#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwl s PRO 469 N 0.00 1.07 -0.04 3.23 0.02 -1.26 -4.95 135.00 133.07 2pwl s PRO 469 Ca 0.00 1.57 -0.17 0.00 0.02 0.00 0.00 61.00 62.42 2pwl s PRO 469 Cb 0.00 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 2pwl s PRO 469 CO 0.00 -2.60 0.47 -1.21 -0.33 0.00 0.00 177.00 173.33 2pwl s GLU 470 N -4.61 4.17 -0.43 5.54 2.02 -1.26 -4.97 118.70 119.16 2pwl s GLU 470 Ca 0.67 0.50 0.04 0.00 0.02 0.00 0.00 54.97 56.20 2pwl s GLU 470 Cb -0.23 -3.32 0.17 0.00 0.10 0.00 0.00 34.13 30.84 2pwl s GLU 470 CO 0.57 0.44 0.34 0.34 0.02 0.00 0.00 175.26 176.97 2pwl s ASP 471 N -0.32 1.78 0.27 -0.19 -1.08 -1.26 -5.03 116.67 110.85 2pwl s ASP 471 Ca 0.26 -3.04 -0.03 0.00 -0.52 0.00 0.00 52.55 49.22 2pwl s ASP 471 Cb -0.17 -0.52 0.58 0.00 -1.46 0.00 0.00 42.92 41.36 2pwl s ASP 471 CO 0.13 -0.18 1.62 -0.65 0.52 0.00 0.00 175.17 176.62 2pwl h PRO 472 N 5.74 0.10 -0.52 4.34 0.11 -1.95 -1.77 132.00 138.06 2pwl h PRO 472 Ca 0.24 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.45 2pwl h PRO 472 Cb 0.90 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2pwl h PRO 472 CO 0.39 0.07 0.36 1.57 -0.21 0.00 0.00 178.00 180.17 2pwl h LYS 473 N 0.11 0.26 0.00 1.05 2.10 -2.02 -2.50 116.57 115.56 2pwl h LYS 473 Ca 0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 2pwl h LYS 473 Cb 0.94 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2pwl h LYS 473 CO -0.73 0.17 -1.58 0.91 -2.00 0.00 0.00 179.45 176.22 2pwl n TRP 474 N -4.46 0.00 -1.85 0.07 7.02 -0.74 -4.99 117.44 112.49 2pwl n TRP 474 Ca 0.08 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.18 2pwl n TRP 474 Cb 0.40 -0.30 0.03 0.00 -2.42 0.00 0.00 31.31 29.02 2pwl n TRP 474 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2pwl s GLU 475 N -3.28 3.39 -0.03 -0.99 2.56 -0.75 -1.28 118.70 118.32 2pwl s GLU 475 Ca -0.02 2.23 0.01 0.00 0.00 0.00 0.00 54.97 57.19 2pwl s GLU 475 Cb 0.14 -2.40 0.02 0.00 2.00 0.00 0.00 34.13 33.89 2pwl s GLU 475 CO 0.87 -0.99 -0.02 0.12 -0.56 0.00 0.00 175.26 174.68 2pwl s PHE 476 N -1.30 0.46 -0.15 5.30 5.36 -0.11 -4.73 117.98 122.82 2pwl s PHE 476 Ca 0.67 -0.08 -0.35 0.00 -0.96 0.00 0.00 56.93 56.22 2pwl s PHE 476 Cb -0.40 -0.46 -0.12 0.00 -0.34 0.00 0.00 43.02 41.70 2pwl s PHE 476 CO 0.49 -0.13 1.92 -2.30 -1.46 0.00 0.00 175.22 173.75 2pwl n PRO 477 N 3.90 1.91 -0.13 10.12 -0.02 -1.26 -4.44 135.00 145.08 2pwl n PRO 477 Ca -0.24 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 2pwl n PRO 477 Cb 0.52 -2.59 0.38 0.00 -0.02 0.00 0.00 33.50 31.79 2pwl n PRO 477 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pwl h ARG 478 N 9.71 0.66 0.00 -0.52 3.08 -1.97 -0.04 114.38 125.30 2pwl h ARG 478 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2pwl h ARG 478 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2pwl h ARG 478 CO 0.96 0.44 0.00 -0.40 -1.07 0.00 0.00 179.97 179.90 2pwl n ASP 479 N -4.47 0.11 -0.49 7.04 5.75 -1.26 -1.93 116.55 121.30 2pwl n ASP 479 Ca 0.09 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.52 2pwl n ASP 479 Cb 0.20 -0.55 0.22 0.00 -1.03 0.00 0.00 41.12 39.97 2pwl n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pwl n LYS 480 N -1.62 1.35 -4.50 0.11 5.02 -0.03 -4.90 118.16 113.59 2pwl n LYS 480 Ca 0.04 -0.98 -0.34 0.00 -2.02 0.00 0.00 58.31 55.00 2pwl n LYS 480 Cb 0.20 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.62 2pwl n LYS 480 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pwl s LEU 481 N -2.33 3.29 -0.25 -0.35 2.96 -0.81 -1.70 118.68 119.49 2pwl s LEU 481 Ca 0.25 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2pwl s LEU 481 Cb 0.19 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 45.20 2pwl s LEU 481 CO 0.47 0.31 0.01 -0.89 -1.32 0.00 0.00 176.35 174.93 2pwl s THR 482 N -0.48 1.17 0.39 3.68 2.01 -0.59 -4.98 115.64 116.85 2pwl s THR 482 Ca 0.08 -1.15 -0.26 0.00 0.31 0.00 0.00 61.69 60.66 2pwl s THR 482 Cb -0.12 -1.62 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 2pwl s THR 482 CO 0.02 -0.28 1.25 -0.76 -0.69 0.00 0.00 174.62 174.16 2pwl s LEU 483 N 1.53 4.26 0.00 4.42 1.43 -1.26 -1.08 118.68 127.99 2pwl s LEU 483 Ca -0.00 