#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qma n PRO 476 N 0.00 2.00 0.29 0.00 -0.04 -1.26 -4.67 135.00 131.32 2qma n PRO 476 Ca 0.00 -1.35 0.15 0.00 -0.04 0.00 0.00 63.50 62.26 2qma n PRO 476 Cb 0.00 -2.37 0.89 0.00 -0.04 0.00 0.00 33.50 31.98 2qma n PRO 476 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2qma h GLN 477 N 6.01 0.00 -0.04 0.54 4.20 -2.06 -1.31 115.11 122.46 2qma h GLN 477 Ca 0.45 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.95 2qma h GLN 477 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2qma h GLN 477 CO 1.30 0.03 -0.87 1.49 -0.67 0.00 0.00 178.83 180.12 2qma h GLU 478 N 0.00 0.45 0.00 1.46 4.57 -2.01 -2.62 114.58 116.42 2qma h GLU 478 Ca -0.00 -0.44 -0.16 0.00 -1.18 0.00 0.00 59.36 57.58 2qma h GLU 478 Cb 0.10 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2qma h GLU 478 CO 0.00 1.09 -0.78 1.05 -1.18 0.00 0.00 179.01 179.19 2qma h GLU 479 N 0.27 0.00 -0.06 1.92 4.11 -1.67 -3.07 114.58 116.08 2qma h GLU 479 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.29 2qma h GLU 479 Cb 1.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2qma h GLU 479 CO 0.15 0.78 -0.30 -1.49 0.07 0.00 0.00 179.01 178.22 2qma h TRP 480 N 0.00 0.11 -1.00 2.06 6.55 -1.33 -3.17 115.95 119.18 2qma h TRP 480 Ca -0.01 -0.02 0.26 0.00 0.95 0.00 0.00 58.89 60.07 2qma h TRP 480 Cb 1.44 -0.03 -0.07 0.00 -0.86 0.00 0.00 29.16 29.63 2qma h TRP 480 CO 0.00 0.40 0.67 0.87 -1.05 0.00 0.00 178.44 179.33 2qma h LYS 481 N 0.09 0.30 -0.23 0.49 1.57 -1.36 0.40 116.57 117.82 2qma h LYS 481 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2qma h LYS 481 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qma h LYS 481 CO 0.04 0.20 0.09 0.87 -0.57 0.00 0.00 179.45 180.08 2qma h LYS 482 N 0.30 0.32 0.00 3.15 1.57 -1.71 -2.56 116.57 117.64 2qma h LYS 482 Ca 0.54 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2qma h LYS 482 Cb 1.53 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2qma h LYS 482 CO -0.19 0.28 0.00 0.72 -0.57 0.00 0.00 179.45 179.68 2qma n HIS 483 N -4.43 0.00 -4.17 -1.35 8.25 0.13 -4.86 115.22 108.79 2qma n HIS 483 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2qma n HIS 483 Cb 0.13 -0.38 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 2qma n HIS 483 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qma s PHE 484 N -2.75 1.08 0.32 4.41 0.08 -0.97 -5.14 117.98 115.01 2qma s PHE 484 Ca 0.15 -0.58 -0.23 0.00 0.12 0.00 0.00 56.93 56.40 2qma s PHE 484 Cb 0.13 -0.60 -0.10 0.00 -0.57 0.00 0.00 43.02 41.89 2qma s PHE 484 CO 0.33 0.02 0.89 0.42 -0.10 0.00 0.00 175.22 176.78 2qma s ILE 485 N -1.98 4.35 0.15 0.64 1.01 -1.26 -4.93 121.20 119.18 2qma s ILE 485 Ca 0.02 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.32 2qma s ILE 485 Cb -0.06 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2qma s ILE 485 CO 0.01 0.05 -0.13 -1.00 0.00 0.00 0.00 174.94 173.86 2qma s HIS 486 N -1.73 1.47 0.60 3.97 3.76 -0.86 -5.04 115.29 117.46 2qma s HIS 486 Ca 0.51 -0.61 -0.09 0.00 -0.15 0.00 0.00 55.06 54.72 2qma s HIS 486 Cb -0.16 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.78 2qma s HIS 486 CO 0.21 0.20 0.97 0.95 -0.85 0.00 0.00 174.74 176.21 2qma s THR 487 N -2.70 4.36 0.00 1.30 -4.23 -1.26 -3.47 115.64 109.63 2qma s THR 487 Ca 0.15 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2qma s THR 487 Cb -0.02 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2qma s THR 487 CO 0.04 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 2qma n GLY 488 N -2.66 -2.41 3.73 3.99 0.00 -1.26 -4.47 105.19 102.11 2qma n GLY 488 Ca 0.05 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2qma n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qma s GLU 489 N -0.39 4.19 0.00 1.61 8.01 -1.26 -2.37 118.70 128.49 2qma s GLU 489 Ca 0.00 2.43 0.00 0.00 0.01 0.00 0.00 54.97 57.41 2qma s GLU 489 Cb 0.00 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 2qma s GLU 489 CO 0.00 -0.59 0.00 1.28 0.01 0.00 0.00 175.26 175.96 2qma n LEU 490 N 3.22 0.45 0.19 1.80 4.32 -1.26 -4.83 117.00 120.88 2qma n LEU 490 Ca 0.11 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.16 2qma n LEU 490 Cb 0.38 -0.72 0.39 0.00 -1.62 0.00 0.00 43.42 41.85 2qma n LEU 490 CO 0.62 -0.22 0.72 1.23 -1.22 0.00 0.00 177.39 178.52 2qma h GLY 491 N 0.00 0.00 -1.30 -0.72 0.00 -1.66 -3.11 103.07 96.28 2qma h GLY 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qma h GLY 491 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2qma n SER 492 N -3.72 3.15 0.00 0.19 3.41 -1.23 -2.02 113.62 113.40 2qma n SER 492 Ca -0.01 -2.30 -0.11 0.00 -0.26 0.00 0.00 58.87 56.19 2qma n SER 492 Cb 0.45 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2qma n SER 492 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qma h ALA 493 N 1.86 0.10 -0.57 7.33 0.00 -1.91 -1.80 119.26 124.27 2qma h ALA 493 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2qma h ALA 493 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2qma h ALA 493 CO 0.06 -0.43 0.01 1.49 0.00 0.00 0.00 179.25 180.38 2qma h GLU 494 N 0.08 0.98 -0.04 0.00 4.57 -1.83 -2.34 114.58 115.99 2qma h GLU 494 Ca 0.04 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 2qma h GLU 494 Cb 0.02 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 2qma h GLU 494 CO -0.04 0.96 -0.30 0.35 -1.18 0.00 0.00 179.01 178.80 2qma h PHE 495 N 0.90 -0.83 -0.62 0.92 3.57 -1.80 0.33 116.94 119.42 2qma h PHE 495 Ca 0.17 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2qma h PHE 495 Cb 0.52 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2qma h PHE 495 CO 0.03 -0.39 0.33 0.00 -2.23 0.00 0.00 178.31 176.06 2qma h ALA 496 N 0.36 0.82 -0.73 2.41 0.00 -1.09 -2.55 119.26 118.47 2qma h ALA 496 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qma h ALA 496 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2qma h ALA 496 CO -0.28 0.00 0.31 1.03 0.00 0.00 0.00 179.25 180.31 2qma h SER 497 N 0.63 0.99 0.00 0.00 0.87 -0.91 0.40 113.55 115.52 2qma h SER 497 Ca 0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2qma h SER 497 Cb 0.17 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2qma h SER 497 CO -0.18 0.88 0.00 0.52 -0.53 0.00 0.00 176.83 177.52 2qma n VAL 498 N -4.36 0.00 0.00 2.23 0.31 0.06 -1.61 118.33 114.95 2qma n VAL 498 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2qma n VAL 498 Cb 0.16 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2qma n VAL 498 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qma n SER 500 N 0.14 0.00 -0.12 4.52 7.64 0.13 -0.70 113.62 125.22 2qma n SER 500 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2qma n SER 500 Cb 0.09 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2qma n SER 500 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2qma h HIS 501 N 0.00 -0.04 -0.50 1.43 6.17 -1.54 -0.83 115.15 119.84 2qma h HIS 501 Ca 0.00 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.01 2qma h HIS 501 Cb 0.00 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 2qma h HIS 501 CO 0.00 -0.09 -0.07 1.15 0.71 0.00 0.00 177.93 179.63 2qma h THR 502 N 0.10 1.27 -0.55 6.26 2.02 -1.19 0.36 112.91 121.17 2qma h THR 502 Ca 0.20 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2qma h THR 502 Cb 0.28 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2qma h THR 502 CO -0.34 0.42 0.28 0.74 0.37 0.00 0.00 175.52 176.99 2qma h THR 503 N 0.79 1.19 -0.49 3.16 2.02 -1.77 -2.54 112.91 115.27 2qma h THR 503 Ca 0.13 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2qma h THR 503 Cb 0.62 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2qma h THR 503 CO 0.04 0.21 0.32 -1.28 0.37 0.00 0.00 175.52 175.18 2qma h SER 504 N 0.73 0.56 0.00 4.18 0.87 -0.82 -1.29 113.55 117.78 2qma h SER 504 Ca 0.19 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2qma h SER 504 Cb 0.09 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2qma h SER 504 CO -0.03 0.42 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 2qma n ALA 505 N -2.24 1.43 0.00 6.23 0.00 0.09 -1.83 120.51 124.20 2qma n ALA 505 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qma n ALA 505 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2qma n ALA 505 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qma n LYS 507 N 0.68 0.00 -0.31 0.00 4.81 -0.49 -1.75 118.16 121.11 2qma n LYS 507 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2qma n LYS 507 Cb 0.05 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.30 2qma n LYS 507 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2qma h SER 508 N 0.00 0.97 0.49 3.14 0.02 -1.64 -0.07 113.55 116.47 2qma h SER 508 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2qma h SER 508 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2qma h SER 508 CO 0.00 0.67 -0.23 0.58 -1.14 0.00 0.00 176.83 176.71 2qma h VAL 509 N 1.13 0.48 -1.00 2.27 2.07 -1.62 -2.56 116.25 117.02 2qma h VAL 509 Ca 0.36 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2qma h VAL 509 Cb 0.01 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 2qma h VAL 509 CO -0.11 0.04 0.64 -0.26 0.02 0.00 0.00 177.57 177.91 2qma h PHE 510 N -0.83 1.16 -0.24 1.57 0.04 -1.77 -1.50 116.94 115.38 2qma h PHE 510 Ca -0.07 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 2qma h PHE 510 Cb 0.57 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2qma h PHE 510 CO -0.01 0.54 -0.10 0.93 -0.60 0.00 0.00 178.31 179.08 2qma h GLU 511 N 1.09 0.38 -0.00 1.51 5.08 -0.94 -2.64 114.58 119.06 2qma h GLU 511 Ca 0.46 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2qma h GLU 511 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2qma h GLU 511 CO -0.21 0.49 -0.46 1.04 -1.00 0.00 0.00 179.01 178.87 2qma n GLN 512 N -4.25 0.22 -2.41 2.33 3.00 -0.63 -4.87 117.38 110.77 2qma n GLN 512 Ca 0.00 -0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.44 2qma n GLN 512 Cb 0.28 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.99 2qma n GLN 512 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2qma s VAL 513 N -2.87 4.00 0.00 5.09 1.01 -0.80 -4.90 120.40 121.93 2qma s VAL 513 Ca 0.14 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.55 2qma s VAL 513 Cb 0.18 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2qma s VAL 513 CO 0.66 0.10 0.35 -0.46 0.00 0.00 0.00 175.10 175.76 2qma n ASN 514 N 4.01 0.46 -3.85 3.32 6.94 -1.26 -5.03 115.26 119.85 2qma n ASN 514 Ca 0.09 -1.13 -0.09 0.00 -0.02 0.00 0.00 54.58 53.44 2qma n ASN 514 Cb 0.46 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.81 2qma n ASN 514 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qma s ALA 515 N -0.13 -0.27 0.31 -2.53 0.00 -1.26 -5.06 121.76 112.83 2qma s ALA 515 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2qma s ALA 515 Cb 0.00 0.60 0.54 0.00 0.00 0.00 0.00 23.12 24.26 2qma s ALA 515 CO 0.00 -0.56 1.92 -1.35 0.00 0.00 0.00 175.76 175.77 2qma h PRO 516 N 2.65 0.98 -4.42 0.00 0.11 -1.84 -3.44 132.00 126.05 2qma h PRO 516 Ca -0.33 -0.06 -0.30 0.00 0.11 0.00 0.00 66.00 65.42 2qma h PRO 516 Cb 1.21 -0.22 -0.25 0.00 0.11 0.00 0.00 31.00 31.85 2qma h PRO 516 CO 0.53 0.65 -0.75 -0.47 -0.21 0.00 0.00 178.00 177.76 2qma s TYR 517 N -5.88 0.56 0.57 0.65 5.04 -1.25 -0.15 117.35 116.89 2qma s TYR 517 Ca -0.11 -0.27 0.41 0.00 -2.44 0.00 0.00 57.07 54.65 2qma s TYR 517 Cb 0.20 -0.34 2.17 0.00 0.35 0.00 0.00 41.96 44.33 2qma s TYR 517 CO 0.80 -0.04 2.29 0.66 -1.34 0.00 0.00 175.55 177.92 2qma h SER 518 N 5.34 0.00 -2.96 4.32 4.64 -1.79 -3.38 113.55 119.72 2qma h SER 518 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qma h SER 518 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qma h SER 518 CO 0.46 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2qma n GLY 519 N -0.94 -2.85 3.64 -0.77 0.00 -1.26 -4.89 105.19 98.11 2qma n GLY 519 Ca -0.02 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2qma n GLY 519 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qma s ASP 521 N 0.00 5.94 0.35 1.61 2.15 -1.26 -4.76 116.67 120.70 2qma s ASP 521 Ca 0.00 0.08 0.03 0.00 0.43 0.00 0.00 52.55 53.09 2qma s ASP 521 Cb 0.00 -2.06 0.66 0.00 -0.30 0.00 0.00 42.92 41.21 2qma s ASP 521 CO 0.00 0.08 1.99 -0.65 -0.17 0.00 0.00 175.17 176.42 2qma h PRO 522 N 7.44 0.74 -0.74 4.34 0.11 -1.99 -1.47 132.00 140.43 2qma h PRO 522 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qma h PRO 522 Cb 1.17 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 2qma h PRO 522 CO 0.66 0.53 0.47 -0.22 -0.21 0.00 0.00 178.00 179.22 2qma h LYS 523 N 0.76 1.00 -0.40 1.05 3.64 -2.02 0.20 116.57 120.79 2qma h LYS 523 Ca 0.20 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2qma h LYS 523 Cb -0.01 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2qma h LYS 523 CO -0.04 0.69 0.26 0.00 -2.27 0.00 0.00 179.45 178.09 2qma h ALA 524 N 1.25 0.51 -0.42 5.00 0.00 -1.88 -0.62 119.26 123.09 2qma h ALA 524 Ca 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2qma h ALA 524 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qma h ALA 524 CO -0.05 -0.02 0.06 1.25 0.00 0.00 0.00 179.25 180.49 2qma h LEU 525 N 0.54 0.68 -0.81 0.00 5.85 -0.84 -1.84 115.31 118.89 2qma h LEU 525 Ca 0.15 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2qma h LEU 525 Cb -0.05 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2qma h LEU 525 CO -0.03 0.77 0.34 -0.08 -0.34 0.00 0.00 178.44 179.10 2qma h GLU 526 N 0.56 1.21 -0.34 1.25 4.81 -0.87 -1.39 114.58 119.81 2qma h GLU 526 Ca 0.13 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2qma h GLU 526 Cb 0.39 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2qma h GLU 526 CO 0.01 0.96 0.14 -0.44 -0.73 0.00 0.00 179.01 178.95 2qma h ASP 527 N 1.18 0.46 -0.45 1.04 3.32 -0.93 -0.14 116.42 120.90 2qma h ASP 527 Ca 0.27 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2qma h ASP 527 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2qma h ASP 527 CO -0.03 0.48 0.19 0.00 -1.72 0.00 0.00 179.24 178.17 2qma h ALA 528 N 0.99 0.58 -0.36 3.45 0.00 -1.11 -1.28 119.26 121.53 2qma h ALA 528 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qma h ALA 528 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qma h ALA 528 CO -0.01 0.17 0.23 0.82 0.00 0.00 0.00 179.25 180.46 2qma h ILE 529 N 0.58 1.11 0.00 0.00 2.04 -1.15 -2.95 117.51 117.14 2qma h ILE 529 Ca 0.15 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2qma h ILE 529 Cb 0.17 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2qma h ILE 529 CO -0.01 0.11 -0.13 0.78 0.00 0.00 0.00 178.15 178.89 2qma h ASN 530 N 0.48 0.00 1.10 1.72 -0.26 -0.70 -2.35 115.58 115.57 2qma h ASN 530 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2qma h ASN 530 Cb -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 2qma h ASN 530 CO -0.03 0.13 0.00 0.00 -1.06 0.00 0.00 177.43 176.47 2qma n ALA 531 N -2.43 2.04 -1.77 -0.83 0.00 -0.51 -4.85 120.51 112.16 2qma n ALA 531 Ca -0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2qma n ALA 531 Cb 0.21 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2qma n ALA 531 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qma s VAL 532 N -3.15 2.13 -0.46 0.00 1.01 -0.89 -4.95 120.40 114.10 2qma s VAL 532 Ca 0.09 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2qma s VAL 532 Cb 0.12 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2qma s VAL 532 CO 0.50 0.01 1.18 -0.62 0.00 0.00 0.00 175.10 176.16 2qma s ASP 533 N 1.11 6.61 -0.14 3.32 2.15 -1.26 -4.91 116.67 123.56 2qma s ASP 533 Ca 0.73 0.56 0.18 0.00 0.43 0.00 0.00 52.55 54.45 2qma s ASP 533 Cb -0.49 -2.55 0.76 0.00 -0.30 0.00 0.00 42.92 40.35 2qma s ASP 533 CO 0.33 -1.26 1.67 0.18 -0.17 0.00 0.00 175.17 175.93 2qma n LEU 534 N 7.93 5.04 0.00 -1.34 4.77 -1.26 -4.21 117.00 127.93 2qma n LEU 534 Ca 0.13 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 2qma n LEU 534 Cb 0.49 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2qma n LEU 534 CO 0.71 0.78 -0.34 0.47 -1.33 0.00 0.00 177.39 177.68 2qma n ASP 535 N 1.07 0.03 -0.09 -1.43 8.00 -1.26 -4.90 116.55 117.97 2qma n ASP 535 Ca 0.27 0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.80 2qma n ASP 535 Cb 0.97 -0.00 0.04 0.00 -0.02 0.00 0.00 41.12 42.10 2qma n ASP 535 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qma n ASN 536 N -2.88 2.17 0.10 -2.24 3.02 -1.26 -4.68 115.26 109.49 2qma n ASN 536 Ca 0.00 -2.15 -0.05 0.00 -0.03 0.00 0.00 54.58 52.35 2qma n ASN 536 Cb 0.34 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 2qma n ASN 536 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qma h LYS 537 N 0.24 -0.31 -6.73 3.52 3.64 -1.91 -3.48 116.57 111.55 2qma h LYS 537 Ca 0.00 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.85 2qma h LYS 537 Cb 0.60 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.37 2qma h LYS 537 CO 0.00 -0.21 -0.92 0.09 -2.27 0.00 0.00 179.45 176.15 2qma n ASN 538 N -4.35 0.09 -4.91 4.20 3.02 -1.26 -4.96 115.26 107.09 2qma n ASN 538 Ca -0.04 -1.11 -0.27 0.00 -0.03 0.00 0.00 54.58 53.13 2qma n ASN 538 Cb 0.13 -2.48 -0.00 0.00 -0.61 0.00 0.00 39.78 36.81 2qma n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qma s ALA 539 N -4.10 3.45 0.56 5.41 0.00 -1.26 -5.05 121.76 120.77 2qma s ALA 539 Ca 0.03 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 2qma s ALA 539 Cb -0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2qma s ALA 539 CO 0.93 -0.27 1.33 -1.25 0.00 0.00 0.00 175.76 176.51 2qma s PRO 540 N -4.60 3.07 0.20 0.00 0.04 -1.26 -4.82 135.00 127.63 2qma s PRO 540 Ca 0.46 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.56 2qma s PRO 540 Cb -0.10 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.39 2qma s PRO 540 CO 0.42 -1.23 1.84 1.25 0.04 0.00 0.00 177.00 179.33 2qma h LEU 541 N 1.32 0.84 -1.34 -3.56 5.85 -2.00 -1.64 115.31 114.78 2qma h LEU 541 Ca -0.51 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.17 2qma h LEU 541 Cb 1.