#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjo s LEU 468 N 0.00 4.36 0.00 -4.62 1.02 -1.26 -5.00 118.68 113.18 1gjo s LEU 468 Ca 0.00 2.80 -0.20 0.00 0.02 0.00 0.00 54.13 56.75 1gjo s LEU 468 Cb 0.00 -3.62 0.30 0.00 0.02 0.00 0.00 46.19 42.89 1gjo s LEU 468 CO 0.00 -0.82 0.95 -0.81 0.02 0.00 0.00 176.35 175.68 1gjo n PRO 469 N 2.52 -3.47 -4.43 1.29 -0.04 -1.26 -4.89 135.00 124.72 1gjo n PRO 469 Ca 0.09 -1.53 -0.31 0.00 -0.04 0.00 0.00 63.50 61.71 1gjo n PRO 469 Cb 0.38 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 1gjo n PRO 469 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1gjo s GLU 470 N -5.18 2.22 -0.31 0.54 1.03 -1.26 -4.83 118.70 110.91 1gjo s GLU 470 Ca 0.64 -0.93 -0.02 0.00 0.03 0.00 0.00 54.97 54.69 1gjo s GLU 470 Cb -0.08 -2.32 0.11 0.00 -0.80 0.00 0.00 34.13 31.04 1gjo s GLU 470 CO 0.51 0.54 0.14 0.34 -1.33 0.00 0.00 175.26 175.46 1gjo s ASP 471 N -1.75 3.62 0.19 0.83 3.68 -1.26 -5.03 116.67 116.95 1gjo s ASP 471 Ca 0.18 -1.61 -0.13 0.00 2.13 0.00 0.00 52.55 53.11 1gjo s ASP 471 Cb -0.11 -0.56 0.21 0.00 -1.45 0.00 0.00 42.92 41.01 1gjo s ASP 471 CO 0.09 -0.40 1.67 -0.65 0.13 0.00 0.00 175.17 176.01 1gjo h PRO 472 N 8.00 0.09 0.00 4.34 0.11 -1.98 -0.83 132.00 141.73 1gjo h PRO 472 Ca -0.13 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1gjo h PRO 472 Cb 1.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1gjo h PRO 472 CO 0.43 0.06 -0.03 1.57 -0.21 0.00 0.00 178.00 179.82 1gjo h LYS 473 N 0.10 0.00 -0.00 1.05 2.10 -2.03 -3.07 116.57 114.71 1gjo h LYS 473 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1gjo h LYS 473 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1gjo h LYS 473 CO -0.46 0.03 -0.39 0.91 -2.00 0.00 0.00 179.45 177.55 1gjo n TRP 474 N -3.21 0.00 -2.06 0.07 7.02 -0.92 -5.02 117.44 113.32 1gjo n TRP 474 Ca -0.01 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.09 1gjo n TRP 474 Cb 0.22 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.12 1gjo n TRP 474 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1gjo s GLU 475 N -1.77 3.68 -0.02 -0.99 2.56 -0.36 -1.66 118.70 120.14 1gjo s GLU 475 Ca 0.06 2.03 0.00 0.00 0.00 0.00 0.00 54.97 57.06 1gjo s GLU 475 Cb 0.08 -2.50 0.03 0.00 2.00 0.00 0.00 34.13 33.74 1gjo s GLU 475 CO 0.37 -0.69 0.02 0.12 -0.56 0.00 0.00 175.26 174.52 1gjo s PHE 476 N -1.38 0.06 0.19 5.30 5.36 -1.08 -4.80 117.98 121.63 1gjo s PHE 476 Ca 0.63 0.11 -0.33 0.00 -0.96 0.00 0.00 56.93 56.38 1gjo s PHE 476 Cb -0.35 -0.24 -0.13 0.00 -0.34 0.00 0.00 43.02 41.96 1gjo s PHE 476 CO 0.43 -0.09 1.64 -0.35 -1.46 0.00 0.00 175.22 175.39 1gjo n PRO 477 N 4.09 2.42 0.26 10.12 -0.04 -1.26 -4.53 135.00 146.06 1gjo n PRO 477 Ca -0.27 0.87 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1gjo n PRO 477 Cb 0.51 -2.67 0.68 0.00 -0.04 0.00 0.00 33.50 31.97 1gjo n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gjo h ARG 478 N 6.22 0.00 0.00 0.54 3.08 -1.96 -2.70 114.38 119.56 1gjo h ARG 478 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 1gjo h ARG 478 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1gjo h ARG 478 CO 0.91 0.10 -0.01 0.38 -1.07 0.00 0.00 179.97 180.29 1gjo h ASP 479 N 0.00 0.00 0.22 7.04 2.03 -2.03 -3.16 116.42 120.53 1gjo h ASP 479 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1gjo h ASP 479 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1gjo h ASP 479 CO 0.01 0.01 -0.04 0.29 -1.03 0.00 0.00 179.24 178.48 1gjo n LYS 480 N -3.10 0.88 -4.54 4.15 4.76 -1.02 -4.80 118.16 114.49 1gjo n LYS 480 Ca 0.03 -0.21 -0.34 0.00 -2.87 0.00 0.00 58.31 54.91 1gjo n LYS 480 Cb 0.46 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.05 1gjo n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1gjo s LEU 481 N -2.26 3.29 -0.31 -0.35 2.96 -1.19 -1.49 118.68 119.32 1gjo s LEU 481 Ca 0.37 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1gjo s LEU 481 Cb 0.21 -1.73 0.10 0.00 0.50 0.00 0.00 46.19 45.27 1gjo s LEU 481 CO 0.42 0.36 0.08 -0.89 -1.32 0.00 0.00 176.35 175.00 1gjo s THR 482 N -0.79 1.19 0.60 3.68 2.01 0.53 -4.95 115.64 117.91 1gjo s THR 482 Ca 0.12 -1.56 -0.20 0.00 0.31 0.00 0.00 61.69 60.36 1gjo s THR 482 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1gjo s THR 482 CO 0.02 -0.62 1.28 0.18 -0.69 0.00 0.00 174.62 174.79 1gjo n LEU 483 N 4.72 5.59 0.00 4.42 4.77 -1.26 -2.12 117.00 133.13 1gjo n LEU 483 Ca -0.01 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1gjo n LEU 483 Cb 0.42 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1gjo n LEU 483 CO 0.14 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 175.88 1gjo n GLY 484 N 0.90 4.88 3.74 -0.72 0.00 0.63 -4.91 105.19 109.70 1gjo n GLY 484 Ca 0.14 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1gjo n GLY 484 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gjo s LYS 485 N 4.07 4.28 -0.26 1.61 2.36 -1.23 -4.65 119.74 125.93 1gjo s LYS 485 Ca 0.00 2.25 -0.29 0.00 -2.55 0.00 0.00 55.97 55.38 1gjo s LYS 485 Cb 0.00 -3.14 -0.00 0.00 -1.05 0.00 0.00 37.83 33.64 1gjo s LYS 485 CO 0.00 -0.41 1.24 -1.25 1.55 0.00 0.00 175.35 176.48 1gjo s PRO 486 N -0.07 4.04 0.27 4.03 0.04 -1.26 0.13 135.00 142.18 1gjo s PRO 486 Ca 0.60 1.34 0.24 0.00 0.04 0.00 0.00 61.00 63.22 1gjo s PRO 486 Cb -0.41 -3.81 1.01 0.00 0.04 0.00 0.00 34.50 31.33 1gjo s PRO 486 CO 0.40 -0.95 1.72 1.28 0.04 0.00 0.00 177.00 179.49 1gjo n LEU 487 N 7.16 0.68 0.00 -3.56 4.77 0.32 -4.88 117.00 121.50 1gjo n LEU 487 Ca 0.14 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1gjo n LEU 487 Cb 0.46 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1gjo n LEU 487 CO 0.60 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1gjo n GLY 488 N -0.10 4.33 3.49 -0.72 0.00 -1.20 -5.01 105.19 105.98 1gjo n GLY 488 Ca 0.02 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1gjo n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gjo s GLU 489 N -4.43 -2.05 0.00 1.61 2.02 -1.26 -3.51 118.70 111.08 1gjo s GLU 489 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1gjo s GLU 489 Cb 0.00 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1gjo s GLU 489 CO 0.00 -4.25 0.00 0.41 0.02 0.00 0.00 175.26 171.44 1gjo n GLY 490 N -0.19 1.15 0.00 -1.39 0.00 -1.00 -4.91 105.19 98.86 1gjo n GLY 490 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1gjo n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjo n PHE 492 N -0.32 3.31 -0.80 0.00 1.16 -1.26 -5.06 117.46 114.49 1gjo n PHE 492 Ca 0.00 -2.96 0.00 0.00 -1.87 0.00 0.00 57.45 52.62 1gjo n PHE 492 Cb 0.00 -0.22 0.00 0.00 -1.61 0.00 0.00 39.48 37.65 1gjo n PHE 492 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1gjo n GLY 493 N -0.51 0.62 3.05 4.97 0.00 -1.26 -4.76 105.19 107.29 1gjo n GLY 493 Ca 0.41 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 1gjo n GLY 493 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gjo s GLN 494 N -2.00 0.48 -0.07 1.61 -2.07 0.76 -2.36 119.66 116.01 1gjo s GLN 494 Ca 0.00 -0.92 0.04 0.00 -1.82 0.00 0.00 55.36 52.65 1gjo s GLN 494 Cb 0.00 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1gjo s GLN 494 CO 0.00 -0.09 -0.18 0.08 -1.32 0.00 0.00 175.29 173.78 1gjo s VAL 495 N -2.77 2.68 0.00 3.63 1.01 -1.23 -0.45 120.40 123.27 1gjo s VAL 495 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1gjo s VAL 495 Cb -0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1gjo s VAL 495 CO -0.06 0.56 -0.10 0.68 0.00 0.00 0.00 175.10 176.19 1gjo s VAL 496 N -0.22 0.79 0.25 2.92 -7.23 -0.10 -0.52 120.40 116.29 1gjo s VAL 496 Ca -0.00 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 1gjo s VAL 496 Cb -0.13 -0.69 -0.10 0.00 0.56 0.00 0.00 36.38 36.02 1gjo s VAL 496 CO 0.03 0.13 1.38 -0.32 -0.31 0.00 0.00 175.10 176.01 1gjo s MET 497 N -0.49 4.32 0.26 4.82 1.75 0.34 -1.04 119.30 129.27 1gjo s MET 497 Ca 0.02 2.21 -0.01 0.00 -1.25 0.00 0.00 55.69 56.67 1gjo s MET 497 Cb -0.05 -3.13 -0.02 0.00 2.84 0.00 0.00 34.83 34.47 1gjo s MET 497 CO -0.00 -0.33 0.28 0.00 -0.65 0.00 0.00 175.02 174.33 1gjo s ALA 498 N -0.19 1.04 -0.06 4.11 0.00 -0.40 -0.27 121.76 126.00 1gjo s ALA 498 Ca 0.57 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1gjo s ALA 498 Cb -0.40 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1gjo s ALA 498 CO 0.44 -0.69 -0.15 -1.21 0.00 0.00 0.00 175.76 174.15 1gjo s GLU 499 N -3.77 1.78 0.05 0.00 2.02 -0.90 -1.13 118.70 116.76 1gjo s GLU 499 Ca 0.35 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.90 1gjo s GLU 499 Cb 0.03 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 1gjo s GLU 499 CO 0.17 0.14 -0.23 0.00 0.02 0.00 0.00 175.26 175.36 1gjo s ALA 500 N 0.34 1.93 -0.46 5.21 0.00 -0.73 -0.34 121.76 127.70 1gjo s ALA 500 Ca -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1gjo s ALA 500 Cb -0.14 -0.38 0.12 0.00 0.00 0.00 0.00 23.12 22.73 1gjo s ALA 500 CO 0.03 0.44 0.28 0.08 0.00 0.00 0.00 175.76 176.59 1gjo s VAL 501 N -0.83 3.54 0.00 0.00 1.01 -0.56 -1.00 120.40 122.56 1gjo s VAL 501 Ca 0.09 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1gjo s VAL 501 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1gjo s VAL 501 CO 0.02 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1gjo n GLY 502 N 4.44 1.92 0.00 4.51 0.00 -1.24 -4.88 105.19 109.94 1gjo n GLY 502 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1gjo n GLY 502 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gjo n ILE 503 N 0.00 0.00 -3.78 -0.61 5.41 -1.26 -4.94 119.36 114.17 1gjo n ILE 503 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 1gjo n ILE 503 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 1gjo n ILE 503 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1gjo s LYS 507 