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2pwl s LEU 483 Cb -0.18 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.16 2pwl s LEU 483 CO -0.11 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2pwl n GLY 484 N 0.71 5.26 3.76 -3.19 0.00 0.22 -4.92 105.19 107.03 2pwl n GLY 484 Ca 0.03 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2pwl n GLY 484 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwl s LYS 485 N 3.90 4.46 0.56 1.61 2.20 -1.26 -4.58 119.74 126.63 2pwl s LYS 485 Ca 0.00 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 57.46 2pwl s LYS 485 Cb 0.00 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 2pwl s LYS 485 CO 0.00 -0.06 1.16 -1.25 -0.36 0.00 0.00 175.35 174.84 2pwl s PRO 486 N -1.34 3.23 -0.05 4.03 0.04 -1.26 -1.17 135.00 138.48 2pwl s PRO 486 Ca 0.49 1.70 0.16 0.00 0.04 0.00 0.00 61.00 63.39 2pwl s PRO 486 Cb -0.36 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 31.94 2pwl s PRO 486 CO 0.46 -0.97 0.29 1.28 0.04 0.00 0.00 177.00 178.10 2pwl n LEU 487 N -1.36 0.00 0.00 -3.56 4.77 0.97 -4.81 117.00 113.00 2pwl n LEU 487 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pwl n LEU 487 Cb 0.50 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2pwl n LEU 487 CO 0.43 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2pwl n GLY 488 N 1.69 3.87 3.79 -0.72 0.00 -1.14 -5.01 105.19 107.68 2pwl n GLY 488 Ca -0.08 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2pwl n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwl s GLU 489 N -1.79 4.09 0.00 1.61 0.41 -1.26 -2.64 118.70 119.12 2pwl s GLU 489 Ca 0.00 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 2pwl s GLU 489 Cb 0.00 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 2pwl s GLU 489 CO 0.00 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 2pwl n GLY 490 N 0.01 5.83 0.48 -1.39 0.00 0.14 -4.97 105.19 105.28 2pwl n GLY 490 Ca 0.06 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 2pwl n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwl h ALA 491 N 1.00 -1.10 0.00 4.61 0.00 -2.02 -3.34 119.26 118.41 2pwl h ALA 491 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2pwl h ALA 491 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pwl h ALA 491 CO 0.00 -1.15 -0.05 1.97 0.00 0.00 0.00 179.25 180.02 2pwl n PHE 492 N -5.37 0.00 -3.48 0.00 1.16 -1.26 -5.07 117.46 103.44 2pwl n PHE 492 Ca -0.11 -0.51 -0.04 0.00 -1.87 0.00 0.00 57.45 54.93 2pwl n PHE 492 Cb 0.43 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 2pwl n PHE 492 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2pwl n GLY 493 N -0.63 2.10 2.82 4.97 0.00 -1.26 -4.61 105.19 108.59 2pwl n GLY 493 Ca 0.04 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 2pwl n GLY 493 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwl s GLN 494 N -2.14 -0.02 -0.16 1.61 0.74 0.25 0.26 119.66 120.20 2pwl s GLN 494 Ca 0.08 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 2pwl s GLN 494 Cb -0.01 -0.13 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 2pwl s GLN 494 CO 0.06 -0.09 -0.13 0.08 -0.55 0.00 0.00 175.29 174.66 2pwl s VAL 495 N 0.56 2.93 0.06 1.34 1.01 -1.08 0.35 120.40 125.58 2pwl s VAL 495 Ca -0.05 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2pwl s VAL 495 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2pwl s VAL 495 CO -0.02 0.50 -0.17 0.68 0.00 0.00 0.00 175.10 176.10 2pwl s VAL 496 N 0.74 1.37 0.60 2.92 -7.23 0.15 -0.02 120.40 118.92 2pwl s VAL 496 Ca -0.05 -1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 58.74 2pwl s VAL 496 Cb -0.15 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 2pwl s VAL 496 CO 0.01 0.00 1.07 -0.32 -0.31 0.00 0.00 175.10 175.56 2pwl s MET 497 N -1.40 3.25 0.13 4.82 1.75 -0.32 -0.04 119.30 127.49 2pwl s MET 497 Ca 0.03 1.28 -0.25 0.00 -1.25 0.00 0.00 55.69 55.50 2pwl s MET 497 Cb -0.09 -2.02 0.07 0.00 2.84 0.00 0.00 34.83 35.63 2pwl s MET 497 CO 0.02 -0.88 0.86 0.00 -0.65 0.00 0.00 175.02 174.38 2pwl s ALA 498 N -2.35 -1.63 -0.20 4.11 0.00 -0.62 0.69 121.76 121.76 2pwl s ALA 498 Ca 0.65 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 2pwl s ALA 498 Cb -0.17 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2pwl s ALA 498 CO 0.36 -0.92 -0.08 -1.21 0.00 0.00 0.00 175.76 173.91 2pwl s GLU 499 N -3.39 3.33 -0.33 0.00 8.01 -0.24 -0.55 118.70 125.53 2pwl s GLU 499 Ca 0.09 -0.66 -0.05 0.00 0.01 0.00 0.00 54.97 54.36 2pwl s GLU 499 Cb -0.02 -2.88 0.04 0.00 -4.31 0.00 0.00 34.13 26.97 2pwl s GLU 499 CO -0.02 -0.12 0.07 0.00 0.01 0.00 0.00 175.26 175.20 2pwl s ALA 500 N 1.24 2.98 -0.31 5.21 0.00 0.01 -1.54 121.76 129.35 2pwl s ALA 500 Ca 0.03 -1.