#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 0.36 0.00 1.43 5.08 -2.03 -0.74 114.58 118.68 3k7d h GLU 450 Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3k7d h GLU 450 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3k7d h GLU 450 CO 0.00 0.24 -0.32 1.96 -1.00 0.00 0.00 179.01 179.89 3k7d h GLN 451 N 0.37 0.00 -0.20 2.33 4.20 -2.03 -1.32 115.11 118.47 3k7d h GLN 451 Ca 0.63 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 59.13 3k7d h GLN 451 Cb 1.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.09 3k7d h GLN 451 CO -0.57 0.32 -0.70 -1.49 -0.67 0.00 0.00 178.83 175.72 3k7d h TRP 452 N 0.00 1.07 -0.53 2.96 4.06 -1.50 -1.93 115.95 120.08 3k7d h TRP 452 Ca -0.00 -0.44 0.05 0.00 2.06 0.00 0.00 58.89 60.55 3k7d h TRP 452 Cb 0.72 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.66 3k7d h TRP 452 CO 0.00 1.27 0.27 0.00 -3.56 0.00 0.00 178.44 176.42 3k7d h ARG 453 N 0.58 0.51 -0.15 0.49 3.08 -1.01 -2.20 114.38 115.68 3k7d h ARG 453 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3k7d h ARG 453 Cb 1.32 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3k7d h ARG 453 CO 0.15 0.34 -0.16 0.93 -1.07 0.00 0.00 179.97 180.16 3k7d h GLU 454 N 0.52 0.25 -0.79 0.04 5.08 -1.19 -0.41 114.58 118.09 3k7d h GLU 454 Ca 0.24 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3k7d h GLU 454 Cb 0.15 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3k7d h GLU 454 CO -0.17 0.41 0.34 1.25 -1.00 0.00 0.00 179.01 179.85 3k7d h LEU 455 N 0.23 1.05 -0.05 1.33 5.85 -0.71 0.14 115.31 123.16 3k7d h LEU 455 Ca 0.05 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3k7d h LEU 455 Cb 0.42 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3k7d h LEU 455 CO 0.03 0.91 -0.18 -0.25 -0.34 0.00 0.00 178.44 178.61 3k7d h TRP 456 N 1.13 0.28 0.11 1.25 -0.00 -1.23 -3.11 115.95 114.38 3k7d h TRP 456 Ca 0.27 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 59.04 3k7d h TRP 456 Cb 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.28 3k7d h TRP 456 CO 0.02 0.80 -0.05 1.96 -0.00 0.00 0.00 178.44 181.17 3k7d h GLN 457 N -0.33 -0.14 -0.98 2.65 4.20 -0.89 -2.54 115.11 117.08 3k7d h GLN 457 Ca -0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3k7d h GLN 457 Cb 0.81 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3k7d h GLN 457 CO 0.04 0.25 0.01 -0.25 -0.67 0.00 0.00 178.83 178.21 3k7d n ASP 458 N -4.97 1.86 -0.26 1.46 8.00 0.02 -4.56 116.55 118.11 3k7d n ASP 458 Ca -0.09 -2.08 0.06 0.00 0.71 0.00 0.00 54.79 53.39 3k7d n ASP 458 Cb 0.24 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 40.98 3k7d n ASP 458 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k7d h ALA 459 N 2.07 0.81 0.00 2.24 0.00 -1.37 -0.65 119.26 122.36 3k7d h ALA 459 Ca 0.01 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3k7d h ALA 459 Cb 0.77 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k7d h ALA 459 CO 0.05 -0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 178.59 3k7d h LEU 460 N 0.11 0.00 -1.39 0.00 3.38 -1.85 -1.91 115.31 113.65 3k7d h LEU 460 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 3k7d h LEU 460 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3k7d h LEU 460 CO -0.67 0.22 -0.18 1.56 0.09 0.00 0.00 178.44 179.46 3k7d h GLN 461 N 0.00 0.00 -6.49 1.13 4.20 -1.47 -3.47 115.11 109.01 3k7d h GLN 461 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3k7d h GLN 461 Cb 0.48 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3k7d h GLN 461 CO 0.03 0.18 -0.90 0.39 -0.67 0.00 0.00 178.83 177.86 3k7d n GLU 462 N -3.44 -2.85 -1.96 1.46 1.02 -0.72 -4.81 120.64 109.34 3k7d n GLU 462 Ca -0.00 0.39 -0.43 0.00 -0.02 0.00 0.00 57.16 57.10 3k7d n GLU 462 Cb 0.36 -4.38 -0.03 0.00 -0.02 0.00 0.00 31.44 27.37 3k7d n GLU 462 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k7d s ASP 463 N -4.23 6.33 0.53 1.62 -1.08 -1.26 -4.88 116.67 113.70 3k7d s ASP 463 Ca 0.08 1.93 0.21 0.00 -0.52 0.00 0.00 52.55 54.25 3k7d s ASP 463 Cb -0.03 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.31 3k7d s ASP 463 CO 0.89 -1.25 2.15 -0.78 0.52 0.00 0.00 175.17 176.70 3k7d h ASP 464 N 11.02 0.00 -0.55 -0.34 3.58 -1.99 -3.25 116.42 124.88 3k7d h ASP 464 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 3k7d h ASP 464 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 3k7d h ASP 464 CO 0.98 0.04 0.00 0.35 -2.88 0.00 0.00 179.24 177.73 3k7d n THR 465 N -4.22 1.45 -2.15 2.25 -2.24 -1.26 -4.92 114.28 103.19 3k7d n THR 465 Ca -0.03 -0.96 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 3k7d n THR 465 Cb 0.13 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.73 3.52 0.40 4.28 -1.32 -1.23 -4.89 115.64 114.67 3k7d s THR 466 Ca 0.43 0.93 0.09 0.00 -1.21 0.00 0.00 61.69 61.93 3k7d s THR 466 Cb 0.27 -3.60 0.30 0.00 -1.51 0.00 0.00 72.50 67.96 3k7d s THR 466 CO 0.22 0.00 1.99 -0.65 -2.21 0.00 0.00 174.62 173.97 3k7d h PRO 467 N 7.88 0.56 0.00 7.08 0.11 -1.95 -2.12 132.00 143.56 3k7d h PRO 467 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3k7d h PRO 467 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3k7d h PRO 467 CO 0.91 0.37 0.00 -0.39 -0.21 0.00 0.00 178.00 178.68 3k7d h VAL 468 N 0.58 0.00 -0.45 3.15 -1.51 -1.94 -0.54 116.25 115.54 3k7d h VAL 468 Ca 0.26 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 3k7d h VAL 468 Cb 0.29 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3k7d h VAL 468 CO -0.08 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.44 3k7d n LEU 469 N -3.01 3.35 0.30 4.19 4.77 -0.80 -4.63 117.00 121.18 3k7d n LEU 469 Ca -0.02 -1.74 0.19 0.00 -0.03 0.00 0.00 56.01 54.41 3k7d n LEU 469 Cb 0.14 -0.30 0.96 0.00 -2.33 0.00 0.00 43.42 41.89 3k7d n LEU 469 CO 0.21 0.78 1.09 0.00 -1.33 0.00 0.00 177.39 178.15 3k7d h ALA 470 N 3.61 1.11 0.00 -1.18 0.00 -1.15 -2.93 119.26 118.72 3k7d h ALA 470 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3k7d h ALA 470 Cb 0.88 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3k7d h ALA 470 CO 0.00 0.03 -0.06 1.12 0.00 0.00 0.00 179.25 180.35 3k7d h HIS 471 N 0.00 0.00 -3.77 0.00 2.07 -1.82 -3.45 115.15 108.18 3k7d h HIS 471 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3k7d h HIS 471 Cb 0.20 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.22 3k7d h HIS 471 CO 0.00 0.06 0.19 -0.51 -3.07 0.00 0.00 177.93 174.60 3k7d s LEU 472 N -6.34 3.47 0.73 6.12 1.43 -1.11 -5.08 118.68 117.91 3k7d s LEU 472 Ca 0.01 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 3k7d s LEU 472 Cb 0.09 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.38 3k7d s LEU 472 CO 0.58 -0.72 1.10 -0.94 0.23 0.00 0.00 176.35 176.59 3k7d s SER 473 N -4.16 4.72 0.18 2.29 1.04 -1.26 -4.75 113.70 111.77 3k7d s SER 473 Ca 0.50 1.88 -0.24 0.00 0.48 0.00 0.00 55.95 58.57 3k7d s SER 473 Cb -0.10 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.56 3k7d s SER 473 CO 0.47 -1.89 1.57 -0.33 0.98 0.00 0.00 173.24 174.04 3k7d h GLU 474 N -0.73 -0.18 -0.69 4.02 4.39 -1.97 0.17 114.58 119.59 3k7d h GLU 474 Ca -0.45 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3k7d h GLU 474 Cb 1.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3k7d h GLU 474 CO 0.52 -0.12 0.40 -0.44 -1.16 0.00 0.00 179.01 178.22 3k7d h ASP 475 N -0.18 0.84 -0.53 1.42 3.32 -1.99 0.36 116.42 119.66 3k7d h ASP 475 Ca 0.21 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3k7d h ASP 475 Cb 0.56 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3k7d h ASP 475 CO -0.73 0.67 -0.08 0.44 -1.72 0.00 0.00 179.24 177.82 3k7d h ASP 476 N 0.94 0.98 -0.22 6.45 5.19 -1.66 -0.44 116.42 127.67 3k7d h ASP 476 Ca 0.24 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3k7d h ASP 476 Cb -0.00 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 3k7d h ASP 476 CO -0.04 1.09 0.07 -0.09 -3.12 0.00 0.00 179.24 177.15 3k7d h ARG 477 N 0.86 0.34 -0.57 3.56 2.43 -0.33 0.14 114.38 120.81 3k7d h ARG 477 Ca 0.14 -0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 3k7d h ARG 477 Cb 0.64 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.03 3k7d h ARG 477 CO 0.04 0.42 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.64 3k7d h LYS 478 N 0.19 0.05 -0.10 0.20 3.64 -0.80 -0.77 116.57 118.97 3k7d h LYS 478 Ca 0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3k7d h LYS 478 Cb 0.22 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3k7d h LYS 478 CO -0.00 0.03 -0.01 0.37 -2.27 0.00 0.00 179.45 177.57 3k7d h GLN 479 N 0.05 0.19 -0.76 1.90 5.75 -0.72 -2.12 115.11 119.40 3k7d h GLN 479 Ca 0.28 -0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.84 3k7d h GLN 479 Cb 0.45 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.90 3k7d h GLN 479 CO -0.53 0.47 0.36 0.28 -2.65 0.00 0.00 178.83 176.76 3k7d h VAL 480 N -0.11 0.75 -0.35 2.39 2.07 -0.41 -0.09 116.25 120.49 3k7d h VAL 480 Ca 0.03 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 3k7d h VAL 480 Cb 0.40 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3k7d h VAL 480 CO 0.01 0.10 -0.30 -0.07 0.02 0.00 0.00 177.57 177.33 3k7d h LEU 481 N 0.55 0.87 -0.63 2.57 3.38 -0.98 -2.13 115.31 118.95 3k7d h LEU 481 Ca 0.40 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3k7d h LEU 481 Cb 0.53 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3k7d h LEU 481 CO -0.34 1.15 0.36 0.74 0.09 0.00 0.00 178.44 180.44 3k7d h THR 482 N 0.61 1.01 -0.38 0.22 2.02 -0.81 -1.31 112.91 114.27 3k7d h THR 482 Ca 0.06 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3k7d h THR 482 Cb 0.88 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3k7d h THR 482 CO 0.08 0.13 0.25 -0.07 0.37 0.00 0.00 175.52 176.27 3k7d h LEU 483 N 0.69 0.45 -0.11 2.58 3.38 -0.62 0.24 115.31 121.92 3k7d h LEU 483 Ca 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3k7d h LEU 483 Cb 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k7d h LEU 483 CO -0.15 0.33 0.05 0.40 0.09 0.00 0.00 178.44 179.16 3k7d h ILE 484 N 0.51 1.14 -0.42 1.22 2.04 -1.30 -1.08 117.51 119.63 3k7d h ILE 484 Ca 0.14 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3k7d h ILE 484 Cb -0.04 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3k7d h ILE 484 CO -0.03 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.37 3k7d h ALA 485 N 0.90 0.48 -0.88 1.87 0.00 -0.76 -1.26 119.26 119.61 3k7d h ALA 485 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k7d h ALA 485 Cb 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3k7d h ALA 485 CO -0.00 -0.27 0.50 -0.44 0.00 0.00 0.00 179.25 179.04 3k7d h ASP 486 N 0.28 1.08 0.00 0.00 3.32 -0.32 -1.47 116.42 119.31 3k7d h ASP 486 Ca 0.20 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3k7d h ASP 486 Cb 0.21 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3k7d h ASP 486 CO -0.22 0.86 -0.00 0.15 -1.72 0.00 0.00 179.24 178.30 3k7d h PHE 487 N 1.22 -0.01 -0.71 4.55 3.57 -0.76 -2.84 116.94 121.96 3k7d h PHE 487 Ca 0.31 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.87 3k7d h PHE 487 Cb -0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3k7d h PHE 487 CO 0.01 0.21 0.47 -0.09 -2.23 0.00 0.00 178.31 176.67 3k7d h ARG 488 N -0.22 0.73 -0.19 1.11 2.43 -0.80 -0.96 114.38 116.48 3k7d h ARG 488 Ca -0.00 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3k7d h ARG 488 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3k7d h ARG 488 CO 0.00 0.48 -0.11 0.87 -1.51 0.00 0.00 179.97 179.70 3k7d h LYS 489 N 0.75 0.30 -0.57 0.20 1.57 -1.17 -2.76 116.57 114.90 3k7d h LYS 489 Ca 0.31 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3k7d h LYS 489 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3k7d h LYS 489 CO -0.10 0.42 0.20 0.93 -0.57 0.00 0.00 179.45 180.34 3k7d h GLU 490 N 0.29 0.87 -0.66 3.15 4.39 -0.94 -1.79 114.58 119.89 3k7d h GLU 490 Ca 0.06 -0.17 0.12 0.00 0.34 0.00 0.00 59.36 59.71 3k7d h GLU 490 Cb 0.38 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 3k7d h GLU 490 CO 0.02 0.76 0.19 -0.07 -1.16 0.00 0.00 179.01 178.75 3k7d h LEU 491 N 0.79 0.10 -1.20 1.33 3.38 -1.33 1.04 115.31 119.42 3k7d h LEU 491 Ca 0.19 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 3k7d h LEU 491 Cb 0.24 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3k7d h LEU 491 CO -0.01 0.04 -0.31 0.44 0.09 0.00 0.00 178.44 178.69 3k7d h ASP 492 N 0.33 0.15 0.19 -0.43 5.19 -1.44 -2.63 116.42 117.77 3k7d h ASP 492 Ca 0.35 -0.05 -0.31 0.00 -0.62 0.00 0.00 57.03 56.40 3k7d h ASP 492 Cb 0.53 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.01 3k7d h ASP 492 CO -0.41 0.46 -1.49 0.50 -3.12 0.00 0.00 179.24 175.18 3k7d h LYS 493 N 0.14 0.40 0.00 3.56 3.64 -0.15 -3.23 116.57 120.92 3k7d h LYS 493 Ca 0.02 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 3k7d h LYS 493 Cb 0.62 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3k7d h LYS 493 CO 0.05 1.32 0.00 0.54 -2.27 0.00 0.00 179.45 179.09 3k7d n ARG 494 N -3.76 1.00 -3.90 1.90 1.74 0.34 -4.93 116.66 109.05 3k7d n ARG 494 Ca -0.21 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.58 3k7d n ARG 494 Cb 1.02 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.76 -1.42 -2.27 0.55 5.66 -0.99 -4.90 114.28 110.15 3k7d n THR 495 Ca 0.12 -0.37 -0.33 0.00 -3.05 0.00 0.00 64.05 60.43 3k7d n THR 495 Cb 0.06 -1.23 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 3k7d n THR 495 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3k7d s ILE 496 N -4.01 4.09 0.93 1.09 -5.25 -1.23 -5.05 121.20 111.77 3k7d s ILE 496 Ca 0.24 1.05 -0.16 0.00 -0.99 0.00 0.00 60.65 60.79 3k7d s ILE 496 Cb -0.13 -3.52 0.22 0.00 2.95 0.00 0.00 42.46 41.97 3k7d s ILE 496 CO 0.64 -0.53 1.11 0.61 -1.79 0.00 0.00 174.94 174.99 3k7d n GLY 497 N -1.08 -1.82 0.27 6.27 0.00 -1.26 -4.78 105.19 102.78 3k7d n GLY 497 Ca 0.08 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 0.92 0.28 1.61 0.13 -1.99 -2.01 132.00 130.94 3k7d h PRO 498 Ca -0.38 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 3k7d h PRO 498 Cb 1.06 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3k7d h PRO 498 CO 0.26 0.93 -0.13 -0.09 -0.23 0.00 0.00 178.00 178.74 3k7d h ARG 499 N 0.80 -0.36 -0.63 0.86 9.65 -1.99 -1.19 114.38 121.51 3k7d h ARG 499 Ca 0.15 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.19 3k7d h ARG 499 Cb 0.50 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.06 3k7d h ARG 499 CO 0.02 -0.19 -0.01 0.78 2.80 0.00 0.00 179.97 183.37 3k7d h GLY 500 N -0.44 0.66 1.75 2.80 0.00 -1.91 -0.94 103.07 104.98 3k7d h GLY 500 Ca -0.04 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3k7d h GLY 500 CO 0.06 -0.21 -0.32 3.21 0.00 0.00 0.00 176.54 179.28 3k7d h ARG 501 N 0.10 0.29 0.27 4.80 3.08 -1.05 0.94 114.38 122.81 3k7d h ARG 501 Ca 0.33 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3k7d h ARG 501 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3k7d h ARG 501 CO -0.55 0.59 -0.13 0.37 -1.07 0.00 0.00 179.97 179.17 3k7d h GLN 502 N 0.25 -0.35 -0.58 0.04 4.15 -0.54 -1.48 115.11 116.61 3k7d h GLN 502 Ca 0.03 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.49 3k7d h GLN 502 Cb 0.70 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 3k7d h GLN 502 CO 0.05 -0.04 0.37 0.28 -1.93 0.00 0.00 178.83 177.56 3k7d h VAL 503 N -0.66 1.11 -0.39 2.39 2.07 -0.94 -1.85 116.25 117.97 3k7d h VAL 503 Ca -0.04 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3k7d h VAL 503 Cb 0.47 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3k7d h VAL 503 CO 0.06 0.13 0.24 -0.07 0.02 0.00 0.00 177.57 177.95 3k7d h LEU 504 N 0.74 0.39 -2.00 2.57 3.38 -0.77 0.44 115.31 120.06 3k7d h LEU 504 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3k7d h LEU 504 Cb -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3k7d h LEU 504 CO -0.07 0.28 -0.03 0.44 0.09 0.00 0.00 178.44 179.15 3k7d h ASP 505 N 0.48 0.00 0.14 -0.43 3.32 -1.04 0.27 116.42 119.16 3k7d h ASP 505 Ca 0.15 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 3k7d h ASP 505 Cb -0.01 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.57 3k7d h ASP 505 CO -0.06 0.03 -1.01 -0.74 -1.72 0.00 0.00 179.24 175.74 3k7d h HIS 506 N 0.00 0.75 0.02 4.55 -0.00 -0.38 -3.39 115.15 116.70 3k7d h HIS 506 Ca -0.00 -0.51 -0.21 0.00 -0.00 0.00 0.00 60.37 59.65 3k7d h HIS 506 Cb 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3k7d h HIS 506 CO 0.00 1.37 -0.96 1.25 -0.00 0.00 0.00 177.93 179.59 3k7d h LEU 507 N -0.09 0.16 -0.24 0.26 5.85 0.63 -3.37 115.31 118.51 3k7d h LEU 507 Ca -0.17 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.29 3k7d h LEU 507 Cb 1.76 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 3k7d h LEU 507 CO 0.19 1.03 -0.31 0.24 -0.34 0.00 0.00 178.44 179.25 3k7d h MET 508 N 0.05 0.64 -0.93 1.25 2.86 -0.68 0.43 114.93 118.55 3k7d h MET 508 Ca -0.04 -0.37 0.12 0.00 -2.06 0.00 0.00 59.70 57.36 3k7d h MET 508 Cb 1.65 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 33.25 3k7d h MET 508 CO 0.14 0.97 0.55 -1.35 1.06 0.00 0.00 176.91 178.29 3k7d h PRO 509 N 0.35 0.83 -0.21 -0.22 0.11 -1.76 0.14 132.00 131.24 3k7d h PRO 509 Ca 0.03 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3k7d h PRO 509 Cb 0.89 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 3k7d h PRO 509 CO 0.07 0.55 -0.23 0.45 -0.21 0.00 0.00 178.00 178.63 3k7d h HIS 510 N 0.85 0.65 -0.28 0.65 3.86 -1.61 -2.12 115.15 117.15 3k7d h HIS 510 Ca 0.47 