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2qma h LEU 541 CO 0.57 0.65 0.45 0.11 -0.34 0.00 0.00 178.44 179.88 2qma h LYS 542 N 0.96 0.87 -0.23 1.25 1.57 -1.96 -0.04 116.57 118.99 2qma h LYS 542 Ca 0.25 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 2qma h LYS 542 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2qma h LYS 542 CO -0.05 0.58 -0.45 0.66 -0.57 0.00 0.00 179.45 179.62 2qma h SER 543 N 0.90 0.63 -0.64 0.86 4.64 -1.68 -1.36 113.55 116.90 2qma h SER 543 Ca 0.25 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2qma h SER 543 Cb -0.08 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 2qma h SER 543 CO -0.06 0.99 0.20 0.58 -0.87 0.00 0.00 176.83 177.67 2qma h VAL 544 N 0.47 1.25 -0.76 0.95 2.07 -0.96 0.38 116.25 119.66 2qma h VAL 544 Ca 0.03 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2qma h VAL 544 Cb 0.97 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2qma h VAL 544 CO 0.09 0.33 0.47 0.40 0.02 0.00 0.00 177.57 178.88 2qma h ILE 545 N 0.92 1.09 -0.36 4.57 2.04 -0.87 -0.17 117.51 124.74 2qma h ILE 545 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2qma h ILE 545 Cb 0.29 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2qma h ILE 545 CO -0.01 0.17 0.14 0.44 0.00 0.00 0.00 178.15 178.89 2qma h ASP 546 N 0.91 0.49 -0.61 1.72 3.32 -0.46 -0.88 116.42 120.92 2qma h ASP 546 Ca 0.31 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2qma h ASP 546 Cb 0.05 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2qma h ASP 546 CO -0.12 0.52 0.36 0.44 -1.72 0.00 0.00 179.24 178.72 2qma h ASP 547 N 0.43 0.74 -0.17 6.45 3.32 -0.66 -1.27 116.42 125.26 2qma h ASP 547 Ca 0.12 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 2qma h ASP 547 Cb 0.18 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2qma h ASP 547 CO -0.01 0.59 -0.51 -0.37 -1.72 0.00 0.00 179.24 177.22 2qma h VAL 548 N 0.82 1.29 -0.57 -1.35 -1.51 -0.89 -1.31 116.25 112.73 2qma h VAL 548 Ca 0.22 -1.72 0.05 0.00 -1.23 0.00 0.00 66.70 64.02 2qma h VAL 548 Cb -0.01 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 30.74 2qma h VAL 548 CO -0.04 0.55 0.31 0.00 -1.23 0.00 0.00 177.57 177.16 2qma h ALA 549 N 0.84 0.75 -0.30 5.19 0.00 -0.94 0.13 119.26 124.93 2qma h ALA 549 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2qma h ALA 549 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qma h ALA 549 CO 0.11 -0.02 -0.08 1.49 0.00 0.00 0.00 179.25 180.74 2qma h GLU 550 N 0.59 0.58 0.03 0.00 4.57 -1.06 -1.01 114.58 118.28 2qma h GLU 550 Ca 0.25 -0.23 -0.38 0.00 -1.18 0.00 0.00 59.36 57.82 2qma h GLU 550 Cb 0.14 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2qma h GLU 550 CO -0.16 0.78 -2.26 -0.11 -1.18 0.00 0.00 179.01 176.08 2qma n LEU 551 N -4.47 2.61 -0.08 1.64 7.94 -0.51 -4.29 117.00 119.83 2qma n LEU 551 Ca -0.03 0.09 -0.09 0.00 -1.11 0.00 0.00 56.01 54.87 2qma n LEU 551 Cb 0.33 -0.95 -0.04 0.00 0.53 0.00 0.00 43.42 43.28 2qma n LEU 551 CO 0.40 0.79 -0.32 0.58 -1.11 0.00 0.00 177.39 177.74 2qma h VAL 552 N -0.25 0.29 0.02 1.96 2.07 -0.96 -3.34 116.25 116.03 2qma h VAL 552 Ca -0.54 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 2qma h VAL 552 Cb 1.83 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2qma h VAL 552 CO -0.12 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.56 2qma h ALA 553 N -0.84 -0.03 -0.70 1.67 0.00 -1.19 -2.60 119.26 115.57 2qma h ALA 553 Ca -0.08 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.87 2qma h ALA 553 Cb 0.66 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2qma h ALA 553 CO -0.05 -0.37 0.50 -0.22 0.00 0.00 0.00 179.25 179.11 2qma h LYS 554 N -0.33 0.07 -0.41 0.00 3.64 -1.37 -2.36 116.57 115.81 2qma h LYS 554 Ca -0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qma h LYS 554 Cb 0.31 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2qma h LYS 554 CO 0.01 0.04 0.00 0.09 -2.27 0.00 0.00 179.45 177.32 2qma n ASN 555 N -4.36 4.78 -4.42 4.20 3.02 -1.01 -4.52 115.26 112.95 2qma n ASN 555 Ca 0.14 -2.99 -0.27 0.00 -0.03 0.00 0.00 54.58 51.43 2qma n ASN 555 Cb 0.72 -0.61 0.15 0.00 -0.61 0.00 0.00 39.78 39.43 2qma n ASN 555 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qma s ALA 556 N -2.81 2.80 -0.30 5.41 0.00 -0.89 -4.76 121.76 121.20 2qma s ALA 556 Ca 0.48 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 2qma s ALA 556 Cb 0.38 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2qma s ALA 556 CO 0.12 -1.98 0.43 0.42 0.00 0.00 0.00 175.76 174.75 2qma s ILE 557 N -3.58 5.11 -0.68 0.00 -1.09 -1.26 -4.50 121.20 115.20 2qma s ILE 557 Ca 0.70 0.46 -0.20 0.00 -2.23 0.00 0.00 60.65 59.37 2qma s ILE 557 Cb -0.05 -3.81 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 2qma s ILE 557 CO 0.49 -0.00 0.90 -0.36 -1.23 0.00 0.00 174.94 174.74 2qma s PHE 558 N 2.18 2.88 0.15 3.97 0.08 0.79 -4.86 117.98 123.18 2qma s PHE 558 Ca 0.16 -0.87 0.33 0.00 0.12 0.00 0.00 56.93 56.67 2qma s PHE 558 Cb -0.16 -4.18 1.68 0.00 -0.57 0.00 0.00 43.02 39.78 2qma s PHE 558 CO 0.11 -1.49 2.00 1.79 -0.10 0.00 0.00 175.22 177.54 2qma h THR 559 N 5.90 0.00 0.00 0.64 1.35 -1.91 -1.47 112.91 117.42 2qma h THR 559 Ca -0.21 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2qma h THR 559 Cb 1.07 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2qma h THR 559 CO 1.13 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.40 2qma n GLN 560 N -2.71 0.23 -2.95 4.72 3.00 -1.26 -4.51 117.38 113.89 2qma n GLN 560 Ca -0.01 0.20 -0.40 0.00 -0.01 0.00 0.00 57.00 56.78 2qma n GLN 560 Cb 0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 30.24 28.53 2qma n GLN 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2qma s HIS 561 N -3.10 3.76 0.57 1.08 2.46 -0.55 -4.96 115.29 114.55 2qma s HIS 561 Ca 0.11 1.53 0.28 0.00 0.47 0.00 0.00 55.06 57.44 2qma s HIS 561 Cb 0.13 -2.85 1.54 0.00 -0.13 0.00 0.00 32.58 31.28 2qma s HIS 561 CO 0.58 0.28 2.03 -1.35 -2.47 0.00 0.00 174.74 173.81 2qma h PRO 562 N 5.54 0.00 -0.22 2.88 0.11 -1.87 -0.83 132.00 137.61 2qma h PRO 562 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qma h PRO 562 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qma h PRO 562 CO 0.71 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 2qma n ASP 563 N -3.92 1.96 -4.42 -2.05 8.00 -1.26 -4.58 116.55 110.28 2qma n ASP 563 Ca 0.05 -1.78 -0.44 0.00 0.71 0.00 0.00 54.79 53.32 2qma n ASP 563 Cb 0.46 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2qma n ASP 563 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma n ILE 565 N 5.66 0.10 -0.12 0.00 3.06 -0.60 -4.89 119.36 122.57 2qma n ILE 565 Ca -0.07 -0.66 -0.26 0.00 -2.50 0.00 0.00 62.75 59.26 2qma n ILE 565 Cb 0.44 0.78 -0.11 0.00 0.54 0.00 0.00 39.64 41.29 2qma n ILE 565 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2qma n ALA 566 N -0.41 0.99 -2.52 1.51 0.00 -0.89 -0.50 120.51 118.69 2qma n ALA 566 Ca -0.17 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 2qma n ALA 566 Cb 0.82 -0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2qma n ALA 566 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qma s HIS 567 N -2.44 1.82 -1.52 0.00 3.76 -1.26 -3.72 115.29 111.93 2qma s HIS 567 Ca -0.34 -1.21 -0.12 0.00 -0.15 0.00 0.00 55.06 53.24 2qma s HIS 567 Cb 0.10 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.57 2qma s HIS 567 CO 0.54 -0.21 2.51 1.28 -0.85 0.00 0.00 174.74 178.02 2qma n LEU 568 N -0.91 7.65 -3.80 0.89 4.77 -1.26 -4.76 117.00 119.58 2qma n LEU 568 Ca -0.07 -4.26 -0.29 0.00 -0.03 0.00 0.00 56.01 51.36 2qma n LEU 568 Cb 0.65 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 39.98 2qma n LEU 568 CO 0.37 1.52 -0.36 -2.28 -1.33 0.00 0.00 177.39 175.31 2qma s HIS 569 N 2.62 1.79 -0.01 -1.77 2.46 -1.26 -4.80 115.29 114.32 2qma s HIS 569 Ca 0.56 -1.57 -0.15 0.00 0.47 0.00 0.00 55.06 54.37 2qma s HIS 569 Cb 0.16 -1.56 -0.06 0.00 -0.13 0.00 0.00 32.58 30.99 2qma s HIS 569 CO -0.08 -0.79 0.42 -0.08 -2.47 0.00 0.00 174.74 171.75 2qma s THR 570 N 1.59 5.04 0.03 0.89 -1.32 -1.26 -4.97 115.64 115.65 2qma s THR 570 Ca 0.03 0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 61.06 2qma s THR 570 Cb -0.18 -3.73 -0.06 0.00 -1.51 0.00 0.00 72.50 67.03 2qma s THR 570 CO -0.15 0.55 1.35 -2.16 -2.21 0.00 0.00 174.62 171.99 2qma s PRO 571 N -0.85 4.32 0.16 7.08 0.04 -1.26 -4.96 135.00 139.53 2qma s PRO 571 Ca 0.24 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2qma s PRO 571 Cb -0.17 -3.46 -0.08 0.00 0.04 0.00 0.00 34.50 30.83 2qma s PRO 571 CO 0.13 -0.48 1.28 -1.25 0.04 0.00 0.00 177.00 176.71 2qma s PRO 572 N 1.89 4.41 0.00 0.56 0.04 -1.26 -4.77 135.00 135.87 2qma s PRO 572 Ca 0.62 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2qma s PRO 572 Cb -0.32 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2qma s PRO 572 CO 0.27 -0.24 0.00 1.28 0.04 0.00 0.00 177.00 178.35 2qma n LEU 573 N 3.01 0.00 0.00 -3.56 4.77 0.51 -4.90 117.00 116.83 2qma n LEU 573 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2qma n LEU 573 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qma n LEU 573 CO 0.57 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.82 2qma n PRO 575 N 0.00 0.00 -0.16 3.23 -0.04 -1.26 -1.80 135.00 134.97 2qma n PRO 575 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2qma n PRO 575 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2qma n PRO 575 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qma h ALA 576 N 0.00 0.63 -0.42 0.55 0.00 -1.89 -1.35 119.26 116.78 2qma h ALA 576 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qma h ALA 576 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qma h ALA 576 CO 0.00 0.42 0.16 0.28 0.00 0.00 0.00 179.25 180.11 2qma h VAL 577 N 0.68 1.20 -0.39 0.00 2.07 -1.70 -1.54 116.25 116.57 2qma h VAL 577 Ca 0.14 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2qma h VAL 577 Cb 0.49 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2qma h VAL 577 CO 0.02 0.23 0.24 0.00 0.02 0.00 0.00 177.57 178.08 2qma h ALA 578 N 1.01 0.50 -1.01 1.67 0.00 -1.84 -2.57 119.26 117.02 2qma h ALA 578 Ca 0.14 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.11 2qma h ALA 578 Cb 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2qma h ALA 578 CO -0.01 -0.01 0.63 0.00 0.00 0.00 0.00 179.25 179.87 2qma h ALA 579 N 1.10 1.51 -0.55 0.00 0.00 -0.93 -1.74 119.26 118.65 2qma h ALA 579 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qma h ALA 579 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2qma h ALA 579 CO -0.03 0.25 0.28 0.93 0.00 0.00 0.00 179.25 180.69 2qma h GLU 580 N 1.01 0.77 0.00 0.00 4.39 -0.87 0.56 114.58 120.44 2qma h GLU 580 Ca 0.49 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2qma h GLU 580 Cb 0.46 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2qma h GLU 580 CO -0.26 0.58 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 2qma n ALA 581 N -2.45 1.08 0.00 3.43 0.00 -0.65 -0.94 120.51 120.98 2qma n ALA 581 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2qma n ALA 581 Cb 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2qma n ALA 581 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qma n ILE 583 N 0.15 0.00 -0.14 0.00 5.41 0.19 -2.33 119.36 122.63 2qma n ILE 583 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2qma n ILE 583 Cb 0.00 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.10 2qma n ILE 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qma h ALA 584 N 0.00 1.16 0.00 -1.39 0.00 -1.29 0.15 119.26 117.88 2qma h ALA 584 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2qma h ALA 584 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qma h ALA 584 CO 0.00 0.56 -0.96 0.00 0.00 0.00 0.00 179.25 178.85 2qma h ALA 585 N 1.30 0.32 0.07 0.00 0.00 -1.71 -3.22 119.26 116.01 2qma h ALA 585 Ca 0.17 -0.71 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 2qma h ALA 585 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qma h ALA 585 CO 0.00 0.79 -1.26 -0.07 0.00 0.00 0.00 179.25 178.72 2qma h LEU 586 N 0.26 0.22 -1.83 0.00 3.38 -1.81 -3.48 115.31 112.06 2qma h LEU 586 Ca -0.09 -0.26 -0.54 0.00 0.09 0.00 0.00 57.88 57.08 2qma h LEU 586 Cb 1.60 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 42.15 2qma h LEU 586 CO 0.17 1.21 -0.90 -3.20 0.09 0.00 0.00 178.44 175.81 2qma n ASN 587 N -3.40 -0.40 -4.77 -0.43 5.15 0.50 -4.92 115.26 106.99 2qma n ASN 587 Ca -0.08 -1.09 -0.38 0.00 -0.60 0.00 0.00 54.58 52.43 2qma n ASN 587 Cb 1.00 -2.59 -0.02 0.00 -0.53 0.00 0.00 39.78 37.65 2qma n ASN 587 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qma s GLN 588 N -6.84 4.02 0.00 1.20 -1.52 -1.26 -5.06 119.66 110.20 2qma s GLN 588 Ca 0.12 1.87 0.00 0.00 -1.95 0.00 0.00 55.36 55.40 2qma s GLN 588 Cb -0.07 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 2qma s GLN 588 CO 0.93 -0.36 0.00 0.45 -0.25 0.00 0.00 175.29 176.06 2qma n SER 589 N 0.04 0.98 0.00 5.90 2.88 -0.54 -4.26 113.62 118.63 2qma n SER 589 Ca 0.04 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2qma n SER 589 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2qma n SER 589 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2qma n ASP 591 N -1.14 0.00 -3.76 -3.46 5.75 -1.26 -3.93 116.55 108.74 2qma n ASP 591 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 2qma n ASP 591 Cb 0.00 -0.60 -0.07 0.00 -1.03 0.00 0.00 41.12 39.42 2qma n ASP 591 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2qma s SER 592 N -1.17 -0.08 0.18 -1.12 1.04 -1.26 -5.04 113.70 106.24 2qma s SER 592 Ca 0.00 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 2qma s SER 592 Cb 0.00 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.58 2qma s SER 592 CO 0.00 -0.65 1.83 -0.25 0.98 0.00 0.00 173.24 175.15 2qma h TRP 593 N 3.07 0.65 0.00 5.02 7.01 -1.88 -1.70 115.95 128.11 2qma h TRP 593 Ca -0.32 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.69 2qma h TRP 593 Cb 1.20 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2qma h TRP 593 CO 0.44 0.39 0.00 -0.40 -2.79 0.00 0.00 178.44 176.08 2qma n ASP 594 N -4.74 0.00 0.00 2.65 5.75 -1.26 -1.02 116.55 117.93 2qma n ASP 594 Ca 0.04 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 2qma n ASP 594 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2qma n ASP 594 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qma n GLN 595 N -0.61 -0.34 -2.70 0.11 6.02 -0.68 -4.94 117.38 114.24 2qma n GLN 595 Ca 0.02 -0.50 -0.06 0.00 -0.01 0.00 0.00 57.00 56.45 2qma n GLN 595 Cb 0.01 -0.88 0.06 0.00 1.02 0.00 0.00 30.24 30.46 2qma n GLN 595 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qma n ALA 596 N -0.05 -2.58 0.00 -1.58 0.00 -0.19 -1.46 120.51 114.65 2qma n ALA 596 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 53.44 52.62 2qma n ALA 596 Cb 0.10 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 2qma n ALA 596 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qma h SER 597 N 3.52 -0.09 0.53 0.00 4.64 -1.69 -0.80 113.55 119.65 2qma h SER 597 Ca -0.20 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 2qma h SER 597 Cb 1.13 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2qma h SER 597 CO 0.04 0.33 -0.55 0.77 -0.87 0.00 0.00 176.83 176.55 2qma h SER 598 N -0.90 0.02 -0.59 4.97 4.64 -1.98 -3.27 113.55 116.44 2qma h SER 598 Ca -0.01 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 2qma h SER 598 Cb 0.08 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2qma h SER 598 CO 0.02 0.57 -0.03 0.00 -0.87 0.00 0.00 176.83 176.52 2qma h ALA 599 N 1.43 0.82 -0.71 5.18 0.00 -1.95 -1.37 119.26 122.66 2qma h ALA 599 Ca -0.00 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2qma h ALA 599 Cb 0.98 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2qma h ALA 599 CO 0.07 0.67 0.40 1.15 0.00 0.00 0.00 179.25 181.55 2qma h THR 600 N 0.97 0.99 -0.09 0.00 2.02 -1.19 -0.06 112.91 115.54 2qma h THR 600 Ca 0.17 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2qma h THR 600 Cb 0.59 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2qma h THR 600 CO 0.04 0.14 -0.74 1.88 0.37 0.00 0.00 175.52 177.20 2qma h TYR 601 N 0.74 0.63 0.16 3.16 0.05 -1.59 -1.85 116.97 118.28 2qma h TYR 601 Ca 0.31 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2qma h TYR 601 Cb 0.18 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2qma h TYR 601 CO -0.07 1.05 -0.21 0.28 -1.05 0.00 0.00 178.16 178.17 2qma h VAL 602 N 0.32 0.54 -0.31 -2.88 2.07 -0.48 -0.03 116.25 115.47 2qma h VAL 602 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2qma h VAL 602 Cb 1.33 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2qma h VAL 602 CO 0.13 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.55 2qma h GLU 603 N -0.42 -0.02 -0.88 1.57 4.81 -0.98 -1.45 114.58 117.21 2qma h GLU 603 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2qma h GLU 603 Cb 0.42 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2qma h GLU 603 CO -0.08 -0.02 0.49 0.37 -0.73 0.00 0.00 179.01 179.04 2qma h GLN 604 N -0.02 1.23 -0.16 1.92 5.75 -1.08 0.31 115.11 123.05 2qma h GLN 604 Ca 0.15 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2qma h GLN 604 Cb 0.25 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 2qma h GLN 604 CO -0.33 0.89 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.45 2qma h LYS 605 N 1.23 -0.06 -0.56 1.69 1.63 -0.66 0.15 116.57 119.99 2qma h LYS 605 Ca 0.31 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.06 2qma h LYS 605 Cb 0.02 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2qma h LYS 605 CO -0.05 -0.04 0.12 0.28 -3.45 0.00 0.00 179.45 176.31 2qma h VAL 606 N -0.06 1.25 -0.19 2.00 2.07 -0.93 -0.68 116.25 119.70 2qma h VAL 606 Ca 0.09 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2qma h VAL 606 Cb 0.19 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2qma h VAL 606 CO -0.20 0.33 0.11 0.58 0.02 0.00 0.00 177.57 178.41 2qma h VAL 607 N 0.80 1.02 -0.75 2.57 2.07 -0.63 0.06 116.25 121.40 2qma h VAL 607 Ca 0.17 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2qma h VAL 607 Cb 0.36 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2qma h VAL 607 CO 0.00 0.04 0.47 0.78 0.02 0.00 0.00 177.57 178.89 2qma h ASN 608 N 0.23 0.78 -0.38 0.57 -0.26 -0.49 -0.84 115.58 115.19 2qma h ASN 608 Ca 0.07 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2qma h ASN 608 Cb -0.01 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 2qma h ASN 608 CO -0.03 0.54 0.24 -0.25 -1.06 0.00 0.00 177.43 176.86 2qma h TRP 609 N 0.92 0.50 -0.45 1.19 7.01 -0.81 -2.32 115.95 121.99 2qma h TRP 609 Ca 0.30 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 2qma h TRP 609 Cb 0.02 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2qma h TRP 609 CO -0.04 0.34 0.27 -0.07 -2.79 0.00 0.00 178.44 176.15 2qma h LEU 610 N 0.51 0.55 -0.95 0.65 3.38 -0.46 -1.55 115.31 117.45 2qma h LEU 610 Ca 0.14 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2qma h LEU 610 Cb -0.02 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 2qma h LEU 610 CO -0.03 0.45 0.60 0.00 0.09 0.00 0.00 178.44 179.56 2qma h ASP 612 N 1.07 0.09 -0.27 0.00 1.82 -0.84 -2.00 116.42 116.29 2qma h ASP 612 Ca 0.42 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 57.07 2qma h ASP 612 Cb 0.23 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2qma h ASP 612 CO -0.19 0.09 0.08 0.11 -1.61 0.00 0.00 179.24 177.72 2qma h LYS 613 N 0.22 0.50 -0.18 0.28 1.79 -0.30 -0.01 116.57 118.86 2qma h LYS 613 Ca 0.13 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2qma h LYS 613 Cb 0.11 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2qma h LYS 613 CO -0.14 0.46 0.00 0.66 -1.08 0.00 0.00 179.45 179.35 2qma n TYR 614 N -4.35 0.23 -3.01 -1.35 4.01 -0.70 -4.95 117.16 107.04 2qma n TYR 614 Ca 0.02 -0.12 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 2qma n TYR 614 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 2qma n TYR 614 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2qma n ASP 615 N 0.58 -5.72 -4.85 7.72 8.00 -0.02 -4.06 116.55 118.20 2qma n ASP 615 Ca 0.17 -0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.08 2qma n ASP 615 Cb 0.40 -4.52 0.06 0.00 -0.02 0.00 0.00 41.12 37.04 2qma n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qma s LEU 616 N -6.11 2.85 1.19 0.64 1.43 -0.79 -4.86 118.68 113.03 2qma s LEU 616 Ca 0.30 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.52 2qma s LEU 616 Cb -0.13 -4.03 0.29 0.00 0.03 0.00 0.00 46.19 42.34 2qma s LEU 616 CO 0.38 -1.52 1.02 -0.94 0.23 0.00 0.00 176.35 175.52 2qma s SER 617 N -4.14 0.83 0.57 2.29 1.04 -1.26 -4.87 113.70 108.16 2qma s SER 617 Ca 0.59 1.28 0.26 0.00 0.48 0.00 0.00 55.95 58.56 2qma s SER 617 Cb -0.12 -1.97 1.62 0.00 0.10 0.00 0.00 66.02 65.64 2qma s SER 617 CO 0.53 -4.26 2.16 -0.33 0.98 0.00 0.00 173.24 172.32 2qma h GLU 618 N -2.67 0.00 -0.14 4.02 5.08 -1.97 -2.23 114.58 116.67 2qma h GLU 618 Ca -0.58 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2qma h GLU 618 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2qma h GLU 618 CO 0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 2qma n LYS 619 N -4.02 1.59 -1.76 2.33 5.02 -1.26 -4.97 118.16 115.10 2qma n LYS 619 Ca -0.00 -0.89 -0.32 0.00 -2.02 0.00 0.00 58.31 55.08 2qma n LYS 619 Cb 0.21 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2qma n LYS 619 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qma s ALA 620 N -1.83 2.67 0.35 7.82 0.00 -0.84 -0.47 121.76 129.46 2qma s ALA 620 Ca 0.31 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 2qma s ALA 620 Cb 0.16 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.13 2qma s ALA 620 CO 0.25 -1.08 0.73 -3.47 0.00 0.00 0.00 175.76 172.19 2qma n ASP 621 N -2.67 -2.06 -3.39 0.00 2.03 -0.54 -4.73 116.55 105.20 2qma n ASP 621 Ca 0.08 -2.41 -0.05 0.00 0.52 0.00 0.00 54.79 52.94 2qma n ASP 621 Cb 0.53 3.42 0.01 0.00 -0.72 0.00 0.00 41.12 44.36 2qma n ASP 621 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2qma s GLY 622 N -2.90 0.08 0.02 0.27 0.00 -1.26 -0.37 107.32 103.15 2qma s GLY 622 Ca 0.15 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.38 2qma s GLY 622 CO 0.10 0.95 0.37 -0.26 0.00 0.00 0.00 173.10 174.25 2qma s ILE 623 N -2.61 0.06 0.29 0.90 -5.25 -0.81 -5.00 121.20 108.78 2qma s ILE 623 Ca 0.17 -0.49 -0.27 0.00 -0.99 0.00 0.00 60.65 59.07 2qma s ILE 623 Cb -0.03 -0.83 -0.10 0.00 2.95 0.00 0.00 42.46 44.45 2qma s ILE 623 CO 0.06 -0.27 0.94 -0.36 -1.79 0.00 0.00 174.94 173.52 2qma s PHE 624 N -1.98 3.79 0.40 1.37 0.40 -1.26 -1.43 117.98 119.27 2qma s PHE 624 Ca -0.09 1.82 0.03 0.00 -0.60 0.00 0.00 56.93 58.10 2qma s PHE 624 Cb -0.02 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 2qma s PHE 624 CO 0.01 0.30 0.09 0.95 0.70 0.00 0.00 175.22 177.27 2qma s THR 625 N -1.47 0.84 -0.87 0.64 -4.23 0.14 -4.91 115.64 105.79 2qma s THR 625 Ca 0.47 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 2qma s THR 625 Cb -0.21 -2.44 0.15 0.00 1.34 0.00 0.00 72.50 71.34 2qma s THR 625 CO 0.26 0.00 1.53 -1.54 -0.54 0.00 0.00 174.62 174.33 2qma n SER 626 N -1.14 0.17 0.00 3.99 3.41 -1.26 -2.83 113.62 115.96 2qma n SER 626 Ca -0.07 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2qma n SER 626 Cb 0.66 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2qma n SER 626 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qma n GLY 627 N 0.01 0.51 0.32 5.00 0.00 -1.26 -4.29 105.19 105.48 2qma n GLY 627 Ca 0.03 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.40 2qma n GLY 627 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qma h GLY 628 N 0.00 0.44 0.55 -0.02 0.00 -1.92 -0.40 103.07 101.72 2qma h GLY 628 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qma h GLY 628 CO 0.00 0.12 -0.01 -0.84 0.00 0.00 0.00 176.54 175.81 2qma h THR 629 N 0.37 1.31 -0.45 4.70 2.02 -1.99 0.19 112.91 119.06 2qma h THR 629 Ca 0.17 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 2qma h THR 629 Cb 0.20 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2qma h THR 629 CO -0.04 0.26 -0.02 -0.61 0.37 0.00 0.00 175.52 175.49 2qma h GLN 630 N -0.48 0.75 -0.17 6.66 4.15 -1.81 -1.40 115.11 122.81 2qma h GLN 630 Ca -0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 2qma h GLN 630 Cb 0.46 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2qma h GLN 630 CO 0.00 0.77 0.00 0.77 -1.93 0.00 0.00 178.83 178.45 2qma h SER 631 N 0.70 0.30 -0.48 -0.69 0.02 -1.01 -3.09 113.55 109.29 2qma h SER 631 Ca 0.14 -0.31 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2qma h SER 631 Cb 0.46 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 2qma h SER 631 CO 0.02 0.53 0.06 0.78 -1.14 0.00 0.00 176.83 177.09 2qma h ASN 632 N 0.06 -0.07 0.00 3.07 2.35 -0.74 0.19 115.58 120.44 2qma h ASN 632 Ca 0.05 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qma h ASN 632 Cb 0.38 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2qma h ASN 632 CO 0.01 -0.01 0.00 1.67 -1.65 0.00 0.00 177.43 177.45 2qma n GLN 633 N -5.15 0.16 0.00 0.81 7.27 -0.55 -1.69 117.38 118.23 2qma n GLN 633 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2qma n GLN 633 Cb 0.25 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 31.76 2qma n GLN 633 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qma n GLY 635 N 0.51 0.00 1.30 1.69 0.00 0.06 -4.57 105.19 104.18 2qma n GLY 635 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qma n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qma n LEU 636 N 0.00 2.94 0.00 0.99 4.77 -0.68 -1.74 117.00 123.28 2qma n LEU 636 Ca 0.00 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 2qma n LEU 636 Cb 0.00 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2qma n LEU 636 CO 0.00 0.53 0.00 0.18 -1.33 0.00 0.00 177.39 176.77 2qma n LEU 638 N 1.11 0.00 -0.25 2.23 4.77 -1.26 -1.02 117.00 122.59 2qma n LEU 638 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2qma n LEU 638 Cb 0.36 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2qma n LEU 638 CO 0.00 0.00 1.09 0.00 -1.33 0.00 0.00 177.39 177.15 2qma h ALA 639 N 0.00 0.88 -0.05 -1.18 0.00 -1.73 0.11 119.26 117.29 2qma h ALA 639 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qma h ALA 639 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qma h ALA 639 CO 0.00 0.39 -0.06 -0.09 0.00 0.00 0.00 179.25 179.49 2qma h ARG 640 N 0.94 -0.08 -0.16 0.00 2.43 -1.36 -1.27 114.38 114.87 2qma h ARG 640 Ca 0.24 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 2qma h ARG 640 Cb 0.04 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2qma h ARG 640 CO -0.04 -0.05 -0.47 -0.44 -1.51 0.00 0.00 179.97 177.46 2qma h ASP 641 N -0.08 0.44 -0.49 -3.80 5.19 -1.78 -2.92 116.42 112.99 2qma h ASP 641 Ca 0.04 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.23 2qma h ASP 641 Cb 0.14 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2qma h ASP 641 CO -0.10 0.85 0.25 -0.25 -3.12 0.00 0.00 179.24 176.86 2qma h TRP 642 N 0.33 0.70 -0.18 4.55 7.01 -0.39 -1.07 115.95 126.89 2qma h TRP 642 Ca 0.02 -0.03 -0.22 0.00 2.11 0.00 0.00 58.89 60.78 2qma h TRP 642 Cb 0.95 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.80 2qma h TRP 642 CO 0.03 0.54 -0.73 0.97 -2.79 0.00 0.00 178.44 176.46 2qma h ILE 643 N 0.65 1.27 -0.65 2.65 6.09 -1.13 0.77 117.51 127.16 2qma h ILE 643 Ca 0.17 -1.92 -0.02 0.00 -1.37 0.00 0.00 64.86 61.73 2qma h ILE 643 Cb 0.10 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.26 2qma h ILE 643 CO -0.02 0.61 0.34 0.00 -3.07 0.00 0.00 178.15 176.01 2qma h ALA 644 N 0.58 1.38 -0.40 0.18 0.00 -1.42 0.11 119.26 119.68 2qma h ALA 644 Ca -0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2qma h ALA 644 Cb 1.