#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7d h GLU 450 N 0.00 0.07 0.00 4.33 4.57 -2.04 -3.38 114.58 118.13 3k7d h GLU 450 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3k7d h GLU 450 Cb 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3k7d h GLU 450 CO 0.00 0.83 0.00 1.96 -1.18 0.00 0.00 179.01 180.62 3k7d h GLN 451 N 0.02 0.00 -0.03 1.92 4.20 -2.03 -2.43 115.11 116.76 3k7d h GLN 451 Ca -0.19 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.31 3k7d h GLN 451 Cb 1.94 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.73 3k7d h GLN 451 CO 0.12 0.00 -0.81 -1.49 -0.67 0.00 0.00 178.83 175.98 3k7d h TRP 452 N 0.00 0.87 -0.66 2.96 4.06 -1.93 0.16 115.95 121.41 3k7d h TRP 452 Ca 0.00 -0.45 -0.01 0.00 2.06 0.00 0.00 58.89 60.49 3k7d h TRP 452 Cb 0.51 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3k7d h TRP 452 CO 0.00 1.28 0.38 -0.09 -3.56 0.00 0.00 178.44 176.45 3k7d h ARG 453 N 0.22 0.91 -0.52 0.49 2.43 -1.70 -2.54 114.38 113.66 3k7d h ARG 453 Ca -0.09 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3k7d h ARG 453 Cb 1.48 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3k7d h ARG 453 CO 0.16 0.65 0.09 0.93 -1.51 0.00 0.00 179.97 180.29 3k7d h GLU 454 N 0.92 0.82 -0.31 0.20 5.08 -1.30 -2.01 114.58 117.98 3k7d h GLU 454 Ca 0.24 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3k7d h GLU 454 Cb -0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3k7d h GLU 454 CO -0.04 0.76 0.10 1.25 -1.00 0.00 0.00 179.01 180.08 3k7d h LEU 455 N 0.78 0.40 0.05 1.33 6.46 -0.52 -0.19 115.31 123.62 3k7d h LEU 455 Ca 0.17 -0.04 -0.28 0.00 -0.12 0.00 0.00 57.88 57.60 3k7d h LEU 455 Cb 0.34 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 3k7d h LEU 455 CO 0.00 0.39 -1.53 -0.25 -0.62 0.00 0.00 178.44 176.43 3k7d h TRP 456 N 0.44 0.19 -0.63 1.25 2.91 -1.51 -3.35 115.95 115.25 3k7d h TRP 456 Ca 0.11 -0.14 0.13 0.00 1.13 0.00 0.00 58.89 60.12 3k7d h TRP 456 Cb 0.14 -0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 28.67 3k7d h TRP 456 CO 0.00 1.60 -0.06 1.96 -1.03 0.00 0.00 178.44 180.92 3k7d h GLN 457 N -0.59 0.07 0.00 2.65 1.08 -1.32 -3.51 115.11 113.49 3k7d h GLN 457 Ca -0.37 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.77 3k7d h GLN 457 Cb 1.59 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 3k7d h GLN 457 CO -0.09 0.04 -0.03 -0.25 -0.95 0.00 0.00 178.83 177.55 3k7d n ASP 458 N -5.34 1.25 -0.21 1.46 8.00 -0.09 -5.10 116.55 116.53 3k7d n ASP 458 Ca 0.09 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3k7d n ASP 458 Cb 0.35 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3k7d n ASP 458 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3k7d n GLU 462 N -0.58 0.59 -2.42 -1.24 0.00 -1.26 -5.00 120.64 110.73 3k7d n GLU 462 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 3k7d n GLU 462 Cb 0.06 -1.12 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 3k7d n GLU 462 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k7d s ASP 463 N -1.00 7.10 -0.05 -1.84 -1.08 -1.26 -4.95 116.67 113.59 3k7d s ASP 463 Ca 0.00 2.07 -0.20 0.00 -0.52 0.00 0.00 52.55 53.90 3k7d s ASP 463 Cb 0.00 -2.59 -0.31 0.00 -1.46 0.00 0.00 42.92 38.56 3k7d s ASP 463 CO 0.00 -0.42 0.84 -0.78 0.52 0.00 0.00 175.17 175.33 3k7d h ASP 464 N 6.27 0.49 -0.29 -0.34 3.58 -2.03 -3.35 116.42 120.75 3k7d h ASP 464 Ca -0.43 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.09 3k7d h ASP 464 Cb 1.21 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.10 3k7d h ASP 464 CO 0.79 1.48 0.00 0.35 -2.88 0.00 0.00 179.24 178.97 3k7d n THR 465 N -4.04 1.28 -1.98 2.25 -2.24 -1.26 -4.90 114.28 103.38 3k7d n THR 465 Ca -0.16 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 3k7d n THR 465 Cb 0.87 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3k7d n THR 465 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k7d s THR 466 N -1.83 3.07 0.42 4.28 -1.32 -1.26 -4.89 115.64 114.11 3k7d s THR 466 Ca 0.27 0.59 0.08 0.00 -1.21 0.00 0.00 61.69 61.41 3k7d s THR 466 Cb 0.20 -3.38 0.26 0.00 -1.51 0.00 0.00 72.50 68.07 3k7d s THR 466 CO 0.09 0.01 2.07 -0.65 -2.21 0.00 0.00 174.62 173.92 3k7d h PRO 467 N 7.90 0.49 0.00 7.08 0.11 -1.97 -1.81 132.00 143.79 3k7d h PRO 467 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3k7d h PRO 467 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3k7d h PRO 467 CO 0.92 0.32 0.01 1.33 -0.21 0.00 0.00 178.00 180.38 3k7d n VAL 468 N -4.48 1.57 0.07 3.15 0.24 -1.26 -1.41 118.33 116.21 3k7d n VAL 468 Ca 0.02 0.40 0.01 0.00 -2.04 0.00 0.00 64.34 62.74 3k7d n VAL 468 Cb 0.06 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 3k7d n VAL 468 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3k7d n LEU 469 N -1.39 0.70 -0.06 1.34 4.77 -0.68 -4.72 117.00 116.95 3k7d n LEU 469 Ca 0.00 -0.79 0.16 0.00 -0.03 0.00 0.00 56.01 55.34 3k7d n LEU 469 Cb 0.01 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.68 3k7d n LEU 469 CO 0.00 0.16 1.19 0.00 -1.33 0.00 0.00 177.39 177.41 3k7d h ALA 470 N 0.27 2.22 0.00 -1.18 0.00 -1.29 -1.52 119.26 117.76 3k7d h ALA 470 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k7d h ALA 470 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k7d h ALA 470 CO 0.00 -0.37 -0.02 1.12 0.00 0.00 0.00 179.25 179.97 3k7d h HIS 471 N 0.25 0.00 -4.01 0.00 2.07 -1.84 -3.44 115.15 108.18 3k7d h HIS 471 Ca 0.29 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.34 3k7d h HIS 471 Cb 0.78 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.84 3k7d h HIS 471 CO -0.00 0.02 0.28 -0.51 -3.07 0.00 0.00 177.93 174.65 3k7d s LEU 472 N -7.31 2.89 0.53 6.12 1.43 -0.57 -5.08 118.68 116.68 3k7d s LEU 472 Ca -0.04 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 3k7d s LEU 472 Cb 0.14 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 3k7d s LEU 472 CO 0.53 -1.46 0.92 -0.94 0.23 0.00 0.00 176.35 175.63 3k7d s SER 473 N -4.44 6.39 0.10 2.29 1.04 -1.26 -4.78 113.70 113.04 3k7d s SER 473 Ca 0.58 1.31 -0.21 0.00 0.48 0.00 0.00 55.95 58.12 3k7d s SER 473 Cb -0.11 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 3k7d s SER 473 CO 0.47 -0.65 1.36 -0.33 0.98 0.00 0.00 173.24 175.06 3k7d h GLU 474 N 0.41 -0.06 -0.96 4.02 5.08 -1.97 0.38 114.58 121.48 3k7d h GLU 474 Ca -0.46 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.03 3k7d h GLU 474 Cb 1.19 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 3k7d h GLU 474 CO 0.62 -0.04 0.58 -0.44 -1.00 0.00 0.00 179.01 178.73 3k7d h ASP 475 N -0.06 0.82 -0.01 1.42 5.19 -1.98 0.29 116.42 122.10 3k7d h ASP 475 Ca 0.09 0.06 -0.23 0.00 -0.62 0.00 0.00 57.03 56.33 3k7d h ASP 475 Cb 0.30 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 39.73 3k7d h ASP 475 CO -0.57 0.41 -0.90 0.44 -3.12 0.00 0.00 179.24 175.50 3k7d h ASP 476 N 0.89 0.81 0.17 6.45 3.32 -1.40 0.57 116.42 127.23 3k7d h ASP 476 Ca 0.49 -0.74 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3k7d h ASP 476 Cb 0.55 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3k7d h ASP 476 CO -0.29 1.44 -0.26 -0.09 -1.72 0.00 0.00 179.24 178.32 3k7d h ARG 477 N 0.26 -0.48 -0.50 3.56 2.43 0.01 0.12 114.38 119.79 3k7d h ARG 477 Ca -0.11 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3k7d h ARG 477 Cb 1.57 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 31.15 3k7d h ARG 477 CO 0.18 -0.32 0.04 0.87 -1.51 0.00 0.00 179.97 179.22 3k7d h LYS 478 N -0.50 0.15 -0.08 0.20 1.57 -0.33 -2.07 116.57 115.52 3k7d h LYS 478 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3k7d h LYS 478 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3k7d h LYS 478 CO -0.11 0.10 0.05 0.37 -0.57 0.00 0.00 179.45 179.29 3k7d h GLN 479 N 0.15 0.11 -0.89 3.15 5.75 0.37 -1.99 115.11 121.76 3k7d h GLN 479 Ca 0.25 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 3k7d h GLN 479 Cb 0.37 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 3k7d h GLN 479 CO -0.39 0.09 0.56 0.28 -2.65 0.00 0.00 178.83 176.73 3k7d h VAL 480 N 0.09 1.07 -0.10 2.39 2.07 -0.32 -1.54 116.25 119.90 3k7d h VAL 480 Ca 0.03 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 3k7d h VAL 480 Cb 0.01 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3k7d h VAL 480 CO -0.01 0.19 -0.55 -0.07 0.02 0.00 0.00 177.57 177.16 3k7d h LEU 481 N 1.04 0.33 0.20 2.57 3.38 -1.19 -0.85 115.31 120.78 3k7d h LEU 481 Ca 0.38 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3k7d h LEU 481 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3k7d h LEU 481 CO -0.17 0.81 -0.31 0.74 0.09 0.00 0.00 178.44 179.61 3k7d h THR 482 N 0.23 0.34 -0.41 0.22 2.02 -0.72 -2.45 112.91 112.13 3k7d h THR 482 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k7d h THR 482 Cb 1.03 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3k7d h THR 482 CO 0.09 0.00 0.24 -0.07 0.37 0.00 0.00 175.52 176.15 3k7d h LEU 483 N -0.58 0.48 0.07 2.58 3.38 -0.94 0.11 115.31 120.42 3k7d h LEU 483 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k7d h LEU 483 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3k7d h LEU 483 CO -0.13 0.37 -0.03 0.40 0.09 0.00 0.00 178.44 179.14 3k7d h ILE 484 N 0.56 1.15 0.00 1.22 2.04 -1.01 -1.90 117.51 119.58 3k7d h ILE 484 Ca 0.15 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3k7d h ILE 484 Cb -0.02 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3k7d h ILE 484 CO -0.03 0.20 -0.48 0.00 0.00 0.00 0.00 178.15 177.85 3k7d h ALA 485 N 0.42 0.83 -0.16 1.87 0.00 -1.21 -1.37 119.26 119.64 3k7d h ALA 485 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3k7d h ALA 485 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3k7d h ALA 485 CO 0.02 0.59 0.02 -0.44 0.00 0.00 0.00 179.25 179.44 3k7d h ASP 486 N 0.00 -0.02 -0.05 0.00 3.32 -0.74 0.24 116.42 119.17 3k7d h ASP 486 Ca -0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3k7d h ASP 486 Cb 1.15 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3k7d h ASP 486 CO 0.06 0.01 -0.23 0.15 -1.72 0.00 0.00 179.24 177.52 3k7d h PHE 487 N 0.08 0.51 -0.53 4.55 3.57 -1.10 -1.28 116.94 122.74 3k7d h PHE 487 Ca 0.07 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3k7d h PHE 487 Cb 0.07 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3k7d h PHE 487 CO -0.14 0.66 -0.08 -0.09 -2.23 0.00 0.00 178.31 176.43 3k7d h ARG 488 N 0.41 0.97 0.00 1.11 2.43 -0.78 -2.40 114.38 116.13 3k7d h ARG 488 Ca 0.06 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 3k7d h ARG 488 Cb 0.63 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3k7d h ARG 488 CO 0.04 1.01 -0.42 0.87 -1.51 0.00 0.00 179.97 179.97 3k7d h LYS 489 N 0.88 0.00 -0.31 0.20 6.56 -0.19 -2.75 116.57 120.95 3k7d h LYS 489 Ca 0.14 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.65 3k7d h LYS 489 Cb 0.63 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 3k7d h LYS 489 CO 0.04 0.42 -0.15 0.93 -2.06 0.00 0.00 179.45 178.63 3k7d h GLU 490 N 0.00 0.54 -0.19 3.15 4.39 -0.94 -3.16 114.58 118.37 3k7d h GLU 490 Ca -0.00 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 3k7d h GLU 490 Cb 0.88 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3k7d h GLU 490 CO 0.05 0.68 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.31 3k7d h LEU 491 N 0.50 0.33 0.00 1.33 3.38 -1.13 -2.44 115.31 117.27 3k7d h LEU 491 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k7d h LEU 491 Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3k7d h LEU 491 CO 0.03 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.58 3k7d n ASP 492 N -4.19 0.00 -0.07 -0.43 8.00 -1.19 -3.54 116.55 115.14 3k7d n ASP 492 Ca -0.00 0.14 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 3k7d n ASP 492 Cb 0.34 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3k7d n ASP 492 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3k7d h LYS 493 N 0.00 0.00 -0.21 -1.24 3.64 -1.50 -3.41 116.57 113.85 3k7d h LYS 493 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k7d h LYS 493 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3k7d h LYS 493 CO 0.00 0.11 0.00 0.54 -2.27 0.00 0.00 179.45 177.83 3k7d n ARG 494 N -4.66 1.76 0.00 1.90 1.74 -1.17 -4.99 116.66 111.24 3k7d n ARG 494 Ca -0.06 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 3k7d n ARG 494 Cb 0.21 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3k7d n ARG 494 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3k7d n THR 495 N 0.39 0.00 -0.00 0.55 5.66 -1.23 -4.95 114.28 114.69 3k7d n THR 495 Ca 0.15 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3k7d n THR 495 Cb 0.33 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.11 3k7d n THR 495 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k7d n ILE 496 N 1.07 0.08 0.00 1.09 0.00 -1.26 -5.12 119.36 115.22 3k7d n ILE 496 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 62.75 63.12 3k7d n ILE 496 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 39.64 38.22 3k7d n ILE 496 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k7d n GLY 497 N 1.98 2.04 0.27 4.50 0.00 -1.26 -4.98 105.19 107.74 3k7d n GLY 497 Ca -0.01 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.83 3k7d n GLY 497 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k7d h PRO 498 N 0.00 0.05 -0.60 1.61 0.13 -2.02 0.49 132.00 131.66 3k7d h PRO 498 Ca 0.00 -0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 3k7d h PRO 498 Cb 0.00 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.00 3k7d h PRO 498 CO 0.00 0.03 -0.17 0.00 -0.23 0.00 0.00 178.00 177.63 3k7d h ARG 499 N 0.05 -0.02 0.29 0.86 -0.00 -2.02 -3.06 114.38 110.48 3k7d h ARG 499 Ca 0.37 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.84 3k7d h ARG 499 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.59 3k7d h ARG 499 CO -0.69 -0.02 -0.14 0.78 0.00 0.00 0.00 179.97 179.91 3k7d h GLY 500 N -0.02 -0.40 0.10 0.04 0.00 -0.42 -3.31 103.07 99.05 3k7d h GLY 500 Ca 0.29 0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.90 3k7d h GLY 500 CO -0.63 -0.15 0.17 3.21 0.00 0.00 0.00 176.54 179.14 3k7d h ARG 501 N -0.92 0.29 0.58 4.80 3.08 -1.33 -2.61 114.38 118.26 3k7d h ARG 501 Ca -0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3k7d h ARG 501 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3k7d h ARG 501 CO 0.07 0.19 -0.50 1.96 -1.07 0.00 0.00 179.97 180.61 3k7d h GLN 502 N 0.30 -1.02 -0.97 0.04 1.08 -1.66 -2.69 115.11 110.19 3k7d h GLN 502 Ca 0.36 0.07 0.14 0.00 -1.45 0.00 0.00 58.65 57.77 3k7d h GLN 502 Cb 0.56 0.23 -0.09 0.00 -0.05 0.00 0.00 27.48 28.13 3k7d h GLN 502 CO -0.43 -0.68 0.59 0.28 -0.95 0.00 0.00 178.83 177.63 3k7d h VAL 503 N -1.06 0.85 -0.81 -0.54 2.07 -1.56 0.29 116.25 115.49 3k7d h VAL 503 Ca -0.07 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3k7d h VAL 503 Cb 0.90 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3k7d h VAL 503 CO -0.02 0.16 0.45 -0.07 0.02 0.00 0.00 177.57 178.11 3k7d h LEU 504 N 0.88 0.62 -0.99 2.57 3.38 -1.35 0.20 115.31 120.62 3k7d h LEU 504 Ca 0.50 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.44 3k7d h LEU 504 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k7d h LEU 504 CO -0.30 0.35 -0.41 0.44 0.09 0.00 0.00 178.44 178.61 3k7d h ASP 505 N 0.74 0.00 1.14 -0.43 5.19 -0.12 0.19 116.42 123.14 3k7d h ASP 505 Ca 0.39 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.66 3k7d h ASP 505 Cb 0.39 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 3k7d h ASP 505 CO -0.26 0.41 -0.91 -0.74 -3.12 0.00 0.00 179.24 174.62 3k7d h HIS 506 N 0.00 0.00 0.01 4.55 2.76 -0.95 -3.37 115.15 118.15 3k7d h HIS 506 Ca -0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3k7d h HIS 506 Cb 0.88 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.85 3k7d h HIS 506 CO 0.00 0.62 -0.37 1.25 -1.30 0.00 0.00 177.93 178.14 3k7d h LEU 507 N 0.00 0.31 -0.53 0.26 5.85 -0.05 -3.37 115.31 117.77 3k7d h LEU 507 Ca -0.07 -0.79 -0.10 0.00 0.84 0.00 0.00 57.88 57.76 3k7d h LEU 507 Cb 1.