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.93 2pwl s ALA 500 Cb -0.14 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.82 2pwl s ALA 500 CO -0.03 -1.33 1.05 0.14 0.00 0.00 0.00 175.76 175.58 2pwl s VAL 501 N 1.35 4.55 0.00 0.00 -7.23 -0.69 -1.31 120.40 117.07 2pwl s VAL 501 Ca -0.03 1.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 2pwl s VAL 501 Cb -0.20 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.36 2pwl s VAL 501 CO 0.01 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 2pwl n GLY 502 N 3.87 0.57 0.30 2.32 0.00 0.30 -4.92 105.19 107.63 2pwl n GLY 502 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 2pwl n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pwl h ILE 503 N 0.00 1.20 -2.54 -0.61 6.09 -1.78 -3.27 117.51 116.60 2pwl h ILE 503 Ca 0.00 -0.65 -0.66 0.00 -1.37 0.00 0.00 64.86 62.17 2pwl h ILE 503 Cb 0.00 0.64 -0.16 0.00 0.47 0.00 0.00 36.82 37.77 2pwl h ILE 503 CO 0.00 0.25 0.65 -1.81 -3.07 0.00 0.00 178.15 174.17 2pwl s ASP 504 N -6.61 6.38 0.00 2.19 1.11 -1.26 -4.87 116.67 113.61 2pwl s ASP 504 Ca -0.09 -1.50 0.00 0.00 0.18 0.00 0.00 52.55 51.13 2pwl s ASP 504 Cb 0.16 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.75 2pwl s ASP 504 CO 0.78 -1.25 0.30 0.29 1.18 0.00 0.00 175.17 176.47 2pwl n LYS 505 N 7.10 0.00 0.06 8.23 5.02 -1.24 -0.37 118.16 136.96 2pwl n LYS 505 Ca 0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 2pwl n LYS 505 Cb 0.47 -1.33 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 2pwl n LYS 505 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2pwl h ASP 506 N 0.00 0.54 -2.50 4.39 3.45 -1.89 -3.37 116.42 117.04 2pwl h ASP 506 Ca 0.00 -0.91 -0.63 0.00 0.43 0.00 0.00 57.03 55.92 2pwl h ASP 506 Cb 0.00 -0.18 -0.40 0.00 -0.56 0.00 0.00 39.33 38.19 2pwl h ASP 506 CO 0.00 1.65 -0.41 2.29 -1.57 0.00 0.00 179.24 181.20 2pwl n LYS 507 N -3.83 2.62 0.24 3.56 2.85 0.50 -4.95 118.16 119.15 2pwl n LYS 507 Ca -0.22 -4.62 0.14 0.00 -1.05 0.00 0.00 58.31 52.56 2pwl n LYS 507 Cb 0.97 -2.30 0.58 0.00 -0.65 0.00 0.00 35.03 33.63 2pwl n LYS 507 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 2pwl h PRO 508 N 4.63 0.00 -0.02 -1.58 0.11 -1.73 0.20 132.00 133.61 2pwl h PRO 508 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pwl h PRO 508 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2pwl h PRO 508 CO 0.87 0.00 -0.09 1.63 -0.21 0.00 0.00 178.00 180.20 2pwl n LYS 509 N -2.99 1.28 -2.69 1.05 4.01 -1.26 -3.38 118.16 114.19 2pwl n LYS 509 Ca 0.03 -1.18 -0.42 0.00 -0.51 0.00 0.00 58.31 56.23 2pwl n LYS 509 Cb 0.68 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.90 2pwl n LYS 509 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2pwl s GLU 510 N -1.37 4.61 -0.50 1.97 -1.05 0.71 -4.69 118.70 118.37 2pwl s GLU 510 Ca 0.15 1.47 -0.22 0.00 -0.15 0.00 0.00 54.97 56.23 2pwl s GLU 510 Cb 0.12 -3.41 0.04 0.00 -0.44 0.00 0.00 34.13 30.44 2pwl s GLU 510 CO 0.23 0.05 0.76 0.00 0.95 0.00 0.00 175.26 177.26 2pwl s ALA 511 N 0.54 3.29 -0.13 -0.84 0.00 -1.26 -0.54 121.76 122.82 2pwl s ALA 511 Ca 0.50 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 2pwl s ALA 511 Cb -0.23 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2pwl s ALA 511 CO 0.29 -2.08 0.31 0.08 0.00 0.00 0.00 175.76 174.36 2pwl s VAL 512 N 3.23 5.27 0.09 0.00 1.01 -0.43 -4.84 120.40 124.73 2pwl s VAL 512 Ca 0.24 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 2pwl s VAL 512 Cb -0.15 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2pwl s VAL 512 CO 0.18 0.44 1.17 -0.89 0.00 0.00 0.00 175.10 176.00 2pwl s THR 513 N 0.06 4.00 0.32 3.92 2.01 -1.26 -0.81 115.64 123.88 2pwl s THR 513 Ca 0.18 