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3k7d h HIS 510 Cb 0.52 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3k7d h HIS 510 CO -0.03 0.89 0.08 1.25 0.86 0.00 0.00 177.93 180.98 3k7d h LEU 511 N 0.22 0.41 -1.62 2.43 6.46 -0.45 -2.01 115.31 120.74 3k7d h LEU 511 Ca 0.03 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 3k7d h LEU 511 Cb 0.79 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 3k7d h LEU 511 CO 0.06 0.51 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.25 3k7d h LEU 512 N 0.28 0.14 -0.99 2.25 3.38 -0.74 -2.08 115.31 117.55 3k7d h LEU 512 Ca 0.09 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3k7d h LEU 512 Cb 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3k7d h LEU 512 CO -0.00 0.24 -0.44 0.77 0.09 0.00 0.00 178.44 179.09 3k7d h SER 513 N 0.15 0.14 0.04 -0.43 4.64 -0.65 0.55 113.55 117.99 3k7d h SER 513 Ca 0.03 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3k7d h SER 513 Cb 0.23 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3k7d h SER 513 CO 0.01 0.57 -0.02 -0.78 -0.87 0.00 0.00 176.83 175.74 3k7d h ASP 514 N 0.11 -0.04 0.03 4.97 1.82 -1.27 -3.30 116.42 118.73 3k7d h ASP 514 Ca 0.01 -0.55 -0.00 0.00 -0.39 0.00 0.00 57.03 56.09 3k7d h ASP 514 Cb 0.83 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.85 3k7d h ASP 514 CO 0.06 0.70 -0.01 0.58 -1.61 0.00 0.00 179.24 178.96 3k7d h VAL 515 N -0.96 1.10 0.00 2.25 2.07 -1.34 -3.15 116.25 116.22 3k7d h VAL 515 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3k7d h VAL 515 Cb 0.59 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3k7d h VAL 515 CO 0.01 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3k7d h ALA 517 N 2.35 1.00 -2.59 0.00 0.00 -1.62 -3.45 119.26 114.95 3k7d h ALA 517 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3k7d h ALA 517 Cb 0.71 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.56 3k7d h ALA 517 CO 0.00 0.00 0.44 1.03 0.00 0.00 0.00 179.25 180.72 3k7d s ARG 518 N -3.13 3.63 0.30 0.00 0.52 -0.85 -4.93 118.95 114.48 3k7d s ARG 518 Ca 0.10 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 3k7d s ARG 518 Cb 0.12 -2.21 0.52 0.00 0.52 0.00 0.00 34.95 33.90 3k7d s ARG 518 CO 0.58 -0.63 1.92 0.93 0.02 0.00 0.00 175.30 178.13 3k7d h GLU 519 N 1.66 1.01 -1.03 3.54 5.08 -1.88 -2.31 114.58 120.65 3k7d h GLU 519 Ca -0.50 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 57.57 3k7d h GLU 519 Cb 1.25 -0.23 -0.14 0.00 0.50 0.00 0.00 28.75 30.13 3k7d h GLU 519 CO 0.59 0.67 0.30 -0.40 -1.00 0.00 0.00 179.01 179.16 3k7d n ASP 520 N -4.47 3.50 -0.27 1.42 5.68 -1.26 -4.67 116.55 116.48 3k7d n ASP 520 Ca 0.13 -2.73 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 3k7d n ASP 520 Cb 0.16 -0.67 0.07 0.00 -1.14 0.00 0.00 41.12 39.54 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 1.55 0.36 -0.03 2.12 0.00 -1.61 -1.48 119.26 120.18 3k7d h ALA 521 Ca 0.28 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 3k7d h ALA 521 Cb 1.78 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 3k7d h ALA 521 CO 0.50 -0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.27 3k7d h ALA 522 N 1.57 0.04 -0.12 0.00 0.00 -1.85 0.11 119.26 119.00 3k7d h ALA 522 Ca 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k7d h ALA 522 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3k7d h ALA 522 CO -0.79 -0.29 0.06 0.28 0.00 0.00 0.00 179.25 178.51 3k7d h VAL 523 N -0.27 1.12 -0.43 0.00 2.07 -1.94 -2.62 116.25 114.19 3k7d h VAL 523 Ca 0.01 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3k7d h VAL 523 Cb 0.34 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3k7d h VAL 523 CO 0.00 0.11 0.25 0.74 0.02 0.00 0.00 177.57 178.69 3k7d h THR 524 N 0.07 1.03 -0.28 2.57 2.02 -1.08 -1.64 112.91 115.60 3k7d h THR 524 Ca 0.04 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3k7d h THR 524 Cb 0.12 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3k7d h THR 524 CO -0.01 0.09 -0.03 0.25 0.37 0.00 0.00 175.52 176.20 3k7d h LEU 525 N 0.50 0.41 -0.93 2.58 5.85 -0.81 -1.24 115.31 121.66 3k7d h LEU 525 Ca 0.17 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3k7d h LEU 525 Cb 0.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3k7d h LEU 525 CO -0.08 0.49 0.07 -1.28 -0.34 0.00 0.00 178.44 177.30 3k7d h SER 526 N 0.42 0.81 0.31 1.25 0.87 -0.92 0.63 113.55 116.93 3k7d h SER 526 Ca 0.09 -0.17 -0.21 0.00 -1.23 0.00 0.00 61.79 60.27 3k7d h SER 526 Cb 0.32 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3k7d h SER 526 CO 0.01 0.83 -0.86 0.03 -0.53 0.00 0.00 176.83 176.32 3k7d h ARG 527 N 0.81 0.40 -0.31 2.24 3.08 -0.84 -2.94 114.38 116.82 3k7d h ARG 527 Ca 0.17 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 3k7d h ARG 527 Cb 0.38 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3k7d h ARG 527 CO 0.01 1.05 -0.37 0.82 -1.07 0.00 0.00 179.97 180.42 3k7d h ILE 528 N 0.25 1.29 0.00 2.04 1.08 -0.81 -2.81 117.51 118.55 3k7d h ILE 528 Ca -0.06 -1.55 -0.11 0.00 -0.39 0.00 0.00 64.86 62.75 3k7d h ILE 528 Cb 1.47 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 3k7d h ILE 528 CO 0.15 0.50 -0.53 0.71 -0.69 0.00 0.00 178.15 178.29 3k7d h THR 529 N 0.57 1.18 -0.77 -0.27 1.35 -0.93 0.53 112.91 114.56 3k7d h THR 529 Ca 0.04 -1.96 -0.04 0.00 -0.55 0.00 0.00 66.41 63.91 3k7d h THR 529 Cb 0.96 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 3k7d h THR 529 CO 0.09 0.52 0.33 0.00 -0.25 0.00 0.00 175.52 176.21 3k7d h ALA 530 N 1.47 1.00 0.24 6.62 0.00 -1.52 0.14 119.26 127.21 3k7d h ALA 530 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3k7d h ALA 530 Cb 1.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3k7d h ALA 530 CO 0.07 0.60 -0.11 1.25 0.00 0.00 0.00 179.25 181.06 3k7d h LEU 531 N 1.11 -0.27 -1.13 0.00 6.46 -1.13 -3.04 115.31 117.30 3k7d h LEU 531 Ca 0.26 -0.11 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3k7d h LEU 531 Cb 0.18 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 3k7d h LEU 531 CO -0.03 -0.05 0.59 -0.07 -0.62 0.00 0.00 178.44 178.27 3k7d h LEU 532 N -0.49 0.97 -1.56 2.25 3.38 -0.77 -1.64 115.31 117.45 3k7d h LEU 532 Ca -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3k7d h LEU 532 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k7d h LEU 532 CO 0.05 0.66 -0.23 0.58 0.09 0.00 0.00 178.44 179.60 3k7d h VAL 533 N 1.12 1.10 0.00 1.22 2.07 -0.69 0.10 116.25 121.17 3k7d h VAL 533 Ca 0.36 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 3k7d h VAL 533 Cb 0.04 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3k7d h VAL 533 CO -0.11 0.22 -0.30 1.23 0.02 0.00 0.00 177.57 178.63 3k7d h GLY 534 N 0.74 0.00 -0.32 2.17 0.00 -1.19 -3.30 103.07 101.17 3k7d h GLY 534 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k7d h GLY 534 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.86 3k7d n ILE 535 N -3.33 0.40 0.21 2.60 -6.64 -0.26 -4.66 119.36 107.69 3k7d n ILE 535 Ca 0.01 -0.70 0.09 0.00 -1.77 0.00 0.00 62.75 60.37 3k7d n ILE 535 Cb 0.53 0.84 0.42 0.00 -1.44 0.00 0.00 39.64 39.99 3k7d n ILE 535 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 3k7d n VAL 536 N 0.04 1.19 0.35 7.28 3.14 0.19 -0.34 118.33 130.18 3k7d n VAL 536 Ca 0.03 0.53 0.12 0.00 -2.96 0.00 0.00 64.34 62.06 3k7d n VAL 536 Cb 0.17 -1.50 0.09 0.00 -1.06 0.00 0.00 33.84 31.55 3k7d n VAL 536 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3k7d h THR 537 N 0.00 0.00 -3.67 1.55 2.02 -1.85 -3.43 112.91 107.54 3k7d h THR 537 Ca 0.00 -0.74 -0.78 0.00 0.77 0.00 0.00 66.41 65.66 3k7d h THR 537 Cb 0.10 1.30 -0.26 0.00 -1.74 0.00 0.00 68.15 67.56 3k7d h THR 537 CO 0.00 0.00 0.02 -0.13 0.37 0.00 0.00 175.52 175.78 3k7d s ARG 538 N -3.25 3.46 0.19 6.66 0.52 0.53 -4.95 118.95 122.12 3k7d s ARG 538 Ca 0.03 -2.30 -0.14 0.00 -0.52 0.00 0.00 55.73 52.80 3k7d s ARG 538 Cb 0.11 -4.39 0.20 0.00 0.52 0.00 0.00 34.95 31.39 3k7d s ARG 538 CO 0.75 -1.30 1.67 1.15 0.02 0.00 0.00 175.30 177.59 3k7d h THR 539 N 5.02 0.55 -1.00 0.02 2.02 -1.83 -1.19 112.91 116.51 3k7d h THR 539 Ca 0.02 -0.03 0.20 0.00 0.77 0.00 0.00 66.41 67.37 3k7d h THR 539 Cb 1.05 0.47 -0.10 0.00 -1.74 0.00 0.00 68.15 67.83 3k7d h THR 539 CO 0.81 0.01 0.61 0.71 0.37 0.00 0.00 175.52 178.04 3k7d h THR 540 N 0.08 0.68 -0.20 3.16 1.35 -1.95 0.16 112.91 116.19 3k7d h THR 540 Ca 0.26 -0.24 -0.14 0.00 -0.55 0.00 0.00 66.41 65.74 3k7d h THR 540 Cb 0.40 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 3k7d h THR 540 CO -0.47 0.13 -0.47 1.88 -0.25 0.00 0.00 175.52 176.34 3k7d h TYR 541 N 0.69 0.63 -0.23 4.73 -1.99 -1.57 0.58 116.97 119.81 3k7d h TYR 541 Ca 0.57 -0.20 -0.06 0.00 2.00 0.00 0.00 58.73 61.04 3k7d h TYR 541 Cb 0.99 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 3k7d h TYR 541 CO -0.00 0.89 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.88 3k7d h LEU 542 N 0.41 0.48 -1.13 3.88 3.38 -1.11 -1.95 115.31 119.27 3k7d h LEU 542 Ca 0.02 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.67 3k7d h LEU 542 Cb 0.98 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3k7d h LEU 542 CO 0.09 0.77 0.60 -0.33 0.09 0.00 0.00 178.44 179.66 3k7d h GLU 543 N 0.18 0.98 -0.36 1.13 5.08 -0.39 -1.13 114.58 120.08 3k7d h GLU 543 Ca 0.05 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3k7d h GLU 543 Cb 0.58 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3k7d h GLU 543 CO 0.03 0.65 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.48 3k7d h LEU 544 N 1.01 0.74 -1.45 1.33 3.38 -0.83 -1.34 115.31 118.15 3k7d h LEU 544 Ca 0.41 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 58.17 3k7d h LEU 544 Cb 0.27 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3k7d h LEU 544 CO -0.17 0.96 0.57 -0.07 0.09 0.00 0.00 178.44 179.82 3k7d h LEU 545 N 0.51 0.48 0.21 1.67 4.07 -0.47 -2.70 115.31 119.08 3k7d h LEU 545 Ca 0.08 0.04 -0.34 0.00 0.08 0.00 0.00 57.88 57.75 3k7d h LEU 545 Cb 0.67 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 42.37 3k7d h LEU 545 CO 0.05 0.22 -1.60 0.28 -1.08 0.00 0.00 178.44 176.30 3k7d h SER 546 N 0.50 0.69 0.92 -0.43 0.02 -1.00 -3.33 113.55 110.91 3k7d h SER 546 Ca 0.45 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3k7d h SER 546 Cb 0.96 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3k7d h SER 546 CO -0.18 1.74 0.00 -0.62 -1.14 0.00 0.00 176.83 176.63 3k7d n GLU 547 N -3.68 0.22 -3.62 3.45 -0.58 -0.53 -4.45 120.64 111.46 3k7d n GLU 547 Ca -0.22 0.38 -0.29 0.00 -0.42 0.00 0.00 57.16 56.62 3k7d n GLU 547 Cb 1.07 -1.88 -0.12 0.00 -0.57 0.00 0.00 31.44 29.94 3k7d n GLU 547 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3k7d s PHE 548 N -3.28 1.71 0.30 -0.32 0.08 -1.03 -4.97 117.98 110.47 3k7d s PHE 548 Ca 0.06 -2.31 0.37 0.00 0.12 0.00 0.00 56.93 55.17 3k7d s PHE 548 Cb 0.10 -1.59 1.82 0.00 -0.57 0.00 0.00 43.02 42.78 3k7d s PHE 548 CO 0.45 -0.78 2.13 -1.35 -0.10 0.00 0.00 175.22 175.56 3k7d h PRO 549 N 6.50 0.00 0.14 0.24 0.11 -1.78 -2.27 132.00 134.94 3k7d h PRO 549 Ca 0.06 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.87 3k7d h PRO 549 Cb 0.92 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.06 3k7d h PRO 549 CO 0.44 0.00 -1.28 0.00 -0.21 0.00 0.00 178.00 176.95 3k7d h ALA 550 N 2.02 -0.03 -0.49 -0.75 0.00 -1.93 -1.59 119.26 116.49 3k7d h ALA 550 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 3k7d h ALA 550 Cb 0.24 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3k7d h ALA 550 CO 0.00 0.68 0.03 0.00 0.00 0.00 0.00 179.25 179.96 3k7d h ALA 551 N 0.26 1.14 -0.56 0.00 0.00 -1.55 -2.03 119.26 116.52 3k7d h ALA 551 Ca -0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3k7d h ALA 551 Cb 1.95 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3k7d h ALA 551 CO 0.24 0.56 0.23 1.25 0.00 0.00 0.00 179.25 181.53 3k7d h LEU 552 N 0.74 0.77 -0.86 0.00 5.85 -1.48 -1.21 115.31 119.13 3k7d h LEU 552 Ca 0.15 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3k7d h LEU 552 Cb 0.41 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3k7d h LEU 552 CO 0.01 0.73 0.56 0.50 -0.34 0.00 0.00 178.44 179.91 3k7d h LYS 553 N 0.76 1.09 -0.02 1.25 3.64 -0.99 -1.04 116.57 121.26 3k7d h LYS 553 Ca 0.19 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 3k7d h LYS 553 Cb 0.20 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3k7d h LYS 553 CO -0.02 0.72 -0.86 0.45 -2.27 0.00 0.00 179.45 177.48 3k7d h HIS 554 N 1.13 0.51 -0.40 1.91 3.86 -1.19 -1.23 115.15 119.74 3k7d h HIS 554 Ca 0.33 -0.26 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3k7d h HIS 554 Cb -0.06 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.28 3k7d h HIS 554 CO -0.02 1.06 -0.01 1.25 0.86 0.00 0.00 177.93 181.07 3k7d h LEU 555 N 0.21 -0.18 -0.04 2.43 7.12 -0.80 0.12 115.31 124.17 3k7d h LEU 555 Ca -0.06 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 3k7d h LEU 555 Cb 1.47 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.77 3k7d h LEU 555 CO 0.14 -0.05 -0.05 0.40 -0.13 0.00 0.00 178.44 178.75 3k7d h ILE 556 N 0.10 1.39 -0.50 4.05 2.04 -1.05 -1.66 117.51 121.88 3k7d h ILE 556 Ca 0.19 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.89 3k7d h ILE 556 Cb 0.28 2.14 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 3k7d h ILE 556 CO -0.33 0.34 -0.34 -1.28 0.00 0.00 0.00 178.15 176.53 3k7d h SER 557 N -0.37 -1.17 -0.49 1.72 0.87 -1.14 -1.27 113.55 111.70 3k7d h SER 557 Ca 0.01 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3k7d h SER 557 Cb 0.57 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3k7d h SER 557 CO 0.01 -0.32 0.22 -0.07 -0.53 0.00 0.00 176.83 176.15 3k7d h LEU 558 N -0.21 0.65 -1.01 2.23 3.38 -0.89 -2.33 115.31 117.12 3k7d h LEU 558 Ca 0.20 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3k7d h LEU 558 Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3k7d h LEU 558 CO -0.62 0.61 -0.19 0.00 0.09 0.00 0.00 178.44 178.33 3k7d h ALA 560 N 1.36 1.13 0.00 0.00 0.00 -1.08 -3.21 119.26 117.45 3k7d h ALA 560 Ca 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3k7d h ALA 560 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k7d h ALA 560 CO 0.04 0.56 -0.44 0.00 0.00 0.00 0.00 179.25 179.41 3k7d h ALA 561 N 1.28 0.78 -0.99 0.00 0.00 -0.81 -3.46 119.26 116.07 3k7d h ALA 561 Ca 0.15 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3k7d h ALA 561 Cb 0.43 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.00 3k7d h ALA 561 CO 0.02 0.32 -0.27 0.45 0.00 0.00 0.00 179.25 179.77 3k7d s SER 562 N -6.16 -1.38 0.51 0.00 0.15 -0.54 -4.93 113.70 101.35 3k7d s SER 562 Ca 0.04 0.85 0.25 0.00 0.70 0.00 0.00 55.95 57.78 3k7d s SER 562 Cb 0.07 2.15 1.36 0.00 -1.71 0.00 0.00 66.02 67.89 3k7d s SER 562 CO 0.73 -0.26 2.06 1.55 1.20 0.00 0.00 173.24 178.52 3k7d h PRO 563 N 8.00 0.00 0.04 5.44 0.13 -1.73 -1.63 132.00 142.25 3k7d h PRO 563 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3k7d h PRO 563 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3k7d h PRO 563 CO 0.25 0.13 -0.04 1.98 -0.23 0.00 0.00 178.00 180.09 3k7d h MET 564 N 0.00 -0.08 -0.36 0.86 4.05 -1.75 0.22 114.93 117.87 3k7d h MET 564 Ca -0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3k7d h MET 564 Cb 0.33 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3k7d h MET 564 CO 0.02 -0.06 0.14 0.82 0.23 0.00 0.00 176.91 178.06 3k7d h ILE 565 N -0.09 1.19 -0.31 1.77 2.04 -1.77 -0.84 117.51 119.50 3k7d h ILE 565 Ca 0.00 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.32 3k7d h ILE 565 Cb 0.08 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3k7d h ILE 565 CO -0.01 0.21 -0.12 0.00 0.00 0.00 0.00 178.15 178.24 3k7d h ALA 566 N 0.98 0.15 -0.91 1.87 0.00 -1.02 -0.29 119.26 120.03 3k7d h ALA 566 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3k7d h ALA 566 Cb 0.20 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3k7d h ALA 566 CO -0.01 -0.50 0.60 0.77 0.00 0.00 0.00 179.25 180.10 3k7d h SER 567 N -0.06 1.00 -0.25 0.00 0.02 -0.37 -0.05 113.55 113.85 3k7d h SER 567 Ca 0.16 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3k7d h SER 567 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3k7d h SER 567 CO -0.35 0.70 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.40 3k7d h GLN 568 N 1.17 0.46 0.00 3.45 4.15 0.06 0.19 115.11 124.59 3k7d h GLN 568 Ca 0.35 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 3k7d h GLN 568 Cb -0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3k7d h GLN 568 CO -0.11 0.66 -0.31 -0.07 -1.93 0.00 0.00 178.83 177.08 3k7d h LEU 569 N 0.22 0.00 -0.34 -2.39 3.38 -0.86 0.42 115.31 115.73 3k7d h LEU 569 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3k7d h LEU 569 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k7d h LEU 569 CO 0.02 0.31 -0.61 0.00 0.09 0.00 0.00 178.44 178.25 3k7d h ALA 570 N 1.69 0.51 -0.03 1.53 0.00 -0.64 -3.14 119.26 119.19 3k7d h ALA 570 Ca -0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 3k7d h ALA 570 Cb 0.70 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3k7d h ALA 570 CO 0.04 0.69 -0.90 -0.09 0.00 0.00 0.00 179.25 178.99 3k7d h ARG 571 N 0.54 0.66 -2.34 0.00 2.43 0.59 -3.38 114.38 112.89 3k7d h ARG 571 Ca -0.00 -0.67 -0.60 0.00 -0.81 0.00 0.00 59.98 57.89 3k7d h ARG 571 Cb 1.20 0.18 -0.42 0.00 -0.42 0.00 0.00 29.97 30.51 3k7d h ARG 571 CO 0.12 1.27 -0.60 0.66 -1.51 0.00 0.00 179.97 179.92 3k7d n TYR 572 N -3.95 3.53 0.33 2.20 4.01 0.13 -4.95 