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3k7d h LEU 507 CO 0.07 1.06 -0.05 0.24 -0.34 0.00 0.00 178.44 179.42 3k7d h MET 508 N -0.41 0.98 -0.36 1.25 2.86 -0.79 0.20 114.93 118.65 3k7d h MET 508 Ca -0.05 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3k7d h MET 508 Cb 1.13 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3k7d h MET 508 CO 0.07 1.01 0.24 -1.35 1.06 0.00 0.00 176.91 177.94 3k7d h PRO 509 N 0.85 0.47 -0.35 -0.22 0.11 -1.77 0.20 132.00 131.30 3k7d h PRO 509 Ca 0.14 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3k7d h PRO 509 Cb 0.60 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3k7d h PRO 509 CO 0.04 0.31 0.17 0.45 -0.21 0.00 0.00 178.00 178.76 3k7d h HIS 510 N 0.49 0.50 0.07 0.65 3.86 -1.56 -2.31 115.15 116.84 3k7d h HIS 510 Ca 0.13 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3k7d h HIS 510 Cb -0.05 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3k7d h HIS 510 CO -0.05 0.42 -0.19 1.25 0.86 0.00 0.00 177.93 180.22 3k7d h LEU 511 N 0.42 -0.54 -1.15 2.43 6.46 -0.37 -3.01 115.31 119.55 3k7d h LEU 511 Ca 0.12 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 3k7d h LEU 511 Cb 0.11 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 3k7d h LEU 511 CO -0.02 -0.27 0.15 -0.07 -0.62 0.00 0.00 178.44 177.62 3k7d h LEU 512 N -0.35 0.69 -2.24 2.25 3.38 -0.58 -2.02 115.31 116.44 3k7d h LEU 512 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k7d h LEU 512 Cb 0.38 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k7d h LEU 512 CO -0.13 0.66 -0.03 0.77 0.09 0.00 0.00 178.44 179.80 3k7d h SER 513 N 0.73 0.00 0.00 -0.43 4.64 -1.28 0.22 113.55 117.43 3k7d h SER 513 Ca 0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3k7d h SER 513 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 3k7d h SER 513 CO -0.01 0.03 -1.28 0.47 -0.87 0.00 0.00 176.83 175.17 3k7d n ASP 514 N -3.25 1.87 -0.21 4.97 8.00 -0.97 -3.76 116.55 123.20 3k7d n ASP 514 Ca -0.02 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3k7d n ASP 514 Cb 0.18 -0.89 0.08 0.00 -0.02 0.00 0.00 41.12 40.47 3k7d n ASP 514 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3k7d h VAL 515 N -1.00 0.42 0.00 2.53 2.07 -1.27 -2.40 116.25 116.60 3k7d h VAL 515 Ca -0.29 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3k7d h VAL 515 Cb 1.13 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3k7d h VAL 515 CO -0.18 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.33 3k7d h ALA 517 N 2.90 0.85 -2.40 0.00 0.00 -1.52 -3.47 119.26 115.62 3k7d h ALA 517 Ca 0.00 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.14 3k7d h ALA 517 Cb 0.55 -0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.38 3k7d h ALA 517 CO 0.00 0.36 0.37 1.03 0.00 0.00 0.00 179.25 181.01 3k7d s ARG 518 N -3.19 2.93 0.30 0.00 0.52 -1.07 -4.96 118.95 113.48 3k7d s ARG 518 Ca 0.04 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 3k7d s ARG 518 Cb 0.07 -1.97 0.46 0.00 0.52 0.00 0.00 34.95 34.03 3k7d s ARG 518 CO 0.70 -1.13 1.86 1.49 0.02 0.00 0.00 175.30 178.23 3k7d h GLU 519 N 0.01 0.78 -1.05 3.54 4.22 -1.90 -3.11 114.58 117.06 3k7d h GLU 519 Ca -0.46 -0.14 -0.43 0.00 0.08 0.00 0.00 59.36 58.41 3k7d h GLU 519 Cb 1.23 -0.13 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 3k7d h GLU 519 CO 0.55 0.69 0.54 -0.40 -2.18 0.00 0.00 179.01 178.21 3k7d n ASP 520 N -4.30 4.40 -0.34 1.04 5.68 -1.26 -4.70 116.55 117.08 3k7d n ASP 520 Ca 0.04 -3.28 -0.03 0.00 -0.50 0.00 0.00 54.79 51.02 3k7d n ASP 520 Cb 0.20 -0.82 0.11 0.00 -1.14 0.00 0.00 41.12 39.48 3k7d n ASP 520 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k7d h ALA 521 N 1.36 1.23 -0.31 2.12 0.00 -1.74 -0.12 119.26 121.80 3k7d h ALA 521 Ca 0.48 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3k7d h ALA 521 Cb 2.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3k7d h ALA 521 CO 0.93 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 180.76 3k7d h ALA 522 N 1.33 0.43 -0.16 0.00 0.00 -1.85 0.19 119.26 119.19 3k7d h ALA 522 Ca 0.33 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3k7d h ALA 522 Cb -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k7d h ALA 522 CO -0.06 0.26 -0.76 0.28 0.00 0.00 0.00 179.25 178.97 3k7d h VAL 523 N 0.38 1.28 -0.19 0.00 2.07 -1.92 -3.02 116.25 114.84 3k7d h VAL 523 Ca 0.08 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 3k7d h VAL 523 Cb 0.57 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3k7d h VAL 523 CO 0.03 0.62 -0.01 0.74 0.02 0.00 0.00 177.57 178.98 3k7d h THR 524 N 0.55 1.26 -0.15 2.57 2.02 -0.86 -2.69 112.91 115.60 3k7d h THR 524 Ca -0.05 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.28 3k7d h THR 524 Cb 1.39 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 3k7d h THR 524 CO 0.16 0.27 -0.10 0.25 0.37 0.00 0.00 175.52 176.47 3k7d h LEU 525 N 0.10 -0.32 -0.66 2.58 5.85 -0.73 -1.49 115.31 120.65 3k7d h LEU 525 Ca 0.05 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.98 3k7d h LEU 525 Cb 0.41 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 3k7d h LEU 525 CO 0.01 -0.13 0.04 -1.28 -0.34 0.00 0.00 178.44 176.74 3k7d h SER 526 N -0.10 -0.22 -0.94 1.25 0.87 -1.39 0.45 113.55 113.48 3k7d h SER 526 Ca 0.09 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3k7d h SER 526 Cb 0.23 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 3k7d h SER 526 CO -0.22 -0.10 0.59 0.03 -0.53 0.00 0.00 176.83 176.60 3k7d h ARG 527 N 0.15 1.26 -0.13 2.24 3.08 -1.19 -2.51 114.38 117.29 3k7d h ARG 527 Ca 0.35 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 3k7d h ARG 527 Cb 0.58 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3k7d h ARG 527 CO -0.54 0.86 -0.79 0.82 -1.07 0.00 0.00 179.97 179.26 3k7d h ILE 528 N 1.29 1.30 -0.26 2.04 2.04 0.83 -3.01 117.51 121.74 3k7d h ILE 528 Ca 0.34 -2.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 3k7d h ILE 528 Cb -0.09 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3k7d h ILE 528 CO -0.07 0.64 -0.17 0.71 0.00 0.00 0.00 178.15 179.26 3k7d h THR 529 N 0.47 1.24 0.00 -0.27 1.35 -0.75 -1.53 112.91 113.42 3k7d h THR 529 Ca -0.05 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3k7d h THR 529 Cb 1.41 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3k7d h THR 529 CO 0.16 0.35 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 3k7d h ALA 530 N 1.41 1.00 0.04 6.62 0.00 -1.34 -0.90 119.26 126.08 3k7d h ALA 530 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3k7d h ALA 530 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3k7d h ALA 530 CO 0.03 0.00 -1.75 -0.11 0.00 0.00 0.00 179.25 177.42 3k7d n LEU 531 N -2.77 2.19 -0.16 0.00 0.00 -0.66 -3.91 117.00 111.69 3k7d n LEU 531 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 56.01 56.25 3k7d n LEU 531 Cb 0.22 -0.99 0.01 0.00 0.00 0.00 0.00 43.42 42.67 3k7d n LEU 531 CO 0.22 0.54 1.06 -0.07 0.00 0.00 0.00 177.39 179.15 3k7d h LEU 532 N -0.61 0.56 -0.74 -1.96 3.38 -1.20 -2.71 115.31 112.03 3k7d h LEU 532 Ca -0.44 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.66 3k7d h LEU 532 Cb 1.61 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.11 3k7d h LEU 532 CO -0.14 0.42 0.19 0.58 0.09 0.00 0.00 178.44 179.57 3k7d h VAL 533 N 0.64 0.52 -0.97 1.22 2.07 -1.34 0.64 116.25 119.03 3k7d h VAL 533 Ca 0.17 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.74 3k7d h VAL 533 Cb -0.05 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 3k7d h VAL 533 CO -0.04 0.05 0.61 1.23 0.02 0.00 0.00 177.57 179.45 3k7d h GLY 534 N 0.28 1.53 -0.94 2.17 0.00 -1.60 -3.07 103.07 101.45 3k7d h GLY 534 Ca 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3k7d h GLY 534 CO -0.51 0.10 0.00 0.29 0.00 0.00 0.00 176.54 176.43 3k7d n ILE 535 N -4.62 0.78 0.27 2.60 -5.35 0.90 -4.60 119.36 109.33 3k7d n ILE 535 Ca 0.19 -0.89 0.17 0.00 -0.27 0.00 0.00 62.75 61.95 3k7d n ILE 535 Cb 0.43 0.65 0.80 0.00 -1.74 0.00 0.00 39.64 39.78 3k7d n ILE 535 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3k7d h VAL 536 N 1.63 0.10 0.08 7.28 2.07 0.19 -1.01 116.25 126.59 3k7d h VAL 536 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3k7d h VAL 536 Cb 0.61 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3k7d h VAL 536 CO 0.00 0.00 -0.53 0.74 0.02 0.00 0.00 177.57 177.80 3k7d h THR 537 N 0.00 1.58 -3.23 2.57 2.02 -1.83 -3.44 112.91 110.58 3k7d h THR 537 Ca 0.05 -2.38 -0.56 0.00 0.77 0.00 0.00 66.41 64.29 3k7d h THR 537 Cb 0.76 3.15 -0.08 0.00 -1.74 0.00 0.00 68.15 70.23 3k7d h THR 537 CO -0.00 0.66 0.89 -0.13 0.37 0.00 0.00 175.52 177.31 3k7d s ARG 538 N -2.53 3.49 0.11 6.66 0.52 -0.38 -4.89 118.95 121.93 3k7d s ARG 538 Ca -0.15 0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 3k7d s ARG 538 Cb 0.00 -4.01 -0.10 0.00 0.52 0.00 0.00 34.95 31.36 3k7d s ARG 538 CO 0.79 -1.62 1.38 1.15 0.02 0.00 0.00 175.30 177.02 3k7d h THR 539 N 6.14 1.29 -0.25 0.02 2.02 -1.86 -3.06 112.91 117.21 3k7d h THR 539 Ca -0.25 -1.68 0.07 0.00 0.77 0.00 0.00 66.41 65.33 3k7d h THR 539 Cb 1.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3k7d h THR 539 CO 1.16 0.54 0.36 0.00 0.37 0.00 0.00 175.52 177.95 3k7d h THR 540 N 0.54 0.29 0.11 3.16 1.03 -1.95 0.71 112.91 116.79 3k7d h THR 540 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.09 3k7d h THR 540 Cb 1.09 0.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.85 3k7d h THR 540 CO 0.11 0.00 -1.74 1.88 -0.01 0.00 0.00 175.52 175.76 3k7d h TYR 541 N 0.00 0.42 -0.54 0.00 0.05 -1.90 -3.10 116.97 111.90 3k7d h TYR 541 Ca 0.12 -0.31 -0.09 0.00 0.05 0.00 0.00 58.73 58.50 3k7d h TYR 541 Cb 0.83 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 3k7d h TYR 541 CO 0.00 1.48 -0.03 -0.07 -1.05 0.00 0.00 178.16 178.49 3k7d h LEU 542 N 0.06 0.96 -0.65 3.88 3.38 -1.06 -2.73 115.31 119.16 3k7d h LEU 542 Ca -0.32 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.43 3k7d h LEU 542 Cb 2.03 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.45 3k7d h LEU 542 CO 0.13 1.05 0.25 -0.33 0.09 0.00 0.00 178.44 179.63 3k7d h GLU 543 N 0.85 0.42 -0.52 1.13 5.08 -1.07 0.11 114.58 120.57 3k7d h GLU 543 Ca 0.15 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.63 3k7d h GLU 543 Cb 0.57 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3k7d h GLU 543 CO 0.03 0.28 0.38 1.25 -1.00 0.00 0.00 179.01 179.95 3k7d h LEU 544 N 0.44 0.03 0.15 1.33 5.85 -1.40 0.47 115.31 122.17 3k7d h LEU 544 Ca 0.33 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.71 3k7d h LEU 544 Cb 0.42 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3k7d h LEU 544 CO -0.32 0.01 -1.75 -0.07 -0.34 0.00 0.00 178.44 175.97 3k7d h LEU 545 N 0.03 0.48 -0.08 2.25 3.38 -1.05 -3.32 115.31 117.01 3k7d h LEU 545 Ca 0.25 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3k7d h LEU 545 Cb 0.96 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3k7d h LEU 545 CO -0.01 1.67 -0.00 0.28 0.09 0.00 0.00 178.44 180.47 3k7d h SER 546 N 0.08 0.13 -0.57 -0.43 0.02 0.90 -3.19 113.55 110.49 3k7d h SER 546 Ca -0.33 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.35 3k7d h SER 546 Cb 2.06 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.53 3k7d h SER 546 CO 0.15 0.41 0.38 -0.33 -1.14 0.00 0.00 176.83 176.30 3k7d h GLU 547 N -0.15 0.59 -3.13 3.45 5.08 -0.33 -3.41 114.58 116.68 3k7d h GLU 547 Ca 0.02 -0.04 -0.62 0.00 -1.00 0.00 0.00 59.36 57.72 3k7d h GLU 547 Cb 0.35 -0.13 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 3k7d h GLU 547 CO 0.00 0.39 -0.69 -0.06 -1.00 0.00 0.00 179.01 177.66 3k7d s PHE 548 N -5.54 2.57 0.21 4.33 0.08 -1.21 -4.96 117.98 113.46 3k7d s PHE 548 Ca -0.09 -2.80 -0.13 0.00 0.12 0.00 0.00 56.93 54.03 3k7d s PHE 548 Cb 0.19 -2.30 0.25 0.00 -0.57 0.00 0.00 43.02 40.59 3k7d s PHE 548 CO 0.75 -0.74 1.32 -2.30 -0.10 0.00 0.00 175.22 174.14 3k7d n PRO 549 N 3.20 -0.17 -0.11 0.24 -0.02 -1.26 -1.41 135.00 135.47 3k7d n PRO 549 Ca 0.09 1.31 -0.09 0.00 -2.02 0.00 0.00 63.50 62.79 3k7d n PRO 549 Cb 0.34 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3k7d n PRO 549 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k7d h ALA 550 N 1.30 -0.31 -0.28 3.55 0.00 -1.93 -0.80 119.26 120.80 3k7d h ALA 550 Ca 0.32 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.37 3k7d h ALA 550 Cb 0.53 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3k7d h ALA 550 CO -0.85 -0.80 -0.16 0.00 0.00 0.00 0.00 179.25 177.44 3k7d h ALA 551 N 0.57 0.04 -0.57 0.00 0.00 -1.36 -1.65 119.26 116.30 3k7d h ALA 551 Ca 0.15 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k7d h ALA 551 Cb 0.56 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3k7d h ALA 551 CO -0.53 -0.57 0.38 1.25 0.00 0.00 0.00 179.25 179.78 3k7d h LEU 552 N -0.14 0.66 -0.40 0.00 5.85 -1.04 0.18 115.31 120.43 3k7d h LEU 552 Ca 0.15 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3k7d h LEU 552 Cb 0.36 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3k7d h LEU 552 CO -0.36 0.48 0.16 0.50 -0.34 0.00 0.00 178.44 178.87 3k7d h LYS 553 N 0.77 0.32 -0.49 1.25 3.64 -0.71 -1.20 116.57 120.16 3k7d h LYS 553 Ca 0.21 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3k7d h LYS 553 Cb -0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3k7d h LYS 553 CO -0.04 0.21 0.02 0.45 -2.27 0.00 0.00 179.45 177.82 3k7d h HIS 554 N 0.33 0.92 -0.68 1.91 3.86 -0.99 -1.73 115.15 118.78 3k7d h HIS 554 Ca 0.18 -0.15 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 3k7d h HIS 554 Cb 0.14 -0.24 -0.13 0.00 1.06 0.00 0.00 27.41 28.24 3k7d h HIS 554 CO -0.13 0.86 -0.20 1.25 0.86 0.00 0.00 177.93 180.57 3k7d h LEU 555 N 0.71 -0.72 -0.04 2.43 7.12 -0.30 -1.85 115.31 122.67 3k7d h LEU 555 Ca 0.14 0.21 -0.04 0.00 0.13 0.00 0.00 57.88 58.33 3k7d h LEU 555 Cb 0.48 0.45 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 3k7d h LEU 555 CO 0.02 -0.24 -0.11 0.40 -0.13 0.00 0.00 178.44 178.38 3k7d h ILE 556 N -0.02 1.44 -0.48 4.05 2.04 -0.80 -1.60 117.51 122.14 3k7d h ILE 556 Ca 0.32 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 3k7d h ILE 556 Cb 0.51 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3k7d h ILE 556 CO -0.71 0.40 0.21 0.77 0.00 0.00 0.00 178.15 178.82 3k7d h SER 557 N -0.38 0.64 -0.45 1.72 4.64 -1.24 0.16 113.55 118.65 3k7d h SER 557 Ca -0.00 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3k7d h SER 557 Cb 0.71 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3k7d h SER 557 CO 0.02 0.62 0.29 -0.07 -0.87 0.00 0.00 176.83 176.82 3k7d h LEU 558 N 0.63 0.50 -0.98 5.97 3.38 -1.33 -1.40 115.31 122.07 3k7d h LEU 558 Ca 0.16 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3k7d h LEU 558 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k7d h LEU 558 CO -0.02 0.36 -0.49 0.00 0.09 0.00 0.00 178.44 178.38 3k7d h ALA 560 N 1.47 0.44 0.00 0.00 0.00 -0.32 -3.28 119.26 117.57 3k7d h ALA 560 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3k7d h ALA 560 Cb 0.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3k7d h ALA 560 CO 0.07 0.08 -0.46 0.00 0.00 0.00 0.00 179.25 178.94 3k7d h ALA 561 N 0.94 0.75 -2.15 0.00 0.00 -1.08 -3.46 119.26 114.25 3k7d h ALA 561 Ca 0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3k7d h ALA 561 Cb 0.25 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 17.69 3k7d h ALA 561 CO -0.00 0.58 -0.39 0.45 0.00 0.00 0.00 179.25 179.89 3k7d s SER 562 N -6.43 -0.21 0.44 0.00 0.15 -0.70 -4.93 113.70 102.02 3k7d s SER 562 Ca 0.03 0.74 0.23 0.00 0.70 0.00 0.00 55.95 57.65 3k7d s SER 562 Cb 0.08 1.38 1.02 0.00 -1.71 0.00 0.00 66.02 66.79 3k7d s SER 562 CO 0.73 -0.26 1.89 1.55 1.20 0.00 0.00 173.24 178.35 3k7d h PRO 563 N 8.15 0.00 -0.65 5.44 0.13 -1.77 -2.31 132.00 140.99 3k7d h PRO 563 Ca -0.18 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.06 3k7d h PRO 563 Cb 1.13 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 3k7d h PRO 563 CO 0.18 0.24 0.25 1.98 -0.23 0.00 0.00 178.00 180.42 3k7d h MET 564 N 0.00 0.41 0.06 0.86 4.05 -1.80 0.82 114.93 119.34 3k7d h MET 564 Ca -0.00 -0.02 -0.28 0.00 -0.28 0.00 0.00 59.70 59.11 3k7d h MET 564 Cb 0.64 -0.09 0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3k7d h MET 564 CO 0.03 0.27 -1.15 0.82 0.23 0.00 0.00 176.91 177.12 3k7d h ILE 565 N 0.42 1.28 -0.25 1.77 2.04 -1.75 -1.47 117.51 119.55 3k7d h ILE 565 Ca 0.34 -2.35 0.06 0.00 1.00 0.00 0.00 64.86 63.91 3k7d h ILE 565 Cb 0.45 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 3k7d h ILE 565 CO -0.34 0.72 -0.29 0.00 0.00 0.00 0.00 178.15 178.24 3k7d h ALA 566 N 0.33 -0.22 -0.72 1.87 0.00 -1.17 -0.69 119.26 118.66 3k7d h ALA 566 Ca -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k7d h ALA 566 Cb 1.81 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 20.16 3k7d h ALA 566 CO 0.22 -0.73 0.43 0.77 0.00 0.00 0.00 179.25 179.95 3k7d h SER 567 N -0.30 0.86 -0.46 0.00 0.02 -0.79 -1.55 113.55 111.33 3k7d h SER 567 Ca 0.13 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3k7d h SER 567 Cb 0.51 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3k7d h SER 567 CO -0.41 0.68 0.24 -0.61 -1.14 0.00 0.00 176.83 175.58 3k7d h GLN 568 N 0.98 0.66 -0.14 3.45 4.15 -0.91 0.77 115.11 124.07 3k7d h GLN 568 Ca 0.26 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 3k7d h GLN 568 Cb -0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3k7d h GLN 568 CO -0.05 0.53 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.01 3k7d h LEU 569 N 0.61 0.26 -0.35 -2.39 3.38 -0.93 0.33 115.31 116.22 3k7d h LEU 569 Ca 0.16 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3k7d h LEU 569 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k7d h LEU 569 CO -0.02 0.56 -0.40 0.00 0.09 0.00 0.00 178.44 178.67 3k7d h ALA 570 N 1.46 0.52 -0.24 1.53 0.00 -0.65 -2.98 119.26 118.89 3k7d h ALA 570 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 3k7d h ALA 570 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k7d h ALA 570 CO 0.05 0.63 -0.63 -0.09 0.00 0.00 0.00 179.25 179.21 3k7d h ARG 571 N 0.68 0.85 -2.17 0.00 2.43 -0.57 -3.39 114.38 112.22 3k7d h ARG 571 Ca 0.05 -0.59 -0.59 0.00 -0.81 0.00 0.00 59.98 58.03 3k7d h ARG 571 Cb 0.99 0.09 -0.42 0.00 -0.42 0.00 0.00 29.97 30.21 3k7d h ARG 571 CO 0.10 1.22 -0.65 0.66 -1.51 0.00 0.00 179.97 179.78 3k7d n TYR 572 N -3.98 3.25 0.28 2.20 4.01 0.12 -4.95 117.16 118.08 3k7d n TYR 572 Ca -0.05 -4.09 0.18 0.00 -0.16 0.00 0.00 57.90 53.78 3k7d n TYR 572 Cb 0.67 -0.53 0.97 0.00 -0.31 0.00 0.00 39.34 40.14 3k7d n TYR 572 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3k7d h PRO 573 N 4.10 0.00 -0.22 -0.72 0.13 -1.72 0.16 132.00 133.73 3k7d h PRO 573 Ca 0.18 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.38 3k7d h PRO 573 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3k7d h PRO 573 CO 0.80 0.00 0.29 1.25 -0.23 0.00 0.00 178.00 180.11 3k7d h LEU 574 N 0.00 0.00 -2.78 1.56 5.85 -1.92 -1.43 115.31 116.59 3k7d h LEU 574 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k7d h LEU 574 Cb 0.