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2qma h ALA 644 CO 0.15 0.50 -0.07 0.22 0.00 0.00 0.00 179.25 180.05 2qma h ASP 645 N 0.90 0.76 -0.05 0.00 3.58 -0.86 -1.82 116.42 118.94 2qma h ASP 645 Ca 0.23 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2qma h ASP 645 Cb 0.05 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2qma h ASP 645 CO -0.03 0.93 -0.00 0.50 -2.88 0.00 0.00 179.24 177.75 2qma h LYS 646 N 0.57 0.08 -0.41 0.28 3.64 -0.45 -0.66 116.57 119.62 2qma h LYS 646 Ca 0.10 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 2qma h LYS 646 Cb 0.59 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2qma h LYS 646 CO 0.04 0.39 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.23 2qma h LEU 647 N -0.23 0.97 -1.47 5.20 3.38 -0.83 -3.39 115.31 118.94 2qma h LEU 647 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qma h LEU 647 Cb 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qma h LEU 647 CO 0.00 1.20 -0.27 -1.54 0.09 0.00 0.00 178.44 177.92 2qma n SER 648 N -4.08 0.00 -3.61 -0.43 3.41 -0.92 -5.01 113.62 102.98 2qma n SER 648 Ca -0.01 -1.54 -0.27 0.00 -0.26 0.00 0.00 58.87 56.79 2qma n SER 648 Cb 0.51 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2qma n SER 648 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qma n GLY 649 N 0.00 -0.50 3.61 5.00 0.00 -0.26 -4.92 105.19 108.12 2qma n GLY 649 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2qma n GLY 649 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qma s HIS 650 N -3.15 3.24 -0.69 1.61 5.04 -0.73 -4.90 115.29 115.72 2qma s HIS 650 Ca 0.53 0.14 -0.27 0.00 -1.54 0.00 0.00 55.06 53.91 2qma s HIS 650 Cb -0.27 -2.35 0.03 0.00 0.04 0.00 0.00 32.58 30.03 2qma s HIS 650 CO 0.65 -0.11 1.28 0.45 -2.34 0.00 0.00 174.74 174.68 2qma s SER 651 N 1.59 6.20 0.32 9.88 0.15 -1.26 -3.36 113.70 127.22 2qma s SER 651 Ca 0.07 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2qma s SER 651 Cb -0.15 -2.56 0.52 0.00 -1.71 0.00 0.00 66.02 62.12 2qma s SER 651 CO 0.09 -1.77 1.94 0.40 1.20 0.00 0.00 173.24 175.10 2qma h ILE 652 N 6.10 1.19 -0.48 6.45 2.04 -1.88 0.16 117.51 131.10 2qma h ILE 652 Ca -0.27 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 65.18 2qma h ILE 652 Cb 1.06 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 2qma h ILE 652 CO 1.25 0.22 -0.09 -0.61 0.00 0.00 0.00 178.15 178.92 2qma h GLN 653 N 0.88 0.02 0.20 2.37 4.15 -1.87 0.55 115.11 121.41 2qma h GLN 653 Ca 0.22 -0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.30 2qma h GLN 653 Cb 0.04 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.74 2qma h GLN 653 CO -0.03 0.02 -1.65 0.87 -1.93 0.00 0.00 178.83 176.10 2qma h LYS 654 N 0.03 0.42 0.00 1.69 1.57 -1.90 -3.41 116.57 114.97 2qma h LYS 654 Ca 0.23 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2qma h LYS 654 Cb 0.36 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2qma h LYS 654 CO -0.47 1.34 -0.66 1.28 -0.57 0.00 0.00 179.45 180.36 2qma n LEU 655 N -3.61 0.48 0.00 2.94 4.77 0.54 -5.11 117.00 117.00 2qma n LEU 655 Ca -0.22 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2qma n LEU 655 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2qma n LEU 655 CO 0.54 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2qma n GLY 656 N 1.34 -2.17 3.77 -0.72 0.00 0.18 -4.91 105.19 102.67 2qma n GLY 656 Ca 0.02 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 2qma n GLY 656 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qma s LEU 657 N 0.00 4.15 0.88 0.99 1.43 -1.26 -4.26 118.68 120.60 2qma s LEU 657 Ca 0.00 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 2qma s LEU 657 Cb 0.00 -3.92 0.12 0.00 0.03 0.00 0.00 46.19 42.42 2qma s LEU 657 CO 0.00 -1.09 1.11 -2.16 0.23 0.00 0.00 176.35 174.44 2qma s PRO 658 N -2.39 1.36 0.57 1.29 0.04 -1.26 -4.91 135.00 129.70 2qma s PRO 658 Ca 0.60 1.24 0.31 0.00 0.04 0.00 0.00 61.00 63.19 2qma s PRO 658 Cb -0.42 -1.79 1.71 0.00 0.04 0.00 0.00 34.50 34.04 2qma s PRO 658 CO 0.55 -2.29 2.17 0.22 0.04 0.00 0.00 177.00 177.68 2qma h ASP 659 N -1.61 0.00 -0.13 6.66 3.58 -2.01 -1.52 116.42 121.39 2qma h ASP 659 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2qma h ASP 659 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2qma h ASP 659 CO 0.48 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 2qma n TYR 660 N -3.57 0.17 -0.04 0.28 0.18 -1.26 -4.32 117.16 108.60 2qma n TYR 660 Ca -0.02 -0.09 0.17 0.00 1.88 0.00 0.00 57.90 59.85 2qma n TYR 660 Cb 0.17 0.00 0.62 0.00 -0.38 0.00 0.00 39.34 39.75 2qma n TYR 660 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2qma h ALA 661 N 3.58 2.33 0.00 -3.48 0.00 -1.63 -1.17 119.26 118.89 2qma h ALA 661 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qma h ALA 661 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qma h ALA 661 CO 0.00 -0.48 0.00 0.38 0.00 0.00 0.00 179.25 179.15 2qma h ASP 662 N 0.15 0.00 1.02 0.00 2.03 -1.84 -1.73 116.42 116.05 2qma h ASP 662 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2qma h ASP 662 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2qma h ASP 662 CO -0.04 0.00 -0.92 0.11 -1.03 0.00 0.00 179.24 177.37 2qma h LYS 663 N 0.00 0.00 -6.90 4.15 1.57 -1.55 -3.48 116.57 110.36 2qma h LYS 663 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2qma h LYS 663 Cb 0.19 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.58 2qma h LYS 663 CO 0.00 0.00 0.68 -0.51 -0.57 0.00 0.00 179.45 179.05 2qma s LEU 664 N -5.25 4.38 -0.01 2.94 1.43 -0.65 -1.24 118.68 120.28 2qma s LEU 664 Ca 0.01 2.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.92 2qma s LEU 664 Cb 0.10 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2qma s LEU 664 CO 0.78 -0.66 -0.03 -0.13 0.23 0.00 0.00 176.35 176.54 2qma s ARG 665 N -1.92 0.30 -0.20 1.70 1.81 -0.40 -4.64 118.95 115.60 2qma s ARG 665 Ca 0.51 -0.10 -0.06 0.00 -1.72 0.00 0.00 55.73 54.36 2qma s ARG 665 Cb -0.42 -0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 2qma s ARG 665 CO 0.56 0.04 0.03 0.42 -0.68 0.00 0.00 175.30 175.67 2qma s ILE 666 N 0.10 4.24 -0.16 1.52 1.01 0.62 -1.37 121.20 127.16 2qma s ILE 666 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 2qma s ILE 666 Cb -0.03 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2qma s ILE 666 CO -0.00 0.42 0.33 -0.69 0.00 0.00 0.00 174.94 175.00 2qma s VAL 667 N 0.88 5.28 0.31 2.92 1.01 0.29 -4.35 120.40 126.74 2qma s VAL 667 Ca 0.02 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.56 2qma s VAL 667 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2qma s VAL 667 CO 0.02 0.37 0.47 0.00 0.00 0.00 0.00 175.10 175.96 2qma s SER 669 N -3.16 5.93 0.66 0.00 1.04 -1.26 0.19 113.70 117.09 2qma s SER 669 Ca 0.28 0.39 0.42 0.00 0.48 0.00 0.00 55.95 57.51 2qma s SER 669 Cb -0.00 -1.68 2.29 0.00 0.10 0.00 0.00 66.02 66.73 2qma s SER 669 CO 0.16 -0.64 2.32 0.11 0.98 0.00 0.00 173.24 176.17 2qma h LYS 670 N 0.41 0.00 -0.71 4.02 1.57 -1.62 -2.55 116.57 117.69 2qma h LYS 670 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2qma h LYS 670 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2qma h LYS 670 CO 0.58 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.09 2qma n LYS 671 N -3.16 2.81 -1.30 3.15 4.76 -1.26 -4.99 118.16 118.17 2qma n LYS 671 Ca -0.03 -2.65 -0.31 0.00 -2.87 0.00 0.00 58.31 52.45 2qma n LYS 671 Cb 0.11 -1.58 0.09 0.00 -1.84 0.00 0.00 35.03 31.81 2qma n LYS 671 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qma s SER 672 N -1.00 4.61 0.33 4.39 0.01 -0.96 -4.55 113.70 116.53 2qma s SER 672 Ca 0.48 1.79 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 2qma s SER 672 Cb 0.25 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 2qma s SER 672 CO 0.32 -1.96 1.32 -2.28 0.41 0.00 0.00 173.24 171.04 2qma s HIS 673 N -2.92 3.03 -0.80 2.43 2.46 -1.26 -4.89 115.29 113.33 2qma s HIS 673 Ca 0.61 1.39 0.09 0.00 0.47 0.00 0.00 55.06 57.62 2qma s HIS 673 Cb -0.17 -3.70 0.45 0.00 -0.13 0.00 0.00 32.58 29.03 2qma s HIS 673 CO 0.56 -1.93 1.29 1.97 -2.47 0.00 0.00 174.74 174.16 2qma n PHE 674 N 0.85 0.21 0.48 3.88 -1.74 -1.26 -1.23 117.46 118.65 2qma n PHE 674 Ca 0.00 0.10 0.05 0.00 -0.56 0.00 0.00 57.45 57.05 2qma n PHE 674 Cb 0.42 -0.66 0.27 0.00 1.52 0.00 0.00 39.48 41.02 2qma n PHE 674 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2qma n THR 675 N -1.71 0.90 0.08 1.97 -2.24 -1.26 -1.43 114.28 110.58 2qma n THR 675 Ca 0.01 0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2qma n THR 675 Cb 0.06 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.18 2qma n THR 675 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2qma h VAL 676 N 0.00 0.84 -0.58 2.28 2.07 -1.54 0.84 116.25 120.15 2qma h VAL 676 Ca 0.00 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2qma h VAL 676 Cb 0.14 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2qma h VAL 676 CO 0.00 0.20 0.36 1.56 0.02 0.00 0.00 177.57 179.71 2qma h GLN 677 N -0.81 0.69 -0.35 1.57 7.50 -1.73 -0.73 115.11 121.25 2qma h GLN 677 Ca -0.03 -0.04 -0.11 0.00 0.50 0.00 0.00 58.65 58.98 2qma h GLN 677 Cb 0.52 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.88 2qma h GLN 677 CO 0.04 0.46 -0.21 0.87 -1.50 0.00 0.00 178.83 178.49 2qma h LYS 678 N 0.71 0.68 -0.33 1.46 1.57 -1.30 -0.87 116.57 118.50 2qma h LYS 678 Ca 0.23 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qma h LYS 678 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2qma h LYS 678 CO -0.09 0.84 0.12 0.77 -0.57 0.00 0.00 179.45 180.53 2qma h SER 679 N 0.60 0.46 -0.73 0.86 0.02 -0.58 -0.81 113.55 113.37 2qma h SER 679 Ca 0.09 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2qma h SER 679 Cb 0.69 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 2qma h SER 679 CO 0.05 0.51 0.48 0.00 -1.14 0.00 0.00 176.83 176.73 2qma h ALA 680 N 0.97 0.92 -0.58 3.77 0.00 -0.53 -2.53 119.26 121.28 2qma h ALA 680 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qma h ALA 680 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qma h ALA 680 CO -0.01 0.35 0.30 0.77 0.00 0.00 0.00 179.25 180.66 2qma h SER 681 N 0.99 0.74 0.00 0.00 0.02 -0.94 -0.52 113.55 113.84 2qma h SER 681 Ca 0.27 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2qma h SER 681 Cb -0.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2qma h SER 681 CO -0.06 0.64 0.00 0.79 -1.14 0.00 0.00 176.83 177.06 2qma n TRP 682 N -4.57 0.00 -0.80 3.45 8.01 -0.33 -4.54 117.44 118.66 2qma n TRP 682 Ca 0.03 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 2qma n TRP 682 Cb 0.10 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 2qma n TRP 682 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qma n GLY 684 N 0.72 -0.09 0.09 6.99 0.00 -1.07 -5.08 105.19 106.75 2qma n GLY 684 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qma n GLY 684 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qma n LEU 685 N -0.03 0.61 0.00 0.99 4.77 -0.29 -5.07 117.00 117.98 2qma n LEU 685 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2qma n LEU 685 Cb 0.26 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2qma n LEU 685 CO 0.00 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2qma n GLY 686 N 1.54 -1.77 0.31 -0.72 0.00 -0.69 -3.98 105.19 99.88 2qma n GLY 686 Ca -0.18 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.44 2qma n GLY 686 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qma h GLU 687 N 0.00 0.02 0.00 1.61 5.08 -1.86 -1.31 114.58 118.12 2qma h GLU 687 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qma h GLU 687 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qma h GLU 687 CO 0.00 0.01 0.00 -0.22 -1.00 0.00 0.00 179.01 177.80 2qma h LYS 688 N 0.02 0.00 0.00 2.33 3.11 -1.97 -1.55 116.57 118.52 2qma h LYS 688 Ca 0.11 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2qma h LYS 688 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2qma h LYS 688 CO -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.64 2qma n ALA 689 N -1.84 2.04 -2.48 5.00 0.00 -0.49 -5.01 120.51 117.72 2qma n ALA 689 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2qma n ALA 689 Cb 0.14 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.21 2qma n ALA 689 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qma n VAL 690 N -2.11 0.00 -3.55 0.00 0.31 -0.59 -0.28 118.33 112.12 2qma n VAL 690 Ca 0.04 -0.70 -0.16 0.00 -0.01 0.00 0.00 64.34 63.51 2qma n VAL 690 Cb 0.34 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 2qma n VAL 690 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qma s THR 692 N -1.12 0.00 0.03 2.52 -4.23 -1.26 -4.93 115.64 106.66 2qma s THR 692 Ca 0.28 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2qma s THR 692 Cb -0.02 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 2qma s THR 692 CO 0.19 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.43 2qma s VAL 693 N -0.87 3.02 0.50 2.29 1.01 0.13 -4.92 120.40 121.56 2qma s VAL 693 Ca -0.08 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 2qma s VAL 693 Cb -0.01 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 2qma s VAL 693 CO 0.07 0.35 1.14 0.47 0.00 0.00 0.00 175.10 177.13 2qma n ASP 694 N 1.53 1.76 -4.90 3.32 8.00 -1.26 -1.72 116.55 123.29 2qma n ASP 694 Ca -0.16 0.97 -0.34 0.00 0.71 0.00 0.00 54.79 55.98 2qma n ASP 694 Cb 0.52 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.12 2qma n ASP 694 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma s ALA 695 N -1.33 3.92 1.00 2.24 0.00 -1.26 0.01 121.76 126.34 2qma s ALA 695 Ca 0.68 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 2qma s ALA 695 Cb -0.47 -1.94 0.19 0.00 0.00 0.00 0.00 23.12 20.90 2qma s ALA 695 CO 0.53 0.72 1.08 -0.80 0.00 0.00 0.00 175.76 177.29 2qma s ASN 696 N -1.90 2.47 0.33 0.00 0.01 0.13 -4.72 114.94 111.25 2qma s ASN 696 Ca 0.28 1.58 0.01 0.00 -0.71 0.00 0.00 52.86 54.02 2qma s ASN 696 Cb -0.13 -2.24 0.57 0.00 0.41 0.00 0.00 41.25 39.85 2qma s ASN 696 CO 0.18 -3.28 1.98 0.00 -1.51 0.00 0.00 177.10 174.47 2qma h ALA 697 N -1.99 1.51 0.00 0.60 0.00 -2.00 -1.77 119.26 115.61 2qma h ALA 697 Ca -0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qma h ALA 697 Cb 1.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qma h ALA 697 CO 0.51 0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.79 2qma n ASP 698 N -4.44 0.00 0.00 0.00 5.75 -1.26 -4.86 116.55 111.74 2qma n ASP 698 Ca 0.09 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 2qma n ASP 698 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2qma n ASP 698 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qma n GLY 699 N 0.07 2.06 0.00 6.12 0.00 -0.67 -4.50 105.19 108.28 2qma n GLY 699 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qma n GLY 699 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qma n THR 700 N -2.00 0.00 -3.90 2.61 -2.24 -1.26 -4.72 114.28 102.76 2qma n THR 700 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2qma n THR 700 Cb 0.00 -0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 2qma n THR 700 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qma s ASP 702 N -1.40 4.44 0.00 3.42 -1.08 0.10 0.23 116.67 122.38 2qma s ASP 702 Ca 0.00 -1.91 0.27 0.00 -0.52 0.00 0.00 52.55 50.39 2qma s ASP 702 Cb 0.00 -1.31 1.33 0.00 -1.46 0.00 0.00 42.92 41.47 2qma s ASP 702 CO 0.00 -0.39 1.91 2.30 0.52 0.00 0.00 175.17 179.51 2qma n ILE 703 N 4.50 0.13 -0.22 4.11 -5.35 -1.26 -3.82 119.36 117.45 2qma n ILE 703 Ca 0.01 0.03 0.03 0.00 -0.27 0.00 0.00 62.75 62.55 2qma n ILE 703 Cb 0.42 -0.59 0.14 0.00 -1.74 0.00 0.00 39.64 37.87 2qma n ILE 703 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2qma h THR 704 N 0.00 0.53 -0.19 7.28 2.02 -2.03 -2.81 112.91 117.72 2qma h THR 704 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qma h THR 704 Cb 0.28 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2qma h THR 704 CO 0.00 0.04 -0.00 0.29 0.37 0.00 0.00 175.52 176.22 2qma n LYS 705 N -5.20 2.46 -0.04 6.66 4.76 -1.25 -4.73 118.16 120.83 2qma n LYS 705 Ca 0.11 -2.78 -0.14 0.00 -2.87 0.00 0.00 58.31 52.64 2qma n LYS 705 Cb 0.40 -1.75 -0.08 0.00 -1.84 0.00 0.00 35.03 31.75 2qma n LYS 705 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qma h LEU 706 N 1.30 0.33 -0.52 -0.35 5.85 -1.66 -0.43 115.31 119.83 2qma h LEU 706 Ca 0.00 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.22 2qma h LEU 706 Cb 1.33 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2qma h LEU 706 CO 0.16 0.82 0.26 -0.78 -0.34 0.00 0.00 178.44 178.56 2qma h ASP 707 N -0.15 0.38 -0.16 1.25 3.58 -1.85 -1.96 116.42 117.51 2qma h ASP 707 Ca 0.01 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2qma h ASP 707 Cb 0.76 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2qma h ASP 707 CO 0.04 0.26 -0.29 1.05 -2.88 0.00 0.00 179.24 177.42 2qma h GLU 708 N 0.51 0.64 -0.38 0.28 4.11 -1.83 -0.44 114.58 117.46 2qma h GLU 708 Ca 0.23 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2qma