117.16 118.46 3k7d n TYR 572 Ca -0.10 -4.17 0.22 0.00 -0.16 0.00 0.00 57.90 53.68 3k7d n TYR 572 Cb 0.81 -0.57 1.14 0.00 -0.31 0.00 0.00 39.34 40.42 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 4.37 0.00 0.00 -0.72 0.13 -1.73 -1.36 132.00 132.70 3k7d h PRO 573 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3k7d h PRO 573 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3k7d h PRO 573 CO 0.81 0.00 0.00 1.47 -0.23 0.00 0.00 178.00 180.06 3k7d n LEU 574 N -3.16 0.00 0.00 1.56 -0.00 -1.26 -0.98 117.00 113.16 3k7d n LEU 574 Ca -0.03 0.42 0.08 0.00 -0.00 0.00 0.00 56.01 56.49 3k7d n LEU 574 Cb 0.10 -0.42 0.36 0.00 -0.00 0.00 0.00 43.42 43.45 3k7d n LEU 574 CO 0.21 -0.36 0.77 0.18 -0.00 0.00 0.00 177.39 178.19 3k7d n LEU 575 N -1.42 0.02 0.31 1.47 4.77 -0.51 -3.22 117.00 118.42 3k7d n LEU 575 Ca 0.01 0.50 0.18 0.00 -0.03 0.00 0.00 56.01 56.68 3k7d n LEU 575 Cb 0.04 -0.50 1.02 0.00 -2.33 0.00 0.00 43.42 41.65 3k7d n LEU 575 CO 0.04 -0.22 1.13 -0.07 -1.33 0.00 0.00 177.39 176.94 3k7d h LEU 576 N 0.00 0.00 -0.85 2.23 3.38 -1.30 0.18 115.31 118.95 3k7d h LEU 576 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 3k7d h LEU 576 Cb 0.29 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 3k7d h LEU 576 CO 0.00 0.01 -0.06 -0.78 0.09 0.00 0.00 178.44 177.70 3k7d h ASP 577 N 0.00 -0.53 -0.12 -0.43 3.58 -1.80 -0.84 116.42 116.28 3k7d h ASP 577 Ca -0.00 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3k7d h ASP 577 Cb 0.06 0.44 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3k7d h ASP 577 CO 0.00 -0.26 0.05 -0.33 -2.88 0.00 0.00 179.24 175.83 3k7d h GLU 578 N 0.05 0.22 0.00 0.28 4.39 -0.92 -2.60 114.58 116.01 3k7d h GLU 578 Ca 0.46 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.14 3k7d h GLU 578 Cb 0.81 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3k7d h GLU 578 CO -0.80 0.20 0.00 1.28 -1.16 0.00 0.00 179.01 178.53 3k7d n LEU 579 N -4.45 0.00 -0.34 1.33 4.77 -0.32 -2.90 117.00 115.09 3k7d n LEU 579 Ca -0.01 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3k7d n LEU 579 Cb 0.12 -0.32 0.47 0.00 -2.33 0.00 0.00 43.42 41.37 3k7d n LEU 579 CO 0.35 -0.06 0.82 0.18 -1.33 0.00 0.00 177.39 177.36 3k7d n LEU 580 N -1.32 1.02 -3.31 2.23 4.77 -0.98 -3.98 117.00 115.43 3k7d n LEU 580 Ca 0.11 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 3k7d n LEU 580 Cb 0.21 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3k7d n LEU 580 CO 0.19 0.21 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.73 3k7d s ASP 581 N -1.62 0.58 0.63 -1.43 2.15 -1.14 -4.99 116.67 110.85 3k7d s ASP 581 Ca 0.32 -1.52 0.33 0.00 0.43 0.00 0.00 52.55 52.11 3k7d s ASP 581 Cb 0.16 0.83 1.84 0.00 -0.30 0.00 0.00 42.92 45.46 3k7d s ASP 581 CO 0.26 -0.23 2.11 -0.65 -0.17 0.00 0.00 175.17 176.49 3k7d h PRO 582 N 6.88 0.00 -0.03 4.34 0.11 -1.81 -0.07 132.00 141.43 3k7d h PRO 582 Ca 0.06 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 3k7d h PRO 582 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3k7d h PRO 582 CO 0.18 0.00 -0.54 -0.91 -0.21 0.00 0.00 178.00 176.52 3k7d h ASN 583 N 0.00 0.09 0.02 -2.05 2.35 -1.95 -3.10 115.58 110.94 3k7d h ASN 583 Ca 0.04 -0.05 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 3k7d h ASN 583 Cb 0.44 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 3k7d h ASN 583 CO -0.00 0.61 -2.25 0.35 -1.65 0.00 0.00 177.43 174.49 3k7d n THR 584 N -3.90 0.97 -0.17 2.81 -2.24 -0.58 -3.58 114.28 107.58 3k7d n THR 584 Ca -0.02 -0.75 0.07 0.00 -2.27 0.00 0.00 64.05 61.09 3k7d n THR 584 Cb 0.56 -0.33 0.37 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.62 -0.67 3.22 5.85 -1.08 -3.11 115.31 120.16 3k7d h LEU 585 Ca -0.38 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3k7d h LEU 585 Cb 1.86 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3k7d h LEU 585 CO 0.02 0.40 -0.19 -1.22 -0.34 0.00 0.00 178.44 177.11 3k7d n TYR 586 N -4.48 0.00 -3.67 1.25 4.01 -1.17 -4.39 117.16 108.70 3k7d n TYR 586 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 3k7d n TYR 586 Cb 0.26 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.27 2.25 1.01 -0.72 -0.21 -1.17 -4.53 119.66 115.03 3k7d s GLN 587 Ca 0.07 -1.86 -0.12 0.00 0.02 0.00 0.00 55.36 53.47 3k7d s GLN 587 Cb 0.07 -3.75 0.20 0.00 1.00 0.00 0.00 33.01 30.53 3k7d s GLN 587 CO 0.22 -1.13 1.09 -1.25 -2.12 0.00 0.00 175.29 172.10 3k7d s PRO 588 N 1.14 0.29 0.20 2.91 0.05 -1.26 -4.73 135.00 133.59 3k7d s PRO 588 Ca 0.08 0.51 -0.30 0.00 0.05 0.00 0.00 61.00 61.33 3k7d s PRO 588 Cb -0.24 -1.72 -0.09 0.00 0.05 0.00 0.00 34.50 32.50 3k7d s PRO 588 CO -0.03 -2.82 1.32 0.99 0.05 0.00 0.00 177.00 176.51 3k7d s THR 589 N -2.95 3.19 0.11 1.26 2.01 -1.26 -4.91 115.64 113.09 3k7d s THR 589 Ca 0.66 0.97 -0.35 0.00 0.31 0.00 0.00 61.69 63.28 3k7d s THR 589 Cb -0.19 -3.62 -0.18 0.00 0.01 0.00 0.00 72.50 68.52 3k7d s THR 589 CO 0.58 0.14 1.00 0.00 -0.69 0.00 0.00 174.62 175.65 3k7d n ALA 590 N 2.68 -2.28 0.15 7.40 0.00 -1.26 -4.83 120.51 122.38 3k7d n ALA 590 Ca 0.06 0.51 0.19 0.00 0.00 0.00 0.00 53.44 54.20 3k7d n ALA 590 Cb 0.43 -1.84 0.79 0.00 0.00 0.00 0.00 19.45 18.82 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 2.47 0.39 -0.54 0.00 1.35 -1.99 -0.37 112.91 114.22 3k7d h THR 591 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3k7d h THR 591 Cb 1.39 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3k7d h THR 591 CO 0.66 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 3k7d n ASP 592 N -3.69 5.08 0.00 5.36 5.75 -1.26 -4.38 116.55 123.41 3k7d n ASP 592 Ca 0.04 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 3k7d n ASP 592 Cb 0.48 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.57 1.61 -0.34 2.12 0.00 -0.15 -4.75 120.51 119.58 3k7d n ALA 593 Ca 0.26 -0.65 0.02 0.00 0.00 0.00 0.00 53.44 53.07 3k7d n ALA 593 Cb 1.04 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.67 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 1.16 -0.25 0.00 0.05 -1.76 0.44 116.97 116.60 3k7d h TYR 594 Ca 0.00 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 3k7d h TYR 594 Cb 0.52 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 3k7d h TYR 594 CO 0.00 0.64 -0.27 0.00 -1.05 0.00 0.00 178.16 177.49 3k7d h ARG 595 N 1.17 0.62 -0.64 4.88 3.08 -1.92 -2.09 114.38 119.48 3k7d h ARG 595 Ca 0.39 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3k7d h ARG 595 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3k7d h ARG 595 CO -0.13 0.94 0.28 -0.44 -1.07 0.00 0.00 179.97 179.54 3k7d h ASP 596 N 0.33 0.87 -0.62 7.04 3.32 -1.82 -1.26 116.42 124.28 3k7d h ASP 596 Ca 0.04 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3k7d h ASP 596 Cb 0.83 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 3k7d h ASP 596 CO 0.07 0.78 0.20 -0.33 -1.72 0.00 0.00 179.24 178.24 3k7d h GLU 597 N 0.90 0.97 -0.67 3.56 4.39 -0.90 -1.94 114.58 120.88 3k7d h GLU 597 Ca 0.22 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3k7d h GLU 597 Cb 0.17 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3k7d h GLU 597 CO -0.02 0.85 0.43 1.25 -1.16 0.00 0.00 179.01 180.36 3k7d h LEU 598 N 0.89 0.74 -0.79 1.33 5.85 -1.16 0.45 115.31 122.62 3k7d h LEU 598 Ca 0.20 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3k7d h LEU 598 Cb 0.28 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3k7d h LEU 598 CO -0.01 0.53 0.47 0.03 -0.34 0.00 0.00 178.44 179.12 3k7d h ARG 599 N 0.88 0.81 0.01 1.25 3.08 -0.81 0.19 114.38 119.79 3k7d h ARG 599 Ca 0.25 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 60.04 3k7d h ARG 599 Cb -0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3k7d h ARG 599 CO -0.07 0.54 -1.02 0.37 -1.07 0.00 0.00 179.97 178.72 3k7d h GLN 600 N 0.83 0.03 0.00 0.04 5.75 -1.02 -2.68 115.11 118.07 3k7d h GLN 600 Ca 0.36 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.74 3k7d h GLN 600 Cb 0.23 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3k7d h GLN 600 CO -0.20 1.02 -0.35 -0.92 -2.65 0.00 0.00 178.83 175.73 3k7d h TYR 601 N 0.01 0.00 -0.00 3.99 3.20 -0.06 -2.96 116.97 121.15 3k7d h TYR 601 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3k7d h TYR 601 Cb 1.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3k7d h TYR 601 CO 0.01 0.35 -0.21 1.28 -1.64 0.00 0.00 178.16 177.95 3k7d n LEU 602 N -3.66 0.68 -0.09 2.82 4.77 -0.03 -4.44 117.00 117.06 3k7d n LEU 602 Ca -0.01 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 3k7d n LEU 602 Cb 0.46 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3k7d n LEU 602 CO 0.36 0.13 0.82 -0.07 -1.33 0.00 0.00 177.39 177.31 3k7d h LEU 603 N 0.75 -0.24 -1.02 2.23 3.38 -1.37 -1.91 115.31 117.14 3k7d h LEU 603 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k7d h LEU 603 Cb 0.44 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k7d h LEU 603 CO 0.00 -0.08 0.00 -2.11 0.09 0.00 0.00 178.44 176.34 3k7d n ARG 604 N -5.23 0.15 -3.13 1.13 1.85 -1.26 -4.79 116.66 105.37 3k7d n ARG 604 Ca 0.01 0.54 -0.39 0.00 -1.00 0.00 0.00 57.85 57.00 3k7d n ARG 604 Cb 0.18 -1.88 -0.05 0.00 -1.05 0.00 0.00 32.46 29.66 3k7d n ARG 604 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k7d s VAL 605 N -3.41 5.08 -0.07 8.89 1.01 -0.72 -4.99 120.40 126.19 3k7d s VAL 605 Ca 0.01 1.25 -0.35 0.00 0.00 0.00 0.00 61.98 62.89 3k7d s VAL 605 Cb 0.07 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 3k7d s VAL 605 CO 0.26 0.24 1.83 -2.65 0.00 0.00 0.00 175.10 174.78 3k7d n PRO 606 N 4.04 2.10 0.18 2.72 -0.02 -1.26 -4.83 135.00 137.92 3k7d n PRO 606 Ca -0.03 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.36 3k7d n PRO 606 Cb 0.51 -2.59 0.52 0.00 -0.02 0.00 0.00 33.50 31.92 3k7d n PRO 606 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k7d h GLU 607 N 8.65 0.00 -0.01 -0.52 4.57 -1.94 -2.70 114.58 122.64 3k7d h GLU 607 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3k7d h GLU 607 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3k7d h GLU 607 CO 0.94 0.00 -0.00 -0.40 -1.18 0.00 0.00 179.01 178.37 3k7d n ASP 608 N -2.54 0.52 -4.00 1.04 5.75 -1.26 -4.76 116.55 111.29 3k7d n ASP 608 Ca 0.02 -1.16 -0.31 0.00 -0.01 0.00 0.00 54.79 53.33 3k7d n ASP 608 Cb 0.30 -0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 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 -2.01 4.65 0.15 -1.12 -1.08 -1.02 -4.98 116.67 111.26 3k7d s ASP 609 Ca 0.44 -2.46 -0.22 0.00 -0.52 0.00 0.00 52.55 49.79 3k7d s ASP 609 Cb 0.22 -1.65 0.02 0.00 -1.46 0.00 0.00 42.92 40.05 3k7d s ASP 609 CO 0.36 -0.34 1.64 -0.08 0.52 0.00 0.00 175.17 177.27 3k7d h GLU 610 N 7.24 -0.22 -0.91 4.34 4.81 -1.86 -0.73 114.58 127.24 3k7d h GLU 610 Ca -0.06 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3k7d h GLU 610 Cb 0.98 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3k7d h GLU 610 CO 0.59 -0.15 0.53 1.49 -0.73 0.00 0.00 179.01 180.74 3k7d h GLU 611 N -0.23 1.25 -0.21 1.92 4.81 -1.97 0.14 114.58 120.29 3k7d h GLU 611 Ca 0.13 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3k7d h GLU 611 Cb 0.43 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3k7d h GLU 611 CO -0.36 0.89 -0.33 1.96 -0.73 0.00 0.00 179.01 180.45 3k7d h GLN 612 N 1.27 0.59 -0.32 1.92 4.20 -1.83 -1.24 115.11 119.69 3k7d h GLN 612 Ca 0.33 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.75 3k7d h GLN 612 Cb -0.02 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3k7d h GLN 612 CO -0.06 0.96 -0.10 1.96 -0.67 0.00 0.00 178.83 180.92 3k7d h GLN 613 N 0.27 -0.03 -0.23 1.46 1.08 -0.75 0.15 115.11 117.06 3k7d h GLN 613 Ca 0.02 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 3k7d h GLN 613 Cb 0.91 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.30 3k7d h GLN 613 CO 0.07 -0.02 -0.07 -0.07 -0.95 0.00 0.00 178.83 177.80 3k7d h LEU 614 N -0.03 -0.25 -0.95 1.46 4.07 -0.64 -2.10 115.31 116.88 3k7d h LEU 614 Ca 0.16 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 3k7d h LEU 614 Cb 0.27 0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 3k7d h LEU 614 CO -0.35 -0.09 0.25 -0.08 -1.08 0.00 0.00 178.44 177.10 3k7d h GLU 615 N -0.02 1.02 -0.76 1.13 4.57 -0.75 -2.51 114.58 117.26 3k7d h GLU 615 Ca 0.11 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3k7d h GLU 615 Cb 0.19 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3k7d h GLU 615 CO -0.24 0.84 0.30 0.00 -1.18 0.00 0.00 179.01 178.73 3k7d h ALA 616 N 1.28 1.10 -0.71 2.92 0.00 -0.71 -0.10 119.26 123.04 3k7d h ALA 616 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3k7d h ALA 616 Cb 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3k7d h ALA 616 CO -0.02 0.64 0.20 -0.07 0.00 0.00 0.00 179.25 180.00 3k7d h LEU 617 N 1.10 1.05 -0.53 0.00 3.38 -1.06 0.39 115.31 119.64 3k7d h LEU 617 Ca 0.25 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3k7d h LEU 617 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3k7d h LEU 617 CO -0.02 0.99 -0.07 0.03 0.09 0.00 0.00 178.44 179.47 3k7d h ARG 618 N 1.07 0.97 -0.23 1.13 3.08 -0.98 -1.50 114.38 117.93 3k7d h ARG 618 Ca 0.23 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3k7d h ARG 618 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3k7d h ARG 618 CO -0.00 1.02 0.15 1.96 -1.07 0.00 0.00 179.97 182.03 3k7d h GLN 619 N 0.84 0.30 -0.55 0.04 4.20 -0.75 -2.01 115.11 117.18 3k7d h GLN 619 Ca 0.14 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.89 3k7d h GLN 619 Cb 0.62 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3k7d h GLN 619 CO 0.04 0.20 0.27 0.35 -0.67 0.00 0.00 178.83 179.02 3k7d h PHE 620 N 0.31 0.49 -0.14 2.96 3.57 -0.76 -0.97 116.94 122.40 3k7d h PHE 620 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3k7d h PHE 620 Cb -0.03 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3k7d h PHE 620 CO -0.06 0.22 0.07 -0.22 -2.23 0.00 0.00 178.31 176.09 3k7d h LYS 621 N 0.51 0.20 -0.64 1.11 3.64 -0.91 -1.15 116.57 119.33 3k7d h LYS 621 Ca 0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3k7d h LYS 621 Cb 0.19 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3k7d h LYS 621 CO -0.19 0.23 0.31 1.96 -2.27 0.00 0.00 179.45 179.50 3k7d h GLN 622 N 0.11 0.90 -0.37 1.90 1.08 -1.15 0.22 115.11 117.81 3k7d h GLN 622 Ca 0.05 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 3k7d h GLN 622 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3k7d h GLN 622 CO -0.01 0.69 0.14 0.00 -0.95 0.00 0.00 178.83 178.71 3k7d h ALA 623 N 1.44 0.48 -0.31 3.87 0.00 -0.88 -1.52 119.26 122.35 3k7d h ALA 623 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3k7d h ALA 623 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k7d h ALA 623 CO -0.03 0.09 -0.22 1.96 0.00 0.00 0.00 179.25 181.04 3k7d h GLN 624 N 0.45 0.59 -0.50 0.00 1.08 -0.42 -1.85 115.11 114.45 3k7d h GLN 624 Ca 0.12 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 3k7d h GLN 624 Cb 0.20 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3k7d h GLN 624 CO -0.01 0.77 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.53 3k7d h LEU 625 N 0.52 0.86 -0.14 1.46 3.38 -0.79 0.04 115.31 120.64 3k7d h LEU 625 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3k7d h LEU 625 Cb 0.67 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3k7d h LEU 625 CO 0.05 0.95 0.06 0.25 0.09 0.00 0.00 178.44 179.83 3k7d h LEU 626 N 0.81 0.19 -0.23 1.67 5.85 -1.01 -0.51 115.31 122.08 3k7d h LEU 626 Ca 0.14 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3k7d h LEU 626 Cb 0.54 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3k7d h LEU 626 CO 0.03 0.30 0.12 0.03 -0.34 0.00 0.00 178.44 178.58 3k7d h ARG 627 N 0.07 0.24 0.04 1.25 3.08 -1.16 0.22 114.38 118.12 3k7d h ARG 627 Ca 0.05 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3k7d h ARG 627 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k7d h ARG 627 CO -0.00 0.16 -0.14 0.82 -1.07 0.00 0.00 179.97 179.74 3k7d h ILE 628 N 0.25 0.66 -0.24 2.04 2.04 -0.93 -0.00 117.51 121.32 3k7d h ILE 628 Ca 0.10 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3k7d h ILE 628 Cb 0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3k7d h ILE 628 CO -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 177.96 3k7d h ALA 629 N 0.67 1.34 -0.25 1.87 0.00 -0.92 -1.90 119.26 120.06 3k7d h ALA 629 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 3k7d h ALA 629 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k7d h ALA 629 CO -0.11 0.45 -0.44 0.00 0.00 0.00 0.00 179.25 179.14 3k7d h ALA 630 N 1.50 0.39 -0.31 0.00 0.00 -0.15 -1.62 119.26 119.07 3k7d h ALA 630 Ca 0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3k7d h ALA 630 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3k7d h ALA 630 CO 0.03 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 3k7d h ALA 631 N 0.65 1.13 0.68 0.00 0.00 -0.64 -0.45 119.26 120.63 3k7d h ALA 631 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3k7d h ALA 631 Cb 1.04 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3k7d h ALA 631 CO 0.10 0.55 -0.33 0.22 0.00 0.00 0.00 179.25 179.79 3k7d h ASP 632 N 0.51 -0.77 -0.71 0.00 1.82 -1.30 0.23 116.42 116.21 3k7d h ASP 632 Ca 0.09 0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.81 3k7d h ASP 632 Cb 0.58 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.75 3k7d h ASP 632 CO 0.04 -0.52 0.47 0.40 -1.61 0.00 0.00 179.24 178.02 3k7d h ILE 633 N -0.96 1.00 0.00 2.25 1.08 -1.11 -0.08 117.51 119.69 3k7d h ILE 633 Ca -0.09 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3k7d h ILE 633 Cb 0.71 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 3k7d h ILE 633 CO 0.15 0.13 -0.18 0.00 -0.69 0.00 0.00 178.15 177.57 3k7d n ALA 634 N -2.46 2.76 -1.00 1.87 0.00 -0.19 -4.91 120.51 116.58 3k7d n ALA 634 Ca 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 3k7d n ALA 634 Cb 0.25 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.50 0.45 0.19 0.00 0.00 -0.04 -4.91 105.19 102.37 3k7d n GLY 635 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3k7d n GLY 635 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k7d h THR 636 N 0.00 0.56 -3.26 2.61 2.02 -0.83 -3.42 112.91 110.59 3k7d h THR 636 Ca -0.00 -1.53 -0.57 0.00 0.77 0.00 0.00 66.41 65.08 3k7d h THR 636 Cb 0.13 2.07 -0.35 0.00 -1.74 0.00 0.00 68.15 68.26 3k7d h THR 636 CO 0.01 0.28 -0.83 -0.22 0.37 0.00 0.00 175.52 175.13 3k7d s LEU 637 N -6.52 1.63 0.33 2.58 2.96 -0.47 -4.96 118.68 114.22 3k7d s LEU 637 Ca 0.03 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.25 3k7d s LEU 637 Cb 0.08 -1.03 -0.11 0.00 0.50 0.00 0.00 46.19 45.63 3k7d s LEU 637 CO 0.68 -0.01 1.53 -2.84 -1.32 0.00 0.00 176.35 174.39 3k7d s PRO 638 N 1.11 4.13 0.46 0.98 0.02 -1.26 -4.19 135.00 136.25 3k7d s PRO 638 Ca -0.05 2.55 0.15 0.00 0.02 0.00 0.00 61.00 63.67 3k7d s PRO 638 Cb -0.14 -3.01 1.10 0.00 0.02 0.00 0.00 34.50 32.47 3k7d s PRO 638 CO -0.03 -0.56 2.02 -0.24 -0.33 0.00 0.00 177.00 177.86 3k7d h VAL 639 N 3.22 0.92 0.00 3.83 3.04 -1.96 0.51 116.25 125.80 3k7d h VAL 639 Ca -0.49 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3k7d h VAL 639 Cb 1.23 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3k7d h VAL 639 CO 0.73 0.06 0.43 0.24 -1.01 0.00 0.00 177.57 178.01 3k7d h MET 640 N 0.31 0.00 0.00 4.17 2.86 -1.94 -1.11 114.93 119.21 3k7d h MET 640 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3k7d h MET 640 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3k7d h MET 640 CO -0.05 0.00 -0.65 1.63 1.06 0.00 0.00 176.91 178.90 3k7d n LYS 641 N -2.14 2.76 -0.08 1.72 4.76 0.17 -4.66 118.16 120.68 3k7d n LYS 641 Ca -0.01 -0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 3k7d n LYS 641 Cb 0.45 -1.10 -0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3k7d n LYS 641 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3k7d h VAL 642 N 0.00 0.72 -0.53 -0.18 2.07 -1.26 -0.16 116.25 116.91 3k7d h VAL 642 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3k7d h VAL 642 Cb 0.31 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3k7d h VAL 642 CO 0.00 0.00 0.11 0.28 0.02 0.00 0.00 177.57 177.98 3k7d h SER 643 N 0.03 0.78 0.01 0.57 0.02 -1.78 -0.24 113.55 112.93 3k7d h SER 643 Ca 0.15 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3k7d h SER 643 Cb 0.22 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3k7d h SER 643 CO -0.29 0.78 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.27 3k7d h ASP 644 N 0.79 -0.35 -0.64 3.07 3.58 -1.67 0.85 116.42 122.05 3k7d h ASP 644 Ca 0.17 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 3k7d h ASP 644 Cb 0.33 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 3k7d h ASP 644 CO 0.00 -0.17 0.39 0.45 -2.88 0.00 0.00 179.24 177.03 3k7d h HIS 645 N -0.21 0.84 -0.33 0.28 3.86 -0.50 -1.36 115.15 117.74 3k7d h HIS 645 Ca 0.04 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3k7d h HIS 645 Cb 0.26 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3k7d h HIS 645 CO -0.18 0.57 0.02 -0.07 0.86 0.00 0.00 177.93 179.13 3k7d h LEU 646 N 0.87 0.46 -0.02 2.43 3.38 -0.77 -0.62 115.31 121.03 3k7d h LEU 646 Ca 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3k7d h LEU 646 Cb -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3k7d h LEU 646 CO -0.04 0.51 -0.04 0.74 0.09 0.00 0.00 178.44 179.69 3k7d h THR 647 N 0.48 1.44 -1.00 0.22 2.02 -0.43 -1.06 112.91 114.59 3k7d h THR 647 Ca 0.11 -1.37 0.12 0.00 0.77 0.00 0.00 66.41 66.04 3k7d h THR 647 Cb 0.28 2.31 -0.09 0.00 -1.74 0.00 0.00 68.15 68.92 3k7d h THR 647 CO 0.01 0.36 0.63 -0.50 0.37 0.00 0.00 175.52 176.39 3k7d h TRP 648 N -0.48 1.13 0.24 3.16 4.06 -1.15 -1.64 115.95 121.28 3k7d h TRP 648 Ca 0.00 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 3k7d h TRP 648 Cb 0.61 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 3k7d h TRP 648 CO 0.12 0.44 -0.12 1.25 -3.56 0.00 0.00 178.44 176.58 3k7d h LEU 649 N 0.98 -0.27 -1.15 -4.49 5.85 -0.97 -1.88 115.31 113.37 3k7d h LEU 649 Ca 0.50 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.24 3k7d h LEU 649 Cb 0.50 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 3k7d h LEU 649 CO -0.27 -0.10 0.59 0.00 -0.34 0.00 0.00 178.44 178.32 3k7d h ALA 650 N 0.31 1.57 -0.51 1.25 0.00 -0.81 -1.54 119.26 119.53 3k7d h ALA 650 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3k7d h ALA 650 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k7d h ALA 650 CO 0.05 0.26 0.07 0.93 0.00 0.00 0.00 179.25 180.56 3k7d h GLU 651 N 0.96 0.85 -0.98 0.00 5.08 -1.08 0.18 114.58 119.59 3k7d h GLU 651 Ca 0.42 -0.23 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 3k7d h GLU 651 Cb 0.34 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 3k7d h GLU 651 CO -0.18 0.84 0.61 0.00 -1.00 0.00 0.00 179.01 179.29 3k7d h ALA 652 N 0.97 1.44 -0.19 3.43 0.00 -0.60 0.08 119.26 124.38 3k7d h ALA 652 Ca 0.15 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3k7d h ALA 652 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k7d h ALA 652 CO 0.01 0.26 -0.29 0.52 0.00 0.00 0.00 179.25 179.75 3k7d h MET 653 N 1.01 0.54 -0.32 0.00 2.86 -0.45 -2.16 114.93 116.41 3k7d h MET 653 Ca 0.47 -0.32 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3k7d h MET 653 Cb 0.39 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3k7d h MET 653 CO -0.24 0.92 0.05 0.82 1.06 0.00 0.00 176.91 179.53 3k7d h ILE 654 N 0.21 0.83 -0.92 -1.22 2.04 -0.33 0.13 117.51 118.25 3k7d h ILE 654 Ca 0.02 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.95 3k7d h ILE 654 Cb 0.87 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 3k7d h ILE 654 CO 0.07 0.03 0.59 -0.78 0.00 0.00 0.00 178.15 178.05 3k7d h ASP 655 N 0.16 0.74 0.61 1.72 3.58 -0.82 -0.45 116.42 121.96 3k7d h ASP 655 Ca 0.15 0.04 -0.28 0.00 0.42 0.00 0.00 57.03 57.36 3k7d h ASP 655 Cb 0.17 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3k7d h ASP 655 CO -0.21 0.39 -1.40 0.00 -2.88 0.00 0.00 179.24 175.14 3k7d h ALA 656 N 1.58 0.36 -0.01 -0.78 0.00 -0.69 -2.52 119.26 117.20 3k7d h ALA 656 Ca 0.45 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3k7d h ALA 656 Cb 0.62 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k7d h ALA 656 CO -0.22 1.23 0.00 0.28 0.00 0.00 0.00 179.25 180.55 3k7d h VAL 657 N 0.04 1.10 -0.52 0.00 2.07 -0.36 -1.44 116.25 117.14 3k7d h VAL 657 Ca -0.18 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3k7d h VAL 657 Cb 1.95 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 3k7d h VAL 657 CO 0.14 0.08 0.23 0.58 0.02 0.00 0.00 177.57 178.62 3k7d h VAL 658 N -0.11 0.89 -0.33 2.57 2.07 -1.14 -0.29 116.25 119.90 3k7d h VAL 658 Ca 0.00 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3k7d h VAL 658 Cb 0.12 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3k7d h VAL 658 CO -0.00 0.08 0.07 -0.61 0.02 0.00 0.00 177.57 177.13 3k7d h GLN 659 N 0.44 0.18 -0.51 1.57 5.75 -1.36 0.09 115.11 121.27 3k7d h GLN 659 Ca 0.24 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 3k7d h GLN 659 Cb 0.21 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3k7d h GLN 659 CO -0.21 0.12 0.12 0.37 -2.65 0.00 0.00 178.83 176.58 3k7d h GLN 660 N 0.19 0.82 -0.71 1.69 4.15 -0.77 -2.32 115.11 118.16 3k7d h GLN 660 Ca 0.16 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3k7d h GLN 660 Cb 0.17 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3k7d h GLN 660 CO -0.20 0.79 0.26 0.00 -1.93 0.00 0.00 178.83 177.75 3k7d h ALA 661 N 0.99 0.92 -0.33 3.38 0.00 -0.77 -2.84 119.26 120.61 3k7d h ALA 661 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3k7d h ALA 661 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k7d h ALA 661 CO 0.00 0.56 0.10 2.35 0.00 0.00 0.00 179.25 182.27 3k7d h TRP 662 N 1.02 0.54 -0.88 0.00 2.91 -0.78 -1.58 115.95 117.18 3k7d h TRP 662 Ca 0.23 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 3k7d h TRP 662 Cb 0.24 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.69 3k7d h TRP 662 CO 0.02 0.53 0.55 0.28 -1.03 0.00 0.00 178.44 178.79 3k7d h VAL 663 N 0.38 1.24 -0.52 2.65 2.07 -1.38 0.15 116.25 120.83 3k7d h VAL 663 Ca 0.11 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3k7d h VAL 663 Cb 0.25 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3k7d h VAL 663 CO -0.00 0.25 0.18 1.56 0.02 0.00 0.00 177.57 179.58 3k7d h GLN 664 N 1.21 0.79 -0.24 1.57 4.20 -1.28 -1.49 115.11 119.87 3k7d h GLN 664 Ca 0.32 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 3k7d h GLN 664 Cb -0.07 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 3k7d h GLN 664 CO -0.06 0.72 -0.30 0.52 -0.67 0.00 0.00 178.83 179.03 3k7d h MET 665 N 0.70 0.64 -0.17 1.46 2.86 -0.84 -2.37 114.93 117.21 3k7d h MET 665 Ca 0.17 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 3k7d h MET 665 Cb 0.24 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3k7d h MET 665 CO -0.01 0.97 -0.30 0.28 1.06 0.00 0.00 176.91 178.90 3k7d h VAL 666 N 0.35 1.27 -0.38 -2.22 2.07 -0.71 0.27 116.25 116.89 3k7d h VAL 666 Ca 0.03 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 3k7d h VAL 666 Cb 0.88 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3k7d h VAL 666 CO 0.07 0.40 -0.14 0.00 0.02 0.00 0.00 177.57 177.92 3k7d h ALA 667 N 1.39 1.04 0.17 1.67 0.00 -1.17 0.40 119.26 122.76 3k7d h ALA 667 Ca 0.04 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 3k7d h ALA 667 Cb 0.69 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3k7d h ALA 667 CO 0.05 0.58 -1.48 -0.09 0.00 0.00 0.00 179.25 178.31 3k7d h ARG 668 N 0.62 0.36 -0.00 0.00 2.43 -0.96 -3.41 114.38 113.42 3k7d h ARG 668 Ca 0.10 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3k7d h ARG 668 Cb 0.60 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3k7d h ARG 668 CO 0.04 1.27 -0.05 0.66 -1.51 0.00 0.00 179.97 180.38 3k7d n TYR 669 N -3.57 0.00 -3.61 2.20 4.01 0.89 -4.57 117.16 112.51 3k7d n TYR 669 Ca -0.16 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.61 3k7d n TYR 669 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.91 -1.64 3.84 2.72 0.00 0.14 -2.27 105.19 108.89 3k7d n GLY 670 Ca 0.00 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 3k7d n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k7d s LYS 671 N -0.39 3.89 0.11 1.61 1.02 -1.26 -4.43 119.74 120.29 3k7d s LYS 671 Ca 0.00 0.37 -0.36 0.00 0.02 0.00 0.00 55.97 56.00 3k7d s LYS 671 Cb 0.00 -3.15 -0.16 0.00 -0.52 0.00 0.00 37.83 34.01 3k7d s LYS 671 CO 0.00 0.64 1.41 -2.30 -0.92 0.00 0.00 175.35 174.18 3k7d n PRO 672 N 1.52 1.46 0.00 -1.68 -0.02 -1.26 -1.07 135.00 133.95 3k7d n PRO 672 Ca -0.12 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 3k7d n PRO 672 Cb 0.52 -2.20 0.74 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.77 0.00 -0.03 2.55 0.23 0.03 -3.06 115.26 117.74 3k7d n ASN 673 Ca 0.18 -0.25 0.16 0.00 -0.53 0.00 0.00 54.58 54.13 3k7d n ASN 673 Cb 0.22 -0.24 0.92 0.00 -2.08 0.00 0.00 39.78 38.60 3k7d n ASN 673 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k7d n HIS 674 N -1.24 0.00 0.15 -2.53 1.44 -1.26 -4.00 115.22 107.78 3k7d n HIS 674 Ca 0.15 -0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.90 3k7d n HIS 674 Cb 0.20 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.52 3k7d n HIS 674 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3k7d n LEU 675 N -0.92 3.24 -4.87 2.39 4.77 -1.17 -4.85 117.00 115.59 3k7d n LEU 675 Ca 0.24 -1.64 -0.30 0.00 -0.03 0.00 0.00 56.01 54.27 3k7d n LEU 675 Cb 0.13 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3k7d n LEU 675 CO 0.18 0.47 0.48 0.20 -1.33 0.00 0.00 177.39 177.39 3k7d s ASN 676 N -0.55 6.53 0.00 -1.43 0.01 -1.26 -3.52 114.94 114.72 3k7d s ASN 676 Ca 0.29 1.20 0.00 0.00 -0.71 0.00 0.00 52.86 53.64 3k7d s ASN 676 Cb 0.21 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.51 3k7d s ASN 676 CO 0.11 -0.44 0.00 -0.62 -1.51 0.00 0.00 177.10 174.64 3k7d n GLU 677 N -1.38 -0.67 -3.65 -0.60 1.02 -1.26 -4.97 120.64 109.13 3k7d n GLU 677 Ca 0.03 0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 57.11 3k7d n GLU 677 Cb 0.54 -3.70 -0.18 0.00 -0.02 0.00 0.00 31.44 28.08 3k7d n GLU 677 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k7d s ARG 678 N -0.72 0.01 0.18 3.49 3.52 -1.23 -5.03 118.95 119.18 3k7d s ARG 678 Ca 0.00 0.16 -0.13 0.00 -0.13 0.00 0.00 55.73 55.63 3k7d s ARG 678 Cb 0.00 -1.13 0.09 0.00 -1.56 0.00 0.00 34.95 32.35 3k7d s ARG 678 CO 0.00 -0.48 1.85 0.93 -0.81 0.00 0.00 175.30 176.78 3k7d h GLU 679 N 8.42 0.77 0.00 5.12 5.08 -1.93 -3.47 114.58 128.57 3k7d h GLU 679 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3k7d h GLU 679 Cb 1.13 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3k7d h GLU 679 CO 0.22 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 3k7d n GLY 680 N -1.26 1.68 0.00 -3.84 0.00 -1.26 -5.06 105.19 95.44 3k7d n GLY 680 Ca 0.04 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 44.13 3k7d n GLY 680 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k7d n ARG 681 N -0.11 1.39 -1.99 1.61 1.74 -1.26 -4.97 116.66 113.07 3k7d n ARG 681 Ca 0.00 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 3k7d n ARG 681 Cb 0.00 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3k7d n ARG 681 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k7d n GLY 682 N 1.40 0.33 3.03 -0.13 0.00 -1.26 -5.01 105.19 103.55 3k7d n GLY 682 Ca 0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.66 0.73 0.01 1.61 5.36 -1.26 -3.58 117.98 118.19 3k7d s PHE 683 Ca 0.00 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 3k7d s PHE 683 Cb 0.00 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 42.22 3k7d s PHE 683 CO 0.00 -0.02 -0.04 0.00 -1.46 0.00 0.00 175.22 173.70 3k7d s ALA 684 N -0.49 0.32 -0.22 11.12 0.00 0.32 -4.25 121.76 128.57 3k7d s ALA 684 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 3k7d s ALA 684 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3k7d s ALA 684 CO 0.00 0.02 -0.04 0.08 0.00 0.00 0.00 175.76 175.82 3k7d s VAL 685 N -0.53 3.40 -0.19 0.00 1.01 0.18 -0.51 120.40 123.77 3k7d s VAL 685 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3k7d s VAL 685 Cb -0.04 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3k7d s VAL 685 CO -0.00 0.42 0.12 -0.69 0.00 0.00 0.00 175.10 174.95 3k7d s VAL 686 N 1.43 5.31 -0.21 2.92 1.01 0.55 -0.42 120.40 130.99 3k7d s VAL 686 Ca 0.05 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 3k7d s VAL 686 Cb -0.14 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3k7d s VAL 686 CO -0.03 0.47 0.20 -0.83 0.00 0.00 0.00 175.10 174.91 3k7d s GLY 687 N 0.18 2.04 0.18 4.51 0.00 0.22 -1.78 107.32 112.67 3k7d s GLY 687 Ca 0.08 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.09 3k7d s GLY 687 CO -0.01 0.39 0.15 -1.72 0.00 0.00 0.00 173.10 171.91 3k7d n TYR 688 N 4.01 -1.48 -3.99 1.90 4.02 0.12 -1.48 117.16 120.26 3k7d n TYR 688 Ca -0.14 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 57.01 3k7d n TYR 688 Cb 0.52 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 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 2.85 3.00 0.25 2.72 0.00 -1.26 -1.73 105.19 111.02 3k7d n GLY 689 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 0.79 0.01 1.61 1.57 -1.91 -1.76 116.57 116.88 3k7d h LYS 690 Ca 0.00 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.38 3k7d h LYS 690 Cb 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3k7d h LYS 690 CO 0.00 1.06 -0.35 1.25 -0.57 0.00 0.00 179.45 180.84 3k7d h LEU 691 N 0.64 -1.06 -1.73 2.94 5.85 -1.84 0.17 115.31 120.27 3k7d h LEU 691 Ca 0.04 0.13 0.15 0.00 0.84 0.00 0.00 57.88 59.05 3k7d h LEU 691 Cb 0.99 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 3k7d h LEU 691 CO 0.09 -0.41 0.47 1.23 -0.34 0.00 0.00 178.44 179.48 3k7d h GLY 692 N -0.51 0.45 -2.42 3.75 0.00 -1.14 -2.85 103.07 100.35 3k7d h GLY 692 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3k7d h GLY 692 CO -0.28 0.04 0.00 0.61 0.00 0.00 0.00 176.54 176.91 3k7d n GLY 693 N -1.57 3.17 4.02 4.60 0.00 -0.68 -4.50 105.19 110.24 3k7d n GLY 693 Ca 0.13 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 0.48 -1.76 -1.52 1.61 7.02 -0.76 -4.43 117.44 118.08 3k7d n TRP 694 Ca 0.22 0.78 0.04 0.00 -1.02 0.00 0.00 57.50 57.53 3k7d n TRP 694 Cb 0.86 -3.55 0.05 0.00 -2.42 0.00 0.00 31.31 26.26 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 -4.43 0.61 -1.87 -0.99 2.13 0.51 -4.55 120.64 112.06 3k7d n GLU 695 Ca -0.15 -1.61 -0.41 0.00 0.66 0.00 0.00 57.16 55.64 3k7d n GLU 695 Cb 0.61 -0.91 -0.01 0.00 0.27 0.00 0.00 31.44 31.40 3k7d n GLU 695 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3k7d s LEU 696 N -1.16 4.34 0.00 4.31 1.43 -1.23 -4.90 118.68 121.47 3k7d s LEU 696 Ca 0.13 2.97 0.07 0.00 -1.03 0.00 0.00 54.13 56.26 3k7d s LEU 696 Cb 0.11 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.73 