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3k7d h LEU 574 CO 0.00 0.00 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.03 3k7d h LEU 575 N 0.00 0.00 -2.15 2.25 3.38 -1.03 -2.81 115.31 114.95 3k7d h LEU 575 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3k7d h LEU 575 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3k7d h LEU 575 CO -0.00 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.42 3k7d h LEU 576 N 0.00 0.00 -2.73 1.67 3.38 -1.47 0.58 115.31 116.74 3k7d h LEU 576 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k7d h LEU 576 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k7d h LEU 576 CO 0.00 0.04 -0.01 -0.78 0.09 0.00 0.00 178.44 177.79 3k7d h ASP 577 N 0.00 0.00 0.84 -0.43 3.58 -1.71 -2.00 116.42 116.70 3k7d h ASP 577 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3k7d h ASP 577 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3k7d h ASP 577 CO 0.01 0.01 -0.06 -0.62 -2.88 0.00 0.00 179.24 175.70 3k7d n GLU 578 N -3.33 0.11 0.01 0.28 -0.58 0.20 -3.39 120.64 113.95 3k7d n GLU 578 Ca -0.03 -0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.82 3k7d n GLU 578 Cb 0.09 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.64 3k7d n GLU 578 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3k7d n LEU 579 N -1.43 0.58 -0.13 -4.62 4.77 -0.75 -4.03 117.00 111.38 3k7d n LEU 579 Ca 0.09 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 3k7d n LEU 579 Cb 0.32 -0.20 0.35 0.00 -2.33 0.00 0.00 43.42 41.56 3k7d n LEU 579 CO 0.27 0.10 1.20 -0.07 -1.33 0.00 0.00 177.39 177.56 3k7d h LEU 580 N 0.00 0.64 -7.27 2.23 4.07 -1.70 -3.34 115.31 109.94 3k7d h LEU 580 Ca 0.00 -0.01 -0.60 0.00 0.08 0.00 0.00 57.88 57.35 3k7d h LEU 580 Cb 0.56 -0.15 -0.40 0.00 1.08 0.00 0.00 40.66 41.75 3k7d h LEU 580 CO 0.00 0.44 -0.74 -0.62 -1.08 0.00 0.00 178.44 176.44 3k7d s ASP 581 N -6.40 4.19 0.47 -0.43 2.15 -1.26 -4.72 116.67 110.67 3k7d s ASP 581 Ca -0.09 -1.84 0.24 0.00 0.43 0.00 0.00 52.55 51.28 3k7d s ASP 581 Cb 0.18 -1.07 1.26 0.00 -0.30 0.00 0.00 42.92 42.99 3k7d s ASP 581 CO 0.76 -0.40 1.87 1.55 -0.17 0.00 0.00 175.17 178.79 3k7d h PRO 582 N 7.87 0.22 -0.21 4.34 0.13 -1.88 0.95 132.00 143.41 3k7d h PRO 582 Ca -0.10 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3k7d h PRO 582 Cb 1.01 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3k7d h PRO 582 CO 0.49 0.14 0.05 -0.91 -0.23 0.00 0.00 178.00 177.54 3k7d h ASN 583 N 0.22 0.27 0.00 1.44 2.35 -1.97 -2.21 115.58 115.68 3k7d h ASN 583 Ca 0.45 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.83 3k7d h ASN 583 Cb 1.38 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.62 3k7d h ASN 583 CO -0.11 0.29 -2.30 0.35 -1.65 0.00 0.00 177.43 174.01 3k7d n THR 584 N -4.41 1.30 -0.17 2.81 -2.24 -0.49 -3.65 114.28 107.43 3k7d n THR 584 Ca 0.00 -0.70 0.20 0.00 -2.27 0.00 0.00 64.05 61.29 3k7d n THR 584 Cb 0.15 -0.77 0.59 0.00 -2.10 0.00 0.00 70.33 68.19 3k7d n THR 584 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3k7d h LEU 585 N 0.00 0.24 -1.21 3.22 5.85 -0.72 -2.95 115.31 119.75 3k7d h LEU 585 Ca -0.51 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3k7d h LEU 585 Cb 2.04 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.04 3k7d h LEU 585 CO -0.01 0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 176.98 3k7d n TYR 586 N -4.43 0.00 -3.92 1.25 4.01 -0.85 -4.32 117.16 108.91 3k7d n TYR 586 Ca 0.16 -0.07 -0.34 0.00 -0.16 0.00 0.00 57.90 57.50 3k7d n TYR 586 Cb 0.70 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.59 3k7d n TYR 586 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3k7d s GLN 587 N -0.13 2.03 0.82 -0.72 -1.52 -1.11 -4.66 119.66 114.37 3k7d s GLN 587 Ca 0.00 -1.59 -0.12 0.00 -1.95 0.00 0.00 55.36 51.70 3k7d s GLN 587 Cb 0.00 -3.26 0.09 0.00 -0.22 0.00 0.00 33.01 29.62 3k7d s GLN 587 CO 0.00 -0.82 1.15 -2.14 -0.25 0.00 0.00 175.29 173.23 3k7d s PRO 588 N 1.11 1.67 0.27 2.91 0.02 -1.26 -4.72 135.00 135.00 3k7d s PRO 588 Ca 0.02 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 3k7d s PRO 588 Cb -0.20 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 3k7d s PRO 588 CO -0.04 -2.14 1.53 2.41 -0.33 0.00 0.00 177.00 178.42 3k7d n THR 589 N -3.56 0.98 -1.62 0.99 -1.04 -1.26 -4.93 114.28 103.84 3k7d n THR 589 Ca 0.12 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 3k7d n THR 589 Cb 0.52 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 3k7d n THR 589 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k7d n ALA 590 N 2.08 0.31 0.20 2.41 0.00 -1.26 -4.86 120.51 119.38 3k7d n ALA 590 Ca 0.10 0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.94 3k7d n ALA 590 Cb 0.35 -2.10 0.67 0.00 0.00 0.00 0.00 19.45 18.36 3k7d n ALA 590 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k7d h THR 591 N 1.84 0.91 -0.12 0.00 1.35 -1.99 0.95 112.91 115.84 3k7d h THR 591 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3k7d h THR 591 Cb 1.33 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3k7d h THR 591 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 3k7d n ASP 592 N -4.46 1.39 -0.00 5.36 5.75 -1.26 -4.13 116.55 119.20 3k7d n ASP 592 Ca 0.00 -1.63 0.05 0.00 -0.01 0.00 0.00 54.79 53.20 3k7d n ASP 592 Cb 0.22 -0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 3k7d n ASP 592 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k7d n ALA 593 N 0.13 3.32 -0.26 2.12 0.00 0.33 -4.63 120.51 121.52 3k7d n ALA 593 Ca 0.16 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.38 3k7d n ALA 593 Cb 0.29 -0.37 0.20 0.00 0.00 0.00 0.00 19.45 19.57 3k7d n ALA 593 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k7d h TYR 594 N 0.00 0.37 -0.48 0.00 0.05 -1.71 0.73 116.97 115.93 3k7d h TYR 594 Ca 0.00 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3k7d h TYR 594 Cb 0.25 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3k7d h TYR 594 CO 0.00 -0.05 0.04 0.00 -1.05 0.00 0.00 178.16 177.10 3k7d h ARG 595 N 0.32 0.83 -0.67 4.88 3.08 -1.90 -2.12 114.38 118.81 3k7d h ARG 595 Ca 0.43 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3k7d h ARG 595 Cb 0.72 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3k7d h ARG 595 CO -0.49 0.86 0.12 -0.44 -1.07 0.00 0.00 179.97 178.95 3k7d h ASP 596 N 0.69 1.05 -0.22 7.04 3.32 -1.42 -1.03 116.42 125.85 3k7d h ASP 596 Ca 0.14 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 3k7d h ASP 596 Cb 0.46 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3k7d h ASP 596 CO 0.02 1.03 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.69 3k7d h GLU 597 N 1.03 0.77 -0.52 3.56 4.39 -0.88 -1.79 114.58 121.14 3k7d h GLU 597 Ca 0.21 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.42 3k7d h GLU 597 Cb 0.42 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3k7d h GLU 597 CO 0.01 1.15 0.28 1.25 -1.16 0.00 0.00 179.01 180.53 3k7d h LEU 598 N 0.50 0.41 -0.82 1.33 5.85 -1.25 0.23 115.31 121.57 3k7d h LEU 598 Ca -0.00 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3k7d h LEU 598 Cb 1.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3k7d h LEU 598 CO 0.12 0.28 -0.49 0.03 -0.34 0.00 0.00 178.44 178.04 3k7d h ARG 599 N 0.54 0.00 -0.06 1.25 3.08 -1.00 -0.41 114.38 117.78 3k7d h ARG 599 Ca 0.23 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3k7d h ARG 599 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k7d h ARG 599 CO -0.15 0.49 -0.48 0.37 -1.07 0.00 0.00 179.97 179.13 3k7d h GLN 600 N 0.00 0.43 -0.79 0.04 4.15 -0.97 -2.84 115.11 115.13 3k7d h GLN 600 Ca -0.00 -0.39 0.13 0.00 0.77 0.00 0.00 58.65 59.16 3k7d h GLN 600 Cb 1.01 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.74 3k7d h GLN 600 CO 0.06 1.03 0.52 -0.92 -1.93 0.00 0.00 178.83 177.60 3k7d h TYR 601 N -0.03 0.64 -0.00 3.99 3.20 0.26 -2.54 116.97 122.49 3k7d h TYR 601 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3k7d h TYR 601 Cb 1.16 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3k7d h TYR 601 CO 0.13 0.26 -0.25 1.28 -1.64 0.00 0.00 178.16 177.94 3k7d n LEU 602 N -4.51 0.29 -0.36 2.82 4.77 -0.24 -4.28 117.00 115.49 3k7d n LEU 602 Ca 0.15 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 3k7d n LEU 602 Cb 0.46 -0.35 0.28 0.00 -2.33 0.00 0.00 43.42 41.48 3k7d n LEU 602 CO 0.32 0.07 1.22 0.25 -1.33 0.00 0.00 177.39 177.91 3k7d h LEU 603 N 0.05 0.85 -1.94 2.23 5.85 -1.20 -1.90 115.31 119.25 3k7d h LEU 603 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3k7d h LEU 603 Cb 0.49 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3k7d h LEU 603 CO 0.00 0.38 0.00 0.54 -0.34 0.00 0.00 178.44 179.02 3k7d n ARG 604 N -4.69 2.22 -3.50 1.25 3.00 -1.26 -4.80 116.66 108.88 3k7d n ARG 604 Ca 0.21 -1.90 -0.38 0.00 -0.01 0.00 0.00 57.85 55.77 3k7d n ARG 604 Cb 0.46 -1.42 -0.09 0.00 0.00 0.00 0.00 32.46 31.41 3k7d n ARG 604 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3k7d s VAL 605 N -1.33 5.26 0.34 1.55 1.01 -0.72 -5.05 120.40 121.46 3k7d s VAL 605 Ca 0.36 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 3k7d s VAL 605 Cb 0.19 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 3k7d s VAL 605 CO 0.25 0.24 1.28 -2.65 0.00 0.00 0.00 175.10 174.22 3k7d n PRO 606 N 4.85 2.10 0.17 2.72 -0.02 -1.26 -4.87 135.00 138.68 3k7d n PRO 606 Ca -0.11 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.13 3k7d n PRO 606 Cb 0.51 -2.31 0.27 0.00 -0.02 0.00 0.00 33.50 31.96 3k7d n PRO 606 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k7d h GLU 607 N 2.56 0.00 0.00 -0.52 5.08 -1.95 -3.19 114.58 116.56 3k7d h GLU 607 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3k7d h GLU 607 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3k7d h GLU 607 CO 0.63 0.47 -0.79 -0.40 -1.00 0.00 0.00 179.01 177.92 3k7d n ASP 608 N -3.70 0.77 -4.38 1.42 5.75 -1.26 -4.75 116.55 110.40 3k7d n ASP 608 Ca -0.01 -0.65 -0.45 0.00 -0.01 0.00 0.00 54.79 53.67 3k7d n ASP 608 Cb 0.54 0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 41.28 3k7d n ASP 608 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k7d s ASP 609 N -3.03 6.55 0.28 -1.12 -1.08 -1.21 -4.89 116.67 112.18 3k7d s ASP 609 Ca 0.09 -2.11 0.01 0.00 -0.52 0.00 0.00 52.55 50.02 3k7d s ASP 609 Cb 0.17 -2.30 0.54 0.00 -1.46 0.00 0.00 42.92 39.87 3k7d s ASP 609 CO 0.80 -0.90 1.84 -0.08 0.52 0.00 0.00 175.17 177.35 3k7d h GLU 610 N 8.55 0.98 -0.36 4.34 4.81 -1.88 -1.87 114.58 129.15 3k7d h GLU 610 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3k7d h GLU 610 Cb 1.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3k7d h GLU 610 CO 0.98 0.65 0.19 1.49 -0.73 0.00 0.00 179.01 181.59 3k7d h GLU 611 N 1.01 0.51 -0.46 1.92 4.22 -1.98 0.67 114.58 120.48 3k7d h GLU 611 Ca 0.49 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.75 3k7d h GLU 611 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3k7d h GLU 611 CO -0.25 0.43 -0.17 1.96 -2.18 0.00 0.00 179.01 178.80 3k7d h GLN 612 N 0.46 0.93 -0.05 1.92 4.20 -1.80 -1.62 115.11 119.14 3k7d h GLN 612 Ca 0.13 -0.38 0.03 0.00 0.06 0.00 0.00 58.65 58.49 3k7d h GLN 612 Cb 0.08 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3k7d h GLN 612 CO -0.02 1.04 -0.20 1.96 -0.67 0.00 0.00 178.83 180.95 3k7d h GLN 613 N 0.77 -0.28 -0.94 1.46 1.08 -1.19 0.46 115.11 116.46 3k7d h GLN 613 Ca 0.11 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.43 3k7d h GLN 613 Cb 0.74 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.16 3k7d h GLN 613 CO 0.06 -0.19 0.61 -0.07 -0.95 0.00 0.00 178.83 178.29 3k7d h LEU 614 N -0.29 0.88 -0.19 1.46 4.07 -0.65 -0.15 115.31 120.43 3k7d h LEU 614 Ca 0.07 0.03 -0.22 0.00 0.08 0.00 0.00 57.88 57.84 3k7d h LEU 614 Cb 0.39 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.98 3k7d h LEU 614 CO -0.22 0.51 -0.87 -0.08 -1.08 0.00 0.00 178.44 176.71 3k7d h GLU 615 N 0.96 0.57 -0.66 1.13 4.57 -0.92 -1.97 114.58 118.25 3k7d h GLU 615 Ca 0.44 -0.53 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3k7d h GLU 615 Cb 0.40 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3k7d h GLU 615 CO -0.20 1.15 0.36 0.00 -1.18 0.00 0.00 179.01 179.14 3k7d h ALA 616 N 0.68 0.85 -0.42 2.92 0.00 -0.15 0.22 119.26 123.35 3k7d h ALA 616 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3k7d h ALA 616 Cb 1.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3k7d h ALA 616 CO 0.16 0.36 0.18 -0.07 0.00 0.00 0.00 179.25 179.89 3k7d h LEU 617 N 0.90 0.58 -0.24 0.00 3.38 -0.84 -0.16 115.31 118.93 3k7d h LEU 617 Ca 0.23 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k7d h LEU 617 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3k7d h LEU 617 CO -0.04 0.57 0.13 0.03 0.09 0.00 0.00 178.44 179.22 3k7d h ARG 618 N 0.54 0.26 -0.35 1.13 3.08 -1.06 -1.32 114.38 116.66 3k7d h ARG 618 Ca 0.14 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3k7d h ARG 618 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3k7d h ARG 618 CO -0.01 0.17 0.04 1.96 -1.07 0.00 0.00 179.97 181.06 3k7d h GLN 619 N 0.26 0.15 -0.72 0.04 4.20 -0.64 -2.19 115.11 116.21 3k7d h GLN 619 Ca 0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3k7d h GLN 619 Cb 0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3k7d h GLN 619 CO -0.06 0.10 0.30 0.35 -0.67 0.00 0.00 178.83 178.85 3k7d h PHE 620 N 0.15 1.09 -0.29 2.96 3.57 -0.76 -1.46 116.94 122.20 3k7d h PHE 620 Ca 0.17 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k7d h PHE 620 Cb 0.21 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3k7d h PHE 620 CO -0.21 0.83 0.13 -0.22 -2.23 0.00 0.00 178.31 176.62 3k7d h LYS 621 N 1.03 0.43 -0.53 1.11 3.64 -1.03 -1.43 116.57 119.79 3k7d h LYS 621 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3k7d h LYS 621 Cb 0.20 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3k7d h LYS 621 CO -0.02 0.43 0.35 1.96 -2.27 0.00 0.00 179.45 179.90 3k7d h GLN 622 N 0.33 0.70 -0.40 1.90 1.08 -1.24 0.65 115.11 118.13 3k7d h GLN 622 Ca 0.10 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3k7d h GLN 622 Cb 0.15 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3k7d h GLN 622 CO -0.01 0.46 0.16 0.00 -0.95 0.00 0.00 178.83 178.49 3k7d h ALA 623 N 1.19 1.53 0.06 3.87 0.00 -1.03 -0.51 119.26 124.37 3k7d h ALA 623 Ca 0.19 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 3k7d h ALA 623 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3k7d h ALA 623 CO -0.04 0.37 -1.16 1.96 0.00 0.00 0.00 179.25 180.37 3k7d h GLN 624 N 0.57 0.12 -0.58 0.00 1.08 -0.68 -2.38 115.11 113.23 3k7d h GLN 624 Ca 0.14 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3k7d h GLN 624 Cb 0.12 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3k7d h GLN 624 CO -0.01 1.07 0.26 -0.07 -0.95 0.00 0.00 178.83 179.13 3k7d h LEU 625 N 0.03 0.75 -0.28 1.46 3.38 -0.56 -0.47 115.31 119.63 3k7d h LEU 625 Ca -0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3k7d h LEU 625 Cb 1.88 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3k7d h LEU 625 CO 0.16 0.66 -0.07 0.25 0.09 0.00 0.00 178.44 179.53 3k7d h LEU 626 N 0.83 0.54 -0.36 1.67 5.85 -0.97 -2.15 115.31 120.72 3k7d h LEU 626 Ca 0.20 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 3k7d h LEU 626 Cb 0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k7d h LEU 626 CO -0.02 0.78 -0.22 0.03 -0.34 0.00 0.00 178.44 178.68 3k7d h ARG 627 N 0.30 0.79 -0.08 1.25 3.08 -1.13 0.95 114.38 119.54 3k7d h ARG 627 Ca 0.07 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.78 3k7d h ARG 627 Cb 0.55 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3k7d h ARG 627 CO 0.03 0.99 -0.06 0.82 -1.07 0.00 0.00 179.97 180.68 3k7d h ILE 628 N 0.58 0.83 -0.44 2.04 2.04 -1.14 -0.29 117.51 121.13 3k7d h ILE 628 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3k7d h ILE 628 Cb 0.77 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3k7d h ILE 628 CO 0.06 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.46 3k7d h ALA 629 N 1.01 0.56 -0.54 1.87 0.00 -1.17 -0.98 119.26 120.01 3k7d h ALA 629 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3k7d h ALA 629 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k7d h ALA 629 CO -0.12 0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.20 3k7d h ALA 630 N 1.11 0.98 -0.27 0.00 0.00 -0.65 0.33 119.26 120.76 3k7d h ALA 630 Ca 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k7d h ALA 630 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3k7d h ALA 630 CO -0.03 0.62 0.14 0.00 0.00 0.00 0.00 179.25 179.98 3k7d h ALA 631 N 1.14 0.35 -0.10 0.00 0.00 -0.70 0.54 119.26 120.49 3k7d h ALA 631 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3k7d h ALA 631 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3k7d h ALA 631 CO 0.02 -0.10 -0.16 0.22 0.00 0.00 0.00 179.25 179.23 3k7d h ASP 632 N 0.32 -0.50 -0.43 0.00 1.82 -0.88 -0.45 116.42 116.30 3k7d h ASP 632 Ca 0.09 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 3k7d h ASP 632 Cb 0.09 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 3k7d h ASP 632 CO -0.01 -0.21 0.12 0.40 -1.61 0.00 0.00 179.24 177.92 3k7d h ILE 633 N -0.22 1.22 -0.00 2.25 1.08 -0.65 -1.77 117.51 119.42 3k7d h ILE 633 Ca 0.09 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3k7d h ILE 633 Cb 0.34 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 3k7d h ILE 633 CO -0.23 0.27 -0.11 0.00 -0.69 0.00 0.00 178.15 177.39 3k7d n ALA 634 N -2.35 2.77 -0.90 1.87 0.00 0.16 -4.91 120.51 117.15 3k7d n ALA 634 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3k7d n ALA 634 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3k7d n ALA 634 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k7d n GLY 635 N 1.27 0.44 0.06 0.00 0.00 -0.31 -4.92 105.19 101.73 3k7d n GLY 635 Ca 0.15 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.30 3k7d n GLY 635 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k7d n THR 636 N -2.90 0.00 -4.08 2.61 -2.24 -0.45 -4.73 114.28 102.49 3k7d n THR 636 Ca 0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3k7d n THR 636 Cb 0.00 0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 68.77 3k7d n THR 636 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k7d