h GLU 708 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qma h GLU 708 CO -0.16 0.86 0.25 0.28 0.07 0.00 0.00 179.01 180.31 2qma h VAL 709 N 0.55 1.10 -0.20 -1.06 2.07 -0.80 0.37 116.25 118.29 2qma h VAL 709 Ca 0.07 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2qma h VAL 709 Cb 0.77 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2qma h VAL 709 CO 0.06 0.10 -0.01 0.40 0.02 0.00 0.00 177.57 178.14 2qma h ILE 710 N 0.52 1.26 -0.71 4.57 2.04 -1.22 -1.66 117.51 122.32 2qma h ILE 710 Ca 0.14 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2qma h ILE 710 Cb -0.05 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2qma h ILE 710 CO -0.03 0.27 0.44 0.00 0.00 0.00 0.00 178.15 178.83 2qma h ALA 711 N 0.78 0.93 -0.33 1.87 0.00 -0.88 -1.04 119.26 120.60 2qma h ALA 711 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2qma h ALA 711 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qma h ALA 711 CO 0.01 0.20 -0.33 0.37 0.00 0.00 0.00 179.25 179.51 2qma h GLN 712 N 0.85 0.71 -0.14 0.00 5.75 -0.87 -0.09 115.11 121.32 2qma h GLN 712 Ca 0.29 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2qma h GLN 712 Cb 0.05 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2qma h GLN 712 CO -0.12 0.94 -0.04 0.00 -2.65 0.00 0.00 178.83 176.96 2qma h ALA 713 N 1.03 0.09 -0.57 3.38 0.00 -0.75 -0.94 119.26 121.50 2qma h ALA 713 Ca 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qma h ALA 713 Cb 0.85 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2qma h ALA 713 CO 0.07 -0.48 0.20 0.87 0.00 0.00 0.00 179.25 179.91 2qma h LYS 714 N -0.00 0.83 -0.31 0.00 1.57 -0.92 -0.99 116.57 116.76 2qma h LYS 714 Ca 0.07 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2qma h LYS 714 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2qma h LYS 714 CO -0.14 0.70 0.07 0.00 -0.57 0.00 0.00 179.45 179.50 2qma h ALA 715 N 1.41 1.55 0.00 3.86 0.00 -0.64 -2.05 119.26 123.38 2qma h ALA 715 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qma h ALA 715 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qma h ALA 715 CO -0.01 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.97 2qma n GLU 716 N -4.36 0.93 -0.45 0.00 1.02 -0.39 -4.90 120.64 112.48 2qma n GLU 716 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2qma n GLU 716 Cb 0.18 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2qma n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qma n GLY 717 N 0.75 0.75 3.82 0.62 0.00 -0.77 -5.07 105.19 105.28 2qma n GLY 717 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2qma n GLY 717 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qma s LEU 718 N 0.00 3.16 -0.58 0.99 1.43 -0.42 -4.92 118.68 118.35 2qma s LEU 718 Ca 0.00 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 2qma s LEU 718 Cb 0.00 -4.50 0.16 0.00 0.03 0.00 0.00 46.19 41.88 2qma s LEU 718 CO 0.00 -1.41 0.40 -0.63 0.23 0.00 0.00 176.35 174.94 2qma s ILE 719 N -3.00 2.06 -0.08 -0.59 1.01 -0.38 -3.93 121.20 116.30 2qma s ILE 719 Ca 0.58 -3.56 -0.29 0.00 0.00 0.00 0.00 60.65 57.38 2qma s ILE 719 Cb -0.14 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 2qma s ILE 719 CO 0.54 -1.02 1.77 -2.84 0.00 0.00 0.00 174.94 173.39 2qma s PRO 720 N -0.73 4.01 -0.00 2.79 0.02 -1.26 -1.28 135.00 138.54 2qma s PRO 720 Ca 0.25 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.46 2qma s PRO 720 Cb -0.08 -4.07 -0.01 0.00 0.02 0.00 0.00 34.50 30.36 2qma s PRO 720 CO -0.13 -1.07 0.02 1.97 -0.33 0.00 0.00 177.00 177.46 2qma n PHE 721 N 7.88 0.00 -3.87 6.54 1.16 -0.47 -4.90 117.46 123.80 2qma n PHE 721 Ca 0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.67 2qma n PHE 721 Cb 0.43 -0.01 -0.09 0.00 -1.61 0.00 0.00 39.48 38.20 2qma n PHE 721 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qma s ALA 722 N -1.60 -0.29 -0.01 1.98 0.00 -1.22 -0.99 121.76 119.62 2qma s ALA 722 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2qma s ALA 722 Cb 0.00 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2qma s ALA 722 CO 0.03 -0.31 0.00 -1.50 0.00 0.00 0.00 175.76 173.98 2qma s ILE 723 N -2.23 0.09 -0.27 0.00 2.07 0.19 -0.55 121.20 120.50 2qma s ILE 723 Ca -0.08 0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.11 2qma s ILE 723 Cb -0.03 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 2qma s ILE 723 CO -0.02 0.08 0.16 -0.69 -1.91 0.00 0.00 174.94 172.56 2qma s VAL 724 N 0.56 5.01 -0.18 4.00 1.01 0.51 -1.50 120.40 129.80 2qma s VAL 724 Ca -0.05 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 2qma s VAL 724 Cb -0.08 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2qma s VAL 724 CO -0.01 0.26 0.31 -0.83 0.00 0.00 0.00 175.10 174.83 2qma s GLY 725 N 1.71 2.14 -0.25 4.51 0.00 -0.38 -4.55 107.32 110.51 2qma s GLY 725 Ca 0.07 -0.53 -0.09 0.00 0.00 0.00 0.00 44.72 44.17 2qma s GLY 725 CO 0.09 0.56 0.13 -1.59 0.00 0.00 0.00 173.10 172.29 2qma s THR 726 N 0.82 4.88 -1.07 0.90 2.01 -1.26 -0.80 115.64 121.12 2qma s THR 726 Ca 0.16 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2qma s THR 726 Cb -0.14 -3.29 0.27 0.00 0.01 0.00 0.00 72.50 69.35 2qma s THR 726 CO 0.05 0.32 1.05 0.00 -0.69 0.00 0.00 174.62 175.35 2qma s ALA 727 N 1.48 4.64 0.00 7.40 0.00 -0.27 -1.23 121.76 133.78 2qma s ALA 727 Ca 0.06 -3.83 0.00 0.00 0.00 0.00 0.00 51.96 48.19 2qma s ALA 727 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2qma s ALA 727 CO 0.06 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 174.04 2qma n GLY 728 N 2.68 0.72 3.74 0.00 0.00 -0.37 -0.14 105.19 111.83 2qma n GLY 728 Ca 0.23 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2qma n GLY 728 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qma s THR 729 N 0.00 2.98 0.13 2.61 -4.23 -0.25 -4.43 115.64 112.45 2qma s THR 729 Ca 0.00 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.69 2qma s THR 729 Cb 0.00 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 2qma s THR 729 CO 0.00 -0.41 1.58 0.74 -0.54 0.00 0.00 174.62 175.98 2qma h THR 730 N -1.31 1.26 0.02 3.99 2.02 -1.93 -1.20 112.91 115.75 2qma h THR 730 Ca -0.43 -1.03 -0.23 0.00 0.77 0.00 0.00 66.41 65.48 2qma h THR 730 Cb 1.24 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 2qma h THR 730 CO 0.49 0.35 -1.24 0.44 0.37 0.00 0.00 175.52 175.93 2qma h ASP 731 N 0.58 0.07 0.81 4.18 3.32 -1.92 -3.41 116.42 120.04 2qma h ASP 731 Ca 0.12 -0.61 -0.21 0.00 0.02 0.00 0.00 57.03 56.34 2qma h ASP 731 Cb 0.49 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2qma h ASP 731 CO 0.02 1.50 -1.30 0.45 -1.72 0.00 0.00 179.24 178.19 2qma h HIS 732 N -0.85 0.00 -0.21 4.55 3.86 -1.91 -3.44 115.15 117.15 2qma h HIS 732 Ca -0.33 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.79 2qma h HIS 732 Cb 1.38 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.82 2qma h HIS 732 CO 0.11 0.81 -0.08 0.41 0.86 0.00 0.00 177.93 180.04 2qma n GLY 733 N 1.42 0.69 3.76 2.45 0.00 -0.45 -3.57 105.19 109.49 2qma n GLY 733 Ca -0.08 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2qma n GLY 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qma s ALA 734 N -2.00 2.97 -0.28 4.61 0.00 -1.26 -3.96 121.76 121.83 2qma s ALA 734 Ca 0.00 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 2qma s ALA 734 Cb 0.00 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.70 2qma s ALA 734 CO 0.00 -0.96 -0.04 0.42 0.00 0.00 0.00 175.76 175.17 2qma s ILE 735 N -1.40 2.71 0.82 0.00 1.01 -1.26 -1.09 121.20 121.99 2qma s ILE 735 Ca 0.65 -1.42 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 2qma s ILE 735 Cb -0.35 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.58 2qma s ILE 735 CO 0.42 -0.04 0.59 0.47 0.00 0.00 0.00 174.94 176.38 2qma n ASP 736 N 4.57 -1.15 -4.57 3.58 8.00 -0.37 -4.84 116.55 121.77 2qma n ASP 736 Ca -0.14 0.50 -0.32 0.00 0.71 0.00 0.00 54.79 55.54 2qma n ASP 736 Cb 0.43 -1.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.23 2qma n ASP 736 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qma s ASP 737 N -1.77 5.55 0.32 -2.24 -1.08 -1.26 -4.80 116.67 111.39 2qma s ASP 737 Ca 0.64 -1.44 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 2qma s ASP 737 Cb -0.29 -2.58 0.55 0.00 -1.46 0.00 0.00 42.92 39.15 2qma s ASP 737 CO 0.60 -2.46 1.86 -0.07 0.52 0.00 0.00 175.17 175.62 2qma h LEU 738 N 16.31 0.55 -0.45 -1.34 3.38 -1.89 -1.66 115.31 130.21 2qma h LEU 738 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2qma h LEU 738 Cb 0.96 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2qma h LEU 738 CO 1.28 0.61 0.10 -0.78 0.09 0.00 0.00 178.44 179.74 2qma h ASP 739 N 0.57 0.69 -0.29 -0.43 3.58 -1.77 -0.37 116.42 118.39 2qma h ASP 739 Ca 0.12 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.23 2qma h ASP 739 Cb 0.33 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2qma h ASP 739 CO 0.01 0.75 -0.18 0.15 -2.88 0.00 0.00 179.24 177.09 2qma h PHE 740 N 0.59 0.84 -0.84 0.28 3.57 -1.83 -1.42 116.94 118.13 2qma h PHE 740 Ca 0.14 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2qma h PHE 740 Cb 0.34 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2qma h PHE 740 CO 0.02 0.87 0.43 0.82 -2.23 0.00 0.00 178.31 178.22 2qma h ILE 741 N 0.67 1.25 -0.46 1.41 2.04 -1.18 -1.83 117.51 119.41 2qma h ILE 741 Ca 0.10 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 2qma h ILE 741 Cb 0.67 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2qma h ILE 741 CO 0.05 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.54 2qma h ALA 742 N 1.23 1.21 0.00 1.87 0.00 -0.72 -0.64 119.26 122.21 2qma h ALA 742 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qma h ALA 742 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qma h ALA 742 CO -0.04 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.49 2qma n ASP 743 N -4.25 1.97 0.00 0.00 8.00 -0.57 -1.34 116.55 120.36 2qma n ASP 743 Ca 0.03 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.25 2qma n ASP 743 Cb 0.26 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2qma n ASP 743 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma n ALA 745 N 1.06 0.00 0.00 2.24 0.00 -0.25 -1.48 120.51 122.08 2qma n ALA 745 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2qma n ALA 745 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 2qma n ALA 745 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qma h VAL 746 N 0.00 1.20 -0.39 0.00 2.07 -1.48 -0.17 116.25 117.48 2qma h VAL 746 Ca 0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2qma h VAL 746 Cb 0.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2qma h VAL 746 CO 0.00 0.16 0.24 0.50 0.02 0.00 0.00 177.57 178.49 2qma h LYS 747 N -0.19 0.52 -0.35 1.57 3.64 -1.54 -3.04 116.57 117.18 2qma h LYS 747 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qma h LYS 747 Cb 0.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2qma h LYS 747 CO 0.00 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.28 2qma n HIS 748 N -4.79 0.45 -2.78 1.91 8.25 -1.24 -5.24 115.22 111.78 2qma n HIS 748 Ca 0.00 -0.22 -0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2qma n HIS 748 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2qma n HIS 748 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qma n ASP 749 N 1.19 -7.87 -0.64 0.41 8.00 -0.08 -4.97 116.55 112.60 2qma n ASP 749 Ca 0.19 1.30 0.00 0.00 0.71 0.00 0.00 54.79 56.98 2qma n ASP 749 Cb 0.53 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 2qma n ASP 749 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2qma n TRP 751 N 0.77 -0.13 -3.50 1.24 -0.00 -0.17 -4.90 117.44 110.77 2qma n TRP 751 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 2qma n TRP 751 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.33 2qma n TRP 751 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2qma s HIS 753 N 0.54 -0.19 -0.33 5.87 2.46 -0.56 -0.64 115.29 122.45 2qma s HIS 753 Ca 0.00 0.37 -0.14 0.00 0.47 0.00 0.00 55.06 55.76 2qma s HIS 753 Cb 0.00 0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.54 2qma s HIS 753 CO 0.00 -0.10 0.30 0.08 -2.47 0.00 0.00 174.74 172.55 2qma s VAL 754 N 1.49 5.23 -0.83 0.89 1.01 0.61 -1.25 120.40 127.55 2qma s VAL 754 Ca -0.05 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2qma s VAL 754 Cb -0.02 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.70 2qma s VAL 754 CO -0.13 0.00 1.15 -0.62 0.00 0.00 0.00 175.10 175.50 2qma s ASP 755 N 1.73 6.39 -0.40 3.32 -1.08 0.02 -1.37 116.67 125.27 2qma s ASP 755 Ca 0.09 -1.37 0.05 0.00 -0.52 0.00 0.00 52.55 50.81 2qma s ASP 755 Cb -0.17 -2.46 0.58 0.00 -1.46 0.00 0.00 42.92 39.42 2qma s ASP 755 CO 0.11 -1.37 1.73 0.61 0.52 0.00 0.00 175.17 176.77 2qma n GLY 756 N 5.68 4.82 0.25 2.66 0.00 -0.41 -1.11 105.19 117.09 2qma n GLY 756 Ca 0.13 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.89 2qma n GLY 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qma h ALA 757 N 1.11 0.88 0.00 4.61 0.00 -1.78 -0.25 119.26 123.83 2qma h ALA 757 Ca 0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2qma h ALA 757 Cb 2.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2qma h ALA 757 CO 0.85 -0.20 -0.01 -0.92 0.00 0.00 0.00 179.25 178.97 2qma h TYR 758 N 0.42 0.00 -0.04 0.00 3.20 -1.77 -3.30 116.97 115.48 2qma h TYR 758 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2qma h TYR 758 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2qma h TYR 758 CO -0.17 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.76 2qma n GLY 759 N 1.92 -0.17 0.37 1.82 0.00 0.80 -3.74 105.19 106.19 2qma n GLY 759 Ca -0.00 -0.38 0.16 0.00 0.00 0.00 0.00 46.02 45.80 2qma n GLY 759 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qma h GLY 760 N 4.94 0.28 1.88 -0.02 0.00 -1.12 -1.43 103.07 107.60 2qma h GLY 760 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2qma h GLY 760 CO 0.00 0.04 0.05 0.00 0.00 0.00 0.00 176.54 176.62 2qma h ALA 761 N 1.72 1.60 0.00 3.60 0.00 -1.78 -2.31 119.26 122.10 2qma h ALA 761 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qma h ALA 761 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qma h ALA 761 CO -0.04 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.42 2qma n LEU 762 N -3.85 0.41 -0.02 0.00 4.77 -0.54 -1.76 117.00 116.02 2qma n LEU 762 Ca -0.02 0.64 0.23 0.00 -0.03 0.00 0.00 56.01 56.84 2qma n LEU 762 Cb 0.14 -0.64 0.72 0.00 -2.33 0.00 0.00 43.42 41.31 2qma n LEU 762 CO 0.27 -0.64 1.21 -0.29 -1.33 0.00 0.00 177.39 176.62 2qma h ILE 763 N 0.00 0.44 -0.01 -0.08 6.09 -1.61 -1.37 117.51 120.97 2qma h ILE 763 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2qma h ILE 763 Cb 0.16 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.04 2qma h ILE 763 CO 0.00 0.00 -0.37 0.18 -3.07 0.00 0.00 178.15 174.89 2qma n LEU 764 N -3.93 1.28 0.00 2.19 4.77 -0.72 -4.75 117.00 115.85 2qma n LEU 764 Ca 0.12 -0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 55.50 2qma n LEU 764 Cb 0.77 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.82 2qma n LEU 764 CO 0.32 0.24 0.27 -1.54 -1.33 0.00 0.00 177.39 175.35 2qma n SER 765 N -0.55 2.18 0.00 -1.43 3.41 -0.53 -3.91 113.62 112.79 2qma n SER 765 Ca 0.11 -2.54 0.08 0.00 -0.26 0.00 0.00 58.87 56.25 2qma n SER 765 Cb 0.38 -0.30 0.41 0.00 -0.26 0.00 0.00 64.21 64.44 2qma n SER 765 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qma n SER 766 N -2.22 0.00 -0.70 4.04 7.64 -1.26 -2.74 113.62 118.38 2qma n SER 766 Ca 0.11 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.06 2qma n SER 766 Cb 0.57 -0.26 0.20 0.00 -1.01 0.00 0.00 64.21 63.71 2qma n SER 766 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qma n HIS 767 N -1.26 0.65 -0.33 1.43 8.25 -1.26 -4.64 115.22 118.06 2qma n HIS 767 Ca 0.08 -0.71 0.24 0.00 -0.26 0.00 0.00 57.72 57.07 2qma n HIS 767 Cb 0.12 -0.18 0.47 0.00 1.12 0.00 0.00 29.99 31.52 2qma n HIS 767 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qma h LYS 768 N 1.71 0.27 -0.98 -0.41 3.64 -1.38 -0.74 116.57 118.68 2qma h LYS 768 Ca 0.00 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.64 2qma h LYS 768 Cb 1.