N 2.52 2.11 0.17 0.38 2.47 -1.26 -4.85 119.74 121.28 1gjo s LYS 507 Ca 0.00 -3.07 0.06 0.00 -1.56 0.00 0.00 55.97 51.41 1gjo s LYS 507 Cb 0.00 -2.97 -0.02 0.00 -1.46 0.00 0.00 37.83 33.38 1gjo s LYS 507 CO 0.00 -1.31 1.38 -1.00 0.16 0.00 0.00 175.35 174.58 1gjo h PRO 508 N 5.45 0.05 -5.24 4.03 0.13 -2.05 -3.49 132.00 130.89 1gjo h PRO 508 Ca 0.17 -0.06 -0.26 0.00 -0.87 0.00 0.00 66.00 64.98 1gjo h PRO 508 Cb 0.79 0.02 0.17 0.00 0.13 0.00 0.00 31.00 32.11 1gjo h PRO 508 CO 0.64 0.90 -0.74 0.36 -0.23 0.00 0.00 178.00 178.93 1gjo n LYS 509 N -3.54 -3.82 -4.13 0.86 2.85 -1.26 -5.04 118.16 104.07 1gjo n LYS 509 Ca -0.01 0.77 -0.09 0.00 -1.05 0.00 0.00 58.31 57.93 1gjo n LYS 509 Cb 0.83 -5.46 -0.10 0.00 -0.65 0.00 0.00 35.03 29.65 1gjo n LYS 509 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1gjo s GLU 510 N -4.69 0.72 -0.32 -1.58 1.03 -1.26 -4.79 118.70 107.81 1gjo s GLU 510 Ca 0.22 -1.26 -0.29 0.00 0.03 0.00 0.00 54.97 53.68 1gjo s GLU 510 Cb -0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 34.13 33.27 1gjo s GLU 510 CO 0.66 -0.06 1.62 0.00 -1.33 0.00 0.00 175.26 176.15 1gjo s ALA 511 N -3.67 3.05 -0.03 -0.84 0.00 -1.26 -3.63 121.76 115.38 1gjo s ALA 511 Ca 0.09 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.30 1gjo s ALA 511 Cb 0.06 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1gjo s ALA 511 CO -0.07 -2.35 -0.21 0.54 0.00 0.00 0.00 175.76 173.67 1gjo s VAL 512 N 5.92 2.46 0.18 0.00 0.11 -0.17 -4.91 120.40 123.99 1gjo s VAL 512 Ca 0.71 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1gjo s VAL 512 Cb -0.20 -1.91 -0.08 0.00 -1.53 0.00 0.00 36.38 32.66 1gjo s VAL 512 CO 0.32 0.57 1.31 -0.89 -3.33 0.00 0.00 175.10 173.08 1gjo s THR 513 N -0.67 3.27 0.31 5.04 2.01 -1.26 -1.77 115.64 122.56 1gjo s THR 513 Ca 0.11 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.18 1gjo s THR 513 Cb -0.10 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1gjo s THR 513 CO -0.00 0.14 0.22 0.68 -0.69 0.00 0.00 174.62 174.97 1gjo s VAL 514 N 0.25 0.11 -0.09 3.82 -7.23 -0.29 -4.41 120.40 112.57 1gjo s VAL 514 Ca 0.57 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1gjo s VAL 514 Cb -0.36 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 1gjo s VAL 514 CO 0.37 0.00 -0.24 0.00 -0.31 0.00 0.00 175.10 174.92 1gjo s ALA 515 N -3.58 2.11 -0.24 1.32 0.00 -0.61 -1.27 121.76 119.48 1gjo s ALA 515 Ca 0.38 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 1gjo s ALA 515 Cb 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1gjo s ALA 515 CO 0.22 0.32 -0.06 0.08 0.00 0.00 0.00 175.76 176.32 1gjo s VAL 516 N 0.21 3.02 -0.11 0.00 1.01 -0.21 -1.28 120.40 123.04 1gjo s VAL 516 Ca -0.14 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1gjo s VAL 516 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1gjo s VAL 516 CO 0.07 0.28 0.50 -0.54 0.00 0.00 0.00 175.10 175.41 1gjo s LYS 517 N 1.38 4.34 0.22 2.72 1.02 -0.01 -0.93 119.74 128.48 1gjo s LYS 517 Ca 0.02 0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.41 1gjo s LYS 517 Cb -0.16 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1gjo s LYS 517 CO -0.04 0.16 0.38 0.00 -0.92 0.00 0.00 175.35 174.92 1gjo s MET 518 N 0.61 1.41 0.47 1.68 0.23 0.40 -1.66 119.30 122.44 1gjo s MET 518 Ca 0.27 -1.31 -0.10 0.00 -1.03 0.00 0.00 55.69 53.52 1gjo s MET 518 Cb -0.15 0.41 -0.06 0.00 -1.53 0.00 0.00 34.83 33.50 1gjo s MET 518 CO 0.11 -0.55 0.84 -0.51 -2.03 0.00 0.00 175.02 172.88 1gjo s LEU 519 N -3.04 3.67 0.00 0.18 1.43 -1.26 -0.17 118.68 119.49 1gjo s LEU 519 Ca 0.25 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1gjo s LEU 519 Cb 0.02 -4.13 0.12 0.00 0.03 0.00 0.00 46.19 42.22 1gjo s LEU 519 CO 0.08 -0.53 0.87 0.29 0.23 0.00 0.00 176.35 177.29 1gjo n LYS 520 N -1.76 0.26 0.19 1.70 5.02 -1.26 -4.73 118.16 117.58 1gjo n LYS 520 Ca 0.03 -2.83 0.05 0.00 -2.02 0.00 0.00 58.31 53.54 1gjo n LYS 520 Cb 0.54 -0.44 0.39 0.00 -0.02 0.00 0.00 35.03 35.50 1gjo n LYS 520 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1gjo h ASP 521 N -0.24 0.00 -0.43 4.39 -0.00 -2.03 -3.01 116.42 115.10 1gjo h ASP 521 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1gjo h ASP 521 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1gjo h ASP 521 CO 0.36 0.36 0.00 -0.90 -0.00 0.00 0.00 179.24 179.06 1gjo n ASP 522 N -3.84 4.47 -4.59 2.28 3.85 -1.26 -5.00 116.55 112.46 1gjo n ASP 522 Ca -0.01 -2.67 -0.38 0.00 -0.71 0.00 0.00 54.79 51.01 1gjo n ASP 522 Cb 0.43 -0.63 0.05 0.00 -1.35 0.00 0.00 41.12 39.61 1gjo n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1gjo n ALA 523 N 0.47 0.00 -2.42 2.12 0.00 -1.14 -5.03 120.51 114.51 1gjo n ALA 523 Ca 0.20 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 1gjo n ALA 523 Cb 0.94 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1gjo n ALA 523 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gjo s THR 524 N -1.52 2.04 0.41 0.00 -4.23 -1.26 -4.99 115.64 106.09 1gjo s THR 524 Ca 0.74 -1.61 0.15 0.00 -1.18 0.00 0.00 61.69 59.79 1gjo s THR 524 Cb -0.43 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 70.91 1gjo s THR 524 CO 0.49 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 176.17 1gjo h GLU 525 N 1.15 0.00 -0.34 3.99 5.08 -1.99 -1.52 114.58 120.96 1gjo h GLU 525 Ca -0.41 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1gjo h GLU 525 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1gjo h GLU 525 CO 0.65 0.26 -0.23 0.87 -1.00 0.00 0.00 179.01 179.56 1gjo h LYS 526 N 0.00 0.75 -0.54 2.33 1.57 -1.98 -0.14 116.57 118.55 1gjo h LYS 526 Ca -0.00 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1gjo h LYS 526 Cb 0.47 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1gjo h LYS 526 CO 0.03 0.97 0.27 -0.44 -0.57 0.00 0.00 179.45 179.72 1gjo h ASP 527 N 0.52 0.38 -0.03 0.86 3.32 -1.74 0.21 116.42 119.94 1gjo h ASP 527 Ca 0.07 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1gjo h ASP 527 Cb 0.78 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1gjo h ASP 527 CO 0.06 0.26 0.01 0.25 -1.72 0.00 0.00 179.24 178.10 1gjo h LEU 528 N 0.52 0.04 -1.37 1.55 5.85 -1.11 -1.69 115.31 119.10 1gjo h LEU 528 Ca 0.24 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1gjo h LEU 528 Cb 0.17 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1gjo h LEU 528 CO -0.18 0.20 -0.25 0.77 -0.34 0.00 0.00 178.44 178.65 1gjo h SER 529 N -0.12 0.10 -0.05 1.25 4.64 -0.63 -1.75 113.55 116.98 1gjo h SER 529 Ca 0.01 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1gjo h SER 529 Cb 0.17 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gjo h SER 529 CO -0.00 0.35 -0.05 0.44 -0.87 0.00 0.00 176.83 176.71 1gjo h ASP 530 N 0.10 0.13 -0.91 4.97 3.32 -0.41 -0.79 116.42 122.83 1gjo h ASP 530 Ca 0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1gjo h ASP 530 Cb 0.49 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1gjo h ASP 530 CO 0.03 0.57 0.56 0.25 -1.72 0.00 0.00 179.24 178.94 1gjo h LEU 531 N -0.31 1.07 -0.42 1.55 5.85 -1.17 0.29 115.31 122.18 1gjo h LEU 531 Ca 0.01 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1gjo h LEU 531 Cb 0.53 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1gjo h LEU 531 CO 0.01 0.81 -0.19 0.58 -0.34 0.00 0.00 178.44 179.31 1gjo h VAL 532 N 1.24 1.28 -0.77 1.05 2.07 -1.34 -2.62 116.25 117.16 1gjo h VAL 532 Ca 0.33 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1gjo h VAL 532 Cb -0.08 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1gjo h VAL 532 CO -0.06 0.45 0.49 -1.28 0.02 0.00 0.00 177.57 177.19 1gjo h SER 533 N 0.69 0.91 -0.35 0.57 0.87 -0.57 -1.70 113.55 113.96 1gjo h SER 533 Ca 0.10 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1gjo h SER 533 Cb 0.75 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1gjo h SER 533 CO 0.06 0.68 0.22 -0.08 -0.53 0.00 0.00 176.83 177.17 1gjo h GLU 534 N 1.05 0.48 -0.75 2.24 4.81 -0.83 0.07 114.58 121.65 1gjo h GLU 534 Ca 0.28 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1gjo h GLU 534 Cb -0.09 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1gjo h GLU 534 CO -0.06 0.35 0.48 1.98 -0.73 0.00 0.00 179.01 181.03 1gjo h MET 535 N 0.46 0.91 -0.23 1.92 4.05 -1.08 -1.12 114.93 119.84 1gjo h MET 535 Ca 0.13 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 1gjo h MET 535 Cb -0.00 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 1gjo h MET 535 CO -0.02 0.60 -0.38 0.93 0.23 0.00 0.00 176.91 178.27 1gjo h GLU 536 N 0.93 0.52 -0.29 0.39 5.08 -0.97 -3.11 114.58 117.14 1gjo h GLU 536 Ca 0.30 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1gjo h GLU 536 Cb -0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1gjo h GLU 536 CO -0.10 0.82 -0.17 0.52 -1.00 0.00 0.00 179.01 179.08 1gjo h MET 537 N 0.44 0.62 0.00 2.33 2.86 -0.47 -2.95 114.93 117.76 1gjo h MET 537 Ca 0.04 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1gjo h MET 537 Cb 0.86 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1gjo h MET 537 CO 0.07 0.87 0.00 0.52 1.06 0.00 0.00 176.91 179.43 1gjo h MET 538 N 0.36 0.00 0.11 1.72 2.86 -1.20 -1.17 114.93 117.61 1gjo h MET 538 Ca 0.06 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.41 1gjo h MET 538 Cb 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1gjo h MET 538 CO 0.05 0.00 -1.38 0.87 1.06 0.00 0.00 176.91 177.51 1gjo h LYS 539 N 0.00 0.24 0.00 1.72 1.57 -1.46 -3.03 116.57 115.62 1gjo h LYS 539 Ca 0.00 -0.42 -0.23 0.00 -1.87 0.00 0.00 60.65 58.14 1gjo h LYS 539 Cb 0.07 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1gjo h LYS 539 CO 0.00 1.14 -1.20 0.00 -0.57 0.00 0.00 179.45 178.83 1gjo h MET 540 N 0.07 0.00 -0.04 3.15 -0.00 -1.31 -3.34 114.93 113.46 1gjo h MET 540 