s LEU 637 N -2.93 2.01 0.39 3.22 2.96 -0.95 -4.96 118.68 118.42 3k7d s LEU 637 Ca 0.11 -0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 3k7d s LEU 637 Cb 0.17 -1.36 -0.11 0.00 0.50 0.00 0.00 46.19 45.39 3k7d s LEU 637 CO 0.76 -0.03 1.29 -2.65 -1.32 0.00 0.00 176.35 174.40 3k7d n PRO 638 N 4.67 2.04 0.24 0.98 -0.02 -1.26 -4.14 135.00 137.52 3k7d n PRO 638 Ca -0.19 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3k7d n PRO 638 Cb 0.50 -2.38 0.82 0.00 -0.02 0.00 0.00 33.50 32.42 3k7d n PRO 638 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3k7d h VAL 639 N 2.30 0.62 0.00 -1.45 3.04 -1.96 -1.00 116.25 117.79 3k7d h VAL 639 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3k7d h VAL 639 Cb 1.29 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 3k7d h VAL 639 CO 0.61 0.00 0.12 0.24 -1.01 0.00 0.00 177.57 177.53 3k7d h MET 640 N 0.00 0.00 -0.03 4.17 2.86 -1.97 -2.50 114.93 117.47 3k7d h MET 640 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3k7d h MET 640 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3k7d h MET 640 CO -0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 3k7d n LYS 641 N -2.69 0.51 -0.05 1.72 5.02 -0.38 -4.61 118.16 117.68 3k7d n LYS 641 Ca -0.02 -1.14 -0.12 0.00 -2.02 0.00 0.00 58.31 55.01 3k7d n LYS 641 Cb 0.16 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3k7d n LYS 641 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3k7d h VAL 642 N 1.99 1.23 -0.75 -0.18 2.07 -1.51 -1.17 116.25 117.93 3k7d h VAL 642 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3k7d h VAL 642 Cb 0.44 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3k7d h VAL 642 CO 0.00 0.22 0.48 0.28 0.02 0.00 0.00 177.57 178.57 3k7d h SER 643 N 0.04 0.88 -0.45 0.57 0.02 -1.78 0.21 113.55 113.04 3k7d h SER 643 Ca 0.05 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 3k7d h SER 643 Cb 0.32 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 3k7d h SER 643 CO 0.00 0.66 0.04 0.44 -1.14 0.00 0.00 176.83 176.84 3k7d h ASP 644 N 1.02 -0.10 -0.12 3.07 3.32 -1.74 -0.50 116.42 121.38 3k7d h ASP 644 Ca 0.27 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 3k7d h ASP 644 Cb -0.08 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3k7d h ASP 644 CO -0.06 -0.02 0.03 0.45 -1.72 0.00 0.00 179.24 177.93 3k7d h HIS 645 N 0.16 0.20 -0.33 4.55 3.86 -0.22 -0.92 115.15 122.45 3k7d h HIS 645 Ca 0.23 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.48 3k7d h HIS 645 Cb 0.31 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3k7d h HIS 645 CO -0.25 0.36 0.23 -0.07 0.86 0.00 0.00 177.93 179.06 3k7d h LEU 646 N -0.02 0.11 0.06 2.43 3.38 -0.55 -0.49 115.31 120.23 3k7d h LEU 646 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3k7d h LEU 646 Cb 0.26 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k7d h LEU 646 CO 0.00 0.07 -0.65 0.74 0.09 0.00 0.00 178.44 178.70 3k7d h THR 647 N 0.12 1.48 -1.00 0.22 2.02 -0.77 -1.33 112.91 113.66 3k7d h THR 647 Ca 0.15 -2.27 0.04 0.00 0.77 0.00 0.00 66.41 65.11 3k7d h THR 647 Cb 0.45 2.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 3k7d h THR 647 CO -0.02 0.65 0.65 -0.50 0.37 0.00 0.00 175.52 176.67 3k7d h TRP 648 N -0.27 1.22 0.20 3.16 4.06 -0.77 -1.24 115.95 122.30 3k7d h TRP 648 Ca -0.10 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 3k7d h TRP 648 Cb 1.42 -0.41 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 3k7d h TRP 648 CO 0.17 0.69 -0.09 1.25 -3.56 0.00 0.00 178.44 176.90 3k7d h LEU 649 N 1.25 -0.22 -0.79 -4.49 5.85 -1.10 -1.75 115.31 114.07 3k7d h LEU 649 Ca 0.40 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.21 3k7d h LEU 649 Cb 0.03 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3k7d h LEU 649 CO -0.13 -0.12 0.40 0.00 -0.34 0.00 0.00 178.44 178.25 3k7d h ALA 650 N 0.49 1.13 0.00 1.25 0.00 -0.91 0.32 119.26 121.54 3k7d h ALA 650 Ca -0.03 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3k7d h ALA 650 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3k7d h ALA 650 CO 0.04 -0.04 -0.44 0.93 0.00 0.00 0.00 179.25 179.75 3k7d h GLU 651 N 0.64 0.00 -0.27 0.00 5.08 -0.99 0.37 114.58 119.41 3k7d h GLU 651 Ca 0.40 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.61 3k7d h GLU 651 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3k7d h GLU 651 CO -0.30 0.44 -0.43 0.00 -1.00 0.00 0.00 179.01 177.71 3k7d h ALA 652 N 1.56 0.41 -0.47 3.43 0.00 -0.10 -0.76 119.26 123.33 3k7d h ALA 652 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3k7d h ALA 652 Cb 0.83 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3k7d h ALA 652 CO 0.06 0.54 0.27 0.52 0.00 0.00 0.00 179.25 180.64 3k7d h MET 653 N 0.51 0.65 -0.18 0.00 2.86 -0.64 -1.40 114.93 116.74 3k7d h MET 653 Ca 0.02 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3k7d h MET 653 Cb 1.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3k7d h MET 653 CO 0.10 0.50 0.09 0.82 1.06 0.00 0.00 176.91 179.48 3k7d h ILE 654 N 0.63 1.01 -0.60 -1.22 2.04 -0.81 -0.50 117.51 118.06 3k7d h ILE 654 Ca 0.17 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3k7d h ILE 654 Cb 0.02 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 3k7d h ILE 654 CO -0.03 0.04 0.17 -0.78 0.00 0.00 0.00 178.15 177.55 3k7d h ASP 655 N 0.20 0.10 -0.14 1.72 1.82 -0.80 -0.33 116.42 119.00 3k7d h ASP 655 Ca 0.07 0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 3k7d h ASP 655 Cb 0.01 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 3k7d h ASP 655 CO -0.04 0.06 -0.18 0.00 -1.61 0.00 0.00 179.24 177.47 3k7d h ALA 656 N 1.45 1.14 -0.12 -0.78 0.00 -0.65 -1.61 119.26 118.69 3k7d h ALA 656 Ca 0.31 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k7d h ALA 656 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k7d h ALA 656 CO -0.36 0.54 -0.43 0.28 0.00 0.00 0.00 179.25 179.29 3k7d h VAL 657 N 0.49 1.37 -0.35 0.00 2.07 -0.37 -1.59 116.25 117.87 3k7d h VAL 657 Ca 0.08 -1.73 0.06 0.00 0.82 0.00 0.00 66.70 65.92 3k7d h VAL 657 Cb 0.59 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 3k7d h VAL 657 CO 0.04 0.52 0.04 0.58 0.02 0.00 0.00 177.57 178.77 3k7d h VAL 658 N 0.11 0.79 -0.59 2.57 2.07 -0.95 -0.12 116.25 120.14 3k7d h VAL 658 Ca -0.02 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.55 3k7d h VAL 658 Cb 1.06 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 3k7d h VAL 658 CO 0.09 0.03 0.18 -0.61 0.02 0.00 0.00 177.57 177.27 3k7d h GLN 659 N 0.15 0.32 -0.19 1.57 5.75 -1.15 0.41 115.11 121.97 3k7d h GLN 659 Ca 0.17 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.55 3k7d h GLN 659 Cb 0.21 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 3k7d h GLN 659 CO -0.24 0.21 -0.27 0.37 -2.65 0.00 0.00 178.83 176.25 3k7d h GLN 660 N 0.33 0.52 -0.48 1.69 4.15 -0.79 -1.95 115.11 118.58 3k7d h GLN 660 Ca 0.30 -0.31 0.03 0.00 0.77 0.00 0.00 58.65 59.45 3k7d h GLN 660 Cb 0.41 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3k7d h GLN 660 CO -0.34 0.90 0.26 0.00 -1.93 0.00 0.00 178.83 177.72 3k7d h ALA 661 N 0.61 0.61 -0.32 3.38 0.00 -0.57 -2.50 119.26 120.48 3k7d h ALA 661 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3k7d h ALA 661 Cb 0.85 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3k7d h ALA 661 CO 0.06 -0.07 -0.05 2.35 0.00 0.00 0.00 179.25 181.54 3k7d h TRP 662 N 0.52 -0.11 -0.52 0.00 2.91 -0.05 -0.06 115.95 118.63 3k7d h TRP 662 Ca 0.20 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.28 3k7d h TRP 662 Cb 0.07 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 3k7d h TRP 662 CO -0.08 -0.11 0.30 0.28 -1.03 0.00 0.00 178.44 177.80 3k7d h VAL 663 N 0.03 1.03 -0.23 2.65 2.07 -1.28 -0.69 116.25 119.83 3k7d h VAL 663 Ca 0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3k7d h VAL 663 Cb 0.22 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3k7d h VAL 663 CO -0.30 0.11 0.15 1.56 0.02 0.00 0.00 177.57 179.11 3k7d h GLN 664 N 0.60 0.31 -0.41 1.57 4.20 -0.93 -1.80 115.11 118.64 3k7d h GLN 664 Ca 0.22 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 3k7d h GLN 664 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3k7d h GLN 664 CO -0.11 0.21 -0.18 0.52 -0.67 0.00 0.00 178.83 178.59 3k7d h MET 665 N 0.32 0.78 -0.38 1.46 2.86 -0.78 -2.59 114.93 116.60 3k7d h MET 665 Ca 0.09 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 3k7d h MET 665 Cb -0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3k7d h MET 665 CO -0.02 0.91 -0.12 0.28 1.06 0.00 0.00 176.91 179.02 3k7d h VAL 666 N 0.69 1.25 0.00 -2.22 2.07 -1.00 0.68 116.25 117.72 3k7d h VAL 666 Ca 0.10 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3k7d h VAL 666 Cb 0.68 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3k7d h VAL 666 CO 0.05 0.38 -0.42 0.00 0.02 0.00 0.00 177.57 177.60 3k7d h ALA 667 N 1.25 1.17 0.09 1.67 0.00 -0.96 0.35 119.26 122.82 3k7d h ALA 667 Ca 0.11 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 3k7d h ALA 667 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k7d h ALA 667 CO 0.04 0.52 -1.31 -0.09 0.00 0.00 0.00 179.25 178.41 3k7d h ARG 668 N 0.00 0.19 0.00 0.00 9.65 -1.14 -3.42 114.38 119.67 3k7d h ARG 668 Ca -0.00 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3k7d h ARG 668 Cb 0.81 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 3k7d h ARG 668 CO 0.05 1.16 -1.44 0.66 2.80 0.00 0.00 179.97 183.20 3k7d n TYR 669 N -4.03 0.00 -3.90 2.20 4.01 0.20 -2.91 117.16 112.74 3k7d n TYR 669 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 3k7d n TYR 669 Cb 0.85 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3k7d n TYR 669 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k7d n GLY 670 N 1.76 -1.74 3.42 2.72 0.00 0.12 0.56 105.19 112.03 3k7d n GLY 670 Ca -0.02 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 3k7d n GLY 670 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k7d s LYS 671 N 0.00 1.51 0.47 1.61 -2.85 -1.26 -4.07 119.74 115.14 3k7d s LYS 671 Ca 0.00 -1.38 -0.25 0.00 -1.00 0.00 0.00 55.97 53.35 3k7d s LYS 671 Cb 0.00 -1.92 -0.08 0.00 -2.06 0.00 0.00 37.83 33.77 3k7d s LYS 671 CO 0.00 0.44 1.41 -2.30 0.10 0.00 0.00 175.35 175.00 3k7d n PRO 672 N 0.68 2.13 0.00 1.78 -0.02 -1.26 -2.49 135.00 135.82 3k7d n PRO 672 Ca -0.16 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.23 3k7d n PRO 672 Cb 0.54 -2.60 0.68 0.00 -0.02 0.00 0.00 33.50 32.09 3k7d n PRO 672 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3k7d n ASN 673 N -0.31 0.87 -0.44 2.55 6.94 -0.02 -3.02 115.26 121.84 3k7d n ASN 673 Ca 0.06 -1.24 0.14 0.00 -0.02 0.00 0.00 54.58 53.53 3k7d n ASN 673 Cb 0.42 -0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.35 3k7d n ASN 673 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k7d n HIS 674 N -0.35 0.00 0.20 -2.53 1.44 -1.26 -4.01 115.22 108.71 3k7d n HIS 674 Ca 0.20 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.02 3k7d n HIS 674 Cb 0.26 -0.02 0.14 0.00 0.12 0.00 0.00 29.99 30.49 3k7d n HIS 674 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3k7d h LEU 675 N 2.15 0.00 -0.95 2.39 3.38 -1.91 -3.29 115.31 117.08 3k7d h LEU 675 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3k7d h LEU 675 Cb 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 3k7d h LEU 675 CO 0.00 0.06 0.48 0.78 0.09 0.00 0.00 178.44 179.85 3k7d h ASN 676 N 0.00 0.45 -0.64 -0.43 2.35 -1.82 0.21 115.58 115.70 3k7d h ASN 676 Ca -0.00 0.16 -0.36 0.00 -0.55 0.00 0.00 56.30 55.54 3k7d h ASN 676 Cb 1.05 0.11 -0.21 0.00 0.05 0.00 0.00 38.32 39.32 3k7d h ASN 676 CO 0.01 -0.00 0.17 -0.62 -1.65 0.00 0.00 177.43 175.34 3k7d n GLU 677 N -5.01 2.18 -4.33 0.81 -0.58 -1.24 -4.96 120.64 107.51 3k7d n GLU 677 Ca 0.25 -3.23 -0.26 0.00 -0.42 0.00 0.00 57.16 53.50 3k7d n GLU 677 Cb 0.74 -2.01 -0.09 0.00 -0.57 0.00 0.00 31.44 29.51 3k7d n GLU 677 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3k7d s ARG 678 N -3.36 1.99 0.09 3.49 1.81 0.73 -5.04 118.95 118.66 3k7d s ARG 678 Ca 0.51 -1.40 0.11 0.00 -1.72 0.00 0.00 55.73 53.23 3k7d s ARG 678 Cb 0.44 -2.07 -0.16 0.00 -0.45 0.00 0.00 34.95 32.71 3k7d s ARG 678 CO 0.03 0.40 1.08 1.05 -0.68 0.00 0.00 175.30 177.18 3k7d h GLU 679 N 2.65 0.00 0.00 3.54 4.11 -1.93 -3.49 114.58 119.46 3k7d h GLU 679 Ca -0.45 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.71 3k7d h GLU 679 Cb 1.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 3k7d h GLU 679 CO 0.55 0.68 -0.24 0.41 0.07 0.00 0.00 179.01 180.49 3k7d n GLY 680 N 1.39 3.60 0.13 1.06 0.00 -1.26 -5.06 105.19 105.05 3k7d n GLY 680 Ca -0.06 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3k7d n GLY 680 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k7d h ARG 681 N 0.00 0.00 -0.48 1.61 3.08 -1.97 -3.47 114.38 113.15 3k7d h ARG 681 Ca -0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3k7d h ARG 681 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3k7d h ARG 681 CO 0.23 0.00 -0.10 0.41 -1.07 0.00 0.00 179.97 179.44 3k7d n GLY 682 N 0.86 0.37 3.08 0.04 0.00 -1.26 -5.04 105.19 103.24 3k7d n GLY 682 Ca 0.04 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 3k7d n GLY 682 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k7d s PHE 683 N -2.20 0.94 -0.00 1.61 5.36 -1.26 -3.10 117.98 119.33 3k7d s PHE 683 Ca 0.00 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 3k7d s PHE 683 Cb 0.00 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 3k7d s PHE 683 CO 0.00 -0.00 -0.06 0.00 -1.46 0.00 0.00 175.22 173.69 3k7d s ALA 684 N -0.76 0.52 -0.19 11.12 0.00 0.35 -4.14 121.76 128.66 3k7d s ALA 684 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 3k7d s ALA 684 Cb -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3k7d s ALA 684 CO 0.01 0.12 0.04 0.08 0.00 0.00 0.00 175.76 176.00 3k7d s VAL 685 N -0.21 4.41 -0.20 0.00 1.01 0.14 -1.14 120.40 124.42 3k7d s VAL 685 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3k7d s VAL 685 Cb -0.03 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3k7d s VAL 685 CO -0.00 0.44 0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3k7d s VAL 686 N 0.68 4.69 -0.21 2.92 1.01 0.13 -0.60 120.40 129.02 3k7d s VAL 686 Ca 0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 3k7d s VAL 686 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3k7d s VAL 686 CO 0.02 0.43 0.50 -0.83 0.00 0.00 0.00 175.10 175.22 3k7d s GLY 687 N 0.63 2.05 0.22 4.51 0.00 0.64 -1.50 107.32 113.88 3k7d s GLY 687 Ca 0.03 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3k7d s GLY 687 CO 0.02 1.05 0.24 -1.72 0.00 0.00 0.00 173.10 172.68 3k7d n TYR 688 N 4.81 -1.98 -2.50 1.90 4.02 -0.23 -1.22 117.16 121.96 3k7d n TYR 688 Ca -0.05 -0.86 0.00 0.00 -0.01 0.00 0.00 57.90 56.98 3k7d n TYR 688 Cb 0.50 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3k7d n TYR 688 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k7d n GLY 689 N 2.34 2.21 0.30 2.72 0.00 -1.26 -0.57 105.19 110.92 3k7d n GLY 689 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3k7d n GLY 689 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k7d h LYS 690 N 0.00 0.45 -0.13 1.61 1.57 -1.91 0.77 116.57 118.93 3k7d h LYS 690 Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3k7d h LYS 690 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3k7d h LYS 690 CO 0.00 0.33 -0.12 1.25 -0.57 0.00 0.00 179.45 180.34 3k7d h LEU 691 N 0.46 0.33 -1.84 2.94 5.85 -1.80 0.15 115.31 121.41 3k7d h LEU 691 Ca 0.12 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3k7d h LEU 691 Cb -0.01 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3k7d h LEU 691 CO -0.02 0.74 -0.13 1.23 -0.34 0.00 0.00 178.44 179.91 3k7d h GLY 692 N -0.07 0.00 -2.34 3.75 0.00 -0.39 -2.89 103.07 101.13 3k7d h GLY 692 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3k7d h GLY 692 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 3k7d n GLY 693 N -0.98 2.80 3.63 4.60 0.00 0.22 -4.52 105.19 110.94 3k7d n GLY 693 Ca -0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3k7d n GLY 693 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k7d n TRP 694 N 0.97 -2.53 -1.73 1.61 7.02 -0.57 -4.49 117.44 117.71 3k7d n TRP 694 Ca 0.21 0.96 0.03 0.00 -1.02 0.00 0.00 57.50 57.69 3k7d n TRP 694 Cb 0.68 -4.80 0.04 0.00 -2.42 0.00 0.00 31.31 24.82 3k7d n TRP 694 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3k7d n GLU 695 N -4.69 0.39 -2.07 -0.99 2.13 0.43 -4.55 120.64 111.30 3k7d n GLU 695 Ca -0.08 -1.50 -0.38 0.00 0.66 0.00 0.00 57.16 55.86 3k7d n GLU 695 Cb 0.59 -0.80 0.01 0.00 0.27 0.00 0.00 31.44 31.51 3k7d n GLU 695 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3k7d s LEU 696 N -0.88 3.97 0.00 4.31 2.96 -1.23 -4.90 118.68 122.91 3k7d s LEU 696 Ca 0.10 2.