1.51 0.06 0.00 0.31 0.00 0.00 61.69 63.75 2pwl s THR 513 Cb -0.14 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2pwl s THR 513 CO 0.06 0.16 0.26 0.68 -0.69 0.00 0.00 174.62 175.08 2pwl s VAL 514 N 0.70 0.02 -0.04 3.82 -7.23 0.29 -4.39 120.40 113.57 2pwl s VAL 514 Ca 0.56 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 2pwl s VAL 514 Cb -0.29 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2pwl s VAL 514 CO 0.31 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.94 2pwl s ALA 515 N -3.50 2.59 -0.10 1.32 0.00 -0.06 -1.59 121.76 120.40 2pwl s ALA 515 Ca 0.40 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2pwl s ALA 515 Cb 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.26 2pwl s ALA 515 CO 0.26 0.55 -0.14 0.08 0.00 0.00 0.00 175.76 176.51 2pwl s VAL 516 N -0.71 1.39 -0.14 0.00 1.01 0.95 -0.51 120.40 122.39 2pwl s VAL 516 Ca 0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2pwl s VAL 516 Cb -0.11 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2pwl s VAL 516 CO 0.00 0.42 0.05 -0.75 0.00 0.00 0.00 175.10 174.82 2pwl s LYS 517 N 1.05 3.54 0.29 2.72 2.20 -0.13 0.32 119.74 129.74 2pwl s LYS 517 Ca -0.06 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2pwl s LYS 517 Cb -0.15 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2pwl s LYS 517 CO -0.02 0.49 0.41 0.00 -0.36 0.00 0.00 175.35 175.87 2pwl s MET 518 N -0.26 1.68 0.68 4.03 0.23 0.16 -1.09 119.30 124.72 2pwl s MET 518 Ca 0.08 -1.60 -0.13 0.00 -1.03 0.00 0.00 55.69 53.00 2pwl s MET 518 Cb -0.12 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.60 2pwl s MET 518 CO 0.02 -0.67 1.08 -0.51 -2.03 0.00 0.00 175.02 172.90 2pwl s LEU 519 N -3.17 3.26 0.46 0.18 1.43 -1.26 0.85 118.68 120.43 2pwl s LEU 519 Ca 0.30 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 2pwl s LEU 519 Cb 0.01 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 2pwl s LEU 519 CO 0.16 -1.55 0.70 -0.54 0.23 0.00 0.00 176.35 175.35 2pwl s LYS 520 N -4.54 3.21 0.56 1.70 1.02 -1.26 -4.59 119.74 115.85 2pwl s LYS 520 Ca 0.62 -0.26 0.27 0.00 0.02 0.00 0.00 55.97 56.62 2pwl s LYS 520 Cb -0.17 -2.50 1.65 0.00 -0.52 0.00 0.00 37.83 36.29 2pwl s LYS 520 CO 0.47 -0.24 2.20 0.22 -0.92 0.00 0.00 175.35 177.08 2pwl h ASP 521 N 0.35 0.00 -0.81 2.83 -0.00 -2.00 -1.69 116.42 115.11 2pwl h ASP 521 Ca -0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 56.19 2pwl h ASP 521 Cb 1.24 0.00 -0.22 0.00 -0.00 0.00 0.00 39.33 40.35 2pwl h ASP 521 CO 0.59 0.03 0.42 -0.90 -0.00 0.00 0.00 179.24 179.38 2pwl n ASP 522 N -3.91 3.85 -4.74 2.28 3.85 -1.26 -5.02 116.55 111.60 2pwl n ASP 522 Ca -0.03 -3.52 -0.36 0.00 -0.71 0.00 0.00 54.79 50.18 2pwl n ASP 522 Cb 0.12 -0.77 0.05 0.00 -1.35 0.00 0.00 41.12 39.17 2pwl n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pwl s ALA 523 N -3.20 2.41 0.41 2.12 0.00 -0.64 -5.05 121.76 117.81 2pwl s ALA 523 Ca 0.54 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.58 2pwl s ALA 523 Cb 0.45 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2pwl s ALA 523 CO 0.10 -1.42 0.34 0.95 0.00 0.00 0.00 175.76 175.73 2pwl s THR 524 N -1.68 2.67 0.22 0.00 -4.23 -1.26 -5.00 115.64 106.37 2pwl s THR 524 Ca 0.77 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 2pwl s THR 524 Cb -0.31 -3.01 0.17 0.00 1.34 0.00 0.00 72.50 70.69 2pwl s THR 524 CO 0.38 -0.02 1.86 -0.08 -0.54 0.00 0.00 174.62 176.22 2pwl h GLU 525 N 1.11 0.90 -0.78 3.99 4.81 -2.01 -2.05 114.58 120.56 2pwl h GLU 525 Ca -0.42 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2pwl h GLU 525 Cb 1.26 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2pwl h GLU 525 CO 0.59 0.60 0.51 -0.22 -0.73 0.00 0.00 179.01 179.77 2pwl h LYS 526 N 0.93 0.97 -0.54 1.92 1.63 -1.99 -2.05 116.57 117.45 2pwl h LYS 526 Ca 0.31 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2pwl h LYS 526 Cb 0.03 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 2pwl h LYS 526 CO -0.12 0.64 0.33 -0.44 -3.45 0.00 0.00 179.45 176.42 2pwl h ASP 527 N 1.00 0.65 0.01 4.20 3.32 -1.70 -0.99 116.42 122.92 2pwl h ASP 527 Ca 0.30 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2pwl h ASP 527 Cb -0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2pwl h ASP 527 CO -0.08 0.51 -0.01 0.25 -1.72 0.00 0.00 179.24 178.20 2pwl h LEU 528 N 0.73 -0.01 -1.72 1.55 5.85 -1.16 -0.83 115.31 119.71 2pwl h LEU 528 Ca 0.19 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2pwl h LEU 528 Cb -0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2pwl h LEU 528 CO -0.04 -0.00 -0.10 0.77 -0.34 0.00 0.00 178.44 178.73 2pwl h SER 529 N -0.03 0.00 0.12 1.25 4.64 -1.29 -0.82 113.55 117.43 2pwl h SER 529 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2pwl h SER 529 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2pwl h SER 529 CO 0.00 0.10 -0.75 0.44 -0.87 0.00 0.00 176.83 175.75 2pwl h ASP 530 N 0.00 0.64 -0.12 4.97 3.32 -0.55 -1.44 116.42 123.24 2pwl h ASP 530 Ca -0.00 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 2pwl h ASP 530 Cb 0.45 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.81 2pwl h ASP 530 CO 0.01 1.18 -0.60 0.25 -1.72 0.00 0.00 179.24 178.37 2pwl h LEU 531 N 0.36 0.73 -0.43 1.55 5.85 -0.48 -1.10 115.31 121.80 2pwl h LEU 531 Ca -0.04 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.07 2pwl h LEU 531 Cb 1.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2pwl h LEU 531 CO 0.14 1.25 0.24 0.58 -0.34 0.00 0.00 178.44 180.31 2pwl h VAL 532 N 0.26 1.02 -0.87 1.05 2.07 -1.20 -0.61 116.25 117.97 2pwl h VAL 532 Ca -0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pwl h VAL 532 Cb 1.24 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2pwl h VAL 532 CO 0.12 0.09 0.45 -1.28 0.02 0.00 0.00 177.57 176.97 2pwl h SER 533 N 0.48 1.11 -0.55 0.57 0.87 -1.19 -0.37 113.55 114.46 2pwl h SER 533 Ca 0.17 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2pwl h SER 533 Cb 0.04 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 2pwl h SER 533 CO -0.10 0.91 0.08 -0.08 -0.53 0.00 0.00 176.83 177.11 2pwl h GLU 534 N 1.22 0.96 -0.18 2.24 4.81 -0.66 -0.54 114.58 122.44 2pwl h GLU 534 Ca 0.30 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2pwl h GLU 534 Cb 0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2pwl h GLU 534 CO -0.04 0.90 0.06 1.98 -0.73 0.00 0.00 179.01 181.18 2pwl h MET 535 N 0.91 0.27 -0.73 1.92 4.05 -0.57 -1.57 114.93 119.22 2pwl h MET 535 Ca 0.18 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 2pwl h MET 535 Cb 0.42 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2pwl h MET 535 CO 0.01 0.37 0.29 0.93 0.23 0.00 0.00 176.91 178.75 2pwl h GLU 536 N 0.11 1.07 -0.47 0.39 4.39 -0.88 -1.66 114.58 117.53 2pwl h GLU 536 Ca 0.06 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2pwl h GLU 536 Cb 0.21 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2pwl h GLU 536 CO -0.00 0.86 0.21 1.98 -1.16 0.00 0.00 179.01 180.91 2pwl h MET 537 N 1.05 0.68 -0.06 2.33 4.05 -0.87 -2.25 114.93 119.87 2pwl h MET 537 Ca 0.24 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2pwl h MET 537 Cb 0.19 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 2pwl h MET 537 CO -0.02 0.59 -0.17 0.52 0.23 0.00 0.00 176.91 178.05 2pwl h MET 538 N 0.61 0.09 -0.70 0.39 2.86 -0.93 -2.37 114.93 114.88 2pwl h MET 538 Ca 0.16 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2pwl h MET 538 Cb 0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2pwl h MET 538 CO -0.02 0.27 0.18 0.87 1.06 0.00 0.00 176.91 179.27 2pwl h LYS 539 N 0.09 1.12 0.00 1.72 1.57 -0.72 -3.18 116.57 117.16 2pwl h LYS 539 Ca 0.02 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 2pwl h LYS 539 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2pwl h LYS 539 CO 0.02 0.98 -0.38 0.52 -0.57 0.00 0.00 179.45 180.02 2pwl h MET 540 N 1.06 0.00 -0.16 3.15 2.86 -1.12 -3.36 114.93 117.36 2pwl h MET 540 Ca 0.22 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2pwl h MET 540 Cb 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2pwl h MET 540 CO 0.00 0.29 -0.03 0.82 1.06 0.00 0.00 176.91 179.04 2pwl h ILE 541 N 0.00 1.28 0.00 -1.22 2.04 -1.41 -3.50 117.51 114.70 2pwl h ILE 541 Ca -0.01 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2pwl h ILE 541 Cb 1.24 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2pwl h ILE 541 CO 0.04 