3k7d s LEU 696 CO 0.01 -0.81 0.56 0.61 0.23 0.00 0.00 176.35 176.95 3k7d n GLY 697 N 0.66 2.18 0.32 -3.19 0.00 -1.26 -4.33 105.19 99.58 3k7d n GLY 697 Ca 0.01 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 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 0.23 0.89 -0.18 1.61 0.05 -1.96 -2.87 116.97 114.73 3k7d h TYR 698 Ca -0.23 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.40 3k7d h TYR 698 Cb 1.00 -0.28 -0.08 0.00 1.01 0.00 0.00 36.73 38.38 3k7d h TYR 698 CO 0.00 0.65 -0.43 -1.13 -1.05 0.00 0.00 178.16 176.20 3k7d n SER 699 N -4.35 2.32 -4.77 3.88 3.41 -1.26 -5.05 113.62 107.81 3k7d n SER 699 Ca 0.06 -3.87 -0.38 0.00 -0.26 0.00 0.00 58.87 54.42 3k7d n SER 699 Cb 0.13 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 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 -3.11 6.48 1.01 4.04 0.01 -1.09 -5.04 113.70 116.01 3k7d s SER 700 Ca 0.41 2.31 -0.12 0.00 1.31 0.00 0.00 55.95 59.86 3k7d s SER 700 Cb 0.39 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 64.20 3k7d s SER 700 CO -0.04 -0.70 1.08 -1.81 0.41 0.00 0.00 173.24 172.18 3k7d s ASP 701 N -1.22 2.44 -0.18 2.44 1.01 -1.26 -4.69 116.67 115.21 3k7d s ASP 701 Ca 0.58 1.36 -0.02 0.00 0.71 0.00 0.00 52.55 55.19 3k7d s ASP 701 Cb -0.29 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 3k7d s ASP 701 CO 0.37 -3.27 -0.09 -0.76 0.21 0.00 0.00 175.17 171.63 3k7d s LEU 702 N -6.58 2.79 -0.42 1.23 1.43 -0.28 -4.77 118.68 112.08 3k7d s LEU 702 Ca 0.66 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 53.16 3k7d s LEU 702 Cb -0.20 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3k7d s LEU 702 CO 0.59 0.06 0.76 -1.81 0.23 0.00 0.00 176.35 176.19 3k7d s ASP 703 N 0.96 6.44 0.00 2.29 1.01 -1.26 -0.56 116.67 125.55 3k7d s ASP 703 Ca -0.01 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.31 3k7d s ASP 703 Cb -0.15 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 3k7d s ASP 703 CO -0.00 -0.83 -0.13 -0.76 0.21 0.00 0.00 175.17 173.65 3k7d s LEU 704 N 3.16 2.07 0.18 1.23 1.43 -0.85 -0.70 118.68 125.19 3k7d s LEU 704 Ca 0.29 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3k7d s LEU 704 Cb -0.13 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 3k7d s LEU 704 CO 0.20 0.13 -0.14 0.27 0.23 0.00 0.00 176.35 177.04 3k7d s ILE 705 N -0.47 1.56 -0.07 -0.59 -4.36 -0.74 -4.28 121.20 112.26 3k7d s ILE 705 Ca 0.04 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 3k7d s ILE 705 Cb -0.06 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 3k7d s ILE 705 CO -0.00 -0.57 -0.24 -0.36 0.24 0.00 0.00 174.94 174.01 3k7d s PHE 706 N -2.82 2.45 0.13 1.37 0.08 -1.26 -0.33 117.98 117.60 3k7d s PHE 706 Ca 0.18 -0.84 0.11 0.00 0.12 0.00 0.00 56.93 56.50 3k7d s PHE 706 Cb -0.01 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3k7d s PHE 706 CO 0.05 -0.29 -0.26 -0.51 -0.10 0.00 0.00 175.22 174.11 3k7d s LEU 707 N 0.04 2.33 0.38 -0.37 1.43 0.33 -2.31 118.68 120.51 3k7d s LEU 707 Ca -0.10 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 3k7d s LEU 707 Cb -0.15 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3k7d s LEU 707 CO 0.06 0.16 0.09 -1.38 0.23 0.00 0.00 176.35 175.51 3k7d s HIS 708 N -1.14 1.85 -0.30 0.29 -3.43 -0.62 -0.52 115.29 111.43 3k7d s HIS 708 Ca 0.14 -1.14 0.16 0.00 -0.80 0.00 0.00 55.06 53.42 3k7d s HIS 708 Cb -0.10 -1.23 0.48 0.00 -1.43 0.00 0.00 32.58 30.30 3k7d s HIS 708 CO 0.06 -0.15 1.10 -0.40 -2.00 0.00 0.00 174.74 173.35 3k7d n ASP 709 N -1.05 2.78 -4.73 7.38 5.68 -1.23 -0.24 116.55 125.13 3k7d n ASP 709 Ca -0.05 -2.80 -0.39 0.00 -0.50 0.00 0.00 54.79 51.05 3k7d n ASP 709 Cb 0.66 -0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 3k7d n ASP 709 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k7d s PRO 711 N 0.51 1.62 0.37 0.00 0.02 -1.26 -4.87 135.00 131.39 3k7d s PRO 711 Ca 0.31 1.45 0.05 0.00 0.02 0.00 0.00 61.00 62.82 3k7d s PRO 711 Cb -0.17 -1.80 0.74 0.00 0.02 0.00 0.00 34.50 33.29 3k7d s PRO 711 CO 0.14 -2.17 2.02 0.52 -0.33 0.00 0.00 177.00 177.18 3k7d h MET 712 N -1.38 0.71 -0.36 5.54 2.86 -2.03 -3.16 114.93 117.12 3k7d h MET 712 Ca -0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3k7d h MET 712 Cb 1.26 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3k7d h MET 712 CO 0.46 0.47 0.00 -0.40 1.06 0.00 0.00 176.91 178.50 3k7d n ASP 713 N -4.46 2.59 -4.76 1.22 5.75 -1.26 -4.79 116.55 110.84 3k7d n ASP 713 Ca 0.06 -1.90 -0.40 0.00 -0.01 0.00 0.00 54.79 52.54 3k7d n ASP 713 Cb 0.09 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 3k7d n ASP 713 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k7d s ALA 714 N -1.53 3.40 0.14 2.12 0.00 -1.20 -4.96 121.76 119.74 3k7d s ALA 714 Ca 0.35 0.88 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3k7d s ALA 714 Cb 0.19 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3k7d s ALA 714 CO 0.27 -0.14 -0.15 -1.64 0.00 0.00 0.00 175.76 174.10 3k7d s MET 715 N -1.37 1.13 0.58 0.00 -1.94 -1.26 -0.09 119.30 116.34 3k7d s MET 715 Ca 0.45 -1.34 -0.15 0.00 -1.71 0.00 0.00 55.69 52.94 3k7d s MET 715 Cb -0.32 -1.04 -0.05 0.00 2.01 0.00 0.00 34.83 35.44 3k7d s MET 715 CO 0.40 0.20 1.02 0.95 -0.01 0.00 0.00 175.02 177.58 3k7d s THR 716 N -2.26 4.33 -2.27 2.05 -4.23 -0.01 -0.79 115.64 112.45 3k7d s THR 716 Ca 0.13 1.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.82 3k7d s THR 716 Cb -0.04 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.33 3k7d s THR 716 CO 0.04 -0.75 1.10 -0.90 -0.54 0.00 0.00 174.62 173.57 3k7d n ASP 717 N -2.10 2.58 -4.47 3.99 5.75 -0.23 -4.51 116.55 117.56 3k7d n ASP 717 Ca 0.07 -1.78 -0.29 0.00 -0.01 0.00 0.00 54.79 52.78 3k7d n ASP 717 Cb 0.54 -0.02 0.17 0.00 -1.03 0.00 0.00 41.12 40.78 3k7d n ASP 717 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3k7d s GLY 718 N -1.51 1.60 0.37 6.12 0.00 -0.96 -4.88 107.32 108.06 3k7d s GLY 718 Ca 0.22 -0.70 0.20 0.00 0.00 0.00 0.00 44.72 44.45 3k7d s GLY 718 CO 0.23 -0.03 1.63 1.05 0.00 0.00 0.00 173.10 175.99 3k7d h GLU 719 N -1.81 0.00 -3.53 2.90 4.11 -1.91 -3.18 114.58 111.16 3k7d h GLU 719 Ca -0.49 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.23 3k7d h GLU 719 Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 3k7d h GLU 719 CO 0.52 0.30 3.17 -2.13 0.07 0.00 0.00 179.01 180.94 3k7d n ARG 720 N -3.27 3.34 -1.99 1.06 0.63 -1.26 -4.98 116.66 110.20 3k7d n ARG 720 Ca 0.02 -2.66 -0.42 0.00 -0.92 0.00 0.00 57.85 53.86 3k7d n ARG 720 Cb 0.57 -3.05 -0.03 0.00 0.45 0.00 0.00 32.46 30.41 3k7d n ARG 720 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3k7d s GLU 721 N 2.20 4.23 0.23 -0.14 2.12 -1.21 -4.60 118.70 121.54 3k7d s GLU 721 Ca 0.54 2.28 0.04 0.00 0.36 0.00 0.00 54.97 58.18 3k7d s GLU 721 Cb 0.15 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 3k7d s GLU 721 CO -0.07 -0.64 -0.01 0.96 -0.54 0.00 0.00 175.26 174.96 3k7d s ILE 722 N 1.92 1.12 0.28 -3.70 -4.36 -1.26 -4.95 121.20 110.24 3k7d s ILE 722 Ca 0.71 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.75 3k7d s ILE 722 Cb -0.40 -2.34 -0.12 0.00 1.25 0.00 0.00 42.46 40.86 3k7d s ILE 722 CO 0.31 -0.34 1.63 -1.81 0.24 0.00 0.00 174.94 174.98 3k7d s ASP 723 N -3.32 6.35 0.21 4.36 1.01 -1.26 -0.83 116.67 123.19 3k7d s ASP 723 Ca 0.28 2.95 -0.16 0.00 0.71 0.00 0.00 52.55 56.33 3k7d s ASP 723 Cb 0.05 -2.63 0.21 0.00 1.01 0.00 0.00 42.92 41.56 3k7d s ASP 723 CO 0.09 -0.94 1.60 1.23 0.21 0.00 0.00 175.17 177.36 3k7d h GLY 724 N 5.26 0.22 1.02 0.21 0.00 -0.80 -1.05 103.07 107.93 3k7d h GLY 724 Ca -0.46 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3k7d h GLY 724 CO 0.83 -0.24 0.55 3.21 0.00 0.00 0.00 176.54 180.89 3k7d h ARG 725 N -0.08 1.25 -0.15 4.80 3.08 -1.81 -1.68 114.38 119.79 3k7d h ARG 725 Ca 0.29 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3k7d h ARG 725 Cb 0.53 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3k7d h ARG 725 CO -0.71 0.88 -0.20 0.37 -1.07 0.00 0.00 179.97 179.24 3k7d h GLN 726 N 1.27 0.25 -1.01 0.04 4.15 -1.72 -1.94 115.11 116.15 3k7d h GLN 726 Ca 0.33 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.72 3k7d h GLN 726 Cb -0.05 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.55 3k7d h GLN 726 CO -0.06 0.44 0.66 0.35 -1.93 0.00 0.00 178.83 178.29 3k7d h PHE 727 N 0.23 1.23 -0.14 3.99 3.04 -0.26 0.18 116.94 125.22 3k7d h PHE 727 Ca 0.04 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.85 3k7d h PHE 727 Cb 0.49 -0.41 0.01 0.00 2.56 0.00 0.00 35.95 38.59 3k7d h PHE 727 CO 0.01 0.70 -0.59 1.88 -2.02 0.00 0.00 178.31 178.29 3k7d h TYR 728 N 1.26 0.86 -0.28 0.41 0.05 -1.24 0.50 116.97 118.54 3k7d h TYR 728 Ca 0.41 -0.37 0.04 0.00 0.05 0.00 0.00 58.73 58.86 3k7d h TYR 728 Cb 0.02 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3k7d h TYR 728 CO -0.00 1.17 0.02 1.25 -1.05 0.00 0.00 178.16 179.55 3k7d h LEU 729 N 0.31 -0.06 -1.13 3.88 5.85 -1.18 0.21 115.31 123.19 3k7d h LEU 729 Ca -0.03 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3k7d h LEU 729 Cb 1.22 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 3k7d h LEU 729 CO 0.12 0.00 0.21 0.03 -0.34 0.00 0.00 178.44 178.47 3k7d h ARG 730 N 0.12 0.83 -0.05 1.25 3.08 -0.84 -0.85 114.38 117.92 3k7d h ARG 730 Ca 0.13 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k7d h ARG 730 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3k7d h ARG 730 CO -0.20 0.69 -0.02 1.25 -1.07 0.00 0.00 179.97 180.62 3k7d h LEU 731 N 0.82 -0.06 -1.28 3.04 5.85 -0.19 -0.54 115.31 122.94 3k7d h LEU 731 Ca 0.19 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3k7d h LEU 731 Cb 0.18 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3k7d h LEU 731 CO -0.02 -0.03 0.52 0.00 -0.34 0.00 0.00 178.44 178.58 3k7d h ALA 732 N 1.04 1.60 -0.11 1.25 0.00 -0.04 -1.15 119.26 121.86 3k7d h ALA 732 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3k7d h ALA 732 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k7d h ALA 732 CO -0.06 0.28 -0.22 1.96 0.00 0.00 0.00 179.25 181.22 3k7d h GLN 733 N 0.88 0.34 -0.19 0.00 4.20 -0.75 -1.81 115.11 117.78 3k7d h GLN 733 Ca 0.33 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.87 3k7d h GLN 733 Cb 0.18 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 3k7d h GLN 733 CO -0.11 0.82 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.66 3k7d h ARG 734 N -0.10 -0.10 -0.16 1.46 9.65 -0.84 -0.30 114.38 123.99 3k7d h ARG 734 Ca 0.00 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3k7d h ARG 734 Cb 0.81 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 3k7d h ARG 734 CO 0.05 -0.07 -0.35 0.82 2.80 0.00 0.00 179.97 183.22 3k7d h ILE 735 N -0.10 0.24 -0.74 1.20 2.04 -1.16 0.52 117.51 119.51 3k7d h ILE 735 Ca 0.11 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.11 3k7d h ILE 735 Cb 0.27 0.24 -0.14 0.00 -0.74 0.00 0.00 36.82 36.45 3k7d h ILE 735 CO -0.26 0.00 -0.25 0.24 0.00 0.00 0.00 178.15 177.88 3k7d h MET 736 N -0.41 -0.04 -0.68 2.37 2.86 -1.19 -0.98 114.93 116.86 3k7d h MET 736 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3k7d h MET 736 Cb 0.57 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3k7d h MET 736 CO -0.39 -0.03 0.34 1.25 1.06 0.00 0.00 176.91 179.14 3k7d h HIS 737 N -0.05 0.96 0.00 -0.22 -0.00 0.61 -2.04 115.15 114.42 3k7d h HIS 737 Ca 0.33 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 3k7d h HIS 737 Cb 0.56 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3k7d h HIS 737 CO -0.64 0.71 -0.29 -0.07 -0.00 0.00 0.00 177.93 177.63 3k7d h LEU 738 N 0.93 0.00 -0.17 0.26 3.38 0.80 -1.76 115.31 118.76 3k7d h LEU 738 Ca 0.23 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 3k7d h LEU 738 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k7d h LEU 738 CO -0.03 0.29 -0.83 -0.26 0.09 0.00 0.00 178.44 177.70 3k7d h PHE 739 N 0.00 0.97 0.00 1.13 0.04 -0.78 -3.40 116.94 114.89 3k7d h PHE 739 Ca -0.00 -0.45 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 3k7d h PHE 739 Cb 0.55 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 3k7d h PHE 739 CO 0.00 1.27 -1.75 -1.13 -0.60 0.00 0.00 178.31 176.11 3k7d n SER 740 N -3.89 1.27 -4.75 2.17 3.41 -0.81 -1.22 113.62 109.80 3k7d n SER 740 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.18 3k7d n SER 740 Cb 0.77 1.75 0.04 0.00 -0.26 0.00 0.00 64.21 66.51 3k7d n SER 740 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3k7d s THR 741 N -3.13 2.65 -0.30 6.66 -1.32 -0.69 -4.81 115.64 114.71 3k7d s THR 741 Ca -0.06 0.40 -0.09 0.00 -1.21 0.00 0.00 61.69 60.72 3k7d s THR 741 Cb 0.10 -3.13 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 3k7d s THR 741 CO 0.68 -0.10 0.14 -0.60 -2.21 0.00 0.00 174.62 172.53 3k7d s ARG 742 N -3.40 3.40 0.35 7.08 3.52 -1.26 -4.24 118.95 124.40 3k7d s ARG 742 Ca 0.77 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.72 3k7d s ARG 742 Cb -0.30 -3.54 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 3k7d s ARG 742 CO 0.34 -0.38 0.21 0.25 -0.81 0.00 0.00 175.30 174.91 3k7d n THR 743 N 4.98 0.00 -0.34 4.11 -2.24 -0.08 -4.92 114.28 115.79 3k7d n THR 743 Ca -0.14 -1.47 0.10 0.00 -2.27 0.00 0.00 64.05 60.27 3k7d n THR 743 Cb 0.49 -0.07 0.21 0.00 -2.10 0.00 0.00 70.33 68.86 3k7d n THR 743 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k7d h SER 744 N 0.52 -0.67 -0.43 3.42 0.02 -1.98 0.71 113.55 115.13 3k7d h SER 744 Ca -0.24 0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 3k7d h SER 744 Cb 0.84 0.53 -0.10 0.00 0.14 0.00 0.00 62.40 63.81 3k7d h SER 744 CO 0.38 -0.33 0.21 -1.20 -1.14 0.00 0.00 176.83 174.75 3k7d n SER 745 N -5.54 3.43 0.00 3.07 7.64 -1.26 -5.01 113.62 115.95 3k7d n SER 745 Ca 0.19 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.37 3k7d n SER 745 Cb 0.61 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.09 -0.26 3.77 0.23 0.00 0.25 -4.80 105.19 104.30 3k7d n GLY 746 Ca 0.25 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 4.30 -0.08 -0.61 -4.36 -1.26 -0.90 121.20 118.28 3k7d s ILE 747 Ca 0.00 -1.21 -0.04 0.00 -0.26 0.00 0.00 60.65 59.14 3k7d s ILE 747 Cb 0.00 -3.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.48 3k7d s ILE 747 CO 0.00 -0.14 0.18 0.25 0.24 0.00 0.00 174.94 175.47 3k7d h LEU 748 N 2.36 -0.13 -7.45 0.37 5.85 -1.37 -3.48 115.31 111.46 3k7d h LEU 748 Ca -0.47 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 3k7d h LEU 748 Cb 1.21 0.03 -0.23 0.00 0.37 0.00 0.00 40.66 42.04 3k7d h LEU 748 CO 0.62 0.34 -0.33 -0.31 -0.34 0.00 0.00 178.44 178.42 3k7d s TYR 749 N -2.06 -0.29 0.01 1.25 2.02 -0.84 -5.06 117.35 112.38 3k7d s TYR 749 Ca -0.02 0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 57.04 3k7d s TYR 749 Cb 0.00 0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.62 3k7d s TYR 749 CO 0.07 -0.23 1.24 -1.21 -1.57 0.00 0.00 175.55 173.85 3k7d s GLU 750 N -0.29 4.37 -0.21 -0.62 0.41 -1.26 -4.08 118.70 117.02 3k7d s GLU 750 Ca -0.04 1.79 -0.07 0.00 -0.41 0.00 0.00 54.97 56.23 3k7d s GLU 750 Cb -0.03 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.83 3k7d s GLU 750 CO 0.02 -0.39 0.06 0.08 -0.49 0.00 0.00 175.26 174.54 3k7d s VAL 751 N 1.69 4.54 -0.28 2.63 1.01 -1.26 -1.12 120.40 127.61 3k7d s VAL 751 Ca 0.59 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 3k7d s VAL 751 Cb -0.29 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3k7d s VAL 751 CO 0.26 0.41 0.05 -0.62 0.00 0.00 0.00 175.10 175.21 3k7d s ASP 752 N 0.85 4.98 -0.13 3.32 -1.08 0.27 -4.95 116.67 119.92 3k7d s ASP 752 Ca 0.03 -0.71 0.15 0.00 -0.52 0.00 0.00 52.55 51.50 3k7d s ASP 752 Cb -0.14 -1.84 0.50 0.00 -1.46 0.00 0.00 42.92 39.98 3k7d s ASP 752 CO 0.02 -0.17 1.41 0.00 0.52 0.00 0.00 175.17 176.95 3k7d n ALA 753 N 4.83 2.83 0.34 3.66 0.00 -1.26 -2.00 120.51 128.91 3k7d n ALA 753 Ca -0.15 -1.94 0.15 0.00 0.00 0.00 0.00 53.44 51.49 3k7d n ALA 753 Cb 0.48 -0.68 0.53 0.00 0.00 0.00 0.00 19.45 19.78 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 2.10 0.00 -0.04 0.00 3.08 -1.91 -2.90 114.38 114.70 3k7d h ARG 754 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k7d h ARG 754 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3k7d h ARG 754 CO 0.18 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 3k7d n LEU 755 N -2.77 0.57 -4.70 3.04 4.77 -1.26 -3.93 117.00 112.72 3k7d n LEU 755 Ca 0.02 -0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.47 3k7d n LEU 755 Cb 0.33 -0.03 0.14 0.00 -2.33 0.00 0.00 43.42 41.54 3k7d n LEU 755 CO 0.26 0.11 0.67 0.00 -1.33 0.00 0.00 177.39 177.10 3k7d s ARG 756 N -1.95 1.29 0.12 3.23 1.70 -1.10 -4.85 118.95 117.39 3k7d s ARG 756 Ca 0.34 1.12 -0.33 0.00 -0.47 0.00 0.00 55.73 56.38 3k7d s ARG 756 Cb 0.17 -1.79 -0.12 0.00 -0.57 0.00 0.00 34.95 32.63 3k7d s ARG 756 CO 0.27 -2.30 1.72 -2.30 -1.08 0.00 0.00 175.30 171.60 3k7d n PRO 757 N -3.97 2.41 -0.99 3.89 -0.02 -1.26 -0.86 135.00 134.22 3k7d n PRO 757 Ca 0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3k7d n PRO 757 Cb 0.54 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.61 -1.85 0.00 2.55 7.64 -1.26 -4.01 113.62 121.30 3k7d n SER 758 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3k7d n SER 758 Cb 0.32 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.43 2.09 0.16 0.23 0.00 -0.04 -2.73 105.19 102.46 3k7d n GLY 759 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.58 3k7d n GLY 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k7d n ALA 760 N 8.14 1.01 0.92 4.61 0.00 -1.26 -1.44 120.51 132.48 3k7d n ALA 760 Ca 0.00 0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.73 3k7d n ALA 760 Cb 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 3k7d n ALA 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k7d n ALA 761 N -1.75 4.43 -1.97 0.00 0.00 -1.11 -4.93 120.51 115.17 3k7d n ALA 761 Ca -0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 3k7d n ALA 761 Cb 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.13 1.90 0.55 0.00 0.00 -0.52 -5.01 107.32 101.11 3k7d s GLY 762 Ca 0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.57 3k7d s GLY 762 CO 0.85 0.21 0.64 1.03 0.00 0.00 0.00 173.10 175.83 3k7d n MET 763 N -1.81 0.65 0.24 2.90 2.81 -1.26 -4.89 117.12 115.75 3k7d n MET 763 Ca 0.05 0.25 0.11 0.00 -1.81 0.00 0.00 57.70 56.30 3k7d n MET 763 Cb 0.54 -1.79 0.59 0.00 -0.71 0.00 0.00 33.22 31.84 3k7d n MET 763 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3k7d h LEU 764 N 0.43 0.00 -7.92 4.03 5.85 -1.96 -3.42 115.31 112.32 3k7d h LEU 764 Ca -0.46 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 57.93 3k7d h LEU 764 Cb 1.39 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 42.13 3k7d h LEU 764 CO 0.49 0.19 -0.76 -0.69 -0.34 0.00 0.00 178.44 177.33 3k7d s VAL 765 N -3.95 0.46 0.10 1.05 1.01 -1.26 -4.33 120.40 113.49 3k7d s VAL 765 Ca -0.01 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3k7d s VAL 765 Cb 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3k7d s VAL 765 CO 0.61 0.14 -0.21 -0.89 0.00 0.00 0.00 175.10 174.75 3k7d s THR 766 N -0.08 2.65 0.66 3.92 2.01 -0.98 -4.97 115.64 118.86 3k7d s THR 766 Ca 0.01 -1.48 -0.16 0.00 0.31 0.00 0.00 61.69 60.38 3k7d s THR 766 Cb -0.03 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3k7d s THR 766 CO -0.00 0.17 1.16 -0.94 -0.69 0.00 0.00 174.62 174.32 3k7d s SER 767 N -1.90 4.83 0.25 3.53 1.04 -1.26 -1.58 113.70 118.62 3k7d s SER 767 Ca 0.16 2.21 -0.04 0.00 0.48 0.00 0.00 55.95 58.76 3k7d s SER 767 Cb -0.10 -2.58 0.29 0.00 0.10 0.00 0.00 66.02 63.73 3k7d s SER 767 CO 0.08 -1.83 1.83 0.00 0.98 0.00 0.00 173.24 174.30 3k7d h ALA 768 N 0.16 1.17 -0.05 5.32 0.00 -1.00 -0.93 119.26 123.92 3k7d h ALA 768 Ca -0.48 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3k7d h ALA 768 Cb 1.