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.56 3k7d s LEU 696 Cb 0.09 -4.23 0.04 0.00 0.50 0.00 0.00 46.19 42.60 3k7d s LEU 696 CO 0.01 -1.15 0.32 0.61 -1.32 0.00 0.00 176.35 174.82 3k7d n GLY 697 N 0.57 2.91 0.30 7.98 0.00 -1.26 -4.41 105.19 111.27 3k7d n GLY 697 Ca 0.08 -2.31 0.04 0.00 0.00 0.00 0.00 46.02 43.83 3k7d n GLY 697 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k7d h TYR 698 N 0.77 0.44 -0.08 1.61 0.05 -1.96 -3.03 116.97 114.77 3k7d h TYR 698 Ca -0.35 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.35 3k7d h TYR 698 Cb 1.24 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 38.73 3k7d h TYR 698 CO 0.00 0.29 -0.62 -1.13 -1.05 0.00 0.00 178.16 175.65 3k7d n SER 699 N -4.47 1.94 -4.77 3.88 3.41 -1.26 -5.07 113.62 107.28 3k7d n SER 699 Ca 0.02 -3.60 -0.39 0.00 -0.26 0.00 0.00 58.87 54.64 3k7d n SER 699 Cb 0.07 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3k7d n SER 699 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3k7d s SER 700 N -3.12 6.20 1.07 4.04 0.01 -1.15 -5.02 113.70 115.72 3k7d s SER 700 Ca 0.39 2.55 -0.12 0.00 1.31 0.00 0.00 55.95 60.08 3k7d s SER 700 Cb 0.38 -2.63 0.23 0.00 0.21 0.00 0.00 66.02 64.21 3k7d s SER 700 CO -0.07 -0.92 1.07 -1.81 0.41 0.00 0.00 173.24 171.92 3k7d s ASP 701 N -0.94 1.69 -0.20 2.44 1.01 -1.26 -4.76 116.67 114.65 3k7d s ASP 701 Ca 0.60 1.76 -0.04 0.00 0.71 0.00 0.00 52.55 55.58 3k7d s ASP 701 Cb -0.35 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 3k7d s ASP 701 CO 0.44 -3.80 -0.03 -0.76 0.21 0.00 0.00 175.17 171.24 3k7d s LEU 702 N -6.99 3.10 -0.42 1.23 1.43 -0.20 -4.78 118.68 112.06 3k7d s LEU 702 Ca 0.68 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 3k7d s LEU 702 Cb -0.24 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3k7d s LEU 702 CO 0.62 0.06 0.62 -1.81 0.23 0.00 0.00 176.35 176.07 3k7d s ASP 703 N 1.03 6.33 0.09 2.29 1.01 -1.26 -1.02 116.67 125.14 3k7d s ASP 703 Ca 0.01 -0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.09 3k7d s ASP 703 Cb -0.15 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 3k7d s ASP 703 CO 0.01 -0.71 -0.20 -0.76 0.21 0.00 0.00 175.17 173.72 3k7d s LEU 704 N 2.73 2.27 0.23 1.23 1.43 -0.71 -1.06 118.68 124.80 3k7d s LEU 704 Ca 0.22 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3k7d s LEU 704 Cb -0.14 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 3k7d s LEU 704 CO 0.18 0.06 0.08 0.27 0.23 0.00 0.00 176.35 177.16 3k7d s ILE 705 N -1.11 0.48 -0.04 -0.59 -4.36 -0.56 -4.03 121.20 111.00 3k7d s ILE 705 Ca 0.05 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3k7d s ILE 705 Cb -0.10 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.13 3k7d s ILE 705 CO 0.03 -0.11 -0.10 -0.36 0.24 0.00 0.00 174.94 174.65 3k7d s PHE 706 N -3.81 1.12 0.14 1.37 0.08 -1.26 -0.70 117.98 114.93 3k7d s PHE 706 Ca 0.35 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 57.14 3k7d s PHE 706 Cb 0.07 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 3k7d s PHE 706 CO 0.11 -0.17 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.37 3k7d s LEU 707 N 0.44 2.40 0.21 -0.37 1.43 -0.29 -2.16 118.68 120.34 3k7d s LEU 707 Ca -0.08 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 3k7d s LEU 707 Cb -0.12 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 3k7d s LEU 707 CO 0.02 -0.04 0.03 -1.38 0.23 0.00 0.00 176.35 175.20 3k7d s HIS 708 N -1.86 1.38 -0.36 0.29 -3.43 -0.34 -0.50 115.29 110.47 3k7d s HIS 708 Ca 0.12 -1.04 0.06 0.00 -0.80 0.00 0.00 55.06 53.40 3k7d s HIS 708 Cb -0.07 -0.79 0.44 0.00 -1.43 0.00 0.00 32.58 30.74 3k7d s HIS 708 CO 0.05 -0.21 1.19 -0.40 -2.00 0.00 0.00 174.74 173.37 3k7d n ASP 709 N -0.34 4.94 -4.67 7.38 5.68 -1.18 -1.56 116.55 126.79 3k7d n ASP 709 Ca -0.04 -3.74 -0.41 0.00 -0.50 0.00 0.00 54.79 50.10 3k7d n ASP 709 Cb 0.64 -0.40 -0.05 0.00 -1.14 0.00 0.00 41.12 40.17 3k7d n ASP 709 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k7d n PRO 711 N 5.05 0.53 -0.25 0.00 -0.02 -1.26 -4.86 135.00 134.19 3k7d n PRO 711 Ca 0.02 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3k7d n PRO 711 Cb 0.49 -1.68 0.42 0.00 -0.02 0.00 0.00 33.50 32.71 3k7d n PRO 711 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3k7d h MET 712 N 0.31 0.59 -0.26 -0.52 2.86 -2.03 -3.18 114.93 112.70 3k7d h MET 712 Ca -0.45 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3k7d h MET 712 Cb 1.40 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3k7d h MET 712 CO 0.48 0.39 0.00 -0.25 1.06 0.00 0.00 176.91 178.59 3k7d n ASP 713 N -4.55 3.25 -4.77 1.22 8.00 -1.26 -4.75 116.55 113.69 3k7d n ASP 713 Ca 0.17 -1.97 -0.37 0.00 0.71 0.00 0.00 54.79 53.33 3k7d n ASP 713 Cb 0.51 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3k7d n ASP 713 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k7d s ALA 714 N -1.60 2.91 0.12 2.24 0.00 -1.20 -4.93 121.76 119.29 3k7d s ALA 714 Ca 0.34 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.33 3k7d s ALA 714 Cb 0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3k7d s ALA 714 CO 0.30 -0.79 -0.12 -1.64 0.00 0.00 0.00 175.76 173.51 3k7d s MET 715 N -2.81 0.97 0.50 0.00 -1.94 -1.26 -0.63 119.30 114.13 3k7d s MET 715 Ca 0.66 -1.23 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3k7d s MET 715 Cb -0.30 -0.75 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 3k7d s MET 715 CO 0.36 0.13 0.82 0.95 -0.01 0.00 0.00 175.02 177.27 3k7d s THR 716 N -2.34 4.88 -0.47 2.05 -4.23 0.71 -0.84 115.64 115.39 3k7d s THR 716 Ca 0.08 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3k7d s THR 716 Cb -0.04 -3.87 0.32 0.00 1.34 0.00 0.00 72.50 70.26 3k7d s THR 716 CO 0.02 -0.90 1.25 -0.90 -0.54 0.00 0.00 174.62 173.56 3k7d n ASP 717 N -2.33 3.01 -0.55 3.99 5.68 -1.04 -4.42 116.55 120.89 3k7d n ASP 717 Ca 0.01 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 3k7d n ASP 717 Cb 0.55 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3k7d n ASP 717 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k7d n GLY 718 N -0.15 1.66 0.13 6.12 0.00 0.19 -4.81 105.19 108.33 3k7d n GLY 718 Ca 0.13 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 3k7d n GLY 718 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k7d h GLU 719 N 0.00 0.32 -4.61 1.61 5.08 -1.71 -3.39 114.58 111.89 3k7d h GLU 719 Ca 0.00 -0.55 -0.71 0.00 -1.00 0.00 0.00 59.36 57.10 3k7d h GLU 719 Cb 0.00 0.20 -0.20 0.00 0.50 0.00 0.00 28.75 29.25 3k7d h GLU 719 CO 0.00 1.26 0.11 0.50 -1.00 0.00 0.00 179.01 179.88 3k7d s ARG 720 N -2.50 3.08 -0.34 2.33 3.52 -1.14 -5.04 118.95 118.86 3k7d s ARG 720 Ca -0.16 -1.43 -0.29 0.00 -0.13 0.00 0.00 55.73 53.72 3k7d s ARG 720 Cb 0.04 -4.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.14 3k7d s ARG 720 CO 0.82 -1.52 1.23 -2.00 -0.81 0.00 0.00 175.30 173.02 3k7d s GLU 721 N 2.47 3.90 0.20 5.12 2.12 -1.26 -4.42 118.70 126.83 3k7d s GLU 721 Ca 0.12 1.08 0.06 0.00 0.36 0.00 0.00 54.97 56.58 3k7d s GLU 721 Cb -0.23 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 3k7d s GLU 721 CO 0.05 -1.14 -0.10 0.96 -0.54 0.00 0.00 175.26 174.49 3k7d s ILE 722 N 4.29 1.43 0.28 -3.70 -4.36 -1.26 -4.90 121.20 112.98 3k7d s ILE 722 Ca 0.53 -2.12 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 3k7d s ILE 722 Cb -0.14 -2.09 -0.12 0.00 1.25 0.00 0.00 42.46 41.36 3k7d s ILE 722 CO 0.23 -0.56 1.58 -0.67 0.24 0.00 0.00 174.94 175.76 3k7d n ASP 723 N -0.36 3.70 -0.15 4.36 2.03 -1.26 -0.21 116.55 124.66 3k7d n ASP 723 Ca -0.08 1.14 -0.03 0.00 0.52 0.00 0.00 54.79 56.34 3k7d n ASP 723 Cb 0.61 -1.56 0.04 0.00 -0.72 0.00 0.00 41.12 39.49 3k7d n ASP 723 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3k7d h GLY 724 N 4.90 0.42 1.08 0.27 0.00 -1.17 -0.94 103.07 107.63 3k7d h GLY 724 Ca -0.46 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3k7d h GLY 724 CO 0.80 -0.16 0.55 3.21 0.00 0.00 0.00 176.54 180.94 3k7d h ARG 725 N 0.06 1.01 -0.57 4.80 3.08 -1.83 -2.12 114.38 118.80 3k7d h ARG 725 Ca 0.23 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3k7d h ARG 725 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3k7d h ARG 725 CO -0.44 0.67 0.00 0.37 -1.07 0.00 0.00 179.97 179.50 3k7d h GLN 726 N 1.04 0.99 -0.45 0.04 4.15 -1.70 -1.25 115.11 117.94 3k7d h GLN 726 Ca 0.33 -0.30 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3k7d h GLN 726 Cb 0.01 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.53 3k7d h GLN 726 CO -0.09 0.97 -0.01 0.35 -1.93 0.00 0.00 178.83 178.12 3k7d h PHE 727 N 0.91 -0.05 0.00 3.99 3.04 -0.54 0.51 116.94 124.79 3k7d h PHE 727 Ca 0.17 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.06 3k7d h PHE 727 Cb 0.53 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 3k7d h PHE 727 CO 0.03 -0.11 -0.42 1.88 -2.02 0.00 0.00 178.31 177.68 3k7d h TYR 728 N 0.10 0.00 0.27 0.41 0.05 -1.04 0.00 116.97 116.76 3k7d h TYR 728 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3k7d h TYR 728 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3k7d h TYR 728 CO -0.30 0.42 -0.13 1.25 -1.05 0.00 0.00 178.16 178.35 3k7d h LEU 729 N 0.00 -0.30 -1.18 3.88 5.85 -0.62 -1.40 115.31 121.53 3k7d h LEU 729 Ca -0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3k7d h LEU 729 Cb 0.94 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3k7d h LEU 729 CO 0.05 -0.08 0.36 0.03 -0.34 0.00 0.00 178.44 178.47 3k7d h ARG 730 N -0.52 0.93 -0.18 1.25 3.08 -0.54 -0.52 114.38 117.88 3k7d h ARG 730 Ca -0.04 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3k7d h ARG 730 Cb 0.39 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 3k7d h ARG 730 CO 0.06 0.69 -0.16 1.25 -1.07 0.00 0.00 179.97 180.73 3k7d h LEU 731 N 0.94 -0.52 -1.04 3.04 5.85 -0.92 -0.17 115.31 122.48 3k7d h LEU 731 Ca 0.24 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 3k7d h LEU 731 Cb 0.03 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3k7d h LEU 731 CO -0.04 -0.21 -0.16 0.00 -0.34 0.00 0.00 178.44 177.69 3k7d h ALA 732 N 0.91 1.19 -0.35 1.25 0.00 -0.51 -0.21 119.26 121.54 3k7d h ALA 732 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3k7d h ALA 732 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3k7d h ALA 732 CO -0.29 0.52 0.15 1.96 0.00 0.00 0.00 179.25 181.59 3k7d h GLN 733 N 0.46 0.52 -0.60 0.00 4.20 -0.60 -1.44 115.11 117.65 3k7d h GLN 733 Ca 0.08 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3k7d h GLN 733 Cb 0.55 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3k7d h GLN 733 CO 0.04 0.50 0.18 -0.09 -0.67 0.00 0.00 178.83 178.79 3k7d h ARG 734 N 0.42 0.95 -0.12 1.46 9.65 -0.69 -0.21 114.38 125.84 3k7d h ARG 734 Ca 0.12 -0.21 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 3k7d h ARG 734 Cb 0.17 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3k7d h ARG 734 CO -0.01 0.85 -0.20 0.82 2.80 0.00 0.00 179.97 184.22 3k7d h ILE 735 N 0.86 0.49 -0.69 1.20 2.04 -0.74 0.93 117.51 121.60 3k7d h ILE 735 Ca 0.19 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.14 3k7d h ILE 735 Cb 0.30 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3k7d h ILE 735 CO -0.00 0.00 0.34 0.24 0.00 0.00 0.00 178.15 178.73 3k7d h MET 736 N -0.26 0.57 -0.78 2.37 2.86 -0.85 -0.90 114.93 117.93 3k7d h MET 736 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3k7d h MET 736 Cb 0.40 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3k7d h MET 736 CO -0.27 0.37 0.49 1.25 1.06 0.00 0.00 176.91 179.81 3k7d h HIS 737 N 0.58 1.02 -0.43 -0.22 -0.00 -0.22 -2.28 115.15 113.59 3k7d h HIS 737 Ca 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.64 3k7d h HIS 737 Cb 0.35 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3k7d h HIS 737 CO -0.11 0.67 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.39 3k7d h LEU 738 N 1.07 0.77 -1.08 0.26 3.38 0.43 -1.10 115.31 119.03 3k7d h LEU 738 Ca 0.28 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3k7d h LEU 738 Cb -0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3k7d h LEU 738 CO -0.06 0.90 0.62 -0.26 0.09 0.00 0.00 178.44 179.74 3k7d h PHE 739 N 0.61 1.15 0.00 1.13 0.04 -1.10 -3.34 116.94 115.43 3k7d h PHE 739 Ca 0.12 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.69 3k7d h PHE 739 Cb 0.53 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3k7d h PHE 739 CO 0.04 0.67 -1.88 -1.13 -0.60 0.00 0.00 178.31 175.41 3k7d n SER 740 N -4.44 0.44 -4.56 2.17 3.41 -0.87 -2.07 113.62 107.70 3k7d n SER 740 Ca 0.13 0.20 -0.49 0.00 -0.26 0.00 0.00 58.87 58.44 3k7d n SER 740 Cb 0.10 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 3k7d n SER 740 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3k7d n THR 741 N -2.77 1.06 -3.28 6.66 -1.04 -0.44 -4.76 114.28 109.71 3k7d n THR 741 Ca -0.18 -0.26 -0.45 0.00 -2.04 0.00 0.00 64.05 61.12 3k7d n THR 741 Cb 0.94 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.66 3k7d n THR 741 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3k7d s ARG 742 N -0.54 3.02 -0.57 -2.82 3.52 -1.26 -4.39 118.95 115.90 3k7d s ARG 742 Ca 0.72 -1.36 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3k7d s ARG 742 Cb -0.87 -4.19 0.29 0.00 -1.56 0.00 0.00 34.95 28.62 3k7d s ARG 742 CO 0.54 -1.22 2.18 0.25 -0.81 0.00 0.00 175.30 176.23 3k7d n THR 743 N 5.35 3.35 0.00 4.11 -2.24 -0.87 -4.88 114.28 119.10 3k7d n THR 743 Ca -0.11 -2.90 0.00 0.00 -2.27 0.00 0.00 64.05 58.76 3k7d n THR 743 Cb 0.43 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 3k7d n THR 743 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3k7d n SER 744 N -0.15 0.00 -1.74 3.42 2.88 -1.26 -4.36 113.62 112.40 3k7d n SER 744 Ca 0.50 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.92 3k7d n SER 744 Cb 0.53 -0.26 0.15 0.00 -0.75 0.00 0.00 64.21 63.87 3k7d n SER 744 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3k7d n SER 745 N 0.04 3.63 0.00 -3.46 7.64 -1.26 -5.05 113.62 115.16 3k7d n SER 745 Ca 0.00 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.90 3k7d n SER 745 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3k7d n SER 745 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k7d n GLY 746 N -0.40 -1.32 3.75 0.23 0.00 -1.26 -4.91 105.19 101.28 3k7d n GLY 746 Ca 0.36 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 3k7d n GLY 746 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k7d s ILE 747 N 0.00 3.62 -0.03 -0.61 -4.36 -1.26 -2.05 121.20 116.52 3k7d s ILE 747 Ca 0.00 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 3k7d s ILE 747 Cb 0.00 -3.09 -0.09 0.00 1.25 0.00 0.00 42.46 40.53 3k7d s ILE 747 CO 0.00 -0.28 0.69 0.25 0.24 0.00 0.00 174.94 175.84 3k7d h LEU 748 N 1.58 -0.50 -7.61 0.37 5.85 -1.62 -3.47 115.31 109.91 3k7d h LEU 748 Ca -0.45 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.15 3k7d h LEU 748 Cb 1.25 0.13 -0.21 0.00 0.37 0.00 0.00 40.66 42.20 3k7d h LEU 748 CO 0.61 -0.09 -0.38 -0.31 -0.34 0.00 0.00 178.44 177.93 3k7d s TYR 749 N -3.48 -0.10 -0.01 1.25 2.02 -1.10 -5.04 117.35 110.89 3k7d s TYR 749 Ca -0.09 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 3k7d s TYR 749 Cb 0.01 0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.55 3k7d s TYR 749 CO 0.26 -0.32 1.34 -1.21 -1.57 0.00 0.00 175.55 174.05 3k7d s GLU 750 N -1.17 4.31 -0.14 -0.62 0.41 -1.26 -4.29 118.70 115.93 3k7d s GLU 750 Ca -0.12 1.88 -0.01 0.00 -0.41 0.00 0.00 54.97 56.30 3k7d s GLU 750 Cb -0.06 -3.54 -0.02 0.00 -1.78 0.00 0.00 34.13 28.73 3k7d s GLU 750 CO 0.03 -0.52 -0.10 0.08 -0.49 0.00 0.00 175.26 174.26 3k7d s VAL 751 N 2.23 3.32 -0.36 2.63 1.01 -1.26 -1.03 120.40 126.93 3k7d s VAL 751 Ca 0.61 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 3k7d s VAL 751 Cb -0.30 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.72 3k7d s VAL 751 CO 0.26 0.51 0.14 -0.62 0.00 0.00 0.00 175.10 175.38 3k7d s ASP 752 N 0.45 5.31 -0.32 3.32 -1.08 -0.19 -4.95 116.67 119.21 3k7d s ASP 752 Ca -0.08 -1.40 0.10 0.00 -0.52 0.00 0.00 52.55 50.65 3k7d s ASP 752 Cb -0.15 -1.86 0.69 0.00 -1.46 0.00 0.00 42.92 40.14 3k7d s ASP 752 CO 0.04 -0.40 1.74 0.00 0.52 0.00 0.00 175.17 177.07 3k7d n ALA 753 N 4.77 4.47 0.39 3.66 0.00 -1.26 -1.74 120.51 130.79 3k7d n ALA 753 Ca -0.10 -2.48 0.13 0.00 0.00 0.00 0.00 53.44 50.99 3k7d n ALA 753 Cb 0.43 -1.15 0.52 0.00 0.00 0.00 0.00 19.45 19.26 3k7d n ALA 753 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k7d h ARG 754 N 2.26 0.00 -0.01 0.00 3.08 -1.93 -3.07 114.38 114.72 3k7d h ARG 754 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3k7d h ARG 754 Cb 2.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.27 3k7d h ARG 754 CO 0.68 0.00 -0.03 1.28 -1.07 0.00 0.00 179.97 180.82 3k7d n LEU 755 N -2.48 1.07 -4.55 3.04 4.77 -1.26 -4.03 117.00 113.56 3k7d n LEU 755 Ca 0.02 -0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 3k7d n LEU 755 Cb 0.28 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.51 3k7d n LEU 755 CO 0.23 0.18 0.40 -2.11 -1.33 0.00 0.00 177.39 174.76 3k7d n ARG 756 N -0.23 -0.84 -1.66 3.23 1.85 -1.16 -4.79 116.66 113.06 3k7d n ARG 756 Ca 0.19 -0.19 -0.51 0.00 -1.00 0.00 0.00 57.85 56.34 3k7d n ARG 756 Cb 0.30 -2.18 -0.05 0.00 -1.05 0.00 0.00 32.46 29.47 3k7d n ARG 756 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3k7d n PRO 757 N -3.66 1.67 -1.04 2.89 -0.02 -1.26 -0.81 135.00 132.76 3k7d n PRO 757 Ca 0.09 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 3k7d n PRO 757 Cb 0.53 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3k7d n PRO 757 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3k7d n SER 758 N 4.36 -4.13 0.00 2.55 7.64 -1.26 -4.11 113.62 118.66 3k7d n SER 758 Ca 0.21 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3k7d n SER 758 Cb 0.23 -1.