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.09 2pwl n GLY 542 N -0.15 -1.02 3.54 5.37 0.00 -1.25 -4.98 105.19 106.71 2pwl n GLY 542 Ca -0.05 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2pwl n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwl s LYS 543 N 0.00 3.78 -0.14 1.61 2.20 -1.26 -4.86 119.74 121.06 2pwl s LYS 543 Ca 0.00 -0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 55.01 2pwl s LYS 543 Cb 0.00 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2pwl s LYS 543 CO 0.00 0.17 0.43 -1.58 -0.36 0.00 0.00 175.35 174.00 2pwl s HIS 544 N 0.62 -0.44 0.28 4.03 2.46 -1.26 -5.06 115.29 115.92 2pwl s HIS 544 Ca 0.01 1.04 0.02 0.00 0.47 0.00 0.00 55.06 56.60 2pwl s HIS 544 Cb -0.14 0.16 0.69 0.00 -0.13 0.00 0.00 32.58 33.16 2pwl s HIS 544 CO 0.02 -0.26 1.69 -0.22 -2.47 0.00 0.00 174.74 173.50 2pwl h LYS 545 N 5.17 0.37 -0.87 2.88 3.64 -1.98 -2.52 116.57 123.25 2pwl h LYS 545 Ca -0.27 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 58.58 2pwl h LYS 545 Cb 1.18 -0.08 -0.27 0.00 -0.41 0.00 0.00 32.23 32.64 2pwl h LYS 545 CO 0.26 0.24 0.50 0.09 -2.27 0.00 0.00 179.45 178.27 2pwl n ASN 546 N -5.06 4.64 -3.75 4.20 4.13 -1.26 -4.79 115.26 113.37 2pwl n ASN 546 Ca 0.21 -3.70 -0.17 0.00 1.68 0.00 0.00 54.58 52.59 2pwl n ASN 546 Cb 0.63 -0.81 -0.17 0.00 -1.54 0.00 0.00 39.78 37.89 2pwl n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pwl s ILE 547 N -3.78 0.00 0.23 2.41 1.01 -0.95 -1.53 121.20 118.59 2pwl s ILE 547 Ca 0.57 0.25 -0.31 0.00 0.00 0.00 0.00 60.65 61.15 2pwl s ILE 547 Cb 0.47 -0.17 -0.14 0.00 0.01 0.00 0.00 42.46 42.63 2pwl s ILE 547 CO 0.05 0.14 1.40 0.00 0.00 0.00 0.00 174.94 176.53 2pwl n ILE 548 N 4.57 0.91 -4.11 2.92 0.13 -0.15 -4.59 119.36 119.04 2pwl n ILE 548 Ca -0.19 -0.23 -0.35 0.00 -1.10 0.00 0.00 62.75 60.88 2pwl n ILE 548 Cb 0.50 -1.43 -0.09 0.00 -0.84 0.00 0.00 39.64 37.79 2pwl n ILE 548 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 2pwl s HIS 549 N -0.03 3.32 -0.03 9.51 5.65 -1.26 -4.97 115.29 127.48 2pwl s HIS 549 Ca 0.69 0.25 -0.30 0.00 0.25 0.00 0.00 55.06 55.95 2pwl s HIS 549 Cb -0.67 -1.93 -0.04 0.00 -1.18 0.00 0.00 32.58 28.77 2pwl s HIS 549 CO 0.49 0.44 1.16 -1.17 -0.65 0.00 0.00 174.74 175.02 2pwl s LEU 550 N -0.51 4.31 -0.24 8.88 2.96 -1.26 -1.27 118.68 131.55 2pwl s LEU 550 Ca 0.10 1.83 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 2pwl s LEU 550 Cb -0.12 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.82 2pwl s LEU 550 CO 0.02 -0.52 -0.14 0.18 -1.32 0.00 0.00 176.35 174.57 2pwl n LEU 551 N 4.77 2.31 0.00 -0.68 4.77 -0.28 -4.92 117.00 122.96 2pwl n LEU 551 Ca 0.10 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pwl n LEU 551 Cb 0.47 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2pwl n LEU 551 CO 0.55 0.84 0.03 0.61 -1.33 0.00 0.00 177.39 178.09 2pwl n GLY 552 N 2.14 0.58 3.61 -0.72 0.00 -0.75 -5.02 105.19 105.03 2pwl n GLY 552 Ca -0.43 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 2pwl n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwl s ALA 553 N -1.03 -1.97 -0.48 4.61 0.00 -0.40 -1.36 121.76 121.14 2pwl s ALA 553 Ca 0.01 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 2pwl s ALA 553 Cb -0.00 -1.13 0.12 0.00 0.00 0.00 0.00 23.12 22.11 2pwl s ALA 553 CO -0.00 -0.26 0.34 0.00 0.00 0.00 0.00 175.76 175.84 2pwl n THR 555 N 4.81 0.00 -4.29 0.00 -2.24 -1.26 -1.65 114.28 109.65 2pwl n THR 555 Ca -0.06 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 2pwl n THR 555 Cb 0.41 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 2pwl n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwl s GLN 556 N -1.48 2.84 -0.72 -0.78 -1.52 -1.26 -4.78 119.66 111.95 2pwl s GLN 556 Ca 0.04 -0.57 -0.09 0.00 -1.95 0.00 0.00 55.36 52.79 2pwl s GLN 556 Cb 0.06 -2.70 0.01 0.00 -0.22 0.00 0.00 33.01 30.16 2pwl s GLN 556 CO 0.26 0.64 0.60 -0.25 -0.25 0.00 0.00 175.29 176.29 2pwl n ASP 557 N 1.50 -4.81 0.00 5.90 8.00 -1.26 -4.86 116.55 121.02 2pwl n ASP 557 Ca -0.15 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2pwl n ASP 557 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2pwl n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwl n GLY 558 N -1.29 0.13 3.75 0.44 0.00 -1.26 -5.11 105.19 101.85 2pwl n GLY 558 Ca -0.27 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 2pwl n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwl s PRO 559 N -1.38 2.80 -0.13 1.61 0.04 -1.26 -4.92 135.00 131.76 2pwl s PRO 559 Ca 0.00 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2pwl s PRO 559 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2pwl s PRO 559 CO 0.00 -1.34 1.15 -1.17 0.04 0.00 0.00 177.00 175.68 2pwl s LEU 560 N -4.30 4.21 -0.17 -3.56 2.96 -1.26 -4.70 118.68 111.87 2pwl s LEU 560 Ca 0.77 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 56.33 2pwl s LEU 560 Cb -0.30 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.86 2pwl s LEU 560 CO 0.36 -0.62 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.27 2pwl s TYR 561 N 2.69 2.59 -0.37 5.38 2.02 -0.66 -4.43 117.35 124.58 2pwl s TYR 561 Ca 0.52 -1.49 -0.12 0.00 -0.37 0.00 0.00 57.07 55.61 2pwl s TYR 561 Cb -0.21 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2pwl s TYR 561 CO 0.16 -0.74 0.23 0.08 -1.57 0.00 0.00 175.55 173.71 2pwl s VAL 562 N 1.27 4.84 -0.33 0.71 1.01 -0.25 -1.40 120.40 126.26 2pwl s VAL 562 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2pwl s VAL 562 Cb -0.13 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2pwl s VAL 562 CO -0.11 -0.20 0.46 -0.63 0.00 0.00 0.00 175.10 174.62 2pwl s ILE 563 N 1.61 5.08 0.31 2.22 1.01 -0.46 -0.96 121.20 130.01 2pwl s ILE 563 Ca 0.04 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.10 2pwl s ILE 563 Cb -0.19 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 2pwl s ILE 563 CO 0.08 -0.11 -0.02 0.68 0.00 0.00 0.00 174.94 175.57 2pwl s VAL 564 N 2.26 1.61 0.22 2.92 -7.23 0.33 -1.13 120.40 119.38 2pwl s VAL 564 Ca 0.17 -2.08 -0.32 0.00 -1.81 0.00 0.00 61.98 57.94 2pwl s VAL 564 Cb -0.16 -2.62 -0.13 0.00 0.56 0.00 0.00 36.38 34.03 2pwl s VAL 564 CO 0.12 -0.18 1.50 1.21 -0.31 0.00 0.00 175.10 177.45 2pwl n GLU 565 N -0.67 2.20 -2.85 4.82 2.13 -0.40 -0.88 120.64 124.99 2pwl n GLU 565 Ca -0.05 0.79 -0.41 0.00 0.66 0.00 0.00 57.16 58.15 2pwl n GLU 565 Cb 0.65 -2.51 -0.04 0.00 0.27 0.00 0.00 31.44 29.81 2pwl n GLU 565 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pwl s TYR 566 N 0.31 3.69 -0.39 4.31 5.04 -1.26 -4.52 117.35 124.53 2pwl s TYR 566 Ca 0.71 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.91 2pwl s TYR 566 Cb -0.63 -2.97 0.11 0.00 0.35 0.00 0.00 41.96 38.82 2pwl s TYR 566 CO 0.45 0.12 0.14 0.00 -1.34 0.00 0.00 175.55 174.91 2pwl s ALA 567 N 0.54 3.05 0.67 3.97 0.00 -1.26 -4.89 121.76 123.83 2pwl s ALA 567 Ca 0.45 -2.60 0.43 0.00 0.00 0.00 0.00 51.96 50.24 2pwl s ALA 567 Cb -0.21 -2.19 2.34 0.00 0.00 0.00 0.00 23.12 23.06 2pwl s ALA 567 CO 0.25 -1.77 2.32 0.66 0.00 0.00 0.00 175.76 177.23 2pwl h SER 568 N 7.73 0.00 -0.63 0.00 4.64 -1.87 -3.00 113.55 120.42 2pwl h SER 568 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2pwl h SER 568 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2pwl h SER 568 CO 0.61 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 2pwl n LYS 569 N -3.08 3.45 0.00 4.77 5.02 -0.36 -4.94 118.16 123.01 2pwl n LYS 569 Ca -0.03 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 2pwl n LYS 569 Cb 0.11 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 2pwl n LYS 569 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwl n GLY 570 N 1.13 -0.62 3.82 0.72 0.00 -1.13 -4.57 105.19 104.54 2pwl n GLY 570 Ca 0.24 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2pwl n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwl s ASN 571 N -4.00 6.68 0.39 1.61 2.20 -1.26 -0.95 114.94 119.62 2pwl s ASN 571 Ca 0.00 1.72 0.12 0.00 -0.94 0.00 0.00 52.86 53.76 2pwl s ASN 571 Cb 0.00 -2.54 0.93 0.00 -2.00 0.00 0.00 41.25 37.64 2pwl s ASN 571 CO 0.00 -0.54 1.91 0.25 -2.94 0.00 0.00 177.10 175.78 2pwl h LEU 572 N 1.53 0.52 0.53 3.54 5.85 -0.06 -0.68 115.31 126.54 2pwl h LEU 572 Ca -0.48 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2pwl h LEU 572 Cb 1.19 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.15 2pwl h LEU 572 CO 0.60 0.28 