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 2qma h LYS 768 CO 0.11 0.18 0.70 0.66 -2.27 0.00 0.00 179.45 178.83 2qma h SER 769 N 0.28 0.04 0.30 4.20 4.64 -1.89 -1.17 113.55 119.96 2qma h SER 769 Ca 0.73 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 62.05 2qma h SER 769 Cb 1.67 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2qma h SER 769 CO -0.63 0.01 -0.04 0.03 -0.87 0.00 0.00 176.83 175.33 2qma h ARG 770 N 0.04 0.00 -0.28 4.77 3.08 -1.51 -1.69 114.38 118.78 2qma h ARG 770 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2qma h ARG 770 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.87 2qma h ARG 770 CO -0.03 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 2qma n LEU 771 N -3.39 2.17 -4.61 3.04 4.77 -0.44 -4.84 117.00 113.69 2qma n LEU 771 Ca -0.02 -0.97 -0.58 0.00 -0.03 0.00 0.00 56.01 54.41 2qma n LEU 771 Cb 0.17 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2qma n LEU 771 CO 0.26 0.48 0.92 1.17 -1.33 0.00 0.00 177.39 178.89 2qma n LYS 772 N 0.66 0.59 0.00 3.23 3.00 -0.64 -0.17 118.16 124.82 2qma n LYS 772 Ca 0.16 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2qma n LYS 772 Cb 0.39 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2qma n LYS 772 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qma n GLY 773 N 2.77 2.38 0.36 3.14 0.00 -1.26 -2.47 105.19 110.11 2qma n GLY 773 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 2qma n GLY 773 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qma h VAL 774 N 0.00 0.91 0.00 1.61 3.04 -0.86 -1.35 116.25 119.59 2qma h VAL 774 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2qma h VAL 774 Cb 0.00 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 2qma h VAL 774 CO 0.00 0.11 0.00 -1.84 -1.01 0.00 0.00 177.57 174.83 2qma n GLU 775 N -4.49 0.14 0.00 4.17 0.00 -1.26 -2.14 120.64 117.05 2qma n GLU 775 Ca 0.13 0.50 0.12 0.00 0.00 0.00 0.00 57.16 57.90 2qma n GLU 775 Cb 0.37 -1.84 0.07 0.00 0.00 0.00 0.00 31.44 30.04 2qma n GLU 775 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2qma n ARG 776 N -2.11 1.58 -1.71 3.44 1.74 -0.51 -4.57 116.66 114.51 2qma n ARG 776 Ca 0.01 -1.28 -0.39 0.00 -0.77 0.00 0.00 57.85 55.42 2qma n ARG 776 Cb 0.13 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.13 2qma n ARG 776 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qma n ALA 777 N 0.40 1.32 -0.08 7.54 0.00 -0.91 -4.93 120.51 123.86 2qma n ALA 777 Ca 0.11 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 2qma n ALA 777 Cb 0.50 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.66 2qma n ALA 777 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qma h HIS 778 N 1.50 0.99 -3.59 0.00 3.86 -1.93 -3.36 115.15 112.61 2qma h HIS 778 Ca -0.50 -0.31 -0.13 0.00 -1.16 0.00 0.00 60.37 58.27 2qma h HIS 778 Cb 1.31 -0.20 -0.19 0.00 1.06 0.00 0.00 27.41 29.39 2qma h HIS 778 CO 0.45 1.10 -0.47 -1.54 0.86 0.00 0.00 177.93 178.33 2qma s SER 779 N -6.87 0.06 -0.03 2.45 1.04 -1.26 -2.39 113.70 106.70 2qma s SER 779 Ca -0.10 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 2qma s SER 779 Cb 0.11 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2qma s SER 779 CO 0.87 -0.45 0.03 -0.63 0.98 0.00 0.00 173.24 174.03 2qma s ILE 780 N -1.96 0.04 -0.10 -1.02 1.01 0.26 -0.28 121.20 119.15 2qma s ILE 780 Ca -0.10 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 2qma s ILE 780 Cb -0.04 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 2qma s ILE 780 CO -0.01 0.15 0.25 -0.94 0.00 0.00 0.00 174.94 174.39 2qma s SER 781 N 1.43 6.50 -0.11 3.58 1.04 -0.47 -0.36 113.70 125.30 2qma s SER 781 Ca -0.04 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2qma s SER 781 Cb -0.13 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2qma s SER 781 CO -0.03 0.29 -0.11 -0.69 0.98 0.00 0.00 173.24 173.69 2qma s VAL 782 N -0.56 1.20 -0.41 5.02 1.01 -0.77 -1.28 120.40 124.61 2qma s VAL 782 Ca 0.17 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2qma s VAL 782 Cb -0.13 -1.15 0.08 0.00 0.00 0.00 0.00 36.38 35.17 2qma s VAL 782 CO 0.06 0.39 0.23 -1.81 0.00 0.00 0.00 175.10 173.96 2qma s ASP 783 N 1.34 5.51 0.44 3.32 1.11 -1.24 -1.05 116.67 126.10 2qma s ASP 783 Ca -0.01 -1.56 0.24 0.00 0.18 0.00 0.00 52.55 51.40 2qma s ASP 783 Cb -0.14 -1.94 0.89 0.00 1.07 0.00 0.00 42.92 42.81 2qma s ASP 783 CO -0.05 -0.51 1.81 -0.26 1.18 0.00 0.00 175.17 177.34 2qma h PHE 784 N 8.31 0.00 -0.17 4.23 0.04 -1.23 -2.90 116.94 125.23 2qma h PHE 784 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 2qma h PHE 784 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2qma h PHE 784 CO 0.60 0.22 0.00 -2.39 -0.60 0.00 0.00 178.31 176.14 2qma n HIS 785 N -3.36 0.29 0.00 -0.55 1.44 -1.00 -1.45 115.22 110.59 2qma n HIS 785 Ca 0.00 -0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 2qma n HIS 785 Cb 0.44 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.50 2qma n HIS 785 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qma n LYS 786 N 0.04 0.00 0.00 -1.40 5.02 -1.09 -4.23 118.16 116.50 2qma n LYS 786 Ca 0.06 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 2qma n LYS 786 Cb 0.22 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 35.85 2qma n LYS 786 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2qma n LEU 787 N 0.00 0.00 -0.18 -0.35 7.94 -1.26 -1.85 117.00 121.29 2qma n LEU 787 Ca 0.00 0.45 0.15 0.00 -1.11 0.00 0.00 56.01 55.50 2qma n LEU 787 Cb 0.00 -0.45 0.73 0.00 0.53 0.00 0.00 43.42 44.24 2qma n LEU 787 CO 0.00 -0.03 0.98 0.49 -1.11 0.00 0.00 177.39 177.72 2qma n PHE 788 N -1.45 0.00 -1.27 1.96 3.72 -1.18 -4.95 117.46 114.30 2qma n PHE 788 Ca 0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.39 2qma n PHE 788 Cb 0.30 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 2qma n PHE 788 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2qma n TYR 789 N -0.61 0.00 -2.37 1.38 4.01 -0.77 -4.88 117.16 113.92 2qma n TYR 789 Ca 0.20 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.61 2qma n TYR 789 Cb 0.23 -2.26 -0.02 0.00 -0.31 0.00 0.00 39.34 36.98 2qma n TYR 789 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qma s GLN 790 N -2.59 3.64 0.47 -0.72 -1.52 -0.53 -0.36 119.66 118.05 2qma s GLN 790 Ca 0.00 1.29 -0.24 0.00 -1.95 0.00 0.00 55.36 54.46 2qma s GLN 790 Cb 0.00 -2.08 -0.07 0.00 -0.22 0.00 0.00 33.01 30.64 2qma s GLN 790 CO 0.00 -0.55 1.26 0.95 -0.25 0.00 0.00 175.29 176.70 2qma s THR 791 N -2.17 2.66 0.30 -0.19 -4.23 -1.26 -4.05 115.64 106.70 2qma s THR 791 Ca 0.66 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 61.40 2qma s THR 791 Cb -0.16 -3.28 -0.11 0.00 1.34 0.00 0.00 72.50 70.29 2qma s THR 791 CO 0.26 0.02 1.57 -0.63 -0.54 0.00 0.00 174.62 175.31 2qma s ILE 792 N -1.39 2.08 0.21 2.99 1.01 -1.26 -3.74 121.20 121.11 2qma s ILE 792 Ca 0.64 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 2qma s ILE 792 Cb -0.35 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 2qma s ILE 792 CO 0.43 0.01 0.50 -0.94 0.00 0.00 0.00 174.94 174.94 2qma s SER 793 N 0.40 6.56 -0.32 3.58 1.04 -1.26 -5.15 113.70 118.54 2qma s SER 793 Ca 0.62 0.79 -0.02 0.00 0.48 0.00 0.00 55.95 57.82 2qma s SER 793 Cb -0.47 -2.17 0.19 0.00 0.10 0.00 0.00 66.02 63.66 2qma s SER 793 CO 0.50 -0.05 0.82 0.00 0.98 0.00 0.00 173.24 175.49 2qma s GLY 795 N 2.51 1.08 0.13 0.00 0.00 -1.13 -0.71 107.32 109.20 2qma s GLY 795 Ca 0.18 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 2qma s GLY 795 CO -0.19 -1.09 0.28 0.00 0.00 0.00 0.00 173.10 172.09 2qma s ALA 796 N -4.10 -0.29 -0.15 3.20 0.00 -0.22 -0.68 121.76 119.52 2qma s ALA 796 Ca 0.32 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2qma s ALA 796 Cb 0.04 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2qma s ALA 796 CO 0.11 -0.60 -0.21 -1.17 0.00 0.00 0.00 175.76 173.88 2qma s LEU 797 N -2.89 2.11 0.01 0.00 2.96 -0.51 -1.85 118.68 118.51 2qma s LEU 797 Ca 0.10 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2qma s LEU 797 Cb 0.03 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2qma s LEU 797 CO -0.06 0.06 0.08 -0.76 -1.32 0.00 0.00 176.35 174.35 2qma s LEU 798 N 0.92 3.87 0.02 -0.68 1.43 0.51 -1.92 118.68 122.83 2qma s LEU 798 Ca -0.04 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 2qma s LEU 798 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2qma s LEU 798 CO -0.04 0.25 -0.16 0.68 0.23 0.00 0.00 176.35 177.31 2qma s VAL 799 N -1.23 1.25 0.13 -1.59 -7.23 0.50 -0.58 120.40 111.65 2qma s VAL 799 Ca 0.24 -0.93 0.19 0.00 -1.81 0.00 0.00 61.98 59.67 2qma s VAL 799 Cb -0.12 -1.09 0.14 0.00 0.56 0.00 0.00 36.38 35.87 2qma s VAL 799 CO 0.15 0.15 1.71 0.78 -0.31 0.00 0.00 175.10 177.59 2qma h ASN 800 N 5.18 0.00 -3.11 4.85 2.35 -1.63 -1.44 115.58 121.79 2qma h ASN 800 Ca -0.38 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.81 2qma h ASN 800 Cb 1.17 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.14 2qma h ASN 800 CO 0.45 0.37 -0.76 -0.62 -1.65 0.00 0.00 177.43 175.22 2qma s ASP 801 N -6.41 3.76 0.48 5.81 -1.08 -1.26 -2.49 116.67 115.48 2qma s ASP 801 Ca 0.01 -1.44 0.25 0.00 -0.52 0.00 0.00 52.55 50.85 2qma s ASP 801 Cb 0.11 -0.73 1.36 0.00 -1.46 0.00 0.00 42.92 42.20 2qma s ASP 801 CO 0.69 -0.40 1.74 0.07 0.52 0.00 0.00 175.17 177.78 2qma h LYS 802 N 8.17 0.00 0.00 4.34 2.10 -1.00 -0.52 116.57 129.66 2qma h LYS 802 Ca -0.15 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2qma h LYS 802 Cb 1.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2qma h LYS 802 CO 0.44 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 178.53 2qma h SER 803 N 0.00 0.00 0.41 7.07 4.64 -1.95 -0.93 113.55 122.79 2qma h SER 803 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2qma h SER 803 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2qma h SER 803 CO 0.00 0.02 -0.08 0.78 -0.87 0.00 0.00 176.83 176.68 2qma h ASN 804 N 0.00 0.00 0.35 4.97 -0.26 -1.50 -1.85 115.58 117.29 2qma h ASN 804 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2qma h ASN 804 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2qma h ASN 804 CO 0.00 0.08 0.00 -0.26 -1.06 0.00 0.00 177.43 176.19 2qma h PHE 805 N 0.00 0.00 -0.36 1.19 0.04 -1.36 -3.07 116.94 113.37 2qma h PHE 805 Ca -0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.87 2qma h PHE 805 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2qma h PHE 805 CO 0.00 0.00 0.26 1.57 -0.60 0.00 0.00 178.31 179.54 2qma h LYS 806 N 0.00 0.00 0.00 1.51 2.10 -1.49 -0.66 116.57 118.04 2qma h LYS 806 Ca 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2qma h LYS 806 Cb 0.18 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2qma h LYS 806 CO 0.00 0.00 -0.08 0.74 -2.00 0.00 0.00 179.45 178.11 2qma h PHE 807 N 0.00 0.00 -0.00 0.07 0.04 -1.76 -2.95 116.94 112.34 2qma h PHE 807 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2qma h PHE 807 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 2qma h PHE 807 CO -0.00 0.08 -0.19 1.28 -0.60 0.00 0.00 178.31 178.88 2qma n LEU 808 N -3.61 0.58 -4.31 1.54 4.77 -0.25 -4.81 117.00 110.89 2qma n LEU 808 Ca -0.02 -0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 2qma n LEU 808 Cb 0.20 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2qma n LEU 808 CO 0.29 0.11 -0.28 -0.22 -1.33 0.00 0.00 177.39 175.96 2qma s LEU 809 N -2.60 3.89 -0.06 2.23 2.96 -1.11 -5.18 118.68 118.81 2qma s LEU 809 Ca 0.24 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 2qma s LEU 809 Cb 0.19 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2qma s LEU 809 CO 0.52 -0.22 -0.15 1.57 -1.32 0.00 0.00 176.35 176.75 2qma n HIS 810 N 4.84 0.00 -0.50 5.38 -0.00 -1.26 -5.04 115.22 118.63 2qma n HIS 810 Ca -0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.46 2qma n HIS 810 Cb 0.47 -0.30 0.01 0.00 -0.00 0.00 0.00 29.99 30.17 2qma n HIS 810 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qma n ALA 831 N -3.76 -0.48 -2.09 1.57 0.00 -1.26 -5.25 120.51 109.24 2qma n ALA 831 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2qma n ALA 831 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2qma n ALA 831 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qma n THR 832 N -1.85 0.00 -0.77 0.00 -1.04 -1.26 -4.94 114.28 104.42 2qma n THR 832 Ca -0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 2qma n THR 832 Cb 0.23 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.67 2qma n THR 832 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qma n THR 833 N 0.00 0.00 -4.14 12.58 -2.24 -1.26 -4.33 114.28 114.89 2qma n THR 833 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2qma n THR 833 Cb 0.00 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 2qma n THR 833 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2qma s LYS 834 N 4.49 0.71 0.46 -0.78 -2.85 -1.26 -5.00 119.74 115.51 2qma s LYS 834 Ca 0.71 -0.86 -0.04 0.00 -1.00 0.00 0.00 55.97 54.77 2qma s LYS 834 Cb -0.69 -0.63 -0.04 0.00 -2.06 0.00 0.00 37.83 34.41 2qma s LYS 834 CO 0.27 0.14 0.75 -0.98 0.10 0.00 0.00 175.35 175.63 2qma s ARG 835 N -1.62 3.54 -0.69 1.78 1.70 -1.26 -4.34 118.95 118.06 2qma s ARG 835 Ca -0.05 0.13 -0.07 0.00 -0.47 0.00 0.00 55.73 55.27 2qma s ARG 835 Cb -0.10 -2.42 -0.17 0.00 -0.57 0.00 0.00 34.95 31.69 2qma s ARG 835 CO 0.01 -0.15 3.29 0.34 -1.08 0.00 0.00 175.30 177.72 2qma n PHE 836 N -2.16 1.09 0.28 5.89 7.35 -1.26 -4.65 117.46 124.00 2qma n PHE 836 Ca -0.00 -2.17 0.14 0.00 -0.76 0.00 0.00 57.45 54.66 2qma n PHE 836 Cb 0.55 -1.94 0.83 0.00 0.35 0.00 0.00 39.48 39.28 2qma n PHE 836 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2qma h ASP 837 N 3.81 0.00 0.47 -2.13 3.32 -1.93 -2.79 116.42 117.18 2qma h ASP 837 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2qma h ASP 837 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2qma h ASP 837 CO 0.90 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 2qma h ALA 838 N 1.94 1.00 -0.53 3.45 0.00 -1.93 -1.79 119.26 121.40 2qma h ALA 838 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2qma h ALA 838 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qma h ALA 838 CO 0.01 0.00 0.10 1.25 0.00 0.00 0.00 179.25 180.61 2qma h LEU 839 N 0.00 0.77 -0.08 0.00 5.85 -1.87 -1.04 115.31 118.94 2qma h LEU 839 Ca 0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2qma h LEU 839 Cb 0.24 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2qma h LEU 839 CO 0.00 0.77 -0.20 0.11 -0.34 0.00 0.00 178.44 178.78 2qma h LYS 840 N 0.79 -0.27 -0.47 1.25 1.57 -1.54 -2.41 116.57 115.48 2qma h LYS 840 Ca 0.17 0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 2qma h LYS 840 Cb 0.33 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2qma h LYS 840 CO 0.00 -0.18 -0.23 0.28 -0.57 0.00 0.00 179.45 178.75 2qma h VAL 841 N -0.28 1.27 0.00 0.50 2.07 -1.59 0.30 116.25 118.52 2qma h VAL 841 Ca 0.08 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2qma h VAL 841 Cb 0.40 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2qma h VAL 841 CO -0.24 0.48 0.00 0.33 0.02 0.00 0.00 177.57 178.16 2qma n PHE 842 N -4.10 0.00 -0.89 1.57 7.35 -0.43 -4.58 117.46 116.38 2qma n PHE 842 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2qma n PHE 842 