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3k7d h ALA 768 CO 0.53 0.60 -0.22 0.93 0.00 0.00 0.00 179.25 181.09 3k7d h GLU 769 N 1.03 0.09 0.07 0.00 5.08 -1.92 -0.71 114.58 118.22 3k7d h GLU 769 Ca 0.24 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.33 3k7d h GLU 769 Cb 0.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3k7d h GLU 769 CO -0.02 0.31 -1.12 0.00 -1.00 0.00 0.00 179.01 177.18 3k7d h ALA 770 N 1.70 0.22 -0.59 3.43 0.00 -1.81 -2.17 119.26 120.03 3k7d h ALA 770 Ca 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 3k7d h ALA 770 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k7d h ALA 770 CO 0.03 1.06 0.28 0.35 0.00 0.00 0.00 179.25 180.97 3k7d h PHE 771 N 0.06 0.86 0.17 0.00 3.57 -0.86 -0.30 116.94 120.43 3k7d h PHE 771 Ca -0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3k7d h PHE 771 Cb 1.85 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3k7d h PHE 771 CO 0.04 0.66 -0.08 0.00 -2.23 0.00 0.00 178.31 176.69 3k7d h ALA 772 N 1.12 -0.23 -0.72 2.41 0.00 -1.12 -1.23 119.26 119.49 3k7d h ALA 772 Ca 0.20 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3k7d h ALA 772 Cb 0.12 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 3k7d h ALA 772 CO -0.03 -0.49 0.14 0.22 0.00 0.00 0.00 179.25 179.10 3k7d h ASP 773 N -0.50 -0.04 -0.35 0.00 3.58 -1.32 -1.44 116.42 116.35 3k7d h ASP 773 Ca -0.02 0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 3k7d h ASP 773 Cb 0.39 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 3k7d h ASP 773 CO 0.04 -0.05 -0.00 0.22 -2.88 0.00 0.00 179.24 176.56 3k7d h TYR 774 N 0.24 0.67 -0.79 0.28 3.20 -0.82 0.38 116.97 120.13 3k7d h TYR 774 Ca 0.40 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3k7d h TYR 774 Cb 0.68 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3k7d h TYR 774 CO -0.28 0.72 0.36 1.96 -1.64 0.00 0.00 178.16 179.28 3k7d h GLN 775 N 0.42 1.15 -0.09 1.82 1.08 -0.86 0.41 115.11 119.04 3k7d h GLN 775 Ca 0.10 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 56.94 3k7d h GLN 775 Cb 0.46 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3k7d h GLN 775 CO 0.02 0.90 -0.63 0.87 -0.95 0.00 0.00 178.83 179.04 3k7d h LYS 776 N 1.13 0.59 0.00 1.46 1.57 -1.04 -3.36 116.57 116.92 3k7d h LYS 776 Ca 0.27 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 3k7d h LYS 776 Cb 0.15 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3k7d h LYS 776 CO -0.03 1.13 -1.92 0.09 -0.57 0.00 0.00 179.45 178.15 3k7d n ASN 777 N -4.13 0.75 0.00 0.86 3.02 0.10 -4.80 115.26 111.06 3k7d n ASN 777 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3k7d n ASN 777 Cb 0.67 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 41.49 3k7d n ASN 777 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k7d n GLU 778 N -2.25 1.66 -1.73 3.52 1.02 0.13 -5.05 120.64 117.94 3k7d n GLU 778 Ca -0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 3k7d n GLU 778 Cb 0.61 -0.84 -0.00 0.00 -0.02 0.00 0.00 31.44 31.19 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 -1.78 1.68 -1.68 0.62 0.00 -0.09 -5.00 120.51 114.27 3k7d n ALA 779 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 3k7d n ALA 779 Cb 0.34 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.12 3.14 0.28 0.00 0.52 -1.26 -4.91 118.94 115.58 3k7d s TRP 780 Ca 0.55 1.21 0.01 0.00 0.02 0.00 0.00 56.10 57.90 3k7d s TRP 780 Cb -0.53 -2.99 0.55 0.00 -1.15 0.00 0.00 33.47 29.35 3k7d s TRP 780 CO 0.62 -1.33 1.82 1.15 0.02 0.00 0.00 176.95 179.23 3k7d h THR 781 N -0.78 0.89 0.00 2.01 2.02 -1.99 0.94 112.91 116.01 3k7d h THR 781 Ca -0.45 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3k7d h THR 781 Cb 1.24 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3k7d h THR 781 CO 0.60 0.17 -0.07 4.11 0.37 0.00 0.00 175.52 180.71 3k7d h TRP 782 N 0.94 0.00 -0.24 3.16 5.08 -1.95 0.58 115.95 123.52 3k7d h TRP 782 Ca 0.49 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 60.29 3k7d h TRP 782 Cb 0.51 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.67 3k7d h TRP 782 CO -0.01 0.07 -0.53 0.93 -1.28 0.00 0.00 178.44 177.61 3k7d h GLU 783 N 0.00 0.69 -0.23 0.12 5.08 -1.22 -1.45 114.58 117.57 3k7d h GLU 783 Ca -0.00 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 3k7d h GLU 783 Cb 0.12 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3k7d h GLU 783 CO 0.01 1.05 -0.11 0.45 -1.00 0.00 0.00 179.01 179.41 3k7d h HIS 784 N 0.53 0.56 -0.54 4.33 3.86 -0.20 -1.52 115.15 122.18 3k7d h HIS 784 Ca 0.01 -0.14 0.08 0.00 -1.16 0.00 0.00 60.37 59.17 3k7d h HIS 784 Cb 1.10 -0.13 -0.10 0.00 1.06 0.00 0.00 27.41 29.34 3k7d h HIS 784 CO 0.06 0.75 -0.44 1.96 0.86 0.00 0.00 177.93 181.12 3k7d h GLN 785 N 0.20 -0.25 -0.37 2.45 4.20 0.10 -0.07 115.11 121.38 3k7d h GLN 785 Ca 0.05 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.85 3k7d h GLN 785 Cb 0.61 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3k7d h GLN 785 CO 0.03 -0.16 0.25 0.00 -0.67 0.00 0.00 178.83 178.28 3k7d h ALA 786 N 0.54 2.12 0.00 3.87 0.00 -1.02 -1.38 119.26 123.39 3k7d h ALA 786 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k7d h ALA 786 Cb 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k7d h ALA 786 CO -0.66 -0.21 -0.02 1.25 0.00 0.00 0.00 179.25 179.61 3k7d h LEU 787 N 0.17 0.00 -1.99 0.00 5.85 0.03 -2.48 115.31 116.90 3k7d h LEU 787 Ca 0.17 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.07 3k7d h LEU 787 Cb 0.44 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3k7d h LEU 787 CO -0.03 0.02 0.50 0.58 -0.34 0.00 0.00 178.44 179.18 3k7d h VAL 788 N 0.00 0.56 0.00 1.05 2.07 -0.61 -2.32 116.25 117.00 3k7d h VAL 788 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3k7d h VAL 788 Cb 0.81 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3k7d h VAL 788 CO 0.00 0.00 -1.29 -1.14 0.02 0.00 0.00 177.57 175.16 3k7d n ARG 789 N -4.15 0.32 -2.65 1.57 0.63 -0.93 -4.46 116.66 106.99 3k7d n ARG 789 Ca 0.12 -0.06 -0.37 0.00 -0.92 0.00 0.00 57.85 56.63 3k7d n ARG 789 Cb 0.75 -1.55 -0.05 0.00 0.45 0.00 0.00 32.46 32.06 3k7d n ARG 789 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k7d s ALA 790 N -3.24 3.19 0.04 5.13 0.00 -0.88 -3.93 121.76 122.08 3k7d s ALA 790 Ca 0.02 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 3k7d s ALA 790 Cb 0.15 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 20.07 3k7d s ALA 790 CO 0.85 -0.01 0.45 -0.98 0.00 0.00 0.00 175.76 176.07 3k7d s ARG 791 N -2.12 0.96 0.01 0.00 1.70 -0.55 -4.91 118.95 114.04 3k7d s ARG 791 Ca 0.52 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 3k7d s ARG 791 Cb -0.22 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 3k7d s ARG 791 CO 0.28 -0.33 1.36 0.08 -1.08 0.00 0.00 175.30 175.60 3k7d s VAL 792 N -2.41 3.76 -0.42 4.99 1.01 -1.26 0.71 120.40 126.77 3k7d s VAL 792 Ca -0.06 1.17 0.10 0.00 0.00 0.00 0.00 61.98 63.19 3k7d s VAL 792 Cb -0.01 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 3k7d s VAL 792 CO -0.02 0.02 0.39 1.33 0.00 0.00 0.00 175.10 176.83 3k7d n VAL 793 N 4.49 0.00 -3.67 2.92 0.24 0.44 -4.85 118.33 117.90 3k7d n VAL 793 Ca 0.12 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 3k7d n VAL 793 Cb 0.44 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.66 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 -1.97 -0.78 0.00 6.34 6.14 -0.80 -4.87 117.35 121.40 3k7d s TYR 794 Ca 0.03 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.33 3k7d s TYR 794 Cb 0.07 0.39 0.00 0.00 0.42 0.00 0.00 41.96 42.85 3k7d s TYR 794 CO 0.40 -0.42 0.00 0.41 0.64 0.00 0.00 175.55 176.57 3k7d n GLY 795 N 4.48 1.72 3.94 8.97 0.00 -1.26 0.48 105.19 123.51 3k7d n GLY 795 Ca -0.20 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 3.69 0.20 1.61 1.47 -1.26 -4.81 116.67 117.57 3k7d s ASP 796 Ca 0.00 0.24 -0.07 0.00 1.18 0.00 0.00 52.55 53.90 3k7d s ASP 796 Cb 0.00 -0.46 0.13 0.00 -0.34 0.00 0.00 42.92 42.25 3k7d s ASP 796 CO 0.00 -2.36 1.68 -0.65 0.68 0.00 0.00 175.17 174.53 3k7d h PRO 797 N -1.26 1.04 0.55 2.11 0.11 -2.00 -1.13 132.00 131.43 3k7d h PRO 797 Ca -0.43 -0.30 -0.02 0.00 0.11 0.00 0.00 66.00 65.36 3k7d h PRO 797 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k7d h PRO 797 CO 0.44 0.99 -0.38 0.37 -0.21 0.00 0.00 178.00 179.22 3k7d h GLN 798 N 0.97 -0.86 -0.64 1.05 4.15 -1.99 0.23 115.11 118.01 3k7d h GLN 798 Ca 0.18 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.68 3k7d h GLN 798 Cb 0.49 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3k7d h GLN 798 CO 0.02 -0.57 0.42 1.25 -1.93 0.00 0.00 178.83 178.02 3k7d h LEU 799 N -0.90 0.70 -0.57 -2.39 5.85 -1.94 0.56 115.31 116.63 3k7d h LEU 799 Ca -0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3k7d h LEU 799 Cb 0.74 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3k7d h LEU 799 CO 0.04 0.50 0.27 0.74 -0.34 0.00 0.00 178.44 179.65 3k7d h THR 800 N 0.82 1.21 -0.53 1.05 2.02 -0.96 0.31 112.91 116.82 3k7d h THR 800 Ca 0.24 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3k7d h THR 800 Cb -0.03 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3k7d h THR 800 CO -0.06 0.24 0.31 0.00 0.37 0.00 0.00 175.52 176.38 3k7d h ALA 801 N 1.10 0.68 0.14 6.16 0.00 0.01 0.14 119.26 127.50 3k7d h ALA 801 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k7d h ALA 801 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3k7d h ALA 801 CO -0.02 0.18 -0.07 1.25 0.00 0.00 0.00 179.25 180.59 3k7d h HIS 802 N 0.71 -0.18 -0.51 0.00 6.17 -0.52 -1.36 115.15 119.47 3k7d h HIS 802 Ca 0.19 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.29 3k7d h HIS 802 Cb 0.01 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 3k7d h HIS 802 CO -0.02 -0.07 0.30 0.35 0.71 0.00 0.00 177.93 179.21 3k7d h PHE 803 N -0.24 0.57 -0.48 5.26 3.57 -0.70 -1.89 116.94 123.04 3k7d h PHE 803 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3k7d h PHE 803 Cb 0.19 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3k7d h PHE 803 CO -0.05 0.33 0.21 -0.44 -2.23 0.00 0.00 178.31 176.12 3k7d h ASP 804 N 0.61 0.64 -0.28 0.41 3.32 -0.36 0.35 116.42 121.11 3k7d h ASP 804 Ca 0.20 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3k7d h ASP 804 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3k7d h ASP 804 CO -0.09 0.61 -0.29 0.00 -1.72 0.00 0.00 179.24 177.75 3k7d h ALA 805 N 1.05 0.80 0.15 3.45 0.00 -1.25 0.47 119.26 123.94 3k7d h ALA 805 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3k7d h ALA 805 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k7d h ALA 805 CO -0.02 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.09 3k7d h VAL 806 N 0.67 0.91 -0.84 0.00 2.07 -0.84 -1.37 116.25 116.85 3k7d h VAL 806 Ca 0.08 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3k7d h VAL 806 Cb 0.82 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3k7d h VAL 806 CO 0.07 0.06 0.51 -0.09 0.02 0.00 0.00 177.57 178.14 3k7d h ARG 807 N -0.32 1.13 -0.44 1.57 2.43 -0.87 -0.92 114.38 116.97 3k7d h ARG 807 Ca -0.02 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3k7d h ARG 807 Cb 0.25 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3k7d h ARG 807 CO 0.03 0.79 0.20 -0.09 -1.51 0.00 0.00 179.97 179.40 3k7d h ARG 808 N 1.15 0.62 -0.01 0.20 2.43 -0.76 0.84 114.38 118.85 3k7d h ARG 808 Ca 0.30 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.17 3k7d h ARG 808 Cb -0.06 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3k7d h ARG 808 CO -0.06 0.49 -0.94 1.49 -1.51 0.00 0.00 179.97 179.45 3k7d h GLU 809 N 0.62 0.49 -0.39 0.20 4.81 -0.31 -2.47 114.58 117.52 3k7d h GLU 809 Ca 0.16 -0.51 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3k7d h GLU 809 Cb 0.09 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3k7d h GLU 809 CO -0.02 1.15 -0.01 0.82 -0.73 0.00 0.00 179.01 180.22 3k7d h ILE 810 N 0.28 1.26 -0.41 2.32 5.03 -0.61 -3.03 117.51 122.35 3k7d h ILE 810 Ca -0.09 -1.02 0.07 0.00 -0.12 0.00 0.00 64.86 63.71 3k7d h ILE 810 Cb 1.58 1.14 -0.06 0.00 -3.03 0.00 0.00 36.82 36.44 3k7d h ILE 810 CO 0.17 0.34 0.01 0.24 -0.68 0.00 0.00 178.15 178.23 3k7d h MET 811 N 0.52 0.12 -0.62 2.37 2.86 -0.81 -2.88 114.93 116.50 3k7d h MET 811 Ca 0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3k7d h MET 811 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3k7d h MET 811 CO 0.02 0.08 0.00 0.25 1.06 0.00 0.00 176.91 178.32 3k7d n THR 812 N -5.18 0.96 -1.74 2.22 -2.24 -0.94 -4.42 114.28 102.94 3k7d n THR 812 Ca 0.03 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 3k7d n THR 812 Cb 0.21 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3k7d n THR 812 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k7d n LEU 813 N 0.39 4.27 -4.70 3.22 4.77 -1.09 -4.04 117.00 119.82 3k7d n LEU 813 Ca 0.13 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.82 3k7d n LEU 813 Cb 0.53 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 3k7d n LEU 813 CO 0.12 0.13 1.19 -2.16 -1.33 0.00 0.00 177.39 175.34 3k7d s PRO 814 N -0.31 4.25 -0.03 3.23 0.04 -1.26 -4.53 135.00 136.39 3k7d s PRO 814 Ca 0.65 2.20 0.04 0.00 0.04 0.00 0.00 61.00 63.94 3k7d s PRO 814 Cb -0.50 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.64 3k7d s PRO 814 CO 0.47 -0.59 -0.16 1.03 0.04 0.00 0.00 177.00 177.79 3k7d s ARG 815 N 1.81 1.47 0.03 4.56 0.52 -1.26 -5.10 118.95 120.98 3k7d s ARG 815 Ca 0.68 -0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 3k7d s ARG 815 Cb -0.38 -1.34 -0.08 0.00 0.52 0.00 0.00 34.95 33.67 3k7d s ARG 815 CO 0.30 0.27 1.71 -1.21 0.02 0.00 0.00 175.30 176.39 3k7d s GLU 816 N -0.11 4.18 0.08 3.54 2.02 -1.26 -4.92 118.70 122.24 3k7d s GLU 816 Ca 0.00 2.35 -0.30 0.00 0.02 0.00 0.00 54.97 57.04 3k7d s GLU 816 Cb -0.09 -3.79 -0.16 0.00 0.10 0.00 0.00 34.13 30.19 3k7d s GLU 816 CO 0.01 -0.80 1.64 0.78 0.02 0.00 0.00 175.26 176.91 3k7d h GLY 817 N 9.33 -0.71 1.30 -1.39 0.00 -1.99 -1.96 103.07 107.66 3k7d h GLY 817 Ca -0.43 0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3k7d h GLY 817 CO 0.94 -0.27 -0.39 1.70 0.00 0.00 0.00 176.54 178.52 3k7d h LYS 818 N -0.68 0.76 -0.44 4.80 3.64 -1.99 -1.33 116.57 121.34 3k7d h LYS 818 Ca -0.05 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.01 3k7d h LYS 818 Cb 0.55 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 3k7d h LYS 818 CO 0.05 1.02 0.06 1.15 -2.27 0.00 0.00 179.45 179.47 3k7d h THR 819 N 0.63 0.74 -0.71 1.00 2.02 -1.95 0.70 112.91 115.34 3k7d h THR 819 Ca 0.05 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3k7d h THR 819 Cb 0.94 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3k7d h THR 819 CO 0.09 0.03 0.24 0.25 0.37 0.00 0.00 175.52 176.50 3k7d h LEU 820 N 0.19 1.00 -0.34 2.58 5.85 -1.11 -1.03 115.31 122.45 3k7d h LEU 820 Ca 0.22 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3k7d h LEU 820 Cb 0.29 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3k7d h LEU 820 CO -0.30 0.91 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.05 3k7d h GLN 821 N 1.04 0.63 -0.64 1.25 4.15 -0.67 -0.04 115.11 120.83 3k7d h GLN 821 Ca 0.23 