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 3k7d n SER 758 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k7d n GLY 759 N -1.54 1.01 0.34 0.23 0.00 0.01 -2.65 105.19 102.60 3k7d n GLY 759 Ca -0.01 -0.65 0.18 0.00 0.00 0.00 0.00 46.02 45.53 3k7d n GLY 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k7d h ALA 760 N -0.97 1.48 0.00 4.61 0.00 -1.85 0.12 119.26 122.65 3k7d h ALA 760 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k7d h ALA 760 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k7d h ALA 760 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3k7d n ALA 761 N -2.09 2.26 -1.93 0.00 0.00 -1.08 -4.90 120.51 112.77 3k7d n ALA 761 Ca -0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 3k7d n ALA 761 Cb 0.33 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.35 3k7d n ALA 761 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k7d s GLY 762 N -3.46 1.63 0.53 0.00 0.00 0.41 -5.03 107.32 101.41 3k7d s GLY 762 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 44.72 44.31 3k7d s GLY 762 CO 0.57 0.00 0.83 -0.13 0.00 0.00 0.00 173.10 174.38 3k7d n MET 763 N -2.84 0.89 0.14 2.90 0.00 -1.26 -4.89 117.12 112.07 3k7d n MET 763 Ca 0.06 0.34 0.13 0.00 0.00 0.00 0.00 57.70 58.23 3k7d n MET 763 Cb 0.56 -1.97 0.44 0.00 0.00 0.00 0.00 33.22 32.25 3k7d n MET 763 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3k7d h LEU 764 N 0.72 0.00 -8.28 -0.89 5.85 -1.95 -3.44 115.31 107.32 3k7d h LEU 764 Ca -0.46 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 57.94 3k7d h LEU 764 Cb 1.37 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.19 3k7d h LEU 764 CO 0.51 0.00 -0.75 0.54 -0.34 0.00 0.00 178.44 178.41 3k7d s VAL 765 N -3.23 0.75 0.04 1.05 0.11 -1.26 -4.24 120.40 113.62 3k7d s VAL 765 Ca 0.07 -1.23 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 3k7d s VAL 765 Cb 0.10 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 3k7d s VAL 765 CO 0.53 -0.37 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.91 3k7d s THR 766 N -1.54 0.96 0.71 5.04 2.01 -0.92 -5.01 115.64 116.89 3k7d s THR 766 Ca -0.05 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 3k7d s THR 766 Cb -0.09 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.54 3k7d s THR 766 CO 0.01 -0.11 1.12 -0.94 -0.69 0.00 0.00 174.62 174.00 3k7d s SER 767 N -1.29 4.76 0.35 3.53 1.04 -1.26 -1.20 113.70 119.64 3k7d s SER 767 Ca -0.01 2.01 0.13 0.00 0.48 0.00 0.00 55.95 58.55 3k7d s SER 767 Cb -0.08 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 64.15 3k7d s SER 767 CO 0.01 -1.87 1.78 0.00 0.98 0.00 0.00 173.24 174.15 3k7d h ALA 768 N -0.37 1.28 -0.15 5.32 0.00 -1.67 0.11 119.26 123.78 3k7d h ALA 768 Ca -0.46 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 53.98 3k7d h ALA 768 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k7d h ALA 768 CO 0.52 0.52 -0.26 0.93 0.00 0.00 0.00 179.25 180.96 3k7d h GLU 769 N 0.00 0.44 -0.85 0.00 4.39 -1.91 0.86 114.58 117.51 3k7d h GLU 769 Ca -0.00 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 3k7d h GLU 769 Cb 0.76 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 3k7d h GLU 769 CO 0.05 0.87 0.42 0.00 -1.16 0.00 0.00 179.01 179.20 3k7d h ALA 770 N 0.56 1.14 -0.43 3.43 0.00 -1.90 -1.06 119.26 120.99 3k7d h ALA 770 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3k7d h ALA 770 Cb 0.85 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3k7d h ALA 770 CO 0.06 0.66 0.23 0.35 0.00 0.00 0.00 179.25 180.55 3k7d h PHE 771 N 1.21 0.42 -0.11 0.00 3.57 -0.63 -0.54 116.94 120.86 3k7d h PHE 771 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3k7d h PHE 771 Cb 0.09 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3k7d h PHE 771 CO 0.01 0.22 0.06 0.00 -2.23 0.00 0.00 178.31 176.38 3k7d h ALA 772 N 1.22 0.14 -0.70 2.41 0.00 -0.32 -2.16 119.26 119.86 3k7d h ALA 772 Ca 0.18 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3k7d h ALA 772 Cb 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3k7d h ALA 772 CO -0.12 -0.32 0.38 -0.44 0.00 0.00 0.00 179.25 178.76 3k7d h ASP 773 N 0.08 0.55 -0.30 0.00 3.32 -0.92 -2.09 116.42 117.07 3k7d h ASP 773 Ca 0.04 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3k7d h ASP 773 Cb 0.08 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3k7d h ASP 773 CO -0.01 0.34 0.12 0.22 -1.72 0.00 0.00 179.24 178.19 3k7d h TYR 774 N 0.69 0.46 0.00 4.55 5.03 -0.96 0.18 116.97 126.92 3k7d h TYR 774 Ca 0.32 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.55 3k7d h TYR 774 Cb 0.24 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 3k7d h TYR 774 CO -0.08 0.45 -0.20 1.96 -1.32 0.00 0.00 178.16 178.97 3k7d h GLN 775 N 0.33 0.00 0.12 1.82 1.08 -1.01 0.47 115.11 117.92 3k7d h GLN 775 Ca 0.10 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.03 3k7d h GLN 775 Cb 0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3k7d h GLN 775 CO -0.01 0.20 -1.35 0.87 -0.95 0.00 0.00 178.83 177.59 3k7d h LYS 776 N 0.00 0.25 0.04 1.46 1.57 -0.92 -3.35 116.57 115.62 3k7d h LYS 776 Ca -0.00 -0.43 -0.31 0.00 -1.87 0.00 0.00 60.65 58.04 3k7d h LYS 776 Cb 0.40 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 3k7d h LYS 776 CO 0.03 1.20 -1.81 0.09 -0.57 0.00 0.00 179.45 178.40 3k7d n ASN 777 N -3.94 1.21 -0.01 0.86 5.03 0.59 -4.75 115.26 114.25 3k7d n ASN 777 Ca -0.24 0.35 -0.02 0.00 0.87 0.00 0.00 54.58 55.54 3k7d n ASN 777 Cb 0.89 -0.27 -0.01 0.00 -1.02 0.00 0.00 39.78 39.37 3k7d n ASN 777 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3k7d n GLU 778 N -3.16 0.40 -1.68 3.52 1.02 0.15 -5.05 120.64 115.83 3k7d n GLU 778 Ca -0.21 0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.50 3k7d n GLU 778 Cb 1.05 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3k7d n GLU 778 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k7d n ALA 779 N -2.53 1.16 -1.75 0.62 0.00 -0.19 -5.00 120.51 112.82 3k7d n ALA 779 Ca -0.05 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 3k7d n ALA 779 Cb 0.55 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.82 3k7d n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k7d s TRP 780 N -0.58 3.07 0.25 0.00 0.52 -1.26 -4.89 118.94 116.05 3k7d s TRP 780 Ca 0.62 1.04 -0.05 0.00 0.02 0.00 0.00 56.10 57.73 3k7d s TRP 780 Cb -0.61 -3.15 0.30 0.00 -1.15 0.00 0.00 33.47 28.85 3k7d s TRP 780 CO 0.56 -1.51 1.91 1.15 0.02 0.00 0.00 176.95 179.08 3k7d h THR 781 N -0.89 1.20 0.00 2.01 2.02 -1.99 0.12 112.91 115.38 3k7d h THR 781 Ca -0.46 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3k7d h THR 781 Cb 1.27 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3k7d h THR 781 CO 0.62 0.23 -0.08 4.11 0.37 0.00 0.00 175.52 180.78 3k7d h TRP 782 N 1.28 0.00 -0.12 3.16 5.08 -1.94 0.31 115.95 123.72 3k7d h TRP 782 Ca 0.38 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 60.14 3k7d h TRP 782 Cb -0.06 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.11 3k7d h TRP 782 CO -0.00 0.08 -0.78 0.93 -1.28 0.00 0.00 178.44 177.39 3k7d h GLU 783 N 0.00 0.67 -0.51 0.12 5.08 -1.18 -2.52 114.58 116.24 3k7d h GLU 783 Ca -0.00 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 3k7d h GLU 783 Cb 0.16 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3k7d h GLU 783 CO 0.01 1.17 0.19 0.45 -1.00 0.00 0.00 179.01 179.83 3k7d h HIS 784 N 0.45 0.73 -0.79 4.33 3.86 0.37 -1.70 115.15 122.40 3k7d h HIS 784 Ca -0.05 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3k7d h HIS 784 Cb 1.39 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 3k7d h HIS 784 CO 0.07 0.58 0.38 1.96 0.86 0.00 0.00 177.93 181.78 3k7d h GLN 785 N 0.72 1.14 -0.14 2.45 4.20 -0.35 -2.53 115.11 120.60 3k7d h GLN 785 Ca 0.17 -0.16 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 3k7d h GLN 785 Cb 0.16 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3k7d h GLN 785 CO -0.01 0.88 -0.74 0.00 -0.67 0.00 0.00 178.83 178.28 3k7d h ALA 786 N 1.29 0.42 0.00 3.87 0.00 -1.04 -2.86 119.26 120.93 3k7d h ALA 786 Ca 0.27 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3k7d h ALA 786 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k7d h ALA 786 CO -0.03 0.71 -0.03 1.25 0.00 0.00 0.00 179.25 181.14 3k7d h LEU 787 N 0.47 0.00 -0.90 0.00 5.85 -0.94 -1.74 115.31 118.06 3k7d h LEU 787 Ca -0.04 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3k7d h LEU 787 Cb 1.35 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 3k7d h LEU 787 CO 0.15 0.03 0.55 0.58 -0.34 0.00 0.00 178.44 179.40 3k7d h VAL 788 N 0.00 0.97 0.00 1.05 2.07 -1.22 -1.51 116.25 117.61 3k7d h VAL 788 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3k7d h VAL 788 Cb 0.08 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3k7d h VAL 788 CO 0.00 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.31 3k7d n ARG 789 N -4.65 0.12 -2.92 1.57 1.74 -0.66 -4.53 116.66 107.34 3k7d n ARG 789 Ca 0.15 0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 57.06 3k7d n ARG 789 Cb 0.26 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 3k7d n ARG 789 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k7d s ALA 790 N -3.09 3.27 0.07 7.54 0.00 -0.57 -3.73 121.76 125.25 3k7d s ALA 790 Ca 0.10 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 3k7d s ALA 790 Cb 0.13 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.27 3k7d s ALA 790 CO 0.48 0.23 0.46 -0.98 0.00 0.00 0.00 175.76 175.96 3k7d s ARG 791 N -2.20 1.01 -0.01 0.00 1.70 -0.36 -4.89 118.95 114.21 3k7d s ARG 791 Ca 0.49 -0.39 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 3k7d s ARG 791 Cb -0.16 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 3k7d s ARG 791 CO 0.21 -0.37 1.57 0.08 -1.08 0.00 0.00 175.30 175.71 3k7d s VAL 792 N -2.80 3.50 -0.30 4.99 1.01 -1.26 -0.26 120.40 125.27 3k7d s VAL 792 Ca -0.03 0.79 0.12 0.00 0.00 0.00 0.00 61.98 62.85 3k7d s VAL 792 Cb -0.00 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 3k7d s VAL 792 CO -0.05 -0.03 0.39 1.33 0.00 0.00 0.00 175.10 176.74 3k7d n VAL 793 N 5.05 0.00 -3.77 2.92 0.24 0.23 -4.87 118.33 118.13 3k7d n VAL 793 Ca 0.16 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 3k7d n VAL 793 Cb 0.42 0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 33.30 3k7d n VAL 793 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3k7d s TYR 794 N -2.46 -0.25 0.00 6.34 5.04 -0.86 -4.87 117.35 120.30 3k7d s TYR 794 Ca 0.00 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 3k7d s TYR 794 Cb 0.08 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.43 3k7d s TYR 794 CO 0.49 -0.16 0.00 0.41 -1.34 0.00 0.00 175.55 174.95 3k7d n GLY 795 N 3.64 3.33 3.44 8.97 0.00 -1.26 0.27 105.19 123.58 3k7d n GLY 795 Ca -0.20 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3k7d n GLY 795 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k7d s ASP 796 N 0.00 0.38 0.16 1.61 1.47 -1.26 -4.74 116.67 114.30 3k7d s ASP 796 Ca 0.00 1.36 -0.08 0.00 1.18 0.00 0.00 52.55 55.02 3k7d s ASP 796 Cb 0.00 -2.10 0.02 0.00 -0.34 0.00 0.00 42.92 40.50 3k7d s ASP 796 CO 0.00 -4.55 1.48 -0.65 0.68 0.00 0.00 175.17 172.13 3k7d h PRO 797 N -2.86 0.76 0.15 2.11 0.11 -1.98 -1.56 132.00 128.74 3k7d h PRO 797 Ca -0.60 -0.45 0.01 0.00 0.11 0.00 0.00 66.00 65.08 3k7d h PRO 797 Cb 1.34 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 3k7d h PRO 797 CO 0.47 1.08 -0.26 1.96 -0.21 0.00 0.00 178.00 181.03 3k7d h GLN 798 N 0.60 -0.47 -0.20 1.05 7.50 -1.99 -0.10 115.11 121.50 3k7d h GLN 798 Ca 0.03 0.03 -0.16 0.00 0.50 0.00 0.00 58.65 59.05 3k7d h GLN 798 Cb 1.07 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.70 3k7d h GLN 798 CO 0.11 -0.32 -0.54 1.25 -1.50 0.00 0.00 178.83 177.83 3k7d h LEU 799 N -0.49 0.67 -0.64 1.46 5.85 -1.93 -0.39 115.31 119.83 3k7d h LEU 799 Ca 0.02 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3k7d h LEU 799 Cb 0.50 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3k7d h LEU 799 CO -0.13 1.08 0.35 0.74 -0.34 0.00 0.00 178.44 180.14 3k7d h THR 800 N 0.46 0.96 -0.39 1.05 2.02 -1.18 0.18 112.91 116.01 3k7d h THR 800 Ca 0.01 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 3k7d h THR 800 Cb 1.09 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3k7d h THR 800 CO 0.11 0.12 -0.32 0.00 0.37 0.00 0.00 175.52 175.80 3k7d h ALA 801 N 1.34 0.70 0.12 6.16 0.00 -0.65 -0.03 119.26 126.90 3k7d h ALA 801 Ca 0.29 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k7d h ALA 801 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k7d h ALA 801 CO -0.18 0.67 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 3k7d h HIS 802 N 0.73 -0.15 -0.28 0.00 6.17 -0.56 -1.32 115.15 119.74 3k7d h HIS 802 Ca 0.08 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.19 3k7d h HIS 802 Cb 0.88 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.83 3k7d h HIS 802 CO 0.05 -0.09 0.08 0.35 0.71 0.00 0.00 177.93 179.03 3k7d h PHE 803 N -0.17 0.14 -0.78 5.26 3.57 -0.45 -1.43 116.94 123.08 3k7d h PHE 803 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3k7d h PHE 803 Cb 0.13 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3k7d h PHE 803 CO -0.07 0.05 0.51 -0.44 -2.23 0.00 0.00 178.31 176.13 3k7d h ASP 804 N 0.19 0.73 -0.28 0.41 3.32 -0.87 -0.22 116.42 119.71 3k7d h ASP 804 Ca 0.13 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3k7d h ASP 804 Cb 0.11 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3k7d h ASP 804 CO -0.15 0.47 -0.57 0.00 -1.72 0.00 0.00 179.24 177.27 3k7d h ALA 805 N 1.58 0.45 0.21 3.45 0.00 -0.57 -2.03 119.26 122.34 3k7d h ALA 805 Ca 0.33 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3k7d h ALA 805 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k7d h ALA 805 CO -0.12 0.68 -0.10 0.28 0.00 0.00 0.00 179.25 180.00 3k7d h VAL 806 N 0.67 0.82 -0.76 0.00 2.07 -0.58 0.11 116.25 118.57 3k7d h VAL 806 Ca 0.01 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3k7d h VAL 806 Cb 1.18 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3k7d h VAL 806 CO 0.13 0.02 0.41 -0.09 0.02 0.00 0.00 177.57 178.05 3k7d h ARG 807 N -0.32 1.07 -0.72 1.57 2.43 -1.09 -0.70 114.38 116.62 3k7d h ARG 807 Ca -0.03 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3k7d h ARG 807 Cb 0.25 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3k7d h ARG 807 CO 0.05 0.80 0.46 -0.09 -1.51 0.00 0.00 179.97 179.68 3k7d h ARG 808 N 1.06 0.90 -0.55 0.20 2.43 -1.21 0.19 114.38 117.40 3k7d h ARG 808 Ca 0.27 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 3k7d h ARG 808 Cb 0.05 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3k7d h ARG 808 CO -0.04 0.59 0.14 0.93 -1.51 0.00 0.00 179.97 180.09 3k7d h GLU 809 N 0.92 0.28 -0.13 0.20 5.08 0.05 -1.92 114.58 119.07 3k7d h GLU 809 Ca 0.28 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3k7d h GLU 809 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3k7d h GLU 809 CO -0.08 0.19 0.00 0.82 -1.00 0.00 0.00 179.01 178.93 3k7d h ILE 810 N 0.29 1.25 -0.87 3.13 1.08 -0.32 -2.99 117.51 119.08 3k7d h ILE 810 Ca 0.28 -0.81 0.09 0.00 -0.39 0.00 0.00 64.86 64.03 3k7d h ILE 810 Cb 0.37 1.54 -0.07 0.00 -3.07 0.00 0.00 36.82 35.59 3k7d h ILE 810 CO -0.33 0.24 0.52 0.24 -0.69 0.00 0.00 178.15 178.12 3k7d h MET 811 N -0.04 0.86 -0.40 2.37 2.86 -0.50 -2.83 114.93 117.26 3k7d h MET 811 Ca 0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3k7d h MET 811 Cb 0.36 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3k7d h MET 811 CO 0.01 0.57 0.00 0.25 1.06 0.00 0.00 176.91 178.80 3k7d n THR 812 N -4.68 0.53 -1.79 2.22 -2.24 -0.74 -4.41 114.28 103.18 3k7d n THR 812 Ca 0.14 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 3k7d n THR 812 Cb 0.26 0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 3k7d n THR 812 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k7d s LEU 813 N -1.05 4.21 0.24 3.22 1.43 -1.07 -4.08 118.68 121.59 3k7d s LEU 813 Ca 0.28 3.00 -0.30 0.00 -1.03 0.00 0.00 54.13 56.09 3k7d s LEU 813 Cb 0.15 -3.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3k7d s LEU 813 CO 0.20 -1.05 1.11 -2.16 0.23 0.00 0.00 176.35 174.68 3k7d s PRO 814 N -2.29 4.61 -0.01 1.29 0.04 -1.26 -4.63 135.00 132.75 3k7d s PRO 814 Ca 0.57 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.43 3k7d s PRO 814 Cb -0.45 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.87 3k7d s PRO 814 CO 0.60 0.14 -0.09 1.03 0.04 0.00 0.00 177.00 178.73 3k7d s ARG 815 N -1.04 0.82 0.10 4.56 0.52 -1.26 -5.11 118.95 117.53 3k7d s ARG 815 Ca 0.47 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.05 3k7d s ARG 815 Cb -0.31 -0.78 -0.10 0.00 0.52 0.00 0.00 34.95 34.28 3k7d s ARG 815 CO 0.39 0.16 1.86 -1.21 0.02 0.00 0.00 175.30 176.52 3k7d s GLU 816 N -0.05 4.14 0.02 3.54 0.41 -1.26 -4.95 118.70 120.55 3k7d s GLU 816 Ca 0.01 2.58 -0.25 0.00 -0.41 0.00 0.00 54.97 56.90 3k7d s GLU 816 Cb -0.05 -3.75 -0.17 0.00 -1.78 0.00 0.00 34.13 28.38 3k7d s GLU 816 CO -0.00 -0.87 1.34 0.78 -0.49 0.00 0.00 175.26 176.03 3k7d h GLY 817 N 9.15 -0.30 1.01 -1.39 0.00 -1.99 -1.75 103.07 107.80 3k7d h GLY 817 Ca -0.47 0.11 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3k7d h GLY 817 CO 0.95 -0.11 0.44 1.70 0.00 0.00 0.00 176.54 179.52 3k7d h LYS 818 N -0.59 0.88 -0.56 4.80 3.64 -1.99 -0.06 116.57 122.68 3k7d h LYS 818 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3k7d h LYS 818 Cb 0.43 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3k7d h LYS 818 CO 0.05 0.58 0.37 1.15 -2.27 0.00 0.00 179.45 179.33 3k7d h THR 819 N 0.90 1.15 -0.25 1.00 2.02 -1.98 0.17 112.91 115.93 3k7d h THR 819 Ca 0.24 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3k7d h THR 819 Cb -0.10 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3k7d h THR 819 CO -0.05 0.14 0.12 0.25 0.37 0.00 0.00 175.52 176.35 3k7d h LEU 820 N 0.76 0.34 -0.26 2.58 5.85 -1.03 -1.03 115.31 122.53 3k7d h LEU 820 Ca 0.21 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3k7d h LEU 820 Cb -0.08 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3k7d h LEU 820 CO -0.04 0.38 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.73 3k7d h GLN 821 N 0.27 -0.05 -0.77 1.25 4.15 -0.50 -1.10 115.11 118.36 3k7d h GLN 821 Ca 0.09 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.60 3k7d h GLN 821 Cb 0.14 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.76 3k7d h GLN 821 CO -0.01 -0.03 0.42 1.15 -1.93 0.00 0.00 178.83 178.43 3k7d h THR 822 N -0.05 0.88 -0.37 2.39 2.02 -0.54 -1.73 112.91 115.50 3k7d h THR 822 Ca 0.13 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 3k7d h THR 822 Cb 0.25 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3k7d h THR 822 CO -0.29 0.13 -0.09 -0.33 0.37 0.00 0.00 175.52 175.31 3k7d h GLU 823 N 0.71 0.72 -0.24 6.66 5.08 -0.12 -1.47 114.58 125.92 3k7d h GLU 823 Ca 0.38 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3k7d h GLU 823 Cb 0.