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1gjo h MET 540 Cb 1.99 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.58 1gjo h MET 540 CO 0.18 0.78 0.01 0.82 -0.00 0.00 0.00 176.91 178.69 1gjo h ILE 541 N 0.00 1.21 0.00 -0.10 2.04 -1.35 -3.49 117.51 115.83 1gjo h ILE 541 Ca -0.10 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1gjo h ILE 541 Cb 1.81 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1gjo h ILE 541 CO 0.11 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1gjo n GLY 542 N -0.39 -1.84 3.77 5.37 0.00 -1.14 -4.95 105.19 106.01 1gjo n GLY 542 Ca -0.07 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 1gjo n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gjo s LYS 543 N 0.00 4.03 -0.09 1.61 2.20 -1.26 -4.87 119.74 121.36 1gjo s LYS 543 Ca 0.00 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 1gjo s LYS 543 Cb 0.00 -3.35 0.07 0.00 -1.51 0.00 0.00 37.83 33.04 1gjo s LYS 543 CO 0.00 0.42 0.70 -1.58 -0.36 0.00 0.00 175.35 174.53 1gjo s HIS 544 N -0.04 -0.66 -0.64 4.03 2.46 -1.26 -5.06 115.29 114.12 1gjo s HIS 544 Ca 0.14 1.22 0.24 0.00 0.47 0.00 0.00 55.06 57.13 1gjo s HIS 544 Cb -0.13 0.39 0.91 0.00 -0.13 0.00 0.00 32.58 33.63 1gjo s HIS 544 CO 0.03 -0.56 1.72 1.63 -2.47 0.00 0.00 174.74 175.09 1gjo n LYS 545 N 1.16 0.18 -0.58 2.88 4.01 -1.26 -3.56 118.16 121.00 1gjo n LYS 545 Ca -0.18 0.32 0.05 0.00 -0.51 0.00 0.00 58.31 57.99 1gjo n LYS 545 Cb 0.57 -1.79 0.26 0.00 -0.51 0.00 0.00 35.03 33.55 1gjo n LYS 545 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1gjo n ASN 546 N -2.12 3.76 -3.91 4.39 4.13 -1.26 -4.81 115.26 115.44 1gjo n ASN 546 Ca 0.04 -3.18 -0.11 0.00 1.68 0.00 0.00 54.58 53.01 1gjo n ASN 546 Cb 0.29 -0.59 -0.12 0.00 -1.54 0.00 0.00 39.78 37.83 1gjo n ASN 546 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1gjo s ILE 547 N -2.93 0.06 0.03 2.41 -4.36 -1.23 -0.86 121.20 114.32 1gjo s ILE 547 Ca 0.44 -0.54 -0.30 0.00 -0.26 0.00 0.00 60.65 59.99 1gjo s ILE 547 Cb 0.37 -0.25 -0.07 0.00 1.25 0.00 0.00 42.46 43.76 1gjo s ILE 547 CO 0.08 -0.29 1.65 -0.63 0.24 0.00 0.00 174.94 175.98 1gjo s ILE 548 N -0.92 3.23 0.11 8.37 1.01 -0.74 -4.77 121.20 127.49 1gjo s ILE 548 Ca -0.10 0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 1gjo s ILE 548 Cb -0.06 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 1gjo s ILE 548 CO 0.00 -0.02 0.52 0.20 0.00 0.00 0.00 174.94 175.65 1gjo s ASN 549 N 2.70 6.86 -0.23 3.58 -0.87 -1.26 -4.91 114.94 120.80 1gjo s ASN 549 Ca 0.74 1.08 -0.29 0.00 -1.57 0.00 0.00 52.86 52.81 1gjo s ASN 549 Cb -0.38 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1gjo s ASN 549 CO 0.32 0.17 1.13 -0.22 -2.57 0.00 0.00 177.10 175.93 1gjo s LEU 550 N -1.67 4.09 -0.18 0.60 2.96 -1.26 -1.90 118.68 121.32 1gjo s LEU 550 Ca 0.34 1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 55.56 1gjo s LEU 550 Cb -0.16 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 1gjo s LEU 550 CO 0.18 -0.75 0.16 0.18 -1.32 0.00 0.00 176.35 174.80 1gjo n LEU 551 N 6.56 2.40 0.00 -0.68 4.77 0.11 -4.98 117.00 125.18 1gjo n LEU 551 Ca 0.13 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 1gjo n LEU 551 Cb 0.46 -1.02 0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1gjo n LEU 551 CO 0.55 0.67 0.77 0.61 -1.33 0.00 0.00 177.39 178.66 1gjo n GLY 552 N 1.80 0.61 3.58 -0.72 0.00 -0.84 -5.03 105.19 104.58 1gjo n GLY 552 Ca -0.36 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1gjo n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjo s ALA 553 N -1.94 -1.68 -0.48 4.61 0.00 -0.66 -0.35 121.76 121.25 1gjo s ALA 553 Ca 0.22 2.02 -0.12 0.00 0.00 0.00 0.00 51.96 54.08 1gjo s ALA 553 Cb -0.02 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 22.03 1gjo s ALA 553 CO 0.04 -0.33 0.38 0.00 0.00 0.00 0.00 175.76 175.85 1gjo n THR 555 N 5.03 0.80 -2.44 0.00 -2.24 -1.26 -1.18 114.28 112.99 1gjo n THR 555 Ca -0.10 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1gjo n THR 555 Cb 0.41 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 1gjo n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1gjo s GLN 556 N -2.28 4.48 -0.58 -0.78 -0.21 -1.26 -4.45 119.66 114.58 1gjo s GLN 556 Ca -0.16 1.77 -0.23 0.00 0.02 0.00 0.00 55.36 56.76 1gjo s GLN 556 Cb 0.05 -3.32 0.03 0.00 1.00 0.00 0.00 33.01 30.77 1gjo s GLN 556 CO 0.35 -0.16 0.64 -0.25 -2.12 0.00 0.00 175.29 173.76 1gjo n ASP 557 N 3.37 -5.68 0.00 5.90 8.00 -1.26 -4.92 116.55 121.96 1gjo n ASP 557 Ca 0.07 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1gjo n ASP 557 Cb 0.46 -2.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 1gjo n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gjo n GLY 558 N -0.74 0.45 3.74 0.44 0.00 -1.26 -5.11 105.19 102.71 1gjo n GLY 558 Ca -0.13 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1gjo n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gjo s PRO 559 N -1.55 4.39 0.24 1.61 0.04 -1.26 -4.91 135.00 133.56 1gjo s PRO 559 Ca 0.00 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 1gjo s PRO 559 Cb 0.00 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.24 1gjo s PRO 559 CO 0.00 -0.23 1.66 -0.11 0.04 0.00 0.00 177.00 178.35 1gjo n LEU 560 N 2.42 4.10 -3.88 -3.56 7.94 -1.26 -4.76 117.00 118.01 1gjo n LEU 560 Ca 0.05 1.10 -0.27 0.00 -1.11 0.00 0.00 56.01 55.79 1gjo n LEU 560 Cb 0.43 -1.57 -0.17 0.00 0.53 0.00 0.00 43.42 42.63 1gjo n LEU 560 CO 0.58 0.14 -0.43 -0.31 -1.11 0.00 0.00 177.39 176.26 1gjo s TYR 561 N 0.61 1.45 -0.36 1.96 2.02 -0.33 -4.53 117.35 118.17 1gjo s TYR 561 Ca 0.70 -0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 56.51 1gjo s TYR 561 Cb -0.51 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1gjo s TYR 561 CO 0.40 -0.53 0.20 0.08 -1.57 0.00 0.00 175.55 174.14 1gjo s VAL 562 N 1.72 4.62 -0.39 0.71 1.01 -0.66 -0.89 120.40 126.51 1gjo s VAL 562 Ca 0.04 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1gjo s VAL 562 Cb -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1gjo s VAL 562 CO -0.08 -0.18 0.54 -0.63 0.00 0.00 0.00 175.10 174.75 1gjo s ILE 563 N 1.57 4.97 0.40 2.22 1.01 0.53 -0.83 121.20 131.07 1gjo s ILE 563 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1gjo s ILE 563 Cb -0.19 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1gjo s ILE 563 CO 0.07 -0.36 0.04 0.68 0.00 0.00 0.00 174.94 175.37 1gjo s VAL 564 N 2.47 1.38 0.42 2.92 -7.23 -0.40 0.07 120.40 120.03 1gjo s VAL 564 Ca 0.19 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 1gjo s VAL 564 Cb -0.15 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1gjo s VAL 564 CO 0.15 0.00 1.07 -1.83 -0.31 0.00 0.00 175.10 174.18 1gjo s GLU 565 N -3.80 4.07 0.21 4.82 -1.05 -0.80 -1.58 118.70 120.56 1gjo s GLU 565 Ca 0.29 1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 56.35 1gjo s GLU 565 Cb 0.07 -2.48 -0.08 0.00 -0.44 0.00 0.00 34.13 31.20 1gjo s GLU 565 CO 0.14 -0.24 1.00 -0.47 0.95 0.00 0.00 175.26 176.65 1gjo s TYR 566 N -1.67 3.80 -0.43 4.83 5.04 -1.26 -4.50 117.35 123.16 1gjo s TYR 566 Ca 0.60 1.79 0.03 0.00 -2.44 0.00 0.00 57.07 57.05 1gjo s TYR 566 Cb -0.23 -3.11 0.12 0.00 0.35 0.00 0.00 41.96 39.09 1gjo s TYR 566 CO 0.28 0.02 0.17 0.00 -1.34 0.00 0.00 175.55 174.68 1gjo s ALA 567 N -0.74 2.78 0.50 3.97 0.00 -1.26 -4.86 121.76 122.15 1gjo s ALA 567 Ca 0.45 -2.75 0.20 0.00 0.00 0.00 0.00 51.96 49.86 1gjo s ALA 567 Cb -0.27 -1.99 1.26 0.00 0.00 0.00 0.00 23.12 22.11 1gjo s ALA 567 CO 0.34 -1.89 2.01 0.66 0.00 0.00 0.00 175.76 176.88 1gjo h SER 568 N 7.06 0.12 1.53 0.00 4.64 -1.86 -2.96 113.55 122.08 1gjo h SER 568 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1gjo h SER 568 Cb 0.95 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1gjo h SER 568 CO 0.58 0.07 -0.19 0.11 -0.87 0.00 0.00 176.83 176.53 1gjo h LYS 569 N 0.14 0.00 0.00 4.77 1.79 -1.49 -3.49 116.57 118.28 1gjo h LYS 569 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1gjo h LYS 569 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1gjo h LYS 569 CO -0.03 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 1gjo n GLY 570 N 1.23 -1.83 3.85 3.86 0.00 -1.12 -4.76 105.19 106.42 1gjo n GLY 570 Ca 0.04 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1gjo n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjo s ASN 571 N -4.00 6.74 0.32 1.61 2.20 -1.26 -1.09 114.94 119.45 1gjo s ASN 571 Ca 0.00 1.27 0.08 0.00 -0.94 0.00 0.00 52.86 53.27 1gjo s ASN 571 Cb 0.00 -2.37 0.80 0.00 -2.00 0.00 0.00 41.25 37.68 1gjo s ASN 571 CO 0.00 -0.25 1.78 0.25 -2.94 0.00 0.00 177.10 175.94 1gjo h LEU 572 N 2.07 0.73 0.74 3.54 5.85 0.57 -1.14 115.31 127.67 1gjo h LEU 572 Ca -0.48 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1gjo h LEU 572 Cb 1.18 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1gjo h LEU 572 CO 0.65 0.24 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.54 1gjo h ARG 573 N 0.70 -0.96 -0.36 1.25 2.43 -1.80 -0.15 114.38 115.49 1gjo h ARG 573 Ca 0.58 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.80 1gjo h ARG 573 Cb 0.99 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1gjo h ARG 573 CO -0.37 -0.64 0.18 0.93 -1.51 0.00 0.00 179.97 178.56 1gjo h GLU 574 N -1.00 0.50 0.65 0.20 5.08 -1.89 -0.82 114.58 117.30 1gjo h GLU 574 Ca -0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1gjo h GLU 574 Cb 0.77 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1gjo h GLU 574 CO 0.17 0.38 -0.40 -0.92 -1.00 0.00 0.00 179.01 177.24 1gjo h TYR 575 N 0.50 -1.07 -0.20 4.33 3.20 -1.10 -2.07 116.97 120.56 1gjo h TYR 575 Ca 0.13 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1gjo h TYR 575 Cb 0.05 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1gjo