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 2qma n PHE 842 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2qma n THR 844 N -0.05 0.00 0.00 -2.13 -1.04 0.09 -4.80 114.28 106.35 2qma n THR 844 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qma n THR 844 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2qma n THR 844 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qma n GLN 846 N -0.80 0.00 0.00 -2.82 6.02 -1.26 -1.09 117.38 117.43 2qma n GLN 846 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qma n GLN 846 Cb 0.09 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.35 2qma n GLN 846 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qma n ASN 847 N 0.00 0.00 0.03 1.08 4.05 -1.26 -4.73 115.26 114.42 2qma n ASN 847 Ca 0.00 0.03 -0.13 0.00 0.45 0.00 0.00 54.58 54.93 2qma n ASN 847 Cb 0.00 -0.27 -0.09 0.00 1.23 0.00 0.00 39.78 40.65 2qma n ASN 847 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2qma h VAL 848 N 0.00 1.19 -0.41 3.44 2.07 -1.55 -3.51 116.25 117.48 2qma h VAL 848 Ca 0.00 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2qma h VAL 848 Cb 0.00 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2qma h VAL 848 CO 0.00 0.20 -0.15 0.61 0.02 0.00 0.00 177.57 178.26 2qma n GLY 849 N -0.13 -2.73 0.27 2.17 0.00 -0.72 -4.30 105.19 99.75 2qma n GLY 849 Ca -0.08 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 2qma n GLY 849 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qma h PRO 850 N -0.15 0.81 -0.43 1.61 0.13 -1.97 -2.74 132.00 129.25 2qma h PRO 850 Ca -0.02 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2qma h PRO 850 Cb 0.16 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 2qma h PRO 850 CO 0.01 0.94 0.21 -0.22 -0.23 0.00 0.00 178.00 178.71 2qma h LYS 851 N 0.71 0.62 -0.51 0.86 1.63 -1.86 0.27 116.57 118.30 2qma h LYS 851 Ca 0.10 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2qma h LYS 851 Cb 0.71 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2qma h LYS 851 CO 0.05 0.53 0.28 0.00 -3.45 0.00 0.00 179.45 176.87 2qma h ALA 852 N 1.06 0.65 -0.61 5.00 0.00 -1.71 0.26 119.26 123.90 2qma h ALA 852 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qma h ALA 852 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qma h ALA 852 CO -0.02 0.16 0.40 -0.07 0.00 0.00 0.00 179.25 179.72 2qma h LEU 853 N 0.67 0.71 -0.47 0.00 3.38 -1.21 -2.64 115.31 115.76 2qma h LEU 853 Ca 0.18 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2qma h LEU 853 Cb 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2qma h LEU 853 CO -0.03 0.53 0.13 1.23 0.09 0.00 0.00 178.44 180.38 2qma h GLY 854 N 0.83 0.59 -2.13 0.83 0.00 0.36 -1.83 103.07 101.73 2qma h GLY 854 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2qma h GLY 854 CO -0.05 -0.03 0.00 1.22 0.00 0.00 0.00 176.54 177.69 2qma n ASP 855 N -5.06 0.04 0.00 0.19 8.00 0.85 -1.51 116.55 119.06 2qma n ASP 855 Ca 0.05 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2qma n ASP 855 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2qma n ASP 855 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qma n TYR 857 N 1.06 0.00 -0.15 1.24 4.01 -0.69 -1.73 117.16 120.90 2qma n TYR 857 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2qma n TYR 857 Cb 0.01 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2qma n TYR 857 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qma h ASP 858 N 0.00 -0.21 -0.36 7.72 3.32 -1.54 -1.16 116.42 124.19 2qma h ASP 858 Ca 0.00 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.22 2qma h ASP 858 Cb 0.00 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 2qma h ASP 858 CO 0.00 -0.07 0.06 -0.74 -1.72 0.00 0.00 179.24 176.78 2qma h HIS 859 N 0.11 0.10 -0.64 4.55 -0.00 -1.61 -1.82 115.15 115.84 2qma h HIS 859 Ca 0.23 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.59 2qma h HIS 859 Cb 0.35 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 2qma h HIS 859 CO -0.30 0.01 0.25 -0.07 -0.00 0.00 0.00 177.93 177.81 2qma h LEU 860 N 0.18 0.89 -0.53 0.26 3.38 -1.70 0.22 115.31 118.02 2qma h LEU 860 Ca 0.17 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2qma h LEU 860 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qma h LEU 860 CO -0.24 0.82 -0.03 -0.07 0.09 0.00 0.00 178.44 179.02 2qma h LEU 861 N 0.91 0.95 -0.39 1.67 4.07 -1.05 -0.86 115.31 120.61 2qma h LEU 861 Ca 0.21 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 2qma h LEU 861 Cb 0.22 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2qma h LEU 861 CO -0.02 1.04 0.07 0.00 -1.08 0.00 0.00 178.44 178.46 2qma h ALA 862 N 0.94 0.52 -0.54 1.53 0.00 -0.94 -2.89 119.26 117.88 2qma h ALA 862 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2qma h ALA 862 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qma h ALA 862 CO 0.03 0.22 -0.03 0.37 0.00 0.00 0.00 179.25 179.84 2qma h GLN 863 N 0.49 0.94 -0.93 0.00 4.15 -0.36 -2.16 115.11 117.24 2qma h GLN 863 Ca 0.12 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 59.31 2qma h GLN 863 Cb 0.35 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 2qma h GLN 863 CO 0.01 0.95 0.59 1.15 -1.93 0.00 0.00 178.83 179.59 2qma h THR 864 N 0.86 1.07 -0.49 2.39 2.02 -1.12 0.90 112.91 118.54 2qma h THR 864 Ca 0.15 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2qma h THR 864 Cb 0.55 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2qma h THR 864 CO 0.03 0.20 -0.07 -0.07 0.37 0.00 0.00 175.52 175.97 2qma h LEU 865 N 1.08 0.86 -0.58 2.58 3.38 -1.25 -1.22 115.31 120.16 2qma h LEU 865 Ca 0.40 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2qma h LEU 865 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qma h LEU 865 CO -0.17 0.97 0.11 -0.33 0.09 0.00 0.00 178.44 179.11 2qma h GLU 866 N 0.80 0.95 -0.34 1.13 5.08 -0.69 -1.13 114.58 120.39 2qma h GLU 866 Ca 0.14 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2qma h GLU 866 Cb 0.58 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2qma h GLU 866 CO 0.04 0.89 0.03 0.28 -1.00 0.00 0.00 179.01 179.25 2qma h VAL 867 N 0.85 1.25 -0.60 3.13 2.07 -0.71 -2.88 116.25 119.37 2qma h VAL 867 Ca 0.18 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.90 2qma h VAL 867 Cb 0.39 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 2qma h VAL 867 CO 0.01 0.29 0.22 0.00 0.02 0.00 0.00 177.57 178.11 2qma h ALA 868 N 0.88 0.76 0.00 1.67 0.00 -1.12 -0.94 119.26 120.50 2qma h ALA 868 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qma h ALA 868 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qma h ALA 868 CO 0.01 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 2qma n ASP 869 N -5.00 0.10 0.00 0.00 8.00 -0.44 -1.08 116.55 118.13 2qma n ASP 869 Ca 0.08 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2qma n ASP 869 Cb 0.27 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2qma n ASP 869 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qma n ILE 871 N 0.85 0.00 -0.28 0.53 5.41 -0.36 -2.35 119.36 123.16 2qma n ILE 871 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2qma n ILE 871 Cb 0.02 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.21 2qma n ILE 871 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2qma h ARG 872 N 0.00 0.93 -0.56 0.38 2.43 -1.36 -2.49 114.38 113.71 2qma h ARG 872 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qma h ARG 872 Cb 0.00 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2qma h ARG 872 CO 0.00 0.62 0.00 0.25 -1.51 0.00 0.00 179.97 179.33 2qma n THR 873 N -4.50 0.74 -3.67 0.20 -2.24 -0.99 -4.80 114.28 99.01 2qma n THR 873 Ca 0.14 -0.86 -0.39 0.00 -2.27 0.00 0.00 64.05 60.67 2qma n THR 873 Cb 0.23 0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 2qma n THR 873 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qma s ASN 874 N -1.25 5.49 0.41 3.42 3.84 -0.94 -4.97 114.94 120.94 2qma s ASN 874 Ca 0.44 -0.87 0.28 0.00 0.21 0.00 0.00 52.86 52.92 2qma s ASN 874 Cb 0.24 -1.96 1.44 0.00 -0.55 0.00 0.00 41.25 40.42 2qma s ASN 874 CO 0.33 -0.30 1.86 0.44 -2.79 0.00 0.00 177.10 176.64 2qma h ASP 875 N 8.34 0.00 0.83 -4.21 5.19 -1.87 -2.40 116.42 122.29 2qma h ASP 875 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2qma h ASP 875 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2qma h ASP 875 CO 0.63 0.00 -0.03 0.00 -3.12 0.00 0.00 179.24 176.72 2qma n GLN 876 N -2.52 0.15 -4.25 3.56 1.13 -1.26 -4.84 117.38 109.35 2qma n GLN 876 Ca -0.01 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.90 2qma n GLN 876 Cb 0.10 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 28.85 2qma n GLN 876 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2qma s PHE 877 N -2.86 1.23 -0.10 1.08 0.08 -0.91 -1.64 117.98 114.87 2qma s PHE 877 Ca 0.18 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 56.20 2qma s PHE 877 Cb 0.19 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.96 2qma s PHE 877 CO 0.52 -0.23 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.34 2qma s GLU 878 N -3.93 1.42 0.06 0.44 2.12 -0.09 -4.77 118.70 113.96 2qma s GLU 878 Ca 0.25 -0.24 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 2qma s GLU 878 Cb 0.06 -1.45 -0.06 0.00 0.26 0.00 0.00 34.13 32.94 2qma s GLU 878 CO 0.05 -0.21 1.29 -1.17 -0.54 0.00 0.00 175.26 174.68 2qma s LEU 879 N 1.51 4.35 -0.00 2.70 2.96 -1.26 -1.61 118.68 127.33 2qma s LEU 879 Ca 0.01 2.11 0.19 0.00 -0.22 0.00 0.00 54.13 56.22 2qma s LEU 879 Cb -0.13 -3.58 -0.21 0.00 0.50 0.00 0.00 46.19 42.77 2qma s LEU 879 CO -0.05 -0.57 0.75 0.18 -1.32 0.00 0.00 176.35 175.33 2qma n LEU 880 N 4.25 0.78 -3.55 -0.68 4.77 0.98 -4.95 117.00 118.61 2qma n LEU 880 Ca 0.11 -0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 2qma n LEU 880 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2qma n LEU 880 CO 0.57 0.19 0.36 0.00 -1.33 0.00 0.00 177.39 177.18 2qma s ALA 881 N -2.83 -1.55 0.01 -1.18 0.00 -1.18 -4.98 121.76 110.04 2qma s ALA 881 Ca 0.05 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 2qma s ALA 881 Cb 0.14 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 2qma s ALA 881 CO 0.77 -0.43 0.80 -1.21 0.00 0.00 0.00 175.76 175.69 2qma s GLU 882 N -1.75 4.50 0.66 0.00 0.41 -1.26 -4.62 118.70 116.64 2qma s GLU 882 Ca -0.09 1.10 -0.16 0.00 -0.41 0.00 0.00 54.97 55.42 2qma s GLU 882 Cb -0.01 -3.40 -0.00 0.00 -1.78 0.00 0.00 34.13 28.94 2qma s GLU 882 CO 0.04 0.16 1.13 -2.14 -0.49 0.00 0.00 175.26 173.96 2qma s PRO 883 N 0.37 2.76 0.00 0.39 0.02 -1.26 -4.96 135.00 132.32 2qma s PRO 883 Ca 0.41 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2qma s PRO 883 Cb -0.20 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2qma s PRO 883 CO 0.23 -1.30 0.00 0.43 -0.33 0.00 0.00 177.00 176.03 2qma n SER 884 N -2.32 4.41 0.00 2.53 7.64 -1.23 -5.03 113.62 119.62 2qma n SER 884 Ca 0.11 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2qma n SER 884 Cb 0.51 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 2qma n SER 884 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qma n LEU 885 N -1.38 0.00 -0.11 -3.43 0.00 -1.25 -4.82 117.00 106.00 2qma n LEU 885 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.08 2qma n LEU 885 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.52 2qma n LEU 885 CO 0.00 0.00 0.52 -1.54 0.00 0.00 0.00 177.39 176.37 2qma n SER 886 N 0.00 1.99 -4.92 1.96 3.41 -1.26 -4.50 113.62 110.29 2qma n SER 886 Ca 0.00 -2.79 -0.29 0.00 -0.26 0.00 0.00 58.87 55.52 2qma n SER 886 Cb 0.00 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 2qma n SER 886 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qma s THR 887 N -2.26 5.32 -0.05 6.66 -4.23 -1.26 -0.31 115.64 119.51 2qma s THR 887 Ca 0.24 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 2qma s THR 887 Cb 0.21 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.42 2qma s THR 887 CO 0.02 0.06 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.38 2qma s VAL 888 N -1.59 0.83 -0.18 2.29 1.01 -0.07 -4.59 120.40 118.11 2qma s VAL 888 Ca 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2qma s VAL 888 Cb -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2qma s VAL 888 CO 0.28 0.28 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 2qma s LEU 889 N 0.61 2.34 0.32 3.92 1.43 -1.26 -1.91 118.68 124.13 2qma s LEU 889 Ca -0.10 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 2qma s LEU 889 Cb -0.13 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.60 2qma s LEU 889 CO 0.02 0.03 0.84 0.72 0.23 0.00 0.00 176.35 178.18 2qma s PHE 890 N 1.15 0.06 0.03 0.29 -0.12 -0.81 -0.01 117.98 118.56 2qma s PHE 890 Ca 0.01 -0.63 -0.17 0.00 -0.05 0.00 0.00 56.93 56.09 2qma s PHE 890 Cb -0.14 0.79 0.03 0.00 -0.63 0.00 0.00 43.02 43.07 2qma s PHE 890 CO -0.07 -1.37 0.37 -0.98 -0.05 0.00 0.00 175.22 173.13 2qma s ARG 891 N -2.55 0.85 0.34 1.99 1.70 -0.63 0.10 118.95 120.76 2qma s ARG 891 Ca 0.16 -0.37 -0.28 0.00 -0.47 0.00 0.00 55.73 54.76 2qma s ARG 891 Cb -0.05 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 2qma s ARG 891 CO 0.09 -0.28 1.29 0.00 -1.08 0.00 0.00 175.30 175.32 2qma s ALA 892 N -2.32 3.46 0.27 7.88 0.00 -1.26 -0.91 121.76 128.88 2qma s ALA 892 Ca -0.06 1.23 0.11 0.00 0.00 0.00 0.00 51.96 53.24 2qma s ALA 892 Cb -0.01 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2qma s ALA 892 CO -0.02 -0.63 -0.15 -0.08 0.00 0.00 0.00 175.76 174.88 2qma s THR 893 N -1.16 2.74 -0.19 0.00 -1.32 -0.65 -4.81 115.64 110.25 2qma s THR 893 Ca 0.50 -2.25 -0.28 0.00 -1.21 0.00 0.00 61.69 58.45 2qma s THR 893 Cb -0.39 -2.44 0.10 0.00 -1.51 0.00 0.00 72.50 68.26 2qma s THR 893 CO 0.52 -0.37 0.85 -2.28 -2.21 0.00 0.00 174.62 171.12 2qma s HIS 894 N -2.40 -0.58 0.34 9.09 5.04 -1.26 -4.78 115.29 120.73 2qma s HIS 894 Ca 0.30 1.22 0.28 0.00 -1.54 0.00 0.00 55.06 55.32 2qma s HIS 894 Cb -0.06 0.37 1.37 0.00 0.04 0.00 0.00 32.58 34.31 2qma s HIS 894 CO 0.16 -0.40 2.02 1.05 -2.34 0.00 0.00 174.74 175.23 2qma h GLU 895 N 3.68 0.00 0.00 2.88 4.11 -2.01 -3.39 114.58 119.85 2qma h GLU 895 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2qma h GLU 895 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2qma h GLU 895 CO 0.22 0.13 -0.41 0.25 0.07 0.00 0.00 179.01 179.27 2qma n THR 896 N -3.51 0.00 -1.40 -1.06 -2.24 -1.26 -5.11 114.28 99.70 2qma n THR 896 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 2qma n THR 896 Cb 0.28 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2qma n THR 896 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qma n ALA 897 N -1.89 -1.87 -2.16 6.98 0.00 -1.26 -4.89 120.51 115.43 2qma n ALA 897 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2qma n ALA 897 Cb 0.20 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 2qma n ALA 897 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qma s ASP 898 N -1.05 6.55 0.09 0.00 -1.08 -1.26 -4.87 116.67 115.05 2qma s ASP 898 Ca 0.63 1.73 -0.12 0.00 -0.52 0.00 0.00 52.55 54.28 2qma s ASP 898 Cb -0.52 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.20 2qma s ASP 898 CO 0.59 -1.10 1.23 -0.07 0.52 0.00 0.00 175.17 176.34 2qma h LEU 899 N 11.03 0.87 -0.85 -1.34 3.38 -1.92 -0.83 115.31 125.64 2qma h LEU 899 Ca -0.33 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.03 2qma h LEU 899 Cb 1.15 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2qma h LEU 899 CO 0.99 1.47 0.52 0.44 0.09 0.00 0.00 178.44 181.96 2qma h ASP 900 N 0.39 0.82 -0.18 -0.43 3.32 -1.90 0.95 116.42 119.40 2qma h ASP 900 Ca -0.11 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2qma h ASP 900 Cb 1.64 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 2qma h ASP 900 CO 0.19 0.53 