27 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 1dqa h THR 845 Cb 0.18 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1dqa h THR 845 CO -0.03 0.56 0.22 0.58 0.37 0.00 0.00 175.52 177.22 1dqa h VAL 846 N 0.36 1.18 -0.91 3.16 2.07 -0.93 0.93 116.25 122.11 1dqa h VAL 846 Ca 0.00 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1dqa h VAL 846 Cb 1.09 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1dqa h VAL 846 CO 0.10 0.20 0.60 -0.03 0.02 0.00 0.00 177.57 178.47 1dqa h MET 847 N 0.59 1.19 -0.53 1.57 -1.53 -0.88 0.32 114.93 115.66 1dqa h MET 847 Ca 0.15 -0.07 -0.04 0.00 -3.44 0.00 0.00 59.70 56.31 1dqa h MET 847 Cb 0.12 -0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 30.88 1dqa h MET 847 CO -0.02 0.79 0.19 0.00 0.14 0.00 0.00 176.91 178.01 1dqa h ALA 848 N 1.34 0.69 -0.34 0.39 0.00 -0.55 -1.78 119.26 119.00 1dqa h ALA 848 Ca 0.34 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1dqa h ALA 848 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1dqa h ALA 848 CO -0.08 0.32 0.21 0.78 0.00 0.00 0.00 179.25 180.49 1dqa h GLY 849 N 0.72 0.48 0.72 0.00 0.00 0.27 -2.58 103.07 102.68 1dqa h GLY 849 Ca 0.17 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1dqa h GLY 849 CO -0.01 0.15 0.35 0.83 0.00 0.00 0.00 176.54 177.86 1dqa h GLU 850 N 0.43 0.64 -0.12 4.80 4.39 -0.18 -1.84 114.58 122.71 1dqa h GLU 850 Ca 0.13 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1dqa h GLU 850 Cb -0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1dqa h GLU 850 CO -0.05 0.42 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.15 1dqa h LEU 851 N 0.66 -0.06 -0.27 1.33 3.38 -1.14 -1.26 115.31 117.95 1dqa h LEU 851 Ca 0.27 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1dqa h LEU 851 Cb 0.15 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1dqa h LEU 851 CO -0.16 -0.01 -0.11 -1.28 0.09 0.00 0.00 178.44 176.96 1dqa h SER 852 N 0.03 0.57 -0.41 -0.43 0.87 -1.30 -2.13 113.55 110.76 1dqa h SER 852 Ca 0.06 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1dqa h SER 852 Cb 0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1dqa h SER 852 CO -0.10 0.84 0.13 0.25 -0.53 0.00 0.00 176.83 177.42 1dqa h LEU 853 N 0.30 0.59 -1.17 2.23 5.85 -1.32 -1.53 115.31 120.26 1dqa h LEU 853 Ca 0.06 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1dqa h LEU 853 Cb 0.61 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1dqa h LEU 853 CO 0.04 0.64 0.33 0.24 -0.34 0.00 0.00 178.44 179.34 1dqa h MET 854 N 0.51 0.90 -0.45 1.25 2.86 -1.24 0.34 114.93 119.11 1dqa h MET 854 Ca 0.13 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1dqa h MET 854 Cb 0.26 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1dqa h MET 854 CO -0.00 0.69 -0.04 0.00 1.06 0.00 0.00 176.91 178.62 1dqa h ALA 855 N 1.45 0.62 -0.64 6.32 0.00 -1.19 -0.42 119.26 125.40 1dqa h ALA 855 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1dqa h ALA 855 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dqa h ALA 855 CO -0.03 0.45 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1dqa h ALA 856 N 0.90 1.11 -0.26 0.00 0.00 -0.42 -0.93 119.26 119.66 1dqa h ALA 856 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1dqa h ALA 856 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dqa h ALA 856 CO 0.03 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1dqa h LEU 857 N 0.95 0.44 -1.10 0.00 3.38 -0.74 0.13 115.31 118.38 1dqa h LEU 857 Ca 0.21 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1dqa h LEU 857 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1dqa h LEU 857 CO -0.00 0.63 0.43 0.00 0.09 0.00 0.00 178.44 179.59 1dqa h ALA 858 N 0.83 1.32 0.00 1.53 0.00 -0.88 -2.83 119.26 119.22 1dqa h ALA 858 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dqa h ALA 858 Cb 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dqa h ALA 858 CO 0.01 0.57 -0.32 0.00 0.00 0.00 0.00 179.25 179.51 1dqa n ALA 859 N -2.42 2.74 -1.93 0.00 0.00 -0.37 -4.96 120.51 113.57 1dqa n ALA 859 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1dqa n ALA 859 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.38 0.44 0.66 0.00 0.00 -0.20 -4.99 105.19 102.48 1dqa n GLY 860 Ca 0.05 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.86 0.00 0.36 1.61 8.25 0.27 -4.73 115.22 117.13 1dqa n HIS 861 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1dqa n HIS 861 Cb 0.48 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 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 3.26 -1.34 -0.43 2.41 5.85 -1.92 -2.00 115.31 121.14 1dqa h LEU 862 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1dqa h LEU 862 Cb 0.78 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1dqa h LEU 862 CO 0.00 -0.72 0.24 0.58 -0.34 0.00 0.00 178.44 178.21 1dqa h VAL 863 N -1.11 1.03 -0.54 1.05 2.07 -1.95 -2.38 116.25 114.42 1dqa h VAL 863 Ca -0.08 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1dqa h VAL 863 Cb 0.93 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1dqa h VAL 863 CO 0.01 0.09 0.29 0.11 0.02 0.00 0.00 177.57 178.09 1dqa h LYS 864 N 0.49 0.53 -0.69 1.57 1.57 -1.85 -0.85 116.57 117.34 1dqa h LYS 864 Ca 0.17 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1dqa h LYS 864 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1dqa h LYS 864 CO -0.09 0.35 0.21 0.66 -0.57 0.00 0.00 179.45 180.02 1dqa h SER 865 N 0.55 0.98 0.68 0.86 4.64 -1.08 -2.26 113.55 117.93 1dqa h SER 865 Ca 0.24 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1dqa h SER 865 Cb 0.13 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1dqa h SER 865 CO -0.16 0.92 -0.52 0.45 -0.87 0.00 0.00 176.83 176.65 1dqa h HIS 866 N 1.02 0.00 -0.07 4.77 3.86 -0.97 -0.64 115.15 123.12 1dqa h HIS 866 Ca 0.22 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1dqa h HIS 866 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1dqa h HIS 866 CO 0.02 0.52 -0.46 0.52 0.86 0.00 0.00 177.93 179.39 1dqa h MET 867 N 0.00 0.16 0.01 2.45 2.07 -0.79 0.92 114.93 119.75 1dqa h MET 867 Ca -0.01 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1dqa h MET 867 Cb 1.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.73 1dqa h MET 867 CO 0.07 0.59 -0.00 0.82 1.07 0.00 0.00 176.91 179.46 1dqa h ILE 868 N 0.13 1.59 -0.01 -1.22 2.04 -1.10 -3.39 117.51 115.56 1dqa h ILE 868 Ca 0.01 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1dqa h ILE 868 Cb 0.86 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1dqa h ILE 868 CO 0.07 0.48 -0.41 1.41 0.00 0.00 0.00 178.15 179.70 1dqa n HIS 869 N -4.71 0.00 -2.42 1.37 8.25 -0.27 -4.68 115.22 112.76 1dqa n HIS 869 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 1dqa n HIS 869 Cb 0.38 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.53 1dqa n HIS 869 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1dqa n ASN 870 N -0.49 3.11 -3.65 0.41 4.05 0.31 -4.11 115.26 114.89 1dqa n ASN 870 Ca 0.05 -2.87 -0.03 0.00 0.45 0.00 0.00 54.58 52.18 1dqa n ASN 870 Cb 0.28 -0.41 -0.05 0.00 1.23 0.00 0.00 39.78 40.83 1dqa n ASN 870 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1dqa s ARG 871 N -3.60 0.60 0.00 1.20 3.52 -1.21 -4.83 118.95 114.63 1dqa s ARG 871 Ca 0.39 1.36 0.14 0.00 -0.13 0.00 0.00 55.73 57.49 1dqa s ARG 871 Cb 0.36 0.62 0.83 0.00 -1.56 0.00 0.00 34.95 35.21 1dqa s ARG 871 CO -0.01 -0.19 1.25 -1.13 -0.81 0.00 0.00 175.30 174.42