h TYR 575 CO 0.00 -0.61 0.06 -0.07 -1.64 0.00 0.00 178.16 175.91 1gjo h LEU 576 N -0.99 0.07 -2.81 2.82 3.38 -0.64 -2.05 115.31 115.08 1gjo h LEU 576 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1gjo h LEU 576 Cb 0.81 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1gjo h LEU 576 CO 0.08 0.07 0.04 0.03 0.09 0.00 0.00 178.44 178.74 1gjo h ARG 577 N 0.15 0.00 0.44 1.13 3.08 -1.09 -2.87 114.38 115.23 1gjo h ARG 577 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1gjo h ARG 577 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1gjo h ARG 577 CO -0.09 0.00 -0.21 0.00 -1.07 0.00 0.00 179.97 178.60 1gjo h ALA 578 N 1.92 -0.59 -1.22 0.04 0.00 -0.63 -3.37 119.26 115.42 1gjo h ALA 578 Ca 0.00 -0.18 -0.77 0.00 0.00 0.00 0.00 54.91 53.96 1gjo h ALA 578 Cb 0.09 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 17.91 1gjo h ALA 578 CO -0.00 -0.62 1.64 2.89 0.00 0.00 0.00 179.25 183.16 1gjo n ARG 579 N -5.19 3.90 -0.52 0.00 0.00 -1.08 -5.10 116.66 108.66 1gjo n ARG 579 Ca -0.09 -3.85 0.06 0.00 -0.00 0.00 0.00 57.85 53.96 1gjo n ARG 579 Cb 0.29 -2.79 0.20 0.00 -0.00 0.00 0.00 32.46 30.15 1gjo n ARG 579 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1gjo n ARG 580 N 3.05 1.58 -0.85 2.89 1.85 -1.26 -4.08 116.66 119.85 1gjo n ARG 580 Ca 0.35 -3.16 -0.33 0.00 -1.00 0.00 0.00 57.85 53.71 1gjo n ARG 580 Cb 0.35 -1.62 0.03 0.00 -1.05 0.00 0.00 32.46 30.17 1gjo n ARG 580 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1gjo n GLU 596 N -1.17 0.00 -0.60 2.89 0.28 -1.26 -5.11 120.64 115.67 1gjo n GLU 596 Ca 0.20 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.91 1gjo n GLU 596 Cb 0.72 -0.85 0.26 0.00 1.43 0.00 0.00 31.44 33.00 1gjo n GLU 596 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1gjo n GLN 597 N 2.13 -3.91 -4.35 3.44 6.02 -1.26 -5.08 117.38 114.37 1gjo n GLN 597 Ca -0.02 -1.53 -0.19 0.00 -0.01 0.00 0.00 57.00 55.26 1gjo n GLN 597 Cb 0.65 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 1gjo n GLN 597 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1gjo s MET 598 N -5.17 1.33 0.31 -1.09 0.00 -1.26 -5.07 119.30 108.36 1gjo s MET 598 Ca 0.66 -1.57 0.11 0.00 0.00 0.00 0.00 55.69 54.89 1gjo s MET 598 Cb -0.09 -1.18 -0.06 0.00 0.00 0.00 0.00 34.83 33.51 1gjo s MET 598 CO 0.53 0.20 -0.12 0.95 0.00 0.00 0.00 175.02 176.58 1gjo s THR 599 N -2.80 2.46 0.26 10.11 -4.23 -1.26 -5.04 115.64 115.14 1gjo s THR 599 Ca 0.22 -2.25 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1gjo s THR 599 Cb -0.02 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1gjo s THR 599 CO 0.07 -0.30 1.84 0.15 -0.54 0.00 0.00 174.62 175.84 1gjo h PHE 600 N 2.10 1.04 -0.95 3.99 3.57 -2.00 -2.05 116.94 122.64 1gjo h PHE 600 Ca -0.41 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.15 1gjo h PHE 600 Cb 1.25 -0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1gjo h PHE 600 CO 0.77 0.79 0.60 -0.22 -2.23 0.00 0.00 178.31 178.03 1gjo h LYS 601 N 1.02 0.83 -0.16 1.11 1.63 -1.96 -1.38 116.57 117.65 1gjo h LYS 601 Ca 0.24 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1gjo h LYS 601 Cb 0.18 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1gjo h LYS 601 CO -0.02 0.55 0.03 -0.44 -3.45 0.00 0.00 179.45 176.12 1gjo h ASP 602 N 0.85 0.26 -0.83 4.20 3.32 -1.79 -2.12 116.42 120.31 1gjo h ASP 602 Ca 0.47 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1gjo h ASP 602 Cb 0.59 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 1gjo h ASP 602 CO -0.24 0.44 0.49 -0.07 -1.72 0.00 0.00 179.24 178.14 1gjo h LEU 603 N 0.06 0.72 -0.66 1.55 3.38 -1.07 0.51 115.31 119.80 1gjo h LEU 603 Ca 0.05 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1gjo h LEU 603 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1gjo h LEU 603 CO 0.00 0.43 -0.45 0.58 0.09 0.00 0.00 178.44 179.10 1gjo h VAL 604 N 0.84 1.31 -0.36 1.22 2.07 -1.34 -0.56 116.25 119.43 1gjo h VAL 604 Ca 0.38 -1.64 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 1gjo h VAL 604 Cb 0.29 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1gjo h VAL 604 CO -0.22 0.51 -0.44 -1.28 0.02 0.00 0.00 177.57 176.16 1gjo h SER 605 N 0.42 1.00 -0.44 0.57 0.87 -0.54 -1.33 113.55 114.10 1gjo h SER 605 Ca 0.03 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1gjo h SER 605 Cb 0.95 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1gjo h SER 605 CO 0.08 1.29 0.23 0.00 -0.53 0.00 0.00 176.83 177.90 1gjo h THR 607 N 0.58 1.27 -0.59 0.00 2.02 -1.04 -2.92 112.91 112.22 1gjo h THR 607 Ca 0.15 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 1gjo h THR 607 Cb 0.08 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1gjo h THR 607 CO -0.02 0.43 0.13 0.22 0.37 0.00 0.00 175.52 176.65 1gjo h TYR 608 N 0.64 1.00 -0.11 3.16 3.20 -0.95 -1.44 116.97 122.47 1gjo h TYR 608 Ca 0.10 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1gjo h TYR 608 Cb 0.68 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1gjo h TYR 608 CO 0.03 0.85 0.07 1.96 -1.64 0.00 0.00 178.16 179.44 1gjo h GLN 609 N 0.86 0.15 -0.99 1.82 4.20 -1.25 -1.33 115.11 118.57 1gjo h GLN 609 Ca 0.18 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1gjo h GLN 609 Cb 0.36 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1gjo h GLN 609 CO 0.00 0.13 0.66 -0.07 -0.67 0.00 0.00 178.83 178.88 1gjo h LEU 610 N 0.12 1.13 -1.28 1.46 3.38 -1.40 0.20 115.31 118.93 1gjo h LEU 610 Ca 0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1gjo h LEU 610 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1gjo h LEU 610 CO -0.01 0.82 -0.20 0.00 0.09 0.00 0.00 178.44 179.14 1gjo h ALA 611 N 1.38 1.40 -0.18 1.53 0.00 -0.99 -1.14 119.26 121.27 1gjo h ALA 611 Ca 0.36 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1gjo h ALA 611 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gjo h ALA 611 CO -0.08 0.42 -0.49 0.00 0.00 0.00 0.00 179.25 179.10 1gjo h ARG 612 N 0.23 0.65 -0.32 0.00 3.08 0.01 -2.05 114.38 115.97 1gjo h ARG 612 Ca 0.04 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1gjo h ARG 612 Cb 0.49 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1gjo h ARG 612 CO 0.03 1.08 0.21 0.78 -1.07 0.00 0.00 179.97 181.00 1gjo h GLY 613 N 0.33 0.46 2.00 0.04 0.00 -0.56 -2.29 103.07 103.05 1gjo h GLY 613 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1gjo h GLY 613 CO 0.11 0.17 -0.21 -0.33 0.00 0.00 0.00 176.54 176.28 1gjo h MET 614 N 0.43 0.00 -0.32 4.80 2.86 -1.23 -1.08 114.93 120.40 1gjo h MET 614 Ca 0.12 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1gjo h MET 614 Cb -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1gjo h MET 614 CO -0.02 0.21 -0.42 1.49 1.06 0.00 0.00 176.91 179.22 1gjo h GLU 615 N 0.00 0.84 -0.06 1.72 4.81 -0.94 -2.00 114.58 118.95 1gjo h GLU 615 Ca -0.00 -0.49 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1gjo h GLU 615 Cb 0.39 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1gjo h GLU 615 CO 0.03 1.12 0.02 -0.92 -0.73 0.00 0.00 179.01 178.53 1gjo h TYR 616 N 0.63 0.10 -0.58 0.92 5.03 -0.86 -1.96 116.97 120.25 1gjo h TYR 616 Ca 0.04 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.45 1gjo h TYR 616 Cb 1.02 -0.03 -0.09 0.00 1.55 0.00 0.00 36.73 39.18 1gjo h TYR 616 CO 0.07 0.24 0.03 -0.07 -1.32 0.00 0.00 178.16 177.11 1gjo h LEU 617 N -0.07 -0.19 -1.28 2.82 4.07 -1.19 -0.45 115.31 119.02 1gjo h LEU 617 Ca 0.02 0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1gjo h LEU 617 Cb 0.18 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1gjo h LEU 617 CO -0.00 -0.08 -0.04 0.00 -1.08 0.00 0.00 178.44 177.25 1gjo h ALA 618 N 1.51 1.41 0.00 1.53 0.00 -1.18 -1.78 119.26 120.75 1gjo h ALA 618 Ca 0.30 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1gjo h ALA 618 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gjo h ALA 618 CO -0.47 0.41 -0.47 0.66 0.00 0.00 0.00 179.25 179.38 1gjo h SER 619 N 0.43 0.00 -0.03 0.00 4.64 -0.33 -1.69 113.55 116.57 1gjo h SER 619 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1gjo h SER 619 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1gjo h SER 619 CO 0.01 0.47 0.00 1.67 -0.87 0.00 0.00 176.83 178.12 1gjo n GLN 620 N -3.85 1.14 -3.34 4.77 -0.06 -0.59 -4.90 117.38 110.54 1gjo n GLN 620 Ca -0.01 -0.21 -0.22 0.00 -2.00 0.00 0.00 57.00 54.56 1gjo n GLN 620 Cb 0.51 -1.32 0.06 0.00 -4.06 0.00 0.00 30.24 25.43 1gjo n GLN 620 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1gjo n LYS 621 N -0.59 -6.53 -4.88 3.69 4.76 -0.63 -4.84 118.16 109.13 1gjo n LYS 621 Ca 0.15 0.80 -0.33 0.00 -2.87 0.00 0.00 58.31 56.06 1gjo n LYS 621 Cb 0.12 -5.63 -0.14 0.00 -1.84 0.00 0.00 35.03 27.53 1gjo n LYS 621 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gjo s ILE 623 N 0.04 4.11 0.05 0.00 -4.36 -0.95 -4.14 121.20 115.96 1gjo s ILE 623 Ca -0.06 -0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 59.90 1gjo s ILE 623 Cb -0.15 -2.88 -0.15 0.00 1.25 0.00 0.00 42.46 40.53 1gjo s ILE 623 CO 0.05 0.40 1.31 -0.74 0.24 0.00 0.00 174.94 176.19 1gjo h HIS 624 N 7.72 0.59 0.00 1.37 -0.00 -1.91 -0.36 115.15 122.56 1gjo h HIS 624 Ca -0.37 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.79 1gjo h HIS 624 Cb 1.18 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1gjo h HIS 624 CO 0.62 0.91 0.00 0.54 -0.00 0.00 0.00 177.93 180.00 1gjo n ARG 625 N -4.40 0.00 -2.16 5.26 1.74 -1.26 -2.88 116.66 112.96 1gjo n ARG 625 Ca -0.06 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 1gjo n ARG 625 Cb 0.46 -3.53 0.04 0.00 -1.02 0.00 0.00 32.46 28.41 1gjo n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1gjo n ASP 626 N 0.00 0.23 -4.68 0.55 4.64 -1.26 -4.81 116.55 111.21 1gjo n ASP 626 Ca 0.00 -2.06 -0.42 0.00 -1.38 0.00 0.00 54.79 50.93 1gjo n ASP 626 Cb 0.00 -0.01 -0.03 0.00 -1.04 0.00 0.00 41.12 40.04 1gjo n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1gjo s LEU 627 N -2.32 4.32 0.23 -2.67 2.96 -1.26 -4.83 118.68 115.11 1gjo s LEU 627 Ca 0.19 2.17 -0.22 0.00 -0.22 0.00 0.00 54.13 56.05 1gjo s LEU 627 Cb 0.31 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.48 1gjo s LEU 627 CO -0.09 -0.78 0.79 0.00 -1.32 0.00 0.00 176.35 174.96 1gjo s ALA 628 N 2.71 -1.38 0.22 5.97 0.00 -1.26 -4.80 121.76 123.22 1gjo s ALA 628 Ca 0.66 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 1gjo s ALA 628 Cb -0.32 0.78 0.18 0.00 0.00 0.00 0.00 23.12 23.76 1gjo s ALA 628 CO 0.27 -1.02 1.71 0.00 0.00 0.00 0.00 175.76 176.72 1gjo h ALA 629 N 2.00 0.97 0.00 0.00 0.00 -1.93 -2.29 119.26 118.00 1gjo h ALA 629 Ca -0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1gjo h ALA 629 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1gjo h ALA 629 CO 0.25 0.64 -0.11 0.07 0.00 0.00 0.00 179.25 180.10 1gjo h ARG 630 N 0.92 0.00 -0.65 0.00 0.11 -1.94 -2.36 114.38 110.47 1gjo h ARG 630 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1gjo h ARG 630 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1gjo h ARG 630 CO 0.02 0.11 0.00 0.09 0.10 0.00 0.00 179.97 180.29 1gjo n ASN 631 N -3.61 4.58 -4.07 0.08 5.03 -0.87 -4.74 115.26 111.65 1gjo n ASN 631 Ca -0.02 -2.62 -0.29 0.00 0.87 0.00 0.00 54.58 52.52 1gjo n ASN 631 Cb 0.23 -0.61 -0.17 0.00 -1.02 0.00 0.00 39.78 38.22 1gjo n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1gjo s VAL 632 N -2.21 1.57 0.15 2.41 1.01 -0.90 -0.60 120.40 121.83 1gjo s VAL 632 Ca 0.44 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1gjo s VAL 632 Cb 0.32 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1gjo s VAL 632 CO 0.16 0.45 0.05 -0.76 0.00 0.00 0.00 175.10 175.00 1gjo s LEU 633 N 0.95 3.52 -0.11 3.92 1.43 0.43 0.87 118.68 129.69 1gjo s LEU 633 Ca -0.07 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1gjo s LEU 633 Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1gjo s LEU 633 CO -0.01 0.10 -0.19 0.54 0.23 0.00 0.00 176.35 177.01 1gjo s VAL 634 N -1.65 1.79 0.00 -1.59 0.11 -0.25 -0.50 120.40 118.31 1gjo s VAL 634 Ca 0.28 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1gjo s VAL 634 Cb -0.10 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1gjo s VAL 634 CO 0.20 0.50 0.00 0.35 -3.33 0.00 0.00 175.10 172.82 1gjo n THR 635 N 3.93 0.00 -2.44 5.04 -2.24 -1.01 -1.59 114.28 115.97 1gjo n THR 635 Ca -0.20 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1gjo n THR 635 Cb 0.52 -1.79 -0.03 0.00 -2.10 0.00 0.00 70.33 66.93 1gjo n THR 635 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1gjo s GLU 636 N -1.69 3.73 0.00 -0.78 2.56 -1.26 -2.69 118.70 118.57 1gjo s GLU 636 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 54.97 56.26 1gjo s GLU 636 Cb 0.00 -2.09 0.00 0.00 2.00 0.00 0.00 34.13 34.04 1gjo s GLU 636 CO 0.00 -0.48 0.00 0.27 -0.56 0.00 0.00 175.26 174.49 1gjo n ASN 637 N -1.21 0.00 -2.82 -1.70 6.94 -1.26 -4.16 115.26 111.04 1gjo n ASN 637 Ca 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.54 1gjo n ASN 637 Cb 0.53 -0.84 0.05 0.00 -2.36 0.00 0.00 39.78 37.16 1gjo n ASN 637 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1gjo n ASN 638 N 0.00 -5.61 -4.70 0.53 3.02 -1.09 -5.04 115.26 102.37 1gjo n ASN 638 Ca 0.00 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.69 1gjo n ASN 638 Cb 0.00 -4.11 -0.09 0.00 -0.61 0.00 0.00 39.78 34.98 1gjo n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gjo s VAL 639 N -3.28 5.33 -0.07 2.41 1.01 -1.26 -4.89 120.40 119.65 1gjo s VAL 639 Ca 0.33 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1gjo s VAL 639 Cb -0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1gjo s VAL 639 CO 0.56 0.41 0.93 -0.04 0.00 0.00 0.00 175.10 176.97 1gjo s MET 640 N 0.57 4.45 -0.09 2.72 1.00 -1.26 -2.40 119.30 124.30 1gjo s MET 640 Ca 0.07 1.28 0.00 0.00 0.00 0.00 0.00 55.69 57.04 1gjo s MET 640 Cb -0.12 -3.51 0.02 0.00 0.00 0.00 0.00 34.83 31.23 1gjo s MET 640 CO 0.00 -0.17 -0.07 0.15 0.00 0.00 0.00 175.02 174.93 1gjo s LYS 641 N 1.53 1.31 0.04 2.03 1.02 0.34 -4.38 119.74 121.62 1gjo s LYS 641 Ca 0.47 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1gjo s LYS 641 Cb -0.19 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 1gjo s LYS 641 CO 0.21 -0.20 1.21 0.42 -0.92 0.00 0.00 175.35 176.07 1gjo s ILE 642 N 1.47 4.06 0.16 2.17 1.01 -0.04 -0.43 121.20 129.60 1gjo s ILE 642 Ca -0.00 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.12 1gjo s ILE 642 Cb -0.13 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1gjo s ILE 642 CO -0.05 0.09 0.03 0.00 0.00 0.00 0.00 174.94 175.01 1gjo n ALA 643 N 4.22 0.18 -2.99 9.38 0.00 0.23 -1.79 120.51 129.75 1gjo n ALA 643 Ca 0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1gjo n ALA 643 Cb 0.46 0.47 0.01 0.00 0.00 0.00 0.00 19.45 20.39 1gjo n ALA 643 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gjo n ASP 644 N -1.58 -7.64 -1.61 0.00 10.43 -1.26 -4.84 116.55 110.04 1gjo n ASP 644 Ca -0.04 0.28 -0.03 0.00 2.57 0.00 0.00 54.79 57.56 1gjo n ASP 644 Cb 0.22 -4.99 0.22 0.00 1.84 0.00 0.00 41.12 38.41 1gjo n ASP 644 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1gjo n PHE 645 N -0.76 1.71 0.18 1.24 3.01 -1.26 -4.46 117.46 117.12 1gjo n PHE 645 Ca 0.06 -0.86 0.04 0.00 1.01 0.00 0.00 57.45 57.70 1gjo n PHE 645 Cb 0.50 -0.52 0.43 0.00 -0.01 0.00 0.00 39.48 39.87 1gjo n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1gjo h GLY 646 N 3.41 0.07 -0.75 1.37 0.00 -1.91 -3.10 103.07 102.16 1gjo h GLY 646 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1gjo h GLY 646 CO 0.51 0.04 -0.46 1.04 0.00 0.00 0.00 176.54 177.67 1gjo n LEU 647 N -4.25 1.70 -4.56 3.11 4.77 -1.26 -4.66 117.00 111.85 1gjo n LEU 647 Ca -0.02 -0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 54.94 1gjo n LEU 647 Cb 0.30 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.60 1gjo n LEU 647 CO 0.38 0.33 0.58 0.00 -1.33 0.00 0.00 177.39 177.35 1gjo s ALA 648 N -2.24 0.31 0.05 -1.18 0.00 -1.14 -4.72 121.76 112.84 1gjo s ALA 648 Ca 0.15 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1gjo s ALA 648 Cb 0.15 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1gjo s ALA 648 CO 0.52 -3.41 0.10 1.03 0.00 0.00 0.00 175.76 174.00 1gjo s ARG 649 N -4.53 0.64 -0.41 0.00 0.52 -0.14 -4.98 118.95 110.05 1gjo s ARG 649 Ca 0.68 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.87 1gjo s ARG 649 Cb -0.24 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.49 1gjo s ARG 649 CO 0.62 -0.17 0.46 0.34 0.02 0.00 0.00 175.30 176.58 1gjo s ASP 650 N -2.36 6.22 -0.09 0.23 2.15 -1.26 -2.23 116.67 119.33 1gjo s ASP 650 Ca -0.02 -0.51 0.17 0.00 0.43 0.00 0.00 52.55 52.62 1gjo s ASP 650 Cb 0.01 -2.24 0.61 0.00 -0.30 0.00 0.00 42.92 41.00 1gjo s ASP 650 CO -0.06 -0.57 1.52 -0.38 -0.17 0.00 0.00 175.17 175.51 1gjo n ILE 651 N 5.47 1.68 -0.07 4.11 2.08 0.13 -4.59 119.36 128.15 1gjo n ILE 651 Ca -0.06 -1.24 -0.08 0.00 0.56 0.00 0.00 62.75 61.92 1gjo n ILE 651 Cb 0.48 0.18 -0.02 0.00 -0.75 0.00 0.00 39.64 39.53 1gjo n ILE 651 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1gjo h ASN 652 N 3.38 -0.96 0.00 4.38 4.21 -1.89 -3.34 115.58 121.36 1gjo h ASN 652 Ca 0.00 0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1gjo h ASN 652 Cb 1.28 0.44 -0.00 0.00 -1.12 0.00 0.00 38.32 38.92 1gjo h ASN 652 CO 0.17 -0.31 -1.12 0.59 -1.29 0.00 0.00 177.43 175.47 1gjo n ASN 653 N -5.40 4.47 -4.22 5.81 4.13 -1.26 -5.02 115.26 113.76 1gjo n ASN 653 Ca -0.00 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 1gjo n ASN 653 Cb 0.32 0.94 -0.16 0.00 -1.54 0.00 0.00 39.78 39.34 1gjo n ASN 653 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1gjo s ILE 654 N -2.13 1.85 -1.05 2.41 -1.09 -1.25 -5.03 121.20 114.91 1gjo s ILE 654 Ca -0.01 -0.94 0.14 0.00 -2.23 0.00 0.00 60.65 57.60 1gjo s ILE 654 Cb 0.01 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 1gjo s ILE 654 CO 0.09 0.52 0.70 -0.90 -1.23 0.00 0.00 174.94 174.12 1gjo n ASP 655 N 3.09 1.19 -2.23 3.58 5.68 -1.26 -4.15 116.55 122.45 1gjo n ASP 655 Ca -0.18 -1.09 -0.17 0.00 -0.50 0.00 0.00 54.79 52.84 1gjo n ASP 655 Cb 0.52 0.65 0.01 0.00 -1.14 0.00 0.00 41.12 41.16 1gjo n ASP 655 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1gjo n TYR 656 N -0.55 -1.25 -1.68 2.11 4.02 -1.26 -4.70 117.16 113.84 1gjo n TYR 656 Ca 0.05 0.24 -0.48 0.00 -0.01 0.00 0.00 57.90 57.70 1gjo n TYR 656 Cb 0.26 -3.65 -0.05 0.00 -0.02 0.00 0.00 39.34 35.89 1gjo n TYR 656 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1gjo n TYR 657 N -4.16 2.33 -1.19 -0.72 9.36 -1.26 -0.91 117.16 120.60 1gjo n TYR 657 Ca -0.14 0.01 -0.06 0.00 3.32 0.00 0.00 57.90 61.03 1gjo n TYR 657 Cb 0.62 -2.66 -0.03 0.00 -0.63 0.00 0.00 39.34 36.64 1gjo n TYR 657 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1gjo n LYS 658 N 6.52 -0.94 -0.05 2.98 4.76 0.28 -4.86 118.16 126.85 1gjo n LYS 658 Ca 0.22 0.62 -0.06 0.00 -2.87 0.00 0.00 58.31 56.23 1gjo n LYS 658 Cb 0.29 -4.54 -0.06 0.00 -1.84 0.00 0.00 35.03 28.88 1gjo n LYS 658 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1gjo n LYS 659 N -1.81 1.72 -2.60 1.97 5.02 -0.09 -4.93 118.16 117.45 1gjo n LYS 659 Ca -0.06 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 1gjo n LYS 659 Cb 0.33 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1gjo n LYS 659 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1gjo s THR 660 N -2.21 4.10 -0.95 -0.18 -4.23 -1.13 -4.86 115.64 106.18 1gjo s THR 660 Ca -0.08 1.03 0.26 0.00 -1.18 0.00 0.00 61.69 61.71 1gjo s THR 