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3k7d h GLU 823 CO -0.26 0.87 0.08 0.28 -1.00 0.00 0.00 179.01 178.98 3k7d h VAL 824 N 0.52 1.19 -0.36 3.13 2.07 -1.19 -2.58 116.25 119.03 3k7d h VAL 824 Ca 0.09 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3k7d h VAL 824 Cb 0.60 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3k7d h VAL 824 CO 0.04 0.20 0.23 -0.09 0.02 0.00 0.00 177.57 177.96 3k7d h ARG 825 N 0.22 0.46 -0.29 1.57 2.43 -1.18 -1.04 114.38 116.55 3k7d h ARG 825 Ca 0.08 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3k7d h ARG 825 Cb 0.23 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3k7d h ARG 825 CO -0.00 0.30 -0.17 1.49 -1.51 0.00 0.00 179.97 180.08 3k7d h GLU 826 N 0.47 0.51 -0.04 0.20 4.81 -1.30 -2.12 114.58 117.12 3k7d h GLU 826 Ca 0.13 -0.16 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 3k7d h GLU 826 Cb -0.04 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.31 3k7d h GLU 826 CO -0.04 0.66 -0.79 1.98 -0.73 0.00 0.00 179.01 180.09 3k7d h MET 827 N 0.46 0.61 -0.40 1.92 4.05 -1.05 -2.06 114.93 118.45 3k7d h MET 827 Ca 0.08 -0.60 0.08 0.00 -0.28 0.00 0.00 59.70 58.98 3k7d h MET 827 Cb 0.56 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 31.44 3k7d h MET 827 CO 0.04 1.21 -0.10 -0.09 0.23 0.00 0.00 176.91 178.20 3k7d h ARG 828 N 0.23 0.00 -0.48 0.39 9.65 -0.97 -1.03 114.38 122.17 3k7d h ARG 828 Ca -0.09 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.73 3k7d h ARG 828 Cb 1.46 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.02 3k7d h ARG 828 CO 0.16 0.00 0.05 0.93 2.80 0.00 0.00 179.97 183.90 3k7d h GLU 829 N 0.00 0.82 -0.35 0.20 4.39 -1.35 0.57 114.58 118.87 3k7d h GLU 829 Ca 0.19 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.72 3k7d h GLU 829 Cb 0.29 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 3k7d h GLU 829 CO -0.42 0.84 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.00 3k7d h LYS 830 N 0.69 0.03 -0.58 2.33 1.63 -1.15 -1.88 116.57 117.63 3k7d h LYS 830 Ca 0.14 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3k7d h LYS 830 Cb 0.44 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3k7d h LYS 830 CO 0.02 0.02 0.02 0.52 -3.45 0.00 0.00 179.45 176.58 3k7d h MET 831 N 0.03 1.01 0.00 1.90 2.86 -0.69 -1.79 114.93 118.25 3k7d h MET 831 Ca 0.17 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3k7d h MET 831 Cb 0.25 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3k7d h MET 831 CO -0.33 0.99 -0.01 -0.09 1.06 0.00 0.00 176.91 178.53 3k7d h ARG 832 N 0.91 0.00 0.00 1.72 2.43 -0.61 0.41 114.38 119.24 3k7d h ARG 832 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3k7d h ARG 832 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3k7d h ARG 832 CO 0.03 0.01 0.00 0.00 -1.51 0.00 0.00 179.97 178.49 3k7d h ALA 833 N 1.99 1.00 -0.00 2.80 0.00 -0.50 -2.54 119.26 122.01 3k7d h ALA 833 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k7d h ALA 833 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k7d h ALA 833 CO 0.00 0.00 -0.44 0.72 0.00 0.00 0.00 179.25 179.53 3k7d n HIS 834 N -2.83 0.00 0.00 0.00 8.25 -0.04 -4.81 115.22 115.79 3k7d n HIS 834 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3k7d n HIS 834 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3k7d n HIS 834 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3k7d n LEU 835 N -0.78 0.07 -4.72 2.41 4.32 -0.21 -5.09 117.00 113.00 3k7d n LEU 835 Ca 0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.62 3k7d n LEU 835 Cb 0.23 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.99 3k7d n LEU 835 CO 0.21 0.01 0.54 -0.83 -1.22 0.00 0.00 177.39 176.10 3k7d s GLY 836 N -1.69 2.81 0.12 -0.72 0.00 -0.96 -4.81 107.32 102.07 3k7d s GLY 836 Ca 0.00 0.35 -0.35 0.00 0.00 0.00 0.00 44.72 44.72 3k7d s GLY 836 CO 0.00 1.34 1.23 -2.01 0.00 0.00 0.00 173.10 173.66 3k7d n ASN 837 N 3.40 1.34 -4.69 1.64 2.85 -1.26 -4.89 115.26 113.65 3k7d n ASN 837 Ca 0.01 1.13 -0.43 0.00 -0.11 0.00 0.00 54.58 55.19 3k7d n ASN 837 Cb 0.51 -1.18 -0.01 0.00 1.24 0.00 0.00 39.78 40.34 3k7d n ASN 837 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3k7d n LYS 838 N 2.10 2.05 -0.21 1.20 4.81 -1.26 -4.73 118.16 122.11 3k7d n LYS 838 Ca 0.17 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 3k7d n LYS 838 Cb 0.21 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 32.97 3k7d n LYS 838 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3k7d n HIS 839 N 0.30 0.00 0.09 5.64 8.25 -1.26 -4.88 115.22 123.36 3k7d n HIS 839 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 3k7d n HIS 839 Cb 0.36 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 31.01 3k7d n HIS 839 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3k7d h ARG 840 N 0.00 -0.41 0.00 -0.41 -0.00 -2.01 -2.93 114.38 108.63 3k7d h ARG 840 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 3k7d h ARG 840 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.06 3k7d h ARG 840 CO 0.00 -0.27 0.00 -0.40 -0.00 0.00 0.00 179.97 179.30 3k7d n ASP 841 N -5.36 0.00 -4.52 0.08 5.75 -1.26 -4.56 116.55 106.68 3k7d n ASP 841 Ca -0.06 0.08 -0.30 0.00 -0.01 0.00 0.00 54.79 54.50 3k7d n ASP 841 Cb 0.28 -0.09 -0.11 0.00 -1.03 0.00 0.00 41.12 40.16 3k7d n ASP 841 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k7d s ARG 842 N -2.19 1.95 -0.34 0.11 1.81 -1.11 -2.32 118.95 116.87 3k7d s ARG 842 Ca 0.01 -1.09 -0.09 0.00 -1.72 0.00 0.00 55.73 52.84 3k7d s ARG 842 Cb 0.00 -2.20 0.02 0.00 -0.45 0.00 0.00 34.95 32.33 3k7d s ARG 842 CO 0.01 0.50 0.15 0.12 -0.68 0.00 0.00 175.30 175.39 3k7d s PHE 843 N -1.14 3.21 -0.32 -0.53 5.36 0.24 -4.76 117.98 120.04 3k7d s PHE 843 Ca 0.19 -1.01 -0.24 0.00 -0.96 0.00 0.00 56.93 54.90 3k7d s PHE 843 Cb -0.11 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.23 3k7d s PHE 843 CO 0.11 -0.62 0.84 0.34 -1.46 0.00 0.00 175.22 174.43 3k7d s ASP 844 N 1.51 6.69 0.23 6.13 -1.08 -1.26 -1.15 116.67 127.74 3k7d s ASP 844 Ca 0.02 0.67 -0.01 0.00 -0.52 0.00 0.00 52.55 52.70 3k7d s ASP 844 Cb -0.18 -2.43 0.25 0.00 -1.46 0.00 0.00 42.92 39.10 3k7d s ASP 844 CO 0.05 -0.69 1.63 0.40 0.52 0.00 0.00 175.17 177.08 3k7d h ILE 845 N 5.66 1.28 0.00 4.11 2.04 -1.82 -0.52 117.51 128.26 3k7d h ILE 845 Ca -0.24 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 3k7d h ILE 845 Cb 1.09 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3k7d h ILE 845 CO 0.92 0.46 -0.17 0.50 0.00 0.00 0.00 178.15 179.86 3k7d h LYS 846 N 0.51 0.00 0.09 2.37 3.64 -1.92 0.02 116.57 121.27 3k7d h LYS 846 Ca 0.06 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.14 3k7d h LYS 846 Cb 0.81 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3k7d h LYS 846 CO 0.07 0.93 -1.54 0.00 -2.27 0.00 0.00 179.45 176.64 3k7d h ALA 847 N -0.13 0.37 -2.57 5.00 0.00 -1.83 -1.83 119.26 118.26 3k7d h ALA 847 Ca -0.05 -1.17 -0.48 0.00 0.00 0.00 0.00 54.91 53.22 3k7d h ALA 847 Cb 0.97 0.30 0.10 0.00 0.00 0.00 0.00 17.79 19.16 3k7d h ALA 847 CO -0.03 1.23 0.41 -0.51 0.00 0.00 0.00 179.25 180.35 3k7d s ASP 848 N -6.82 4.73 0.23 0.00 1.01 -0.23 -4.59 116.67 111.02 3k7d s ASP 848 Ca -0.08 0.89 -0.31 0.00 0.71 0.00 0.00 52.55 53.76 3k7d s ASP 848 Cb 0.07 -1.47 -0.14 0.00 1.01 0.00 0.00 42.92 42.39 3k7d s ASP 848 CO 0.84 -1.77 1.22 -0.62 0.21 0.00 0.00 175.17 175.05 3k7d n GLU 849 N -3.25 1.57 -0.65 8.23 1.02 -1.26 -1.11 120.64 125.20 3k7d n GLU 849 Ca 0.08 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 3k7d n GLU 849 Cb 0.60 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3k7d n GLU 849 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k7d n GLY 850 N 1.79 0.94 0.00 0.62 0.00 -1.26 -4.96 105.19 102.31 3k7d n GLY 850 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3k7d n GLY 850 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k7d n GLY 851 N -2.00 1.71 0.20 -0.02 0.00 -0.26 -4.27 105.19 100.54 3k7d n GLY 851 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 3k7d n GLY 851 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k7d h ILE 852 N -0.03 1.28 -0.13 -0.61 2.04 -0.89 -2.92 117.51 116.25 3k7d h ILE 852 Ca 0.00 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 3k7d h ILE 852 Cb 0.00 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3k7d h ILE 852 CO 0.00 0.38 -0.15 0.74 0.00 0.00 0.00 178.15 179.12 3k7d h THR 853 N 0.40 1.18 -0.57 -0.27 2.02 -1.60 -0.40 112.91 113.66 3k7d h THR 853 Ca 0.08 -0.78 0.04 0.00 0.77 0.00 0.00 66.41 66.51 3k7d h THR 853 Cb 0.60 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3k7d h THR 853 CO 0.04 0.24 0.33 0.44 0.37 0.00 0.00 175.52 176.93 3k7d h ASP 854 N 0.19 0.51 -0.28 4.18 5.19 -1.75 0.14 116.42 124.61 3k7d h ASP 854 Ca 0.04 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.32 3k7d h ASP 854 Cb 0.38 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3k7d h ASP 854 CO 0.02 0.35 -0.36 0.40 -3.12 0.00 0.00 179.24 176.53 3k7d h ILE 855 N 0.64 1.28 -0.73 0.35 2.04 -1.20 -1.68 117.51 118.21 3k7d h ILE 855 Ca 0.24 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 3k7d h ILE 855 Cb 0.08 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3k7d h ILE 855 CO -0.13 0.50 0.31 -0.08 0.00 0.00 0.00 178.15 178.76 3k7d h GLU 856 N 0.67 1.09 0.00 2.37 4.81 -0.66 -1.73 114.58 121.13 3k7d h GLU 856 Ca 0.06 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 3k7d h GLU 856 Cb 0.92 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3k7d h GLU 856 CO 0.08 0.88 -0.48 0.74 -0.73 0.00 0.00 179.01 179.50 3k7d h PHE 857 N 1.05 0.00 -0.18 0.92 -1.00 -0.52 -0.90 116.94 116.30 3k7d h PHE 857 Ca 0.25 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.98 3k7d h PHE 857 Cb 0.19 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 3k7d h PHE 857 CO 0.01 0.48 -0.08 0.82 -1.61 0.00 0.00 178.31 177.93 3k7d h ILE 858 N 0.00 1.31 -0.33 -0.55 2.04 -0.78 0.16 117.51 119.36 3k7d h ILE 858 Ca -0.00 -1.13 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 3k7d h ILE 858 Cb 0.88 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3k7d h ILE 858 CO 0.06 0.34 -0.21 0.71 0.00 0.00 0.00 178.15 179.05 3k7d h THR 859 N 0.07 1.26 -0.09 -0.27 1.35 -1.09 -1.56 112.91 112.59 3k7d h THR 859 Ca 0.04 -1.26 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 3k7d h THR 859 Cb 0.56 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3k7d h THR 859 CO 0.03 0.41 -0.06 1.56 -0.25 0.00 0.00 175.52 177.21 3k7d h GLN 860 N 0.55 0.19 -0.37 4.72 4.20 -1.03 -2.20 115.11 121.18 3k7d h GLN 860 Ca 0.08 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.76 3k7d h GLN 860 Cb 0.67 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.36 3k7d h GLN 860 CO 0.05 0.58 -0.49 -0.92 -0.67 0.00 0.00 178.83 177.38 3k7d h TYR 861 N -0.20 -1.45 -0.43 2.96 3.20 -0.56 -1.68 116.97 118.81 3k7d h TYR 861 Ca 0.02 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3k7d h TYR 861 Cb 0.53 0.68 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 3k7d h TYR 861 CO 0.08 -0.47 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.97 3k7d h LEU 862 N -0.39 0.74 -0.09 2.82 3.38 -1.26 0.40 115.31 120.92 3k7d h LEU 862 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3k7d h LEU 862 Cb 0.60 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3k7d h LEU 862 CO -0.56 0.86 -0.00 0.58 0.09 0.00 0.00 178.44 179.40 3k7d h VAL 863 N 0.69 1.26 -0.24 1.22 2.07 -1.27 -0.62 116.25 119.36 3k7d h VAL 863 Ca 0.12 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3k7d h VAL 863 Cb 0.55 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3k7d h VAL 863 CO 0.03 0.23 0.03 -0.07 0.02 0.00 0.00 177.57 177.81 3k7d h LEU 864 N -0.13 0.31 -0.03 2.57 3.38 -0.92 -1.01 115.31 119.48 3k7d h LEU 864 Ca 0.02 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3k7d h LEU 864 Cb 0.36 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3k7d h LEU 864 CO 0.00 0.34 -0.65 -0.09 0.09 0.00 0.00 178.44 178.13 3k7d h ARG 865 N 0.34 0.49 -0.01 1.13 2.43 -0.77 -3.39 114.38 114.60 3k7d h ARG 865 Ca 0.08 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3k7d h ARG 865 Cb 0.18 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3k7d h ARG 865 CO 0.00 1.13 -0.42 0.66 -1.51 0.00 0.00 179.97 179.83 3k7d n TYR 866 N -4.16 0.00 0.24 2.20 4.01 -0.26 -4.48 117.16 114.72 3k7d n TYR 866 Ca -0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.72 3k7d n TYR 866 Cb 0.69 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.32 3k7d n TYR 866 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k7d h ALA 867 N 2.22 1.59 -0.75 -0.72 0.00 -1.37 0.36 119.26 120.58 3k7d h ALA 867 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k7d h ALA 867 Cb 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3k7d h ALA 867 CO 0.00 0.19 0.43 1.25 0.00 0.00 0.00 179.25 181.12 3k7d h HIS 868 N 0.00 1.01 0.06 0.00 -0.00 -1.77 -1.69 115.15 112.77 3k7d h HIS 868 Ca -0.00 -0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.08 3k7d h HIS 868 Cb 0.29 -0.33 0.02 0.00 -0.00 0.00 0.00 27.41 27.39 3k7d h HIS 868 CO 0.00 0.70 -1.12 0.93 -0.00 0.00 0.00 177.93 178.43 3k7d h GLU 869 N 1.04 0.58 -2.60 5.26 5.08 -1.66 -3.41 114.58 118.86 3k7d h GLU 869 Ca 0.27 -0.70 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 3k7d h GLU 869 Cb -0.00 0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 3k7d h GLU 869 CO -0.05 1.30 -0.68 1.63 -1.00 0.00 0.00 179.01 180.21 3k7d n LYS 870 N -3.78 1.76 0.32 2.33 4.76 0.12 -4.95 118.16 118.72 3k7d n LYS 870 Ca -0.11 -4.28 0.20 0.00 -2.87 0.00 0.00 58.31 51.26 3k7d n LYS 870 Cb 0.93 -2.11 1.10 0.00 -1.84 0.00 0.00 35.03 33.11 3k7d n LYS 870 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3k7d h PRO 871 N 4.89 0.00 -0.02 1.97 0.11 -1.57 0.14 132.00 137.52 3k7d h PRO 871 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3k7d h PRO 871 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 3k7d h PRO 871 CO 0.69 0.00 0.10 0.87 -0.21 0.00 0.00 178.00 179.45 3k7d h LYS 872 N 0.00 0.00 0.00 1.05 1.57 -1.93 -2.09 116.57 115.17 3k7d h LYS 872 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3k7d h LYS 872 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3k7d h LYS 872 CO -0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 3k7d h LEU 873 N 0.00 0.00 -0.16 2.94 3.38 -1.30 -2.35 115.31 117.81 3k7d h LEU 873 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k7d h LEU 873 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k7d h LEU 873 CO -0.00 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 178.84 3k7d n THR 874 N -2.93 0.00 0.04 0.22 -2.24 -0.79 -4.39 114.28 104.20 3k7d n THR 874 Ca -0.02 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 3k7d n THR 874 Cb 0.08 -0.26 0.24 0.00 -2.10 0.00 0.00 70.33 68.29 3k7d n THR 874 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k7d h ARG 875 N 0.40 0.40 -5.18 -0.78 3.08 -1.64 -3.45 114.38 107.22 3k7d h ARG 875 Ca 0.00 -0.14 -0.36 0.00 0.07 0.00 0.00 59.98 59.55 3k7d h ARG 875 Cb 0.26 -0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.11 3k7d h ARG 875 CO 0.00 0.62 -0.74 -1.58 -1.07 0.00 0.00 179.97 177.21 3k7d s TRP 876 N -4.49 1.26 -0.80 3.04 0.52 -1.26 -5.06 118.94 112.14 3k7d s TRP 876 Ca -0.06 -0.64 0.08 0.00 0.02 0.00 0.00 56.10 55.49 3k7d s TRP 876 Cb 0.14 -0.66 0.02 0.00 -1.15 0.00 0.00 33.47 31.82 3k7d s TRP 876 CO 0.78 0.09 0.62 -1.13 0.02 0.00 0.00 176.95 177.33 3k7d n SER 877 N 0.32 1.29 -4.93 2.95 3.41 -1.26 -4.63 113.62 110.77 3k7d n SER 877 Ca -0.14 -1.14 -0.27 0.00 -0.26 0.00 0.00 58.87 57.06 3k7d n SER 877 Cb 0.58 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 3k7d n SER 877 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3k7d s ASP 878 N -0.94 6.37 0.21 4.04 -4.77 -1.26 -4.34 116.67 115.98 3k7d s ASP 878 Ca 0.07 0.35 -0.09 0.00 -3.30 0.00 0.00 52.55 49.59 3k7d s ASP 878 Cb 0.06 -1.99 0.14 0.00 -1.09 0.00 0.00 42.92 40.05 3k7d s ASP 878 CO 0.15 -0.03 1.77 0.78 0.70 0.00 0.00 175.17 178.55 3k7d h ASN 879 N 2.01 1.05 0.31 2.11 2.35 -1.95 -0.30 115.58 121.16 3k7d h ASN 879 Ca -0.48 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.09 3k7d h ASN 879 Cb 1.19 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 3k7d h ASN 879 CO 0.68 0.93 -0.19 0.58 -1.65 0.00 0.00 177.43 177.78 3k7d h VAL 880 N 1.10 0.61 0.00 2.81 2.07 -1.95 -0.55 116.25 120.34 3k7d h VAL 880 Ca 0.26 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 3k7d h VAL 880 Cb 0.20 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3k7d h VAL 880 CO -0.02 0.00 -0.46 0.03 0.02 0.00 0.00 177.57 177.13 3k7d h ARG 881 N -0.48 0.00 -0.26 1.57 3.08 -1.92 -2.21 114.38 114.17 3k7d h ARG 881 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3k7d h ARG 881 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3k7d h ARG 881 CO 0.04 0.46 0.08 0.82 -1.07 0.00 0.00 179.97 180.30 3k7d h ILE 882 N 0.00 1.20 -0.58 2.04 2.04 -0.81 -0.32 117.51 121.08 3k7d h ILE 882 Ca -0.00 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3k7d h ILE 882 Cb 1.01 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3k7d h ILE 882 CO 0.06 0.21 0.38 -0.07 0.00 0.00 0.00 178.15 178.73 3k7d h LEU 883 N 0.25 0.52 -0.20 1.44 -0.00 -0.87 0.41 115.31 116.86 3k7d h LEU 883 Ca 0.08 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.75 3k7d h LEU 883 Cb 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 3k7d h LEU 883 CO -0.00 0.34 -0.94 -0.08 -0.00 0.00 0.00 178.44 177.76 3k7d h GLU 884 N 0.59 0.18 -0.72 1.13 4.81 -1.16 -2.64 114.58 116.78 3k7d h GLU 884 Ca 0.24 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3k7d h GLU 884 Cb 0.22 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3k7d h GLU 884 CO -0.07 0.99 0.25 -0.07 -0.73 0.00 0.00 179.01 179.38 3k7d h LEU 885 N 0.09 1.02 -1.45 1.64 3.38 0.45 0.09 115.31 120.52 3k7d h LEU 885 Ca -0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3k7d h LEU 885 Cb 1.