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.94 2qma h GLU 901 N 0.96 0.46 -0.05 3.56 4.81 -1.96 -2.38 114.58 119.99 2qma h GLU 901 Ca 0.37 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2qma h GLU 901 Cb 0.17 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2qma h GLU 901 CO -0.17 0.84 0.02 1.25 -0.73 0.00 0.00 179.01 180.22 2qma h LEU 902 N 0.12 0.06 -0.75 1.64 5.85 -0.76 -1.93 115.31 119.54 2qma h LEU 902 Ca 0.02 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 2qma h LEU 902 Cb 0.78 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2qma h LEU 902 CO 0.05 0.22 -0.42 0.78 -0.34 0.00 0.00 178.44 178.74 2qma h ASN 903 N -0.10 0.48 -0.34 1.25 2.35 -0.89 -0.38 115.58 117.96 2qma h ASN 903 Ca 0.02 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2qma h ASN 903 Cb 0.18 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2qma h ASN 903 CO -0.00 0.84 0.20 0.11 -1.65 0.00 0.00 177.43 176.94 2qma h LYS 904 N 0.38 0.41 -0.34 0.81 1.57 -1.39 -2.13 116.57 115.88 2qma h LYS 904 Ca 0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2qma h LYS 904 Cb 0.89 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2qma h LYS 904 CO 0.08 0.27 -0.22 0.00 -0.57 0.00 0.00 179.45 179.00 2qma h ALA 905 N 1.14 0.49 -0.24 3.86 0.00 -1.03 -2.73 119.26 120.75 2qma h ALA 905 Ca 0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2qma h ALA 905 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2qma h ALA 905 CO -0.05 0.45 -0.27 1.37 0.00 0.00 0.00 179.25 180.75 2qma h LEU 906 N 0.53 0.46 -0.07 0.00 8.10 -1.06 -0.70 115.31 122.57 2qma h LEU 906 Ca 0.07 -0.16 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 2qma h LEU 906 Cb 0.78 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2qma h LEU 906 CO 0.06 0.73 0.04 -0.09 -4.11 0.00 0.00 178.44 175.07 2qma h ARG 907 N 0.40 0.09 -0.46 0.17 2.43 -1.26 0.27 114.38 116.02 2qma h ARG 907 Ca 0.06 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2qma h ARG 907 Cb 0.69 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2qma h ARG 907 CO 0.05 0.12 -0.00 1.25 -1.51 0.00 0.00 179.97 179.88 2qma h LEU 908 N 0.04 0.81 -0.70 3.80 5.85 -1.30 -2.41 115.31 121.40 2qma h LEU 908 Ca 0.02 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2qma h LEU 908 Cb 0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2qma h LEU 908 CO -0.00 0.92 0.38 -0.33 -0.34 0.00 0.00 178.44 179.07 2qma h GLU 909 N 0.67 0.97 -0.86 1.25 4.39 -1.08 -0.29 114.58 119.64 2qma h GLU 909 Ca 0.13 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2qma h GLU 909 Cb 0.51 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2qma h GLU 909 CO 0.02 0.73 0.53 0.00 -1.16 0.00 0.00 179.01 179.13 2qma h ALA 910 N 1.19 1.09 0.36 3.43 0.00 -0.88 -1.30 119.26 123.15 2qma h ALA 910 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qma h ALA 910 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qma h ALA 910 CO -0.04 0.54 -0.17 1.25 0.00 0.00 0.00 179.25 180.83 2qma h LEU 911 N 1.18 -0.41 -1.18 0.00 5.85 -1.03 0.29 115.31 120.01 2qma h LEU 911 Ca 0.31 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2qma h LEU 911 Cb -0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qma h LEU 911 CO -0.06 -0.15 -0.27 0.71 -0.34 0.00 0.00 178.44 178.33 2qma h THR 912 N -0.65 0.71 0.00 1.05 1.35 -0.97 -0.87 112.91 113.53 2qma h THR 912 Ca -0.05 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2qma h THR 912 Cb 0.47 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2qma h THR 912 CO 0.08 0.27 -0.19 0.54 -0.25 0.00 0.00 175.52 175.97 2qma n ARG 913 N -3.51 0.24 -1.73 4.72 1.74 -0.50 -4.42 116.66 113.20 2qma n ARG 913 Ca -0.00 0.16 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 2qma n ARG 913 Cb 0.43 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 2qma n ARG 913 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qma n GLY 914 N 1.34 0.42 0.13 -0.13 0.00 -0.33 -4.15 105.19 102.47 2qma n GLY 914 Ca 0.05 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 2qma n GLY 914 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qma h ILE 915 N 0.00 1.44 -2.07 -0.61 2.04 -1.21 -3.31 117.51 113.79 2qma h ILE 915 Ca -0.14 -2.44 -0.06 0.00 1.00 0.00 0.00 64.86 63.22 2qma h ILE 915 Cb 0.81 2.98 -0.20 0.00 -0.74 0.00 0.00 36.82 39.68 2qma h ILE 915 CO 0.18 0.71 0.13 0.00 0.00 0.00 0.00 178.15 179.17 2qma s ALA 916 N -2.70 -1.71 -0.44 1.87 0.00 -1.00 -4.68 121.76 113.10 2qma s ALA 916 Ca -0.12 1.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2qma s ALA 916 Cb 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.75 2qma s ALA 916 CO 0.86 -0.35 0.32 0.08 0.00 0.00 0.00 175.76 176.67 2qma s VAL 917 N -0.55 4.69 0.10 0.00 1.01 -0.19 -2.35 120.40 123.12 2qma s VAL 917 Ca -0.07 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 60.78 2qma s VAL 917 Cb -0.02 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2qma s VAL 917 CO 0.06 -0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 173.66 2qma s LEU 918 N 1.53 2.53 0.54 3.92 1.43 -1.26 -1.55 118.68 125.81 2qma s LEU 918 Ca 0.03 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 2qma s LEU 918 Cb -0.23 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2qma s LEU 918 CO 0.04 0.20 0.89 -0.83 0.23 0.00 0.00 176.35 176.88 2qma s GLY 919 N -1.94 1.59 -0.04 -3.19 0.00 0.74 -4.80 107.32 99.69 2qma s GLY 919 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 2qma s GLY 919 CO 0.07 -0.09 0.10 -1.83 0.00 0.00 0.00 173.10 171.35 2qma s GLU 920 N -4.89 0.06 0.00 2.90 -1.05 -1.26 -0.54 118.70 113.93 2qma s GLU 920 Ca 0.51 0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 2qma s GLU 920 Cb -0.11 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 2qma s GLU 920 CO 0.48 -0.11 0.00 -2.37 0.95 0.00 0.00 175.26 174.21 2qma n THR 921 N 3.78 0.00 -5.05 1.83 5.66 0.53 -4.96 114.28 116.07 2qma n THR 921 Ca -0.22 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.47 2qma n THR 921 Cb 0.54 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.15 2qma n THR 921 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2qma s ILE 922 N -2.12 2.02 -0.18 1.09 1.01 -1.26 -0.60 121.20 121.16 2qma s ILE 922 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2qma s ILE 922 Cb 0.00 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.76 2qma s ILE 922 CO 0.00 0.55 -0.00 -0.69 0.00 0.00 0.00 174.94 174.79 2qma s VAL 923 N 0.48 0.82 -1.34 2.92 1.01 0.19 -4.72 120.40 119.76 2qma s VAL 923 Ca -0.16 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2qma s VAL 923 Cb -0.17 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2qma s VAL 923 CO 0.06 -0.07 1.09 0.47 0.00 0.00 0.00 175.10 176.65 2qma n ASP 924 N 4.95 -4.85 -0.63 3.32 8.00 -1.26 -2.14 116.55 123.94 2qma n ASP 924 Ca -0.10 -0.60 -0.08 0.00 0.71 0.00 0.00 54.79 54.71 2qma n ASP 924 Cb 0.47 -4.87 -0.04 0.00 -0.02 0.00 0.00 41.12 36.66 2qma n ASP 924 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qma n GLY 925 N -1.74 0.94 3.39 0.44 0.00 -1.26 -4.99 105.19 101.96 2qma n GLY 925 Ca -0.08 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2qma n GLY 925 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qma s LYS 926 N -2.42 2.28 0.05 1.61 1.02 -0.91 -5.09 119.74 116.28 2qma s LYS 926 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 2qma s LYS 926 Cb 0.00 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 35.05 2qma s LYS 926 CO 0.00 0.59 1.57 0.99 -0.92 0.00 0.00 175.35 177.58 2qma s THR 927 N -0.67 3.26 -0.01 2.17 2.01 -1.26 -0.63 115.64 120.51 2qma s THR 927 Ca 0.11 0.69 0.06 0.00 0.31 0.00 0.00 61.69 62.86 2qma s THR 927 Cb -0.10 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2qma s THR 927 CO -0.00 -0.00 -0.20 0.00 -0.69 0.00 0.00 174.62 173.73 2qma s ALA 928 N 2.54 2.46 0.48 7.40 0.00 0.23 -4.84 121.76 130.04 2qma s ALA 928 Ca 0.70 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 2qma s ALA 928 Cb -0.37 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 2qma s ALA 928 CO 0.30 0.55 0.92 -0.51 0.00 0.00 0.00 175.76 177.03 2qma s LEU 929 N -0.94 3.69 -0.02 0.00 1.43 0.12 -0.35 118.68 122.60 2qma s LEU 929 Ca 0.12 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2qma s LEU 929 Cb -0.10 -4.37 0.01 0.00 0.03 0.00 0.00 46.19 41.76 2qma s LEU 929 CO 0.02 -0.52 -0.04 -0.75 0.23 0.00 0.00 176.35 175.28 2qma s LYS 930 N -3.97 0.55 -0.19 1.70 2.20 0.30 -1.92 119.74 118.41 2qma s LYS 930 Ca 0.57 -0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 56.00 2qma s LYS 930 Cb -0.10 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 2qma s LYS 930 CO 0.31 -0.02 0.08 -0.06 -0.36 0.00 0.00 175.35 175.30 2qma s PHE 931 N 0.53 3.30 -0.52 4.03 0.08 -0.80 -0.18 117.98 124.41 2qma s PHE 931 Ca -0.06 0.16 -0.07 0.00 0.12 0.00 0.00 56.93 57.07 2qma s PHE 931 Cb -0.10 -2.10 0.14 0.00 -0.57 0.00 0.00 43.02 40.39 2qma s PHE 931 CO -0.00 0.20 0.38 0.99 -0.10 0.00 0.00 175.22 176.69 2qma s THR 932 N 0.35 4.07 -0.36 0.64 2.01 0.34 -0.89 115.64 121.80 2qma s THR 932 Ca 0.05 -2.14 -0.29 0.00 0.31 0.00 0.00 61.69 59.62 2qma s THR 932 Cb -0.12 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2qma s THR 932 CO -0.01 -0.81 1.17 -0.63 -0.69 0.00 0.00 174.62 173.66 2qma s ILE 933 N 0.92 4.30 0.00 1.82 1.01 0.58 -4.48 121.20 125.34 2qma s ILE 933 Ca 0.10 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.18 2qma s ILE 933 Cb -0.23 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2qma s ILE 933 CO -0.03 -0.65 0.00 0.18 0.00 0.00 0.00 174.94 174.45 2qma n LEU 934 N 7.45 1.95 -4.66 2.97 4.77 -1.26 -4.80 117.00 123.42 2qma n LEU 934 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2qma n LEU 934 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2qma n LEU 934 CO 0.64 0.31 1.52 0.21 -1.33 0.00 0.00 177.39 178.75 2qma s ASN 935 N -4.23 6.51 0.00 -1.43 3.84 -1.26 -4.85 114.94 113.52 2qma s ASN 935 Ca 0.00 2.55 0.14 0.00 0.21 0.00 0.00 52.86 55.76 2qma s ASN 935 Cb 0.00 -2.53 0.74 0.00 -0.55 0.00 0.00 41.25 38.90 2qma s ASN 935 CO 0.00 -1.01 1.49 -0.81 -2.79 0.00 0.00 177.10 173.98 2qma n PRO 936 N 7.25 1.17 -0.15 0.43 -0.04 -1.26 -3.89 135.00 138.51 2qma n PRO 936 Ca 0.19 -0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2qma n PRO 936 Cb 0.41 -1.24 0.14 0.00 -0.04 0.00 0.00 33.50 32.78 2qma n PRO 936 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qma s LEU 938 N -1.00 3.93 0.38 0.00 1.43 -1.25 -5.09 118.68 117.07 2qma s LEU 938 Ca 0.23 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 55.15 2qma s LEU 938 Cb 0.12 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 2qma s LEU 938 CO 0.17 -0.44 -0.05 0.42 0.23 0.00 0.00 176.35 176.68 2qma s THR 939 N -2.13 2.13 0.23 5.49 -4.23 -1.26 -5.01 115.64 110.85 2qma s THR 939 Ca 0.63 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 2qma s THR 939 Cb -0.11 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.12 2qma s THR 939 CO 0.15 -0.10 1.69 0.74 -0.54 0.00 0.00 174.62 176.55 2qma h THR 940 N 1.90 0.55 0.00 3.99 2.02 -2.00 -1.11 112.91 118.26 2qma h THR 940 Ca -0.43 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2qma h THR 940 Cb 1.25 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2qma h THR 940 CO 0.75 0.04 -0.20 0.77 0.37 0.00 0.00 175.52 177.25 2qma h SER 941 N 0.23 0.00 -0.63 4.18 4.64 -1.99 -0.29 113.55 119.69 2qma h SER 941 Ca 0.36 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 2qma h SER 941 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2qma h SER 941 CO -0.48 0.20 0.41 0.44 -0.87 0.00 0.00 176.83 176.54 2qma h ASP 942 N 0.00 0.70 -0.17 4.97 3.32 -1.60 -1.74 116.42 121.91 2qma h ASP 942 Ca -0.00 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 2qma h ASP 942 Cb 0.37 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.76 2qma h ASP 942 CO 0.03 0.50 -0.68 -0.26 -1.72 0.00 0.00 179.24 177.11 2qma h PHE 943 N 0.83 1.00 -0.23 4.55 0.04 -1.03 -0.70 116.94 121.40 2qma h PHE 943 Ca 0.24 -0.43 0.02 0.00 2.80 0.00 0.00 57.97 60.61 2qma h PHE 943 Cb -0.06 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 2qma h PHE 943 CO -0.04 1.25 0.08 0.93 -0.60 0.00 0.00 178.31 179.94 2qma h GLU 944 N 0.47 0.19 -0.61 1.51 5.08 -1.09 -0.14 114.58 119.98 2qma h GLU 944 Ca -0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2qma h GLU 944 Cb 1.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2qma h GLU 944 CO 0.14 0.13 0.16 1.03 -1.00 0.00 0.00 179.01 179.47 2qma h SER 945 N 0.20 0.89 -0.28 1.42 0.87 -1.30 -0.81 113.55 114.53 2qma h SER 945 Ca 0.10 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2qma h SER 945 Cb 0.06 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2qma h SER 945 CO -0.10 0.86 0.15 0.25 -0.53 0.00 0.00 176.83 177.46 2qma h LEU 946 N 0.91 0.35 -0.86 2.23 5.85 -0.70 -0.27 115.31 122.83 2qma h LEU 946 Ca 0.20 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2qma h LEU 946 Cb 0.31 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2qma h LEU 946 CO -0.00 0.34 0.17 -0.07 -0.34 0.00 0.00 178.44 178.54 2qma h LEU 947 N 0.34 0.95 -0.57 2.25 3.38 -0.94 -1.52 115.31 119.20 2qma h LEU 947 Ca 0.10 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2qma h LEU 947 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qma h LEU 947 CO -0.02 0.91 0.37 -1.28 0.09 0.00 0.00 178.44 178.52 2qma h SER 948 N 0.97 0.64 -0.60 -0.43 0.87 -0.96 -0.23 113.55 113.81 2qma h SER 948 Ca 0.21 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2qma h SER 948 Cb 0.33 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 2qma h SER 948 CO -0.00 0.46 0.39 0.11 -0.53 0.00 0.00 176.83 177.26 2qma h LYS 949 N 0.76 0.78 -0.39 2.24 1.57 -0.71 -2.81 116.57 118.01 2qma h LYS 949 Ca 0.21 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2qma h LYS 949 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2qma h LYS 949 CO -0.05 0.52 0.01 0.82 -0.57 0.00 0.00 179.45 180.17 2qma h ILE 950 N 0.80 1.26 0.00 1.86 2.04 -1.10 -2.60 117.51 119.77 2qma h ILE 950 Ca 0.22 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2qma h ILE 950 Cb -0.09 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2qma h ILE 950 CO -0.05 0.33 0.00 -3.20 0.00 0.00 0.00 178.15 175.23 2qma n ASN 951 N -4.46 0.00 0.00 1.72 5.15 -0.11 -1.28 115.26 116.27 2qma n ASN 951 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2qma n ASN 951 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 2qma n ASN 951 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qma n LEU 953 N 0.84 0.00 -0.31 1.20 4.77 -0.98 -0.47 117.00 122.04 2qma n LEU 953 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2qma n LEU 953 Cb 0.00 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2qma n LEU 953 CO 0.00 0.00 1.19 0.00 -1.33 0.00 0.00 177.39 177.25 2qma h ALA 954 N 0.00 1.19 -0.25 -1.18 0.00 -1.48 -1.83 119.26 115.71 2qma h ALA 954 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qma h ALA 954 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qma h ALA 954 CO 0.00 0.27 0.17 0.28 0.00 0.00 0.00 179.25 179.97 2qma h VAL 955 N 0.96 0.98 -0.00 0.00 2.07 -1.05 -1.91 116.25 117.31 2qma h VAL 955 Ca 0.38 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2qma h VAL 955 Cb 0.19 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2qma h VAL 955 CO -0.18 0.04 -0.39 -0.62 0.02 0.00 0.00 177.57 176.44 2qma n GLU 956 N -4.49 0.22 0.00 1.57 -0.58 -0.71 -5.24 120.64 111.40 2qma n GLU 956 Ca 0.02 -0.12 0.06 0.00 -0.42 0.00 0.00 57.16 56.70 2qma n GLU 956 Cb 0.18 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.60 2qma n GLU 956 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93