660 Cb 0.03 -4.67 0.06 0.00 1.34 0.00 0.00 72.50 69.26 1gjo s THR 660 CO 0.32 -1.20 1.52 0.35 -0.54 0.00 0.00 174.62 175.06 1gjo n THR 661 N 6.74 0.06 -4.30 3.99 -2.24 -1.26 -3.56 114.28 113.71 1gjo n THR 661 Ca 0.10 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1gjo n THR 661 Cb 0.49 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1gjo n THR 661 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gjo n ASN 662 N -1.60 -2.89 0.00 3.42 4.13 -1.26 -4.86 115.26 112.20 1gjo n ASN 662 Ca 0.06 -1.07 0.13 0.00 1.68 0.00 0.00 54.58 55.37 1gjo n ASN 662 Cb 0.35 -2.48 0.62 0.00 -1.54 0.00 0.00 39.78 36.74 1gjo n ASN 662 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gjo n GLY 663 N -1.34 -1.20 0.82 7.41 0.00 -1.26 -3.33 105.19 106.30 1gjo n GLY 663 Ca 0.08 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1gjo n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjo n ARG 664 N -1.34 2.58 -3.61 1.61 1.74 -1.26 -4.97 116.66 111.42 1gjo n ARG 664 Ca 0.11 -2.12 -0.37 0.00 -0.77 0.00 0.00 57.85 54.69 1gjo n ARG 664 Cb 0.23 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1gjo n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gjo s LEU 665 N -1.03 4.44 0.03 0.55 1.43 -1.21 -5.03 118.68 117.85 1gjo s LEU 665 Ca 0.29 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 1gjo s LEU 665 Cb 0.16 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 1gjo s LEU 665 CO 0.21 0.32 1.62 -2.16 0.23 0.00 0.00 176.35 176.57 1gjo s PRO 666 N -1.21 4.21 0.33 1.29 0.04 -1.26 -4.91 135.00 133.48 1gjo s PRO 666 Ca 0.23 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.57 1gjo s PRO 666 Cb -0.15 -3.68 0.68 0.00 0.04 0.00 0.00 34.50 31.38 1gjo s PRO 666 CO 0.12 -0.74 1.90 -0.39 0.04 0.00 0.00 177.00 177.94 1gjo h VAL 667 N 4.99 0.97 0.00 -0.36 -1.51 -1.96 -2.53 116.25 115.85 1gjo h VAL 667 Ca -0.41 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1gjo h VAL 667 Cb 1.19 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1gjo h VAL 667 CO 0.93 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 177.71 1gjo n LYS 668 N -4.52 0.04 -0.00 5.19 5.02 -1.26 -2.00 118.16 120.62 1gjo n LYS 668 Ca 0.15 0.29 0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1gjo n LYS 668 Cb 0.31 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1gjo n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1gjo n TRP 669 N -1.45 0.01 -3.11 2.13 8.01 -0.96 -4.98 117.44 117.09 1gjo n TRP 669 Ca 0.03 -0.01 -0.38 0.00 -1.31 0.00 0.00 57.50 55.83 1gjo n TRP 669 Cb 0.11 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.35 1gjo n TRP 669 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1gjo s MET 670 N -0.68 4.36 0.46 -0.99 -1.94 -0.85 -4.01 119.30 115.65 1gjo s MET 670 Ca 0.10 0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 54.82 1gjo s MET 670 Cb 0.07 -3.16 -0.10 0.00 2.01 0.00 0.00 34.83 33.65 1gjo s MET 670 CO 0.10 0.55 0.97 0.00 -0.01 0.00 0.00 175.02 176.63 1gjo s ALA 671 N -1.23 3.03 0.28 3.03 0.00 -1.26 -4.89 121.76 120.71 1gjo s ALA 671 Ca 0.35 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1gjo s ALA 671 Cb -0.20 -3.15 0.56 0.00 0.00 0.00 0.00 23.12 20.33 1gjo s ALA 671 CO 0.23 -0.01 1.80 -1.35 0.00 0.00 0.00 175.76 176.43 1gjo h PRO 672 N 1.63 0.82 0.00 0.00 0.11 -1.96 -0.95 132.00 131.65 1gjo h PRO 672 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 1gjo h PRO 672 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1gjo h PRO 672 CO 0.61 0.54 -0.24 0.93 -0.21 0.00 0.00 178.00 179.63 1gjo h GLU 673 N 0.85 0.00 -0.05 1.05 3.07 -1.91 -0.31 114.58 117.27 1gjo h GLU 673 Ca 0.49 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.13 1gjo h GLU 673 Cb 0.59 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1gjo h GLU 673 CO -0.31 0.24 -0.82 0.00 -1.40 0.00 0.00 179.01 176.72 1gjo h ALA 674 N 1.76 0.17 -0.09 3.43 0.00 -1.31 -0.08 119.26 123.14 1gjo h ALA 674 Ca -0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 1gjo h ALA 674 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1gjo h ALA 674 CO 0.03 0.58 -0.68 -0.07 0.00 0.00 0.00 179.25 179.11 1gjo h LEU 675 N 0.30 0.46 0.00 0.00 3.38 -1.06 -3.39 115.31 114.99 1gjo h LEU 675 Ca -0.09 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gjo h LEU 675 Cb 1.48 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1gjo h LEU 675 CO 0.16 1.01 -1.01 0.49 0.09 0.00 0.00 178.44 179.18 1gjo n PHE 676 N -3.86 0.00 0.13 1.13 3.72 -0.15 -4.84 117.46 113.59 1gjo n PHE 676 Ca -0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 1gjo n PHE 676 Cb 0.68 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 39.41 1gjo n PHE 676 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1gjo n ASP 677 N -1.76 3.24 -3.65 4.37 8.00 -0.06 -4.99 116.55 121.71 1gjo n ASP 677 Ca -0.00 -1.93 -0.25 0.00 0.71 0.00 0.00 54.79 53.32 1gjo n ASP 677 Cb 0.26 -0.25 0.07 0.00 -0.02 0.00 0.00 41.12 41.18 1gjo n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gjo n ARG 678 N 1.22 -7.52 -4.09 -1.24 1.74 -1.14 -4.62 116.66 101.01 1gjo n ARG 678 Ca 0.17 0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 57.95 1gjo n ARG 678 Cb 0.53 -5.82 -0.10 0.00 -1.02 0.00 0.00 32.46 26.06 1gjo n ARG 678 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1gjo s VAL 679 N -3.32 0.14 -0.28 1.55 -7.23 -1.22 -0.56 120.40 109.48 1gjo s VAL 679 Ca 0.58 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.85 1gjo s VAL 679 Cb -0.26 -1.81 0.11 0.00 0.56 0.00 0.00 36.38 34.98 1gjo s VAL 679 CO 0.75 -0.64 0.65 -0.47 -0.31 0.00 0.00 175.10 175.08 1gjo s TYR 680 N -3.99 -1.20 0.34 2.82 5.04 -1.26 -3.86 117.35 115.25 1gjo s TYR 680 Ca 0.17 2.20 0.04 0.00 -2.44 0.00 0.00 57.07 57.03 1gjo s TYR 680 Cb 0.07 0.71 -0.01 0.00 0.35 0.00 0.00 41.96 43.08 1gjo s TYR 680 CO -0.03 -0.60 0.13 0.25 -1.34 0.00 0.00 175.55 173.96 1gjo n THR 681 N 5.00 0.00 0.12 4.34 -2.24 -1.26 -4.97 114.28 115.28 1gjo n THR 681 Ca -0.15 -2.00 0.04 0.00 -2.27 0.00 0.00 64.05 59.67 1gjo n THR 681 Cb 0.53 0.74 0.45 0.00 -2.10 0.00 0.00 70.33 69.94 1gjo n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1gjo h HIS 682 N 1.59 0.26 -0.03 4.78 3.86 -2.00 -1.09 115.15 122.52 1gjo h HIS 682 Ca -0.26 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 58.89 1gjo h HIS 682 Cb 1.02 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1gjo h HIS 682 CO 0.00 0.28 -0.20 1.96 0.86 0.00 0.00 177.93 180.84 1gjo h GLN 683 N 0.26 0.04 -0.23 2.45 1.08 -1.94 -0.96 115.11 115.81 1gjo h GLN 683 Ca 0.06 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 1gjo h GLN 683 Cb 0.19 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1gjo h GLN 683 CO 0.00 0.24 -0.28 0.77 -0.95 0.00 0.00 178.83 178.61 1gjo h SER 684 N 0.04 0.47 0.27 1.46 0.02 -1.58 -2.62 113.55 111.61 1gjo h SER 684 Ca 0.01 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 1gjo h SER 684 Cb 0.38 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1gjo h SER 684 CO 0.03 0.74 -0.41 0.44 -1.14 0.00 0.00 176.83 176.49 1gjo h ASP 685 N 0.40 0.20 0.06 3.07 3.45 -1.04 -2.97 116.42 119.58 1gjo h ASP 685 Ca 0.05 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 1gjo h ASP 685 Cb 0.71 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1gjo h ASP 685 CO 0.05 0.59 -0.31 -0.37 -1.57 0.00 0.00 179.24 177.64 1gjo h VAL 686 N 0.16 1.27 -0.12 -1.35 -1.51 -1.05 -0.76 116.25 112.89 1gjo h VAL 686 Ca 0.01 -1.33 0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1gjo h VAL 686 Cb 0.80 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1gjo h VAL 686 CO 0.06 0.41 0.07 -0.25 -1.23 0.00 0.00 177.57 176.63 1gjo h TRP 687 N 0.33 0.12 -0.57 5.19 2.91 -1.40 -0.88 115.95 121.65 1gjo h TRP 687 Ca 0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 1gjo h TRP 687 Cb 0.71 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.29 1gjo h TRP 687 CO 0.02 0.07 0.32 0.77 -1.03 0.00 0.00 178.44 178.59 1gjo h SER 688 N 0.14 0.68 -0.83 2.65 0.02 -1.41 -1.44 113.55 113.37 1gjo h SER 688 Ca 0.05 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1gjo h SER 688 Cb 0.00 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1gjo h SER 688 CO -0.03 0.54 0.42 0.15 -1.14 0.00 0.00 176.83 176.78 1gjo h PHE 689 N 0.78 1.18 -0.89 3.45 3.57 -0.20 0.61 116.94 125.44 1gjo h PHE 689 Ca 0.20 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1gjo h PHE 689 Cb 0.01 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1gjo h PHE 689 CO 0.00 0.85 0.51 0.78 -2.23 0.00 0.00 178.31 178.22 1gjo h GLY 690 N 1.20 1.32 1.62 2.40 0.00 -0.11 0.19 103.07 109.68 1gjo h GLY 690 Ca 0.29 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1gjo h GLY 690 CO -0.04 0.56 -0.33 -2.08 0.00 0.00 0.00 176.54 174.65 1gjo h VAL 691 N 1.24 1.28 -0.60 4.60 2.07 -0.97 -1.95 116.25 121.92 1gjo h VAL 691 Ca 0.32 -1.40 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 1gjo h VAL 691 Cb -0.00 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1gjo h VAL 691 CO -0.05 0.44 -0.02 0.25 0.02 0.00 0.00 177.57 178.20 1gjo h LEU 692 N 0.37 1.05 -0.37 2.57 5.85 0.48 -2.10 115.31 123.16 1gjo h LEU 692 Ca 0.05 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1gjo h LEU 692 Cb 0.76 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1gjo h LEU 692 CO 0.06 1.11 0.23 0.24 -0.34 0.00 0.00 178.44 179.74 1gjo h MET 693 N 0.97 0.50 -0.76 1.25 2.86 -0.34 -1.64 114.93 117.76 1gjo h MET 693 Ca 0.17 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1gjo h MET 693 Cb 0.59 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1gjo h MET 693 CO 0.03 0.36 0.44 2.35 1.06 0.00 0.00 176.91 181.15 1gjo h TRP 694 N 0.49 0.80 -0.56 -0.22 7.01 -1.16 0.06 115.95 122.36 1gjo h TRP 