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.64 2pwl h ARG 573 N 0.56 -0.69 -0.94 1.25 2.43 -1.81 0.48 114.38 115.65 2pwl h ARG 573 Ca 0.39 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.62 2pwl h ARG 573 Cb 0.72 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 2pwl h ARG 573 CO -0.15 -0.41 0.63 0.93 -1.51 0.00 0.00 179.97 179.45 2pwl h GLU 574 N -0.83 1.23 -0.11 0.20 5.08 -1.82 -1.13 114.58 117.20 2pwl h GLU 574 Ca -0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2pwl h GLU 574 Cb 0.59 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2pwl h GLU 574 CO 0.12 0.81 0.03 -0.92 -1.00 0.00 0.00 179.01 178.05 2pwl h TYR 575 N 1.27 0.05 -0.20 4.33 3.20 -0.90 -1.68 116.97 123.02 2pwl h TYR 575 Ca 0.35 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2pwl h TYR 575 Cb -0.12 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2pwl h TYR 575 CO -0.00 0.02 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.31 2pwl h LEU 576 N 0.08 0.49 -1.56 2.82 3.38 -0.57 -2.95 115.31 117.00 2pwl h LEU 576 Ca 0.05 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2pwl h LEU 576 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2pwl h LEU 576 CO -0.06 0.84 0.18 0.03 0.09 0.00 0.00 178.44 179.52 2pwl h ARG 577 N 0.15 0.47 0.00 1.13 3.08 -1.03 -0.41 114.38 117.78 2pwl h ARG 577 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pwl h ARG 577 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2pwl h ARG 577 CO 0.04 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 2pwl n ALA 578 N -2.48 2.04 -0.48 0.04 0.00 -0.64 -2.87 120.51 116.12 2pwl n ALA 578 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2pwl n ALA 578 Cb 0.10 -1.40 0.24 0.00 0.00 0.00 0.00 19.45 18.39 2pwl n ALA 578 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pwl n ARG 579 N -1.80 3.07 -2.19 0.00 5.12 -0.19 -4.86 116.66 115.83 2pwl n ARG 579 Ca 0.05 -2.47 -0.36 0.00 -1.93 0.00 0.00 57.85 53.13 2pwl n ARG 579 Cb 0.30 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 30.04 2pwl n ARG 579 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2pwl s ARG 580 N -1.61 3.40 0.41 5.56 0.52 -1.06 -3.70 118.95 122.46 2pwl s ARG 580 Ca 0.36 1.74 -0.27 0.00 -0.52 0.00 0.00 55.73 57.04 2pwl s ARG 580 Cb 0.23 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.47 2pwl s ARG 580 CO 0.18 -0.84 1.47 -2.30 0.02 0.00 0.00 175.30 173.83 2pwl n PRO 581 N -1.08 2.51 0.04 3.54 -0.02 -1.26 -4.82 135.00 133.91 2pwl n PRO 581 Ca 0.11 0.89 0.02 0.00 -2.02 0.00 0.00 63.50 62.50 2pwl n PRO 581 Cb 0.49 -2.67 0.13 0.00 -0.02 0.00 0.00 33.50 31.43 2pwl n PRO 581 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pwl n PRO 582 N 0.15 0.03 0.04 0.52 -0.02 -1.26 -5.20 135.00 129.25 2pwl n PRO 582 Ca 0.03 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 2pwl n PRO 582 Cb 0.40 -1.71 0.28 0.00 -0.02 0.00 0.00 33.50 32.45 2pwl n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwl n GLY 583 N -1.38 -0.88 1.53 -1.23 0.00 -1.26 -5.31 105.19 96.66 2pwl n GLY 583 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2pwl n GLY 583 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pwl n GLU 596 N -1.70 0.00 -1.66 1.61 -0.00 -1.26 -5.26 120.64 112.37 2pwl n GLU 596 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.80 2pwl n GLU 596 Cb 0.11 -0.51 0.06 0.00 -0.00 0.00 0.00 31.44 31.10 2pwl n GLU 596 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2pwl n GLN 597 N 2.22 1.04 -2.76 3.44 6.02 -1.26 -4.82 117.38 121.26 2pwl n GLN 597 Ca 0.00 0.40 -0.41 0.00 -0.01 0.00 0.00 57.00 56.98 2pwl n GLN 597 Cb 0.24 -2.30 -0.04 0.00 1.02 0.00 0.00 30.24 29.16 2pwl n GLN 597 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2pwl s MET 598 N -2.91 4.59 0.64 -1.09 -1.94 -1.24 -5.05 119.30 112.29 2pwl s MET 598 Ca 0.77 1.36 -0.06 0.00 -1.71 0.00 0.00 55.69 56.05 2pwl s MET 598 Cb -0.41 -3.43 0.03 0.00 2.01 0.00 0.00 34.83 33.03 2pwl s MET 598 CO 0.46 0.06 0.95 0.95 -0.01 0.00 0.00 175.02 177.42 2pwl s THR 599 N 0.62 3.07 0.20 2.05 -4.23 -1.26 -4.96 115.64 111.14 2pwl s THR 599 Ca 0.48 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2pwl s THR 599 Cb -0.21 -3.26 0.13 0.00 