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3k7d h LEU 885 CO 0.14 0.94 0.05 -0.07 0.09 0.00 0.00 178.44 179.59 3k7d h LEU 886 N 1.04 0.38 0.06 1.67 3.38 -0.03 -0.81 115.31 121.00 3k7d h LEU 886 Ca 0.23 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3k7d h LEU 886 Cb 0.26 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k7d h LEU 886 CO -0.01 0.40 -0.48 0.00 0.09 0.00 0.00 178.44 178.43 3k7d h ALA 887 N 1.66 -0.02 -1.00 1.53 0.00 -1.20 0.11 119.26 120.33 3k7d h ALA 887 Ca 0.10 -0.59 0.17 0.00 0.00 0.00 0.00 54.91 54.59 3k7d h ALA 887 Cb 0.19 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3k7d h ALA 887 CO -0.00 0.23 0.62 1.96 0.00 0.00 0.00 179.25 182.06 3k7d h GLN 888 N -0.50 0.81 -0.63 0.00 4.20 -0.69 -1.81 115.11 116.49 3k7d h GLN 888 Ca -0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3k7d h GLN 888 Cb 1.32 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3k7d h GLN 888 CO 0.09 0.54 0.00 0.09 -0.67 0.00 0.00 178.83 178.88 3k7d n ASN 889 N -4.70 3.91 -2.30 1.46 3.02 -0.33 -4.94 115.26 111.37 3k7d n ASN 889 Ca 0.22 -2.33 -0.20 0.00 -0.03 0.00 0.00 54.58 52.24 3k7d n ASN 889 Cb 0.50 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3k7d n ASN 889 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3k7d n ASP 890 N 0.92 -5.60 -0.07 6.41 8.00 -0.68 -4.92 116.55 120.60 3k7d n ASP 890 Ca 0.21 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.54 3k7d n ASP 890 Cb 0.73 -4.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.13 3k7d n ASP 890 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k7d h ILE 891 N -0.21 1.15 -3.00 0.53 1.08 -1.03 -3.47 117.51 112.56 3k7d h ILE 891 Ca -0.47 -1.94 -0.63 0.00 -0.39 0.00 0.00 64.86 61.44 3k7d h ILE 891 Cb 1.34 2.25 -0.06 0.00 -3.07 0.00 0.00 36.82 37.28 3k7d h ILE 891 CO 0.54 0.39 -0.53 -0.04 -0.69 0.00 0.00 178.15 177.82 3k7d s MET 892 N -2.09 3.26 0.33 2.37 -1.94 -0.89 -5.01 119.30 115.32 3k7d s MET 892 Ca -0.16 -0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 53.01 3k7d s MET 892 Cb -0.01 -2.94 -0.11 0.00 2.01 0.00 0.00 34.83 33.78 3k7d s MET 892 CO 0.49 0.60 1.55 0.39 -0.01 0.00 0.00 175.02 178.03 3k7d n GLU 893 N 0.37 2.70 -0.30 2.03 1.02 -1.26 -4.21 120.64 120.98 3k7d n GLU 893 Ca -0.06 0.95 0.10 0.00 -0.02 0.00 0.00 57.16 58.13 3k7d n GLU 893 Cb 0.51 -2.71 0.21 0.00 -0.02 0.00 0.00 31.44 29.43 3k7d n GLU 893 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k7d n GLU 894 N 1.33 -0.07 0.01 3.49 1.02 -1.26 -1.70 120.64 123.45 3k7d n GLU 894 Ca 0.05 1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 58.38 3k7d n GLU 894 Cb 0.38 -2.03 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 3k7d n GLU 894 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3k7d h GLN 895 N 0.00 0.08 -0.40 3.49 4.15 -1.99 -1.14 115.11 119.30 3k7d h GLN 895 Ca 0.49 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.84 3k7d h GLN 895 Cb 0.93 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 3k7d h GLN 895 CO -0.83 0.05 0.01 1.49 -1.93 0.00 0.00 178.83 177.62 3k7d h GLU 896 N 0.08 0.70 -0.31 1.69 4.81 -1.83 -1.25 114.58 118.47 3k7d h GLU 896 Ca 0.03 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3k7d h GLU 896 Cb 0.01 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 3k7d h GLU 896 CO -0.02 0.78 -0.01 0.00 -0.73 0.00 0.00 179.01 179.03 3k7d h ALA 897 N 0.89 0.26 -0.29 2.92 0.00 -1.20 -0.57 119.26 121.27 3k7d h ALA 897 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3k7d h ALA 897 Cb 0.46 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3k7d h ALA 897 CO 0.02 -0.42 -0.27 0.52 0.00 0.00 0.00 179.25 179.10 3k7d h MET 898 N 0.07 0.59 -0.26 0.00 2.86 -1.15 0.42 114.93 117.47 3k7d h MET 898 Ca 0.15 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3k7d h MET 898 Cb 0.20 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3k7d h MET 898 CO -0.26 0.81 0.11 0.00 1.06 0.00 0.00 176.91 178.62 3k7d h ALA 899 N 1.19 0.34 -0.25 6.32 0.00 -0.96 -0.23 119.26 125.67 3k7d h ALA 899 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3k7d h ALA 899 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3k7d h ALA 899 CO 0.06 -0.06 -0.10 -0.07 0.00 0.00 0.00 179.25 179.07 3k7d h LEU 900 N 0.28 0.38 -0.37 0.00 3.38 -0.89 -1.42 115.31 116.67 3k7d h LEU 900 Ca 0.09 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3k7d h LEU 900 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3k7d h LEU 900 CO -0.01 0.52 -0.24 0.74 0.09 0.00 0.00 178.44 179.55 3k7d h THR 901 N 0.38 1.28 -0.25 0.22 2.02 -0.28 -1.16 112.91 115.13 3k7d h THR 901 Ca 0.08 -1.39 -0.20 0.00 0.77 0.00 0.00 66.41 65.67 3k7d h THR 901 Cb 0.41 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3k7d h THR 901 CO 0.02 0.46 -0.62 0.03 0.37 0.00 0.00 175.52 175.78 3k7d h ARG 902 N 0.60 0.85 -0.93 6.66 3.08 -0.85 -1.96 114.38 121.84 3k7d h ARG 902 Ca 0.07 -0.59 0.03 0.00 0.07 0.00 0.00 59.98 59.57 3k7d h ARG 902 Cb 0.80 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 3k7d h ARG 902 CO 0.07 1.21 0.61 0.00 -1.07 0.00 0.00 179.97 180.79 3k7d h ALA 903 N 0.65 1.39 0.17 0.04 0.00 -1.20 -0.78 119.26 119.53 3k7d h ALA 903 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k7d h ALA 903 Cb 1.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k7d h ALA 903 CO 0.13 0.52 -0.08 -0.92 0.00 0.00 0.00 179.25 178.91 3k7d h TYR 904 N 1.18 -0.21 -0.09 0.00 3.20 -0.78 -1.50 116.97 118.76 3k7d h TYR 904 Ca 0.36 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3k7d h TYR 904 Cb -0.02 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3k7d h TYR 904 CO -0.00 0.16 -0.14 1.79 -1.64 0.00 0.00 178.16 178.33 3k7d h THR 905 N -0.65 1.15 -0.32 1.81 1.35 -1.34 -0.13 112.91 114.78 3k7d h THR 905 Ca -0.02 -0.69 -0.14 0.00 -0.55 0.00 0.00 66.41 65.01 3k7d h THR 905 Cb 0.47 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3k7d h THR 905 CO 0.04 0.21 -0.35 0.74 -0.25 0.00 0.00 175.52 175.90 3k7d h THR 906 N 0.13 1.28 0.04 6.82 2.02 -0.99 -1.46 112.91 120.76 3k7d h THR 906 Ca 0.03 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 3k7d h THR 906 Cb 0.34 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3k7d h THR 906 CO 0.02 0.49 -0.02 -0.07 0.37 0.00 0.00 175.52 176.31 3k7d h LEU 907 N 0.61 -0.05 -0.75 2.58 3.38 -0.70 -2.29 115.31 118.10 3k7d h LEU 907 Ca 0.06 -0.63 0.17 0.00 0.09 0.00 0.00 57.88 57.57 3k7d h LEU 907 Cb 0.88 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 3k7d h LEU 907 CO 0.08 0.67 0.03 -0.09 0.09 0.00 0.00 178.44 179.21 3k7d h ARG 908 N -0.83 0.11 0.00 1.13 2.43 -1.08 -2.35 114.38 113.79 3k7d h ARG 908 Ca -0.01 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3k7d h ARG 908 Cb 0.68 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3k7d h ARG 908 CO 0.01 0.08 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.51 3k7d h ASP 909 N 0.12 0.00 0.12 -3.80 3.32 -1.30 -1.83 116.42 113.05 3k7d h ASP 909 Ca 0.41 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 3k7d h ASP 909 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3k7d h ASP 909 CO -0.64 0.60 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.27 3k7d h GLU 910 N 0.00 0.01 -0.20 3.56 4.57 -0.88 -2.37 114.58 119.25 3k7d h GLU 910 Ca -0.01 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3k7d h GLU 910 Cb 1.32 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3k7d h GLU 910 CO 0.08 0.13 -0.37 -0.07 -1.18 0.00 0.00 179.01 177.60 3k7d h LEU 911 N 0.01 0.46 -0.69 1.64 3.38 -1.02 -0.82 115.31 118.26 3k7d h LEU 911 Ca 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3k7d h LEU 911 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3k7d h LEU 911 CO 0.02 0.79 0.16 0.45 0.09 0.00 0.00 178.44 179.95 3k7d h HIS 912 N 0.38 1.17 -0.53 1.13 3.86 -1.32 0.10 115.15 119.94 3k7d h HIS 912 Ca 0.04 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3k7d h HIS 912 Cb 0.82 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3k7d h HIS 912 CO 0.03 0.96 0.09 1.25 0.86 0.00 0.00 177.93 181.11 3k7d h HIS 913 N 1.05 0.94 -0.39 2.45 -0.00 -1.07 -1.19 115.15 116.94 3k7d h HIS 913 Ca 0.22 -0.13 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 3k7d h HIS 913 Cb 0.39 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3k7d h HIS 913 CO 0.03 0.84 -0.14 -0.07 -0.00 0.00 0.00 177.93 178.59 3k7d h LEU 914 N 0.77 0.70 -0.35 0.26 3.38 -0.86 -2.27 115.31 116.92 3k7d h LEU 914 Ca 0.16 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3k7d h LEU 914 Cb 0.40 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3k7d h LEU 914 CO 0.01 0.85 0.09 0.00 0.09 0.00 0.00 178.44 179.48 3k7d h ALA 915 N 1.21 0.39 0.00 1.53 0.00 -0.60 -0.19 119.26 121.60 3k7d h ALA 915 Ca 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k7d h ALA 915 Cb 0.60 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3k7d h ALA 915 CO 0.04 -0.31 -0.01 -0.07 0.00 0.00 0.00 179.25 178.90 3k7d h LEU 916 N 0.22 0.00 -2.07 0.00 3.38 -0.65 -1.51 115.31 114.69 3k7d h LEU 916 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3k7d h LEU 916 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k7d h LEU 916 CO -0.20 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.34 3k7d n GLN 917 N -3.15 2.03 -3.85 1.13 1.13 -0.88 -2.98 117.38 110.82 3k7d n GLN 917 Ca -0.02 -1.91 -0.29 0.00 -1.94 0.00 0.00 57.00 52.84 3k7d n GLN 917 Cb 0.14 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.13 3k7d n GLN 917 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3k7d n GLU 918 N 1.16 -6.05 -4.05 -1.09 1.02 -0.57 -4.75 120.64 106.30 3k7d n GLU 918 Ca 0.14 0.65 -0.28 0.00 -0.02 0.00 0.00 57.16 57.65 3k7d n GLU 918 Cb 0.51 -5.58 -0.06 0.00 -0.02 0.00 0.00 31.44 26.30 3k7d n GLU 918 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k7d s LEU 919 N -7.29 3.88 0.90 -4.62 1.43 -0.17 -5.04 118.68 107.76 3k7d s LEU 919 Ca 0.65 -0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 3k7d s LEU 919 Cb -0.32 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.52 3k7d s LEU 919 CO 0.81 0.11 1.13 -2.16 0.23 0.00 0.00 176.35 176.46 3k7d s PRO 920 N -2.81 1.26 0.00 1.29 0.04 -1.26 -4.41 135.00 129.11 3k7d s PRO 920 Ca 0.31 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.72 3k7d s PRO 920 Cb -0.11 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3k7d s PRO 920 CO 0.24 -2.13 0.56 0.41 0.04 0.00 0.00 177.00 176.12 3k7d n GLY 921 N -2.10 0.64 3.27 0.56 0.00 -1.26 -4.74 105.19 101.56 3k7d n GLY 921 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3k7d n GLY 921 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3k7d s HIS 922 N -1.30 1.93 0.38 1.61 -3.43 -1.26 -2.20 115.29 111.01 3k7d s HIS 922 Ca 0.00 -0.38 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 3k7d s HIS 922 Cb 0.00 -1.15 -0.02 0.00 -1.43 0.00 0.00 32.58 29.99 3k7d s HIS 922 CO 0.00 0.11 0.16 1.33 -2.00 0.00 0.00 174.74 174.33 3k7d n VAL 923 N 1.80 0.00 -1.72 -5.38 0.24 -0.30 -4.92 118.33 108.04 3k7d n VAL 923 Ca -0.17 -2.26 -0.42 0.00 -2.04 0.00 0.00 64.34 59.45 3k7d n VAL 923 Cb 0.53 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 3k7d n VAL 923 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3k7d n SER 924 N -1.59 2.95 -0.55 -1.34 2.88 -1.26 -0.59 113.62 114.12 3k7d n SER 924 Ca -0.04 1.18 0.43 0.00 -1.33 0.00 0.00 58.87 59.12 3k7d n SER 924 Cb 0.58 -1.52 0.67 0.00 -0.75 0.00 0.00 64.21 63.18 3k7d n SER 924 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3k7d n GLU 925 N 0.36 0.00 0.05 -1.46 4.07 -0.98 -1.72 120.64 120.96 3k7d n GLU 925 Ca 0.04 0.95 0.12 0.00 -0.06 0.00 0.00 57.16 58.21 3k7d n GLU 925 Cb 0.38 -2.22 0.22 0.00 -0.06 0.00 0.00 31.44 29.76 3k7d n GLU 925 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3k7d n ASP 926 N -3.57 0.63 -4.85 4.31 8.00 -1.26 -4.87 116.55 114.94 3k7d n ASP 926 Ca 0.36 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.64 3k7d n ASP 926 Cb 1.71 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 42.88 3k7d n ASP 926 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k7d n PHE 928 N -1.88 -2.36 -0.17 0.00 3.72 -1.26 -4.88 117.46 110.62 3k7d n PHE 928 Ca 0.06 0.74 -0.08 0.00 -0.05 0.00 0.00 57.45 58.12 3k7d n PHE 928 Cb 0.54 -4.68 0.01 0.00 -0.94 0.00 0.00 39.48 34.42 3k7d n PHE 928 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3k7d h THR 929 N -1.95 1.16 -0.22 4.37 2.02 -1.93 -0.45 112.91 115.91 3k7d h THR 929 Ca -0.55 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 3k7d h THR 929 Cb 1.37 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3k7d h THR 929 CO 0.57 0.17 -0.12 0.00 0.37 0.00 0.00 175.52 176.51 3k7d h ALA 930 N 1.12 0.31 -0.33 6.16 0.00 -1.96 -1.88 119.26 122.69 3k7d h ALA 930 Ca 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k7d h ALA 930 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k7d h ALA 930 CO -0.03 0.17 0.20 0.93 0.00 0.00 0.00 179.25 180.51 3k7d h GLU 931 N 0.17 0.44 -0.57 0.00 3.07 -1.92 0.01 114.58 115.78 3k7d h GLU 931 Ca 0.05 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3k7d h GLU 931 Cb 0.62 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 3k7d h GLU 931 CO 0.03 0.33 0.37 0.00 -1.40 0.00 0.00 179.01 178.35 3k7d h ARG 932 N 0.42 0.74 -0.84 2.33 3.08 -1.08 -0.79 114.38 118.25 3k7d h ARG 932 Ca 0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3k7d h ARG 932 Cb 0.01 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3k7d h ARG 932 CO -0.02 0.49 0.43 1.49 -1.07 0.00 0.00 179.97 181.29 3k7d h GLU 933 N 0.76 1.18 0.01 0.04 4.57 -0.84 0.12 114.58 120.42 3k7d h GLU 933 Ca 0.21 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3k7d h GLU 933 Cb -0.09 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.28 3k7d h GLU 933 CO -0.05 0.88 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.59 3k7d h LEU 934 N 1.18 -0.01 -0.59 1.64 4.07 -0.61 0.13 115.31 121.12 3k7d h LEU 934 Ca 0.29 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3k7d h LEU 934 Cb 0.06 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 3k7d h LEU 934 CO -0.04 0.24 0.38 0.58 -1.08 0.00 0.00 178.44 178.51 3k7d h VAL 935 N -0.25 1.16 -0.30 1.22 2.07 -0.95 -1.57 116.25 117.62 3k7d h VAL 935 Ca -0.00 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3k7d h VAL 935 Cb 0.25 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3k7d h VAL 935 CO 0.00 0.15 0.11 0.03 0.02 0.00 0.00 177.57 177.89 3k7d h ARG 936 N 0.79 0.24 -0.85 1.57 3.08 -0.45 0.58 114.38 119.34 3k7d h ARG 936 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3k7d h ARG 936 Cb -0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3k7d h ARG 936 CO -0.04 0.16 0.46 0.00 -1.07 0.00 0.00 179.97 179.47 3k7d h ALA 937 N 1.19 1.09 -0.65 0.04 0.00 -0.75 -0.70 119.26 119.48 3k7d h ALA 937 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k7d h ALA 937 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3k7d h ALA 937 CO -0.13 0.61 0.26 0.77 0.00 0.00 0.00 179.25 180.76 3k7d h SER 938 N 1.19 0.90 -0.58 0.00 0.02 -0.80 -1.21 113.55 113.06 3k7d h SER 938 Ca 0.30 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3k7d h SER 938 Cb 0.05 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3k7d h SER 938 CO -0.05 0.82 0.34 -0.25 -1.14 0.00 0.00 176.83 176.56 3k7d h TRP 939 N 0.92 0.64 -0.61 3.45 2.91 -0.39 -0.60 115.95 122.26 3k7d h TRP 939 Ca 0.22 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.20 3k7d h TRP 939 Cb 0.20 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 3k7d h TRP 939 CO 0.01 0.35 0.15 0.37 -1.03 0.00 0.00 178.44 178.29 3k7d h GLN 940 N 0.67 0.98 -0.10 2.65 5.75 -0.91 0.12 115.11 124.27 3k7d h GLN 940 Ca 0.24 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3k7d h GLN 940 Cb 0.06 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 3k7d h GLN 940 CO -0.12 0.89 -0.10 -0.22 -2.65 0.00 0.00 178.83 176.64 3k7d h LYS 941 N 0.90 0.24 0.11 1.69 3.64 -0.97 -2.26 116.57 119.92 3k7d h LYS 941 Ca 0.19 -0.13 -0.35 0.00 -1.27 0.00 0.00 60.65 59.09 3k7d h LYS 941 Cb 0.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3k7d h LYS 941 CO 0.00 0.66 -1.92 -1.49 -2.27 0.00 0.00 179.45 174.44 3k7d h TRP 942 N -0.18 0.44 0.00 1.91 4.06 -1.09 -3.35 115.95 117.75 3k7d h TRP 942 Ca 0.01 -0.32 -0.02 0.00 2.06 0.00 0.00 58.89 60.62 3k7d h TRP 942 Cb 0.62 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.76 3k7d h TRP 942 CO 0.09 1.65 -1.98 1.28 -3.56 0.00 0.00 178.44 175.93 3k7d n LEU 943 N -3.43 0.04 -0.08 -4.49 7.99 0.40 -4.63 117.00 112.81 3k7d n LEU 943 Ca -0.28 0.02 -0.09 0.00 -0.01 0.00 0.00 56.01 55.65 3k7d n LEU 943 Cb 1.05 0.03 -0.10 0.00 -0.11 0.00 0.00 43.42 44.29 3k7d n LEU 943 CO 0.44 0.02 -0.99 0.52 -1.51 0.00 0.00 177.39 175.88 3k7d n VAL 944 N -2.31 0.98 -3.71 4.08 0.31 -1.10 -4.81 118.33 111.76 3k7d n VAL 944 Ca -0.06 -0.53 -0.20 0.00 -0.01 0.00 0.00 64.34 63.54 3k7d n VAL 944 Cb 0.61 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 3k7d n VAL 944 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3k7d s GLU 945 N -2.34 3.01 0.00 5.55 2.02 -0.87 -5.05 118.70 121.02 3k7d s GLU 945 Ca -0.12 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3k7d s GLU 945 Cb 0.05 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3k7d s GLU 945 CO 0.52 0.15 0.00 0.39 0.02 0.00 0.00 175.26 176.34