694 Ca 0.13 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1gjo h TRP 694 Cb -0.02 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.77 1gjo h TRP 694 CO -0.04 0.36 0.36 0.93 -2.79 0.00 0.00 178.44 177.26 1gjo h GLU 695 N 0.77 0.75 -0.04 2.65 5.08 -0.73 -1.78 114.58 121.28 1gjo h GLU 695 Ca 0.35 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1gjo h GLU 695 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1gjo h GLU 695 CO -0.21 0.51 -0.16 0.82 -1.00 0.00 0.00 179.01 178.97 1gjo h ILE 696 N 0.77 1.46 0.00 3.13 2.04 -0.25 0.39 117.51 125.05 1gjo h ILE 696 Ca 0.20 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1gjo h ILE 696 Cb -0.06 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1gjo h ILE 696 CO -0.04 0.44 0.00 0.49 0.00 0.00 0.00 178.15 179.04 1gjo n PHE 697 N -4.59 0.00 0.32 1.37 3.72 -0.13 -1.43 117.46 116.71 1gjo n PHE 697 Ca -0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.37 1gjo n PHE 697 Cb 0.41 -0.08 0.06 0.00 -0.94 0.00 0.00 39.48 38.93 1gjo n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1gjo n THR 698 N -1.08 0.18 -3.30 4.37 -2.24 -0.69 -4.49 114.28 107.03 1gjo n THR 698 Ca 0.17 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1gjo n THR 698 Cb 0.12 1.08 0.05 0.00 -2.10 0.00 0.00 70.33 69.48 1gjo n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gjo n LEU 699 N 0.54 -5.33 -0.31 3.22 4.77 -0.51 -3.49 117.00 115.88 1gjo n LEU 699 Ca 0.07 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.39 1gjo n LEU 699 Cb 0.28 -3.06 -0.00 0.00 -2.33 0.00 0.00 43.42 38.31 1gjo n LEU 699 CO 0.06 -0.10 -0.04 0.61 -1.33 0.00 0.00 177.39 176.60 1gjo n GLY 700 N -1.43 0.26 3.82 -0.72 0.00 0.14 -3.67 105.19 103.58 1gjo n GLY 700 Ca -0.07 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1gjo n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gjo s GLY 701 N -2.88 1.93 -0.29 -0.02 0.00 -1.22 -4.88 107.32 99.96 1gjo s GLY 701 Ca 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.74 1gjo s GLY 701 CO 0.00 0.53 0.64 -0.56 0.00 0.00 0.00 173.10 173.71 1gjo s SER 702 N -3.27 6.54 0.38 1.64 0.01 -1.26 -4.69 113.70 113.04 1gjo s SER 702 Ca 0.60 0.53 -0.26 0.00 1.31 0.00 0.00 55.95 58.14 1gjo s SER 702 Cb -0.14 -2.34 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 1gjo s SER 702 CO 0.43 -0.46 1.16 -0.81 0.41 0.00 0.00 173.24 173.98 1gjo n PRO 703 N 5.86 1.72 -3.57 12.44 -0.04 -1.26 -2.96 135.00 147.19 1gjo n PRO 703 Ca -0.00 0.61 -0.23 0.00 -0.04 0.00 0.00 63.50 63.84 1gjo n PRO 703 Cb 0.49 -2.19 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1gjo n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gjo n TYR 704 N -0.10 -2.07 -1.70 0.54 4.01 -1.26 -4.88 117.16 111.71 1gjo n TYR 704 Ca 0.07 0.71 -0.43 0.00 -0.16 0.00 0.00 57.90 58.09 1gjo n TYR 704 Cb 0.37 -4.01 -0.02 0.00 -0.31 0.00 0.00 39.34 35.38 1gjo n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1gjo n PRO 705 N -3.96 2.27 -0.92 -0.72 -0.04 -1.16 -1.65 135.00 128.82 1gjo n PRO 705 Ca -0.17 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1gjo n PRO 705 Cb 0.63 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1gjo n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gjo n GLY 706 N 1.74 0.74 3.13 0.55 0.00 -1.26 -4.99 105.19 105.10 1gjo n GLY 706 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1gjo n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gjo s ILE 707 N -3.14 2.41 0.52 -0.61 1.01 -0.66 -5.12 121.20 115.61 1gjo s ILE 707 Ca 0.00 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.18 1gjo s ILE 707 Cb 0.00 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 1gjo s ILE 707 CO 0.00 0.17 1.15 -2.16 0.00 0.00 0.00 174.94 174.11 1gjo s PRO 708 N 1.22 3.45 0.36 2.79 0.04 -1.26 -4.91 135.00 136.70 1gjo s PRO 708 Ca -0.03 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1gjo s PRO 708 Cb -0.17 -2.14 0.87 0.00 0.04 0.00 0.00 34.50 33.09 1gjo s PRO 708 CO -0.07 -0.79 1.86 -0.39 0.04 0.00 0.00 177.00 177.66 1gjo h VAL 709 N 1.41 0.79 -0.48 -0.36 -1.51 -1.99 -2.11 116.25 112.00 1gjo h VAL 709 Ca -0.50 -0.22 0.13 0.00 -1.23 0.00 0.00 66.70 64.88 1gjo h VAL 709 Cb 1.26 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1gjo h VAL 709 CO 0.58 0.12 0.34 1.05 -1.23 0.00 0.00 177.57 178.42 1gjo h GLU 710 N 0.64 0.07 -0.02 5.19 9.09 -2.04 -1.30 114.58 126.21 1gjo h GLU 710 Ca 0.46 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1gjo h GLU 710 Cb 0.82 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1gjo h GLU 710 CO -0.21 0.05 -0.47 -0.85 0.05 0.00 0.00 179.01 177.58 1gjo n GLU 711 N -4.42 1.18 0.27 1.06 0.28 -0.80 -4.29 120.64 113.93 1gjo n GLU 711 Ca 0.08 -0.97 0.16 0.00 -0.16 0.00 0.00 57.16 56.28 1gjo n GLU 711 Cb 0.50 -1.48 0.71 0.00 1.43 0.00 0.00 31.44 32.61 1gjo n GLU 711 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1gjo h LEU 712 N 2.36 0.00 -0.79 -1.84 6.46 -1.18 -3.00 115.31 117.33 1gjo h LEU 712 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1gjo h LEU 712 Cb 0.74 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1gjo h LEU 712 CO 0.00 0.05 0.17 -0.26 -0.62 0.00 0.00 178.44 177.78 1gjo h PHE 713 N 0.00 1.13 0.21 1.25 0.04 -1.75 -1.89 116.94 115.93 1gjo h PHE 713 Ca -0.00 -0.13 -0.33 0.00 2.80 0.00 0.00 57.97 60.31 1gjo h PHE 713 Cb 0.48 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.33 1gjo h PHE 713 CO 0.00 0.92 -1.55 0.87 -0.60 0.00 0.00 178.31 177.95 1gjo h LYS 714 N 1.03 0.45 -0.84 1.51 1.79 -1.84 -3.34 116.57 115.33 1gjo h LYS 714 Ca 0.22 -0.76 0.03 0.00 -2.18 0.00 0.00 60.65 57.96 1gjo h LYS 714 Cb 0.35 0.28 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 1gjo h LYS 714 CO 0.00 1.36 0.54 -0.07 -1.08 0.00 0.00 179.45 180.21 1gjo h LEU 715 N 0.06 0.90 -1.67 2.94 3.38 -1.50 -1.63 115.31 117.78 1gjo h LEU 715 Ca -0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1gjo h LEU 715 Cb 2.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1gjo h LEU 715 CO 0.21 0.62 -0.03 0.25 0.09 0.00 0.00 178.44 179.58 1gjo h LEU 716 N 1.05 0.15 -0.37 1.67 5.85 -1.49 -1.67 115.31 120.50 1gjo h LEU 716 Ca 0.33 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.85 1gjo h LEU 716 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1gjo h LEU 716 CO -0.11 0.21 -0.79 0.11 -0.34 0.00 0.00 178.44 177.52 1gjo h LYS 717 N 0.17 0.32 0.00 1.25 1.57 -1.44 -3.05 116.57 115.39 1gjo h LYS 717 Ca 0.04 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1gjo h LYS 717 Cb 0.17 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1gjo h LYS 717 CO 0.01 0.95 0.00 0.39 -0.57 0.00 0.00 179.45 180.23 1gjo n GLU 718 N -3.78 0.03 -0.23 3.15 4.71 -0.69 -4.86 120.64 118.98 1gjo n GLU 718 Ca -0.04 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1gjo n GLU 718 Cb 0.74 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.61 1gjo n GLU 718 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gjo n GLY 719 N -0.00 0.87 3.77 0.62 0.00 -1.07 -5.07 105.19 104.30 1gjo n GLY 719 Ca 0.03 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1gjo n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gjo s HIS 720 N -2.00 2.98 0.17 1.61 5.04 -0.86 -5.04 115.29 117.19 1gjo s HIS 720 Ca 0.00 1.50 -0.08 0.00 -1.54 0.00 0.00 55.06 54.94 1gjo s HIS 720 Cb 0.00 -3.50 -0.01 0.00 0.04 0.00 0.00 32.58 29.10 1gjo s HIS 720 CO 0.00 -1.61 0.26 1.03 -2.34 0.00 0.00 174.74 172.08 1gjo s ARG 721 N -2.26 1.16 0.51 2.88 1.81 -1.26 -4.68 118.95 117.11 1gjo s ARG 721 Ca 0.57 -1.25 -0.15 0.00 -1.72 0.00 0.00 55.73 53.18 1gjo s ARG 721 Cb -0.34 0.36 -0.07 0.00 -0.45 0.00 0.00 34.95 34.45 1gjo s ARG 721 CO 0.43 -0.42 0.96 -1.64 -0.68 0.00 0.00 175.30 173.95 1gjo s MET 722 N -4.00 3.89 0.45 3.54 -1.94 -1.26 -5.08 119.30 114.91 1gjo s MET 722 Ca 0.20 0.86 0.02 0.00 -1.71 0.00 0.00 55.69 55.06 1gjo s MET 722 Cb 0.04 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1gjo s MET 722 CO 0.02 -0.27 0.66 0.16 -0.01 0.00 0.00 175.02 175.58 1gjo s ASP 723 N -3.20 5.69 0.18 3.03 1.47 -1.26 -5.03 116.67 117.55 1gjo s ASP 723 Ca 0.57 0.07 -0.32 0.00 1.18 0.00 0.00 52.55 54.05 1gjo s ASP 723 Cb -0.10 -1.23 -0.12 0.00 -0.34 0.00 0.00 42.92 41.13 1gjo s ASP 723 CO 0.34 -0.78 1.73 1.17 0.68 0.00 0.00 175.17 178.31 1gjo n LYS 724 N -2.06 2.70 -2.44 2.11 4.81 -1.26 -4.98 118.16 117.05 1gjo n LYS 724 Ca 0.03 0.98 -0.41 0.00 -0.87 0.00 0.00 58.31 58.04 1gjo n LYS 724 Cb 0.58 -2.82 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 1gjo n LYS 724 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1gjo s PRO 725 N 1.50 4.59 -0.12 1.64 0.02 -1.26 -4.91 135.00 136.46 1gjo s PRO 725 Ca 0.77 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 63.58 1gjo s PRO 725 Cb -0.52 -3.20 -0.17 0.00 0.02 0.00 0.00 34.50 30.63 1gjo s PRO 725 CO 0.34 0.11 2.58 0.00 -0.33 0.00 0.00 177.00 179.70 1gjo n ALA 726 N 1.56 4.72 -1.63 -1.55 0.00 -1.26 -1.92 120.51 120.42 1gjo n ALA 726 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 53.44 52.06 1gjo n ALA 726 Cb 0.45 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1gjo n ALA 726 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gjo n ASN 727 N 2.82 -0.31 -4.07 0.00 2.85 -1.26 -5.13 115.26 110.16 1gjo n ASN 727 Ca 0.32 -0.70 -0.20 0.00 -0.11 0.00 0.00 54.58 53.89 1gjo n ASN 727 Cb 0.57 0.09 -0.14 0.00 1.24 0.00 0.00 39.78 41.53 1gjo n ASN 727 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gjo s THR 729 N -0.40 2.53 -0.03 0.00 2.01 -1.26 -4.90 115.64 113.59 1gjo s THR 729 Ca 0.03 0.17 0.17 0.00 0.31 0.00 0.00 61.69 62.37 1gjo s THR 729 Cb -0.05 -2.63 0.10 0.00 0.01 0.00 0.00 72.50 69.93 1gjo s THR 729 CO -0.00 -0.22 1.57 0.78 -0.69 0.00 0.00 174.62 176.05 1gjo h ASN 730 N -1.66 0.00 0.27 3.53 2.35 -1.99 -2.69 115.58 115.40 1gjo h ASN 730 Ca -0.51 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.03 1gjo h ASN 730 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1gjo h ASN 730 CO 0.54 0.44 -0.86 -0.08 -1.65 0.00 0.00 177.43 175.83 1gjo h GLU 731 N 0.00 0.44 -0.22 0.81 4.81 -2.00 -2.82 114.58 115.61 1gjo h GLU 731 Ca -0.00 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1gjo h GLU 731 Cb 1.18 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1gjo h GLU 731 CO 0.06 1.07 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.20 1gjo h LEU 732 N 0.27 0.50 -2.14 1.64 3.38 -1.92 -3.00 115.31 114.05 1gjo h LEU 732 Ca -0.06 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1gjo h LEU 732 Cb 1.