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3k7d h GLN 821 Cb 0.26 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3k7d h GLN 821 CO -0.01 0.78 0.37 1.15 -1.93 0.00 0.00 178.83 179.19 3k7d h THR 822 N 0.42 1.02 -0.44 2.39 2.02 -0.67 -0.33 112.91 117.32 3k7d h THR 822 Ca 0.09 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3k7d h THR 822 Cb 0.53 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3k7d h THR 822 CO 0.03 0.13 0.16 -0.33 0.37 0.00 0.00 175.52 175.88 3k7d h GLU 823 N 0.71 0.66 -0.16 6.66 5.08 -0.72 -1.25 114.58 125.55 3k7d h GLU 823 Ca 0.27 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3k7d h GLU 823 Cb 0.10 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k7d h GLU 823 CO -0.14 0.62 -0.38 0.28 -1.00 0.00 0.00 179.01 178.39 3k7d h VAL 824 N 0.56 1.35 -0.05 3.13 2.07 -0.80 -2.50 116.25 120.02 3k7d h VAL 824 Ca 0.14 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3k7d h VAL 824 Cb 0.22 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3k7d h VAL 824 CO -0.01 0.50 0.03 -0.09 0.02 0.00 0.00 177.57 178.02 3k7d h ARG 825 N 0.19 0.06 -0.82 1.57 2.43 -1.00 -1.11 114.38 115.71 3k7d h ARG 825 Ca -0.00 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3k7d h ARG 825 Cb 0.99 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 3k7d h ARG 825 CO 0.08 0.08 0.53 1.49 -1.51 0.00 0.00 179.97 180.64 3k7d h GLU 826 N 0.03 0.84 -0.08 0.20 4.81 -1.26 -1.86 114.58 117.25 3k7d h GLU 826 Ca 0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3k7d h GLU 826 Cb 0.03 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3k7d h GLU 826 CO -0.00 0.55 -0.12 1.98 -0.73 0.00 0.00 179.01 180.69 3k7d h MET 827 N 0.86 0.23 -0.55 1.92 4.05 -1.11 -1.74 114.93 118.60 3k7d h MET 827 Ca 0.36 -0.14 0.11 0.00 -0.28 0.00 0.00 59.70 59.75 3k7d h MET 827 Cb 0.29 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.99 3k7d h MET 827 CO -0.13 0.70 -0.14 -0.09 0.23 0.00 0.00 176.91 177.48 3k7d h ARG 828 N -0.22 -0.00 -0.67 0.39 9.65 -0.97 -0.48 114.38 122.08 3k7d h ARG 828 Ca 0.01 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 3k7d h ARG 828 Cb 0.68 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 3k7d h ARG 828 CO 0.03 -0.00 0.10 0.93 2.80 0.00 0.00 179.97 183.83 3k7d h GLU 829 N -0.00 1.12 -0.34 0.20 5.08 -1.09 -0.59 114.58 118.96 3k7d h GLU 829 Ca 0.26 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3k7d h GLU 829 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3k7d h GLU 829 CO -0.56 1.03 0.14 -0.22 -1.00 0.00 0.00 179.01 178.39 3k7d h LYS 830 N 1.04 0.51 -1.00 2.33 1.63 -1.05 -2.12 116.57 117.91 3k7d h LYS 830 Ca 0.20 -0.09 0.11 0.00 -0.85 0.00 0.00 60.65 60.02 3k7d h LYS 830 Cb 0.45 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.92 3k7d h LYS 830 CO 0.01 0.50 0.63 0.52 -3.45 0.00 0.00 179.45 177.67 3k7d h MET 831 N 0.40 1.00 0.00 1.90 2.86 -0.67 -2.48 114.93 117.95 3k7d h MET 831 Ca 0.11 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3k7d h MET 831 Cb 0.18 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3k7d h MET 831 CO -0.01 0.66 -0.42 -0.09 1.06 0.00 0.00 176.91 178.11 3k7d h ARG 832 N 1.03 0.00 0.00 1.72 2.43 -0.62 -0.50 114.38 118.44 3k7d h ARG 832 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 3k7d h ARG 832 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3k7d h ARG 832 CO -0.24 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 3k7d h ALA 833 N 1.58 1.00 0.00 2.80 0.00 -0.92 -3.28 119.26 120.45 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 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k7d h ALA 833 CO 0.05 0.00 -0.44 0.72 0.00 0.00 0.00 179.25 179.58 3k7d n HIS 834 N -3.03 0.00 -4.33 0.00 8.25 -0.53 -5.05 115.22 110.53 3k7d n HIS 834 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 3k7d n HIS 834 Cb 0.32 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 3k7d n HIS 834 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k7d s LEU 835 N -2.46 2.25 0.00 2.41 1.02 -0.31 -5.07 118.68 116.52 3k7d s LEU 835 Ca 0.02 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.57 3k7d s LEU 835 Cb 0.06 -0.77 0.00 0.00 0.02 0.00 0.00 46.19 45.49 3k7d s LEU 835 CO 0.31 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.33 3k7d n GLY 836 N 1.38 -1.05 3.75 -3.19 0.00 -1.26 -4.79 105.19 100.02 3k7d n GLY 836 Ca -0.19 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 3k7d n GLY 836 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k7d s ASN 837 N -2.72 6.56 0.00 1.61 3.84 -1.26 -4.94 114.94 118.02 3k7d s ASN 837 Ca 0.00 2.76 0.21 0.00 0.21 0.00 0.00 52.86 56.04 3k7d s ASN 837 Cb 0.00 -2.63 0.51 0.00 -0.55 0.00 0.00 41.25 38.58 3k7d s ASN 837 CO 0.00 -0.78 1.43 2.29 -2.79 0.00 0.00 177.10 177.25 3k7d n LYS 838 N 2.34 2.61 -3.10 0.43 2.85 -1.26 -4.77 118.16 117.26 3k7d n LYS 838 Ca 0.07 -2.41 -0.39 0.00 -1.05 0.00 0.00 58.31 54.54 3k7d n LYS 838 Cb 0.39 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.22 3k7d n LYS 838 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3k7d s HIS 839 N -1.15 3.73 0.34 5.58 3.76 -1.26 -4.96 115.29 121.33 3k7d s HIS 839 Ca 0.41 1.35 0.02 0.00 -0.15 0.00 0.00 55.06 56.69 3k7d s HIS 839 Cb 0.22 -2.70 0.60 0.00 1.11 0.00 0.00 32.58 31.80 3k7d s HIS 839 CO 0.30 0.35 1.94 0.00 -0.85 0.00 0.00 174.74 176.47 3k7d h ARG 840 N 5.47 0.72 -0.11 1.40 3.08 -2.04 -2.72 114.38 120.18 3k7d h ARG 840 Ca -0.45 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3k7d h ARG 840 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3k7d h ARG 840 CO 0.69 0.58 0.00 -0.40 -1.07 0.00 0.00 179.97 179.77 3k7d n ASP 841 N -4.36 1.00 -4.41 7.04 5.75 -1.26 -4.84 116.55 115.46 3k7d n ASP 841 Ca 0.04 -1.65 -0.25 0.00 -0.01 0.00 0.00 54.79 52.92 3k7d n ASP 841 Cb 0.14 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.86 1.49 -0.34 0.11 1.81 -1.03 -2.63 118.95 116.51 3k7d s ARG 842 Ca 0.28 -1.54 -0.02 0.00 -1.72 0.00 0.00 55.73 52.73 3k7d s ARG 842 Cb 0.14 -1.72 0.08 0.00 -0.45 0.00 0.00 34.95 32.99 3k7d s ARG 842 CO 0.22 0.36 0.08 0.12 -0.68 0.00 0.00 175.30 175.40 3k7d s PHE 843 N -1.89 3.43 -0.34 -0.53 5.36 0.17 -4.73 117.98 119.44 3k7d s PHE 843 Ca 0.21 -2.17 -0.29 0.00 -0.96 0.00 0.00 56.93 53.72 3k7d s PHE 843 Cb -0.07 -2.58 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 3k7d s PHE 843 CO 0.10 -0.88 1.53 0.34 -1.46 0.00 0.00 175.22 174.85 3k7d s ASP 844 N 1.42 6.29 0.23 6.13 -1.08 -1.26 -1.06 116.67 127.34 3k7d s ASP 844 Ca 0.01 1.15 -0.08 0.00 -0.52 0.00 0.00 52.55 53.11 3k7d s ASP 844 Cb -0.21 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 38.92 3k7d s ASP 844 CO -0.03 -1.41 1.86 0.40 0.52 0.00 0.00 175.17 176.51 3k7d h ILE 845 N 6.41 1.25 0.01 4.11 2.04 -1.82 -0.07 117.51 129.44 3k7d h ILE 845 Ca -0.30 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 3k7d h ILE 845 Cb 1.13 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3k7d h ILE 845 CO 1.05 0.27 -0.16 0.50 0.00 0.00 0.00 178.15 179.81 3k7d h LYS 846 N 1.21 0.09 0.00 2.37 3.64 -1.91 -0.66 116.57 121.31 3k7d h LYS 846 Ca 0.31 -0.11 -0.28 0.00 -1.27 0.00 0.00 60.65 59.30 3k7d h LYS 846 Cb -0.01 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3k7d h LYS 846 CO -0.05 0.92 -1.91 0.00 -2.27 0.00 0.00 179.45 176.13 3k7d n ALA 847 N -2.55 1.66 -1.78 5.00 0.00 -0.91 -1.43 120.51 120.50 3k7d n ALA 847 Ca -0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 53.44 52.13 3k7d n ALA 847 Cb 0.49 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 19.38 3k7d n ALA 847 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k7d s ASP 848 N -5.72 5.07 -0.15 0.00 1.01 -0.09 -4.86 116.67 111.93 3k7d s ASP 848 Ca -0.06 1.16 -0.36 0.00 0.71 0.00 0.00 52.55 53.99 3k7d s ASP 848 Cb 0.08 -1.91 -0.13 0.00 1.01 0.00 0.00 42.92 41.97 3k7d s ASP 848 CO 0.83 -1.58 1.83 -0.62 0.21 0.00 0.00 175.17 175.84 3k7d n GLU 849 N -3.17 1.83 -0.40 8.23 1.02 -1.26 -1.02 120.64 125.87 3k7d n GLU 849 Ca 0.07 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3k7d n GLU 849 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 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 4.33 0.77 0.00 0.62 0.00 -1.26 -4.89 105.19 104.76 3k7d n GLY 850 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.40 3.03 0.24 -0.02 0.00 -0.19 -4.23 105.19 101.62 3k7d n GLY 851 Ca 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 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 0.13 1.27 -0.33 -0.61 2.04 -0.92 -2.98 117.51 116.11 3k7d h ILE 852 Ca 0.00 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3k7d h ILE 852 Cb 0.00 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3k7d h ILE 852 CO 0.00 0.40 -0.09 0.74 0.00 0.00 0.00 178.15 179.20 3k7d h THR 853 N 0.64 1.23 -0.50 -0.27 2.02 -1.52 -0.94 112.91 113.57 3k7d h THR 853 Ca 0.11 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.39 3k7d h THR 853 Cb 0.61 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 3k7d h THR 853 CO 0.04 0.33 0.16 0.44 0.37 0.00 0.00 175.52 176.85 3k7d h ASP 854 N 0.51 0.14 -0.55 4.18 5.19 -1.75 0.49 116.42 124.64 3k7d h ASP 854 Ca 0.10 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 3k7d h ASP 854 Cb 0.46 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 3k7d h ASP 854 CO 0.02 0.10 0.08 0.40 -3.12 0.00 0.00 179.24 176.73 3k7d h ILE 855 N 0.32 1.25 -0.95 0.35 2.04 -1.15 -1.59 117.51 117.78 3k7d h ILE 855 Ca 0.24 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3k7d h ILE 855 Cb 0.28 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3k7d h ILE 855 CO -0.26 0.35 0.60 -0.08 0.00 0.00 0.00 178.15 178.76 3k7d h GLU 856 N 0.80 1.26 -0.03 2.37 4.81 -0.67 -1.23 114.58 121.89 3k7d h GLU 856 Ca 0.16 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 59.11 3k7d h GLU 856 Cb 0.42 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3k7d h GLU 856 CO 0.01 0.86 -0.82 0.74 -0.73 0.00 0.00 179.01 179.06 3k7d h PHE 857 N 1.29 0.45 -0.32 0.92 -1.00 -0.67 -1.04 116.94 116.57 3k7d h PHE 857 Ca 0.34 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3k7d h PHE 857 Cb -0.11 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 3k7d h PHE 857 CO 0.00 1.01 0.21 0.82 -1.61 0.00 0.00 178.31 178.74 3k7d h ILE 858 N 0.19 1.09 -0.33 -0.55 2.04 -0.76 0.80 117.51 120.00 3k7d h ILE 858 Ca -0.05 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3k7d h ILE 858 Cb 1.43 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3k7d h ILE 858 CO 0.13 0.09 -0.01 0.71 0.00 0.00 0.00 178.15 179.07 3k7d h THR 859 N 0.43 1.26 -0.41 -0.27 1.35 -1.07 -1.64 112.91 112.56 3k7d h THR 859 Ca 0.12 -0.98 -0.04 0.00 -0.55 0.00 0.00 66.41 64.96 3k7d h THR 859 Cb -0.04 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3k7d h THR 859 CO -0.02 0.32 0.11 1.56 -0.25 0.00 0.00 175.52 177.23 3k7d h GLN 860 N 0.39 0.65 -0.17 4.72 4.20 -1.18 -1.90 115.11 121.83 3k7d h GLN 860 Ca 0.09 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.70 3k7d h GLN 860 Cb 0.46 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.09 3k7d h GLN 860 CO 0.02 0.66 -0.29 -0.92 -0.67 0.00 0.00 178.83 177.63 3k7d h TYR 861 N 0.52 -0.80 -0.52 2.96 3.20 -0.72 -2.06 116.97 119.56 3k7d h TYR 861 Ca 0.13 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3k7d h TYR 861 Cb 0.30 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3k7d h TYR 861 CO 0.02 -0.37 0.07 -0.07 -1.64 0.00 0.00 178.16 176.16 3k7d h LEU 862 N -0.35 0.78 -0.44 2.82 3.38 -1.16 -0.50 115.31 119.84 3k7d h LEU 862 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3k7d h LEU 862 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3k7d h LEU 862 CO -0.36 0.80 0.11 0.58 0.09 0.00 0.00 178.44 179.66 3k7d h VAL 863 N 0.78 1.23 -0.04 1.22 2.07 -1.16 -1.38 116.25 118.97 3k7d h VAL 863 Ca 0.16 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3k7d h VAL 863 Cb 0.37 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3k7d h VAL 863 CO 0.01 0.28 -0.45 -0.07 0.02 0.00 0.00 177.57 177.36 3k7d h LEU 864 N 0.58 0.10 -0.07 2.57 3.38 -1.10 -0.29 115.31 120.48 3k7d h LEU 864 Ca 0.14 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 3k7d h LEU 864 Cb 0.31 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3k7d h LEU 864 CO 0.00 0.54 -1.02 -0.09 0.09 0.00 0.00 178.44 177.96 3k7d h ARG 865 N 0.08 0.53 -0.00 1.13 2.43 -0.93 -3.40 114.38 114.22 3k7d h ARG 865 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3k7d h ARG 865 Cb 0.84 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3k7d h ARG 865 CO 0.06 1.22 -0.18 0.66 -1.51 0.00 0.00 179.97 180.22 3k7d n TYR 866 N -3.78 0.00 -0.01 2.20 4.01 -0.54 -4.59 117.16 114.46 3k7d n TYR 866 Ca -0.09 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.70 3k7d n TYR 866 Cb 0.88 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 40.34 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 0.63 1.76 -0.98 -0.72 0.00 -1.23 0.16 119.26 118.87 3k7d h ALA 867 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3k7d h ALA 867 Cb 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3k7d h ALA 867 CO 0.00 0.20 0.62 1.25 0.00 0.00 0.00 179.25 181.32 3k7d h HIS 868 N 0.53 1.05 0.01 0.00 -0.00 -1.77 -2.00 115.15 112.97 3k7d h HIS 868 Ca 0.17 0.03 -0.28 0.00 -0.00 0.00 0.00 60.37 60.29 3k7d h HIS 868 Cb 0.04 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.07 3k7d h HIS 868 CO -0.00 0.37 -1.62 0.93 -0.00 0.00 0.00 177.93 177.61 3k7d h GLU 869 N 0.88 0.02 -2.32 5.26 5.08 -1.32 -3.42 114.58 118.76 3k7d h GLU 869 Ca 0.50 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 58.24 3k7d h GLU 869 Cb 0.63 0.01 -0.39 0.00 0.50 0.00 0.00 28.75 29.50 3k7d h GLU 869 CO -0.27 0.61 -0.94 1.63 -1.00 0.00 0.00 179.01 179.04 3k7d n LYS 870 N -3.12 0.75 0.29 2.33 4.76 0.35 -5.01 118.16 118.51 3k7d n LYS 870 Ca -0.15 -3.47 0.18 0.00 -2.87 0.00 0.00 58.31 52.00 3k7d n LYS 870 Cb 1.04 -1.65 0.98 0.00 -1.84 0.00 0.00 35.03 33.56 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 4.96 0.00 0.00 1.97 0.11 -1.63 -0.37 132.00 137.03 3k7d h PRO 871 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3k7d h PRO 871 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3k7d h PRO 871 CO 0.48 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.14 3k7d h LYS 872 N 0.00 0.00 0.00 1.05 1.57 -1.95 -2.19 116.57 115.05 3k7d h LYS 872 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3k7d h LYS 872 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3k7d h LYS 872 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3k7d n LEU 873 N -2.42 0.56 -0.02 2.94 4.77 -0.15 -2.15 117.00 120.53 3k7d n LEU 873 Ca -0.01 0.72 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 3k7d n LEU 873 Cb 0.08 -0.75 0.36 0.00 -2.33 0.00 0.00 43.42 40.78 3k7d n LEU 873 CO 0.14 -0.82 0.60 0.35 -1.33 0.00 0.00 177.39 176.32 3k7d n THR 874 N -2.21 0.00 0.25 -5.08 -2.24 -0.82 -4.47 114.28 99.71 3k7d n THR 874 Ca -0.00 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 3k7d n THR 874 Cb 0.09 0.07 0.65 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.09 0.00 -4.70 -0.78 3.08 -1.65 -3.44 114.38 106.98 3k7d h ARG 875 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3k7d h ARG 875 Cb 0.49 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.38 3k7d h ARG 875 CO 0.00 0.13 -0.71 -1.58 -1.07 0.00 0.00 179.97 176.74 3k7d s TRP 876 N -3.88 0.89 -0.55 3.04 0.52 -1.26 -5.07 118.94 112.64 3k7d s TRP 876 Ca -0.01 -0.79 0.04 0.00 0.02 0.00 0.00 56.10 55.36 3k7d s TRP 876 Cb 0.11 -0.51 0.03 0.00 -1.15 0.00 0.00 33.47 31.96 3k7d s TRP 876 CO 0.59 -0.10 0.63 -1.13 0.02 0.00 0.00 176.95 176.95 3k7d n SER 877 N 0.31 1.34 -4.90 2.95 3.41 -1.26 -4.70 113.62 110.78 3k7d n SER 877 Ca -0.15 -1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 57.06 3k7d n SER 877 Cb 0.59 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.39 5.97 0.17 4.04 -4.77 -1.26 -4.40 116.67 116.03 3k7d s ASP 878 Ca 0.05 -0.03 -0.12 0.00 -3.30 0.00 0.00 52.55 49.15 3k7d s ASP 878 Cb 0.04 -1.67 0.07 0.00 -1.09 0.00 0.00 42.92 40.27 3k7d s ASP 878 CO 0.06 -0.01 1.73 0.78 0.70 0.00 0.00 175.17 178.42 3k7d h ASN 879 N 1.67 0.82 -0.15 2.11 2.35 -1.96 -0.14 115.58 120.27 3k7d h ASN 879 Ca -0.50 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.08 3k7d h ASN 879 Cb 1.22 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3k7d h ASN 879 CO 0.63 0.77 0.09 0.58 -1.65 0.00 0.00 177.43 177.84 3k7d h VAL 880 N 0.82 1.09 0.00 2.81 2.07 -1.94 -0.81 116.25 120.29 3k7d h VAL 880 Ca 0.20 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 3k7d h VAL 880 Cb 0.21 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3k7d h VAL 880 CO -0.02 0.09 -0.71 0.03 0.02 0.00 0.00 177.57 176.98 3k7d h ARG 881 N 0.15 0.00 -0.49 1.57 3.08 -1.95 -2.67 114.38 114.08 3k7d h ARG 881 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3k7d h ARG 881 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3k7d h ARG 881 CO -0.01 0.71 0.22 0.82 -1.07 0.00 0.00 179.97 180.65 3k7d h ILE 882 N 0.00 1.20 -0.57 2.04 2.04 -0.77 -0.70 117.51 120.74 3k7d h ILE 882 Ca -0.01 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3k7d h ILE 882 Cb 1.29 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3k7d h ILE 882 CO 0.09 0.22 0.31 -0.07 0.00 0.00 0.00 178.15 178.70 3k7d h LEU 883 N 0.64 0.72 -0.16 1.44 -0.00 -1.07 0.62 115.31 117.50 3k7d h LEU 883 Ca 0.17 