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1gjo h LEU 732 CO 0.15 0.83 -0.03 0.22 0.09 0.00 0.00 178.44 179.70 1gjo h TYR 733 N 0.18 0.00 0.00 1.13 3.20 -1.50 -1.00 116.97 118.98 1gjo h TYR 733 Ca 0.04 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1gjo h TYR 733 Cb 0.66 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1gjo h TYR 733 CO 0.07 0.03 -0.60 0.52 -1.64 0.00 0.00 178.16 176.54 1gjo h MET 734 N 0.00 0.00 -0.16 1.82 2.86 -1.36 -1.65 114.93 116.45 1gjo h MET 734 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1gjo h MET 734 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1gjo h MET 734 CO 0.00 0.60 -0.03 0.52 1.06 0.00 0.00 176.91 179.07 1gjo h MET 735 N 0.00 0.30 0.33 1.72 2.86 -1.10 -0.71 114.93 118.33 1gjo h MET 735 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1gjo h MET 735 Cb 1.11 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 1gjo h MET 735 CO 0.08 0.56 -0.42 0.52 1.06 0.00 0.00 176.91 178.70 1gjo h MET 736 N 0.01 -0.77 -0.34 1.72 2.07 -1.36 -0.59 114.93 115.66 1gjo h MET 736 Ca 0.04 0.05 0.10 0.00 -2.07 0.00 0.00 59.70 57.82 1gjo h MET 736 Cb 0.45 0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 1gjo h MET 736 CO 0.01 -0.51 0.31 0.00 1.07 0.00 0.00 176.91 177.79 1gjo h ARG 737 N -0.80 0.00 0.04 1.72 2.47 -1.26 0.89 114.38 117.44 1gjo h ARG 737 Ca -0.02 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.47 1gjo h ARG 737 Cb 0.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1gjo h ARG 737 CO -0.12 0.00 -1.02 -0.44 0.56 0.00 0.00 179.97 178.95 1gjo h ASP 738 N 0.00 0.35 0.93 7.04 5.19 -0.15 -3.11 116.42 126.66 1gjo h ASP 738 Ca 0.16 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 1gjo h ASP 738 Cb 0.78 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 1gjo h ASP 738 CO -0.00 1.17 -0.08 0.00 -3.12 0.00 0.00 179.24 177.20 1gjo n TRP 740 N -3.22 2.87 -2.52 0.00 8.01 -0.79 -3.82 117.44 117.96 1gjo n TRP 740 Ca 0.00 -1.69 -0.40 0.00 -1.31 0.00 0.00 57.50 54.10 1gjo n TRP 740 Cb 0.34 -0.87 -0.04 0.00 -2.01 0.00 0.00 31.31 28.72 1gjo n TRP 740 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1gjo s HIS 741 N -3.23 3.64 0.25 -5.99 3.76 -1.20 -4.92 115.29 107.60 1gjo s HIS 741 Ca 0.56 1.70 -0.04 0.00 -0.15 0.00 0.00 55.06 57.13 1gjo s HIS 741 Cb 0.47 -3.24 0.39 0.00 1.11 0.00 0.00 32.58 31.31 1gjo s HIS 741 CO 0.11 -0.42 1.83 0.00 -0.85 0.00 0.00 174.74 175.41 1gjo h ALA 742 N 4.21 1.20 -2.31 -1.40 0.00 -1.94 -3.38 119.26 115.64 1gjo h ALA 742 Ca -0.46 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1gjo h ALA 742 Cb 1.21 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1gjo h ALA 742 CO 0.69 0.17 0.36 0.08 0.00 0.00 0.00 179.25 180.54 1gjo s VAL 743 N -6.04 4.85 0.21 0.00 1.01 -1.26 -4.89 120.40 114.28 1gjo s VAL 743 Ca -0.12 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 1gjo s VAL 743 Cb 0.19 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.67 1gjo s VAL 743 CO 0.79 -0.14 1.67 -0.65 0.00 0.00 0.00 175.10 176.77 1gjo h PRO 744 N 7.95 0.12 0.00 2.72 0.11 -1.96 -2.09 132.00 138.85 1gjo h PRO 744 Ca -0.25 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gjo h PRO 744 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1gjo h PRO 744 CO 0.85 0.08 -0.00 0.66 -0.21 0.00 0.00 178.00 179.38 1gjo h SER 745 N 0.12 0.00 0.79 -2.05 4.64 -1.94 -1.47 113.55 113.64 1gjo h SER 745 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gjo h SER 745 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1gjo h SER 745 CO -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.30 1gjo n GLN 746 N -3.63 0.05 -2.60 4.77 6.02 -0.79 -4.85 117.38 116.36 1gjo n GLN 746 Ca -0.03 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.63 1gjo n GLN 746 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1gjo n GLN 746 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1gjo s ARG 747 N -2.96 3.89 0.64 -1.09 0.52 -0.56 -4.95 118.95 114.44 1gjo s ARG 747 Ca 0.14 0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 1gjo s ARG 747 Cb 0.19 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1gjo s ARG 747 CO 0.58 -0.17 1.07 -1.25 0.02 0.00 0.00 175.30 175.55 1gjo s PRO 748 N -3.94 3.09 0.68 3.54 0.04 -1.26 -5.05 135.00 132.10 1gjo s PRO 748 Ca 0.56 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 1gjo s PRO 748 Cb -0.10 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1gjo s PRO 748 CO 0.31 -1.00 0.97 0.95 0.04 0.00 0.00 177.00 178.28 1gjo s THR 749 N -2.58 2.33 0.25 1.26 -4.23 -1.26 -4.92 115.64 106.50 1gjo s THR 749 Ca 0.63 -0.37 0.19 0.00 -1.18 0.00 0.00 61.69 60.96 1gjo s THR 749 Cb -0.16 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.86 1gjo s THR 749 CO 0.42 0.00 1.81 -0.26 -0.54 0.00 0.00 174.62 176.05 1gjo h PHE 750 N -0.49 0.00 -0.35 3.99 0.04 -1.94 -1.85 116.94 116.35 1gjo h PHE 750 Ca -0.43 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.29 1gjo h PHE 750 Cb 1.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1gjo h PHE 750 CO 0.25 0.34 0.04 -0.22 -0.60 0.00 0.00 178.31 178.11 1gjo h LYS 751 N 0.00 0.59 -0.40 1.51 3.64 -1.93 -1.23 116.57 118.74 1gjo h LYS 751 Ca -0.00 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1gjo h LYS 751 Cb 0.76 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1gjo h LYS 751 CO 0.04 0.68 0.01 1.96 -2.27 0.00 0.00 179.45 179.88 1gjo h GLN 752 N 0.41 0.70 -0.27 1.90 4.20 -1.90 -1.72 115.11 118.43 1gjo h GLN 752 Ca 0.10 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.64 1gjo h GLN 752 Cb 0.39 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1gjo h GLN 752 CO 0.01 0.78 0.19 -0.07 -0.67 0.00 0.00 178.83 179.07 1gjo h LEU 753 N 0.53 0.17 -0.00 1.46 3.38 -1.11 -0.06 115.31 119.68 1gjo h LEU 753 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gjo h LEU 753 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1gjo h LEU 753 CO 0.02 0.12 -0.01 0.58 0.09 0.00 0.00 178.44 179.24 1gjo h VAL 754 N 0.20 1.53 0.25 1.22 2.07 -0.82 -2.18 116.25 118.52 1gjo h VAL 754 Ca 0.12 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1gjo h VAL 754 Cb 0.23 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1gjo h VAL 754 CO -0.02 0.41 -0.22 -0.33 0.02 0.00 0.00 177.57 177.43 1gjo h GLU 755 N -0.66 -0.47 -0.69 1.57 5.08 -0.76 0.43 114.58 119.09 1gjo h GLU 755 Ca -0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1gjo h GLU 755 Cb 0.68 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1gjo h GLU 755 CO 0.00 -0.31 0.30 -0.44 -1.00 0.00 0.00 179.01 177.56 1gjo h ASP 756 N -0.49 0.92 0.62 1.42 3.32 -1.15 -1.90 116.42 119.16 1gjo h ASP 756 Ca -0.01 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1gjo h ASP 756 Cb 0.45 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1gjo h ASP 756 CO -0.04 0.80 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.69 1gjo h LEU 757 N 0.99 0.00 -0.16 1.55 3.38 -1.21 -2.57 115.31 117.29 1gjo h LEU 757 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1gjo h LEU 757 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1gjo h LEU 757 CO -0.03 0.53 0.09 -0.78 0.09 0.00 0.00 178.44 178.34 1gjo h ASP 758 N 0.00 0.20 0.36 -0.43 3.58 -0.13 -1.52 116.42 118.49 1gjo h ASP 758 Ca -0.01 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1gjo h ASP 758 Cb 0.98 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1gjo h ASP 758 CO 0.07 0.23 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.40 1gjo h ARG 759 N 0.16 -0.47 -0.34 0.28 2.43 -1.36 -2.66 114.38 112.42 1gjo h ARG 759 Ca 0.06 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1gjo h ARG 759 Cb 0.08 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1gjo h ARG 759 CO -0.01 -0.29 0.32 0.82 -1.51 0.00 0.00 179.97 179.30 1gjo h ILE 760 N -0.52 0.52 0.03 1.20 2.04 -1.32 -1.53 117.51 117.93 1gjo h ILE 760 Ca -0.05 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 1gjo h ILE 760 Cb 0.39 0.75 0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1gjo h ILE 760 CO 0.08 0.00 -0.82 0.25 0.00 0.00 0.00 178.15 177.66 1gjo h LEU 761 N 0.00 0.67 -0.78 1.44 5.85 -0.94 -3.30 115.31 118.25 1gjo h LEU 761 Ca 0.16 -0.79 0.02 0.00 0.84 0.00 0.00 57.88 58.11 1gjo h LEU 761 Cb 0.80 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1gjo h LEU 761 CO -0.00 1.37 0.51 0.74 -0.34 0.00 0.00 178.44 180.72 1gjo h THR 762 N 0.04 1.16 -0.14 1.05 2.02 -1.04 -2.66 112.91 113.34 1gjo h THR 762 Ca -0.11 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1gjo h THR 762 Cb 1.53 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1gjo h THR 762 CO 0.16 0.19 0.08 0.18 0.37 0.00 0.00 175.52 176.50 1gjo n LEU 763 N -4.57 3.26 0.00 2.58 4.77 -1.00 -5.14 117.00 116.90 1gjo n LEU 763 Ca 0.08 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1gjo n LEU 763 Cb 0.05 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1gjo n LEU 763 CO 0.35 0.54 0.19 0.41 -1.33 0.00 0.00 177.39 177.54