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.00 3k7d h LEU 883 Cb 0.14 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.55 3k7d h LEU 883 CO -0.02 0.61 -0.31 -0.08 -0.00 0.00 0.00 178.44 178.65 3k7d h GLU 884 N 0.77 -0.35 -0.84 1.13 4.81 -1.39 -2.08 114.58 116.62 3k7d h GLU 884 Ca 0.20 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3k7d h GLU 884 Cb 0.06 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3k7d h GLU 884 CO -0.03 -0.24 0.55 -0.07 -0.73 0.00 0.00 179.01 178.49 3k7d h LEU 885 N -0.37 0.84 -1.13 1.64 3.38 -0.44 0.16 115.31 119.39 3k7d h LEU 885 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3k7d h LEU 885 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3k7d h LEU 885 CO -0.36 0.55 -0.39 -0.07 0.09 0.00 0.00 178.44 178.26 3k7d h LEU 886 N 0.96 0.08 0.01 1.67 4.07 -0.62 -1.88 115.31 119.60 3k7d h LEU 886 Ca 0.35 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.24 3k7d h LEU 886 Cb 0.17 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3k7d h LEU 886 CO -0.12 0.47 -0.18 0.00 -1.08 0.00 0.00 178.44 177.52 3k7d h ALA 887 N 1.54 0.01 -0.56 1.53 0.00 -0.62 -0.52 119.26 120.64 3k7d h ALA 887 Ca 0.01 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 54.58 3k7d h ALA 887 Cb 0.72 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3k7d h ALA 887 CO 0.05 0.04 0.39 1.96 0.00 0.00 0.00 179.25 181.69 3k7d h GLN 888 N -0.65 0.16 -0.45 0.00 4.20 -0.78 -2.03 115.11 115.56 3k7d h GLN 888 Ca -0.03 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3k7d h GLN 888 Cb 0.99 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 3k7d h GLN 888 CO 0.04 0.11 0.06 0.09 -0.67 0.00 0.00 178.83 178.45 3k7d n ASN 889 N -4.43 4.39 -2.50 1.46 3.02 -0.73 -4.95 115.26 111.52 3k7d n ASN 889 Ca 0.10 -3.13 -0.21 0.00 -0.03 0.00 0.00 54.58 51.31 3k7d n ASN 889 Cb 0.51 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.24 -5.86 0.04 6.41 8.00 -0.76 -4.86 116.55 119.26 3k7d n ASP 890 Ca 0.29 -0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.52 3k7d n ASP 890 Cb 1.10 -4.86 -0.14 0.00 -0.02 0.00 0.00 41.12 37.19 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 1.11 -4.26 0.53 1.08 -1.36 -3.47 117.51 110.92 3k7d h ILE 891 Ca -0.49 -2.47 -0.61 0.00 -0.39 0.00 0.00 64.86 60.90 3k7d h ILE 891 Cb 1.36 2.83 -0.27 0.00 -3.07 0.00 0.00 36.82 37.67 3k7d h ILE 891 CO 0.57 0.75 -0.85 -0.32 -0.69 0.00 0.00 178.15 177.61 3k7d s MET 892 N -2.50 1.53 0.55 2.37 1.75 -0.80 -5.03 119.30 117.17 3k7d s MET 892 Ca -0.17 -0.92 -0.20 0.00 -1.25 0.00 0.00 55.69 53.15 3k7d s MET 892 Cb 0.04 -1.61 -0.05 0.00 2.84 0.00 0.00 34.83 36.05 3k7d s MET 892 CO 0.81 0.42 1.18 -1.21 -0.65 0.00 0.00 175.02 175.57 3k7d s GLU 893 N -1.01 3.24 0.20 4.11 2.02 -1.26 -4.17 118.70 121.83 3k7d s GLU 893 Ca 0.08 1.77 -0.10 0.00 0.02 0.00 0.00 54.97 56.74 3k7d s GLU 893 Cb -0.09 -2.05 0.22 0.00 0.10 0.00 0.00 34.13 32.31 3k7d s GLU 893 CO 0.01 -0.98 1.81 0.93 0.02 0.00 0.00 175.26 177.05 3k7d h GLU 894 N 1.22 0.65 -0.45 1.61 5.08 -1.96 -2.18 114.58 118.54 3k7d h GLU 894 Ca -0.50 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3k7d h GLU 894 Cb 1.28 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 3k7d h GLU 894 CO 0.57 0.43 0.07 0.37 -1.00 0.00 0.00 179.01 179.45 3k7d h GLN 895 N 0.67 0.19 -0.31 2.33 5.75 -1.99 -1.67 115.11 120.09 3k7d h GLN 895 Ca 0.29 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 3k7d h GLN 895 Cb 0.16 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3k7d h GLN 895 CO -0.17 0.13 0.09 1.49 -2.65 0.00 0.00 178.83 177.71 3k7d h GLU 896 N 0.20 0.48 -0.29 1.69 4.81 -1.88 -0.11 114.58 119.48 3k7d h GLU 896 Ca 0.22 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3k7d h GLU 896 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3k7d h GLU 896 CO -0.31 0.54 -0.07 0.00 -0.73 0.00 0.00 179.01 178.44 3k7d h ALA 897 N 0.92 1.34 0.01 2.92 0.00 -1.19 0.37 119.26 123.63 3k7d h ALA 897 Ca 0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 3k7d h ALA 897 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k7d h ALA 897 CO -0.00 0.45 -0.93 1.98 0.00 0.00 0.00 179.25 180.75 3k7d h MET 898 N 0.44 0.32 -0.31 0.00 1.85 -1.18 -1.50 114.93 114.54 3k7d h MET 898 Ca 0.09 -0.35 -0.11 0.00 -0.61 0.00 0.00 59.70 58.72 3k7d h MET 898 Cb 0.40 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 3k7d h MET 898 CO 0.02 1.05 -0.24 0.00 -0.40 0.00 0.00 176.91 177.34 3k7d h ALA 899 N 0.82 0.45 -0.74 0.39 0.00 -0.23 -2.32 119.26 117.63 3k7d h ALA 899 Ca -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3k7d h ALA 899 Cb 1.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3k7d h ALA 899 CO 0.15 0.43 0.31 -0.07 0.00 0.00 0.00 179.25 180.07 3k7d h LEU 900 N 0.48 1.01 -0.01 0.00 3.38 -0.98 -1.39 115.31 117.78 3k7d h LEU 900 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3k7d h LEU 900 Cb 0.80 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3k7d h LEU 900 CO 0.06 0.89 -0.14 0.74 0.09 0.00 0.00 178.44 180.08 3k7d h THR 901 N 1.07 0.65 -0.54 0.22 2.02 -1.18 0.13 112.91 115.28 3k7d h THR 901 Ca 0.25 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 3k7d h THR 901 Cb 0.19 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3k7d h THR 901 CO -0.02 0.00 0.06 0.03 0.37 0.00 0.00 175.52 175.96 3k7d h ARG 902 N -0.23 0.91 -0.42 6.66 3.08 -1.22 0.16 114.38 123.32 3k7d h ARG 902 Ca 0.05 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3k7d h ARG 902 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3k7d h ARG 902 CO -0.15 0.90 0.25 0.00 -1.07 0.00 0.00 179.97 179.90 3k7d h ALA 903 N 0.98 0.54 0.13 0.04 0.00 -1.09 -0.63 119.26 119.22 3k7d h ALA 903 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k7d h ALA 903 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3k7d h ALA 903 CO 0.02 0.03 -0.20 -0.92 0.00 0.00 0.00 179.25 178.18 3k7d h TYR 904 N 0.56 -0.51 -0.34 0.00 3.20 -0.30 -0.99 116.97 118.58 3k7d h TYR 904 Ca 0.15 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 3k7d h TYR 904 Cb 0.00 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3k7d h TYR 904 CO -0.03 -0.29 -0.14 1.79 -1.64 0.00 0.00 178.16 177.85 3k7d h THR 905 N -0.38 1.25 -0.40 1.81 1.35 -0.57 -0.30 112.91 115.67 3k7d h THR 905 Ca 0.02 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3k7d h THR 905 Cb 0.39 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 3k7d h THR 905 CO -0.10 0.37 0.23 0.74 -0.25 0.00 0.00 175.52 176.52 3k7d h THR 906 N 0.55 1.14 -0.27 6.82 2.02 -0.99 -0.70 112.91 121.47 3k7d h THR 906 Ca 0.10 -0.33 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 3k7d h THR 906 Cb 0.56 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3k7d h THR 906 CO 0.04 0.14 -0.47 -0.07 0.37 0.00 0.00 175.52 175.53 3k7d h LEU 907 N 0.52 0.88 -0.50 2.58 3.38 -0.95 -2.00 115.31 119.22 3k7d h LEU 907 Ca 0.14 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3k7d h LEU 907 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3k7d h LEU 907 CO -0.03 1.24 0.13 -0.09 0.09 0.00 0.00 178.44 179.79 3k7d h ARG 908 N 0.56 0.79 -0.02 1.13 2.43 -1.01 -2.75 114.38 115.50 3k7d h ARG 908 Ca 0.02 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 3k7d h ARG 908 Cb 1.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3k7d h ARG 908 CO 0.11 0.75 -0.54 -0.44 -1.51 0.00 0.00 179.97 178.34 3k7d h ASP 909 N 0.68 0.06 -0.85 -3.80 3.32 -1.16 -2.09 116.42 112.58 3k7d h ASP 909 Ca 0.16 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3k7d h ASP 909 Cb 0.31 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 3k7d h ASP 909 CO -0.00 0.59 0.53 -0.08 -1.72 0.00 0.00 179.24 178.56 3k7d h GLU 910 N 0.04 0.95 -0.82 3.56 4.57 -1.20 -2.08 114.58 119.60 3k7d h GLU 910 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3k7d h GLU 910 Cb 0.97 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3k7d h GLU 910 CO 0.07 0.63 0.47 -0.07 -1.18 0.00 0.00 179.01 178.94 3k7d h LEU 911 N 0.98 1.00 -0.98 1.64 3.38 -1.09 0.04 115.31 120.28 3k7d h LEU 911 Ca 0.37 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3k7d h LEU 911 Cb 0.14 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3k7d h LEU 911 CO -0.16 0.78 0.64 0.45 0.09 0.00 0.00 178.44 180.24 3k7d h HIS 912 N 1.13 1.21 -0.56 1.13 3.86 -1.23 -0.05 115.15 120.64 3k7d h HIS 912 Ca 0.29 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.44 3k7d h HIS 912 Cb -0.01 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.03 3k7d h HIS 912 CO 0.01 0.70 -0.01 1.25 0.86 0.00 0.00 177.93 180.73 3k7d h HIS 913 N 1.25 1.10 -0.32 2.45 -0.00 -0.61 -1.82 115.15 117.20 3k7d h HIS 913 Ca 0.39 -0.20 -0.10 0.00 -0.00 0.00 0.00 60.37 60.46 3k7d h HIS 913 Cb -0.01 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 3k7d h HIS 913 CO -0.00 0.99 -0.20 -0.07 -0.00 0.00 0.00 177.93 178.65 3k7d h LEU 914 N 0.89 0.73 -0.52 0.26 3.38 -0.50 -2.11 115.31 117.45 3k7d h LEU 914 Ca 0.16 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3k7d h LEU 914 Cb 0.56 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3k7d h LEU 914 CO 0.03 1.00 0.03 0.00 0.09 0.00 0.00 178.44 179.59 3k7d h ALA 915 N 0.75 0.52 0.00 1.53 0.00 -0.99 -0.10 119.26 120.97 3k7d h ALA 915 Ca 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k7d h ALA 915 Cb 0.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k7d h ALA 915 CO 0.06 -0.37 -0.01 -0.07 0.00 0.00 0.00 179.25 178.86 3k7d h LEU 916 N 0.15 0.00 -2.43 0.00 3.38 -0.69 -0.92 115.31 114.80 3k7d h LEU 916 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k7d h LEU 916 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3k7d h LEU 916 CO -0.41 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.13 3k7d n GLN 917 N -3.76 2.42 -3.54 1.13 1.13 -0.47 -2.71 117.38 111.57 3k7d n GLN 917 Ca -0.03 -2.21 -0.26 0.00 -1.94 0.00 0.00 57.00 52.56 3k7d n GLN 917 Cb 0.09 -1.45 0.01 0.00 0.11 0.00 0.00 30.24 29.00 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 1.26 -4.47 -3.97 -1.09 1.02 -0.32 -4.78 120.64 108.28 3k7d n GLU 918 Ca 0.18 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.65 3k7d n GLU 918 Cb 0.54 -5.40 -0.04 0.00 -0.02 0.00 0.00 31.44 26.52 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 -6.86 4.23 0.84 -4.62 1.43 -0.20 -5.02 118.68 108.48 3k7d s LEU 919 Ca 0.50 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 3k7d s LEU 919 Cb -0.25 -2.81 0.10 0.00 0.03 0.00 0.00 46.19 43.25 3k7d s LEU 919 CO 0.62 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 176.20 3k7d s PRO 920 N -3.17 1.72 0.00 1.29 0.04 -1.26 -4.34 135.00 129.27 3k7d s PRO 920 Ca 0.34 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3k7d s PRO 920 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3k7d s PRO 920 CO 0.27 -1.88 0.49 0.41 0.04 0.00 0.00 177.00 176.34 3k7d n GLY 921 N -1.83 1.08 3.18 0.56 0.00 -1.26 -4.71 105.19 102.20 3k7d n GLY 921 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.11 1.62 0.37 1.61 -3.43 -1.26 -2.20 115.29 110.88 3k7d s HIS 922 Ca 0.00 -0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.01 3k7d s HIS 922 Cb 0.00 -1.04 -0.07 0.00 -1.43 0.00 0.00 32.58 30.03 3k7d s HIS 922 CO 0.00 -0.03 0.03 0.14 -2.00 0.00 0.00 174.74 172.88 3k7d s VAL 923 N -0.43 1.65 0.47 -5.38 -7.23 -0.22 -4.90 120.40 104.37 3k7d s VAL 923 Ca 0.07 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.01 3k7d s VAL 923 Cb -0.07 -2.91 -0.09 0.00 0.56 0.00 0.00 36.38 33.87 3k7d s VAL 923 CO -0.01 -0.00 1.00 -0.24 -0.31 0.00 0.00 175.10 175.54 3k7d n SER 924 N -0.84 1.15 0.20 4.85 2.88 -1.26 0.46 113.62 121.05 3k7d n SER 924 Ca -0.04 0.97 0.14 0.00 -1.33 0.00 0.00 58.87 58.62 3k7d n SER 924 Cb 0.67 -1.37 0.68 0.00 -0.75 0.00 0.00 64.21 63.44 3k7d n SER 924 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3k7d h GLU 925 N 1.28 0.00 0.00 -1.46 4.11 -1.79 -0.85 114.58 115.87 3k7d h GLU 925 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 3k7d h GLU 925 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3k7d h GLU 925 CO 0.55 0.00 -0.03 -0.44 0.07 0.00 0.00 179.01 179.16 3k7d h ASP 926 N 0.00 0.00 -3.85 3.06 3.32 -1.90 -3.46 116.42 113.59 3k7d h ASP 926 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 3k7d h ASP 926 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3k7d h ASP 926 CO 0.00 0.03 0.19 0.00 -1.72 0.00 0.00 179.24 177.74 3k7d n PHE 928 N -0.55 -1.77 0.20 0.00 3.72 -1.26 -4.86 117.46 112.94 3k7d n PHE 928 Ca 0.05 0.40 0.04 0.00 -0.05 0.00 0.00 57.45 57.89 3k7d n PHE 928 Cb 0.53 -3.76 0.45 0.00 -0.94 0.00 0.00 39.48 35.77 3k7d n PHE 928 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3k7d h THR 929 N -0.98 1.17 -0.09 4.37 1.35 -1.89 -1.50 112.91 115.34 3k7d h THR 929 Ca -0.47 -0.78 -0.17 0.00 -0.55 0.00 0.00 66.41 64.44 3k7d h THR 929 Cb 1.32 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3k7d h THR 929 CO 0.53 0.23 -0.61 0.00 -0.25 0.00 0.00 175.52 175.42 3k7d h ALA 930 N 1.75 0.20 -0.41 6.62 0.00 -1.95 -2.13 119.26 123.34 3k7d h ALA 930 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3k7d h ALA 930 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3k7d h ALA 930 CO 0.03 0.46 0.25 0.93 0.00 0.00 0.00 179.25 180.92 3k7d h GLU 931 N 0.19 0.55 -0.51 0.00 3.07 -1.87 -2.44 114.58 113.57 3k7d h GLU 931 Ca -0.05 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.64 3k7d h GLU 931 Cb 1.26 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3k7d h GLU 931 CO 0.12 0.40 -0.16 0.00 -1.40 0.00 0.00 179.01 177.97 3k7d h ARG 932 N 0.54 1.01 -0.81 2.33 3.08 -1.32 -1.51 114.38 117.70 3k7d h ARG 932 Ca 0.15 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3k7d h ARG 932 Cb -0.01 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3k7d h ARG 932 CO -0.03 1.09 0.36 1.49 -1.07 0.00 0.00 179.97 181.81 3k7d h GLU 933 N 0.87 1.18 -0.11 0.04 4.81 -1.31 0.41 114.58 120.48 3k7d h GLU 933 Ca 0.12 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 3k7d h GLU 933 Cb 0.74 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3k7d h GLU 933 CO 0.06 0.93 -0.66 1.25 -0.73 0.00 0.00 179.01 179.86 3k7d h LEU 934 N 1.16 0.52 -0.04 1.64 6.46 -1.29 -1.43 115.31 122.34 3k7d h LEU 934 Ca 0.27 -0.31 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 3k7d h LEU 934 Cb 0.16 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3k7d h LEU 934 CO -0.03 1.04 -0.58 0.58 -0.62 0.00 0.00 178.44 178.83 3k7d h VAL 935 N 0.32 1.40 -0.98 1.05 2.07 -0.84 -2.54 116.25 116.73 3k7d h VAL 935 Ca -0.02 -1.98 0.19 0.00 0.82 0.00 0.00 66.70 65.71 3k7d h VAL 935 Cb 1.21 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 33.32 3k7d h VAL 935 CO 0.12 0.59 0.61 0.03 0.02 0.00 0.00 177.57 178.93 3k7d h ARG 936 N 0.00 0.68 -0.02 1.57 3.08 -0.20 0.16 114.38 119.65 3k7d h ARG 936 Ca -0.06 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.72 3k7d h ARG 936 Cb 1.26 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.16 3k7d h ARG 936 CO 0.12 0.45 -0.93 0.00 -1.07 0.00 0.00 179.97 178.54 3k7d h ALA 937 N 1.63 0.34 -0.38 0.04 0.00 -1.18 -0.19 119.26 119.52 3k7d h ALA 937 Ca 0.55 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3k7d h ALA 937 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3k7d h ALA 937 CO -0.32 0.77 0.12 0.77 0.00 0.00 0.00 179.25 180.59 3k7d h SER 938 N 0.29 0.55 0.08 0.00 0.02 -1.11 0.17 113.55 113.55 3k7d h SER 938 Ca -0.08 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3k7d h SER 938 Cb 1.56 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 3k7d h SER 938 CO 0.17 0.61 -0.31 -0.25 -1.14 0.00 0.00 176.83 175.90 3k7d h TRP 939 N 0.46 -0.85 -0.81 3.45 2.91 -0.59 0.12 115.95 120.63 3k7d h TRP 939 Ca 0.12 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.28 3k7d h TRP 939 Cb 0.26 0.37 -0.08 0.00 -0.51 0.00 0.00 29.16 29.19 3k7d h TRP 939 CO 0.01 -0.41 0.43 0.37 -1.03 0.00 0.00 178.44 177.81 3k7d h GLN 940 N -0.51 0.65 0.23 2.65 5.75 -0.94 0.36 115.11 123.30 3k7d h GLN 940 Ca 0.04 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3k7d h GLN 940 Cb 0.56 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3k7d h GLN 940 CO -0.21 0.43 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.07 3k7d h LYS 941 N 0.67 -0.30 0.04 1.69 3.64 0.13 -3.00 116.57 119.45 3k7d h LYS 941 Ca 0.42 0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.53 3k7d h LYS 941 Cb 0.50 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3k7d h LYS 941 CO -0.31 -0.04 -1.58 -1.49 -2.27 0.00 0.00 179.45 173.76 3k7d h TRP 942 N -0.54 0.17 0.00 1.91 4.06 -0.58 -3.34 115.95 117.63 3k7d h TRP 942 Ca -0.03 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.80 3k7d h TRP 942 Cb 0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 3k7d h TRP 942 CO 0.00 1.19 -0.91 1.28 -3.56 0.00 0.00 178.44 176.44 3k7d n LEU 943 N -3.25 0.48 -0.02 -4.49 7.99 0.12 -4.65 117.00 113.19 3k7d n LEU 943 Ca -0.16 -0.37 -0.02 0.00 -0.01 0.00 0.00 56.01 55.46 3k7d n LEU 943 Cb 1.03 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 44.32 3k7d n LEU 943 CO 0.46 0.12 -0.60 0.52 -1.51 0.00 0.00 177.39 176.38 3k7d n VAL 944 N -1.50 0.21 0.58 4.08 0.31 -1.19 -4.81 118.33 116.01 3k7d n VAL 944 Ca 0.01 -0.13 0.07 0.00 -0.01 0.00 0.00 64.34 64.28 3k7d n VAL 944 Cb 0.25 -0.91 0.06 0.00 -0.91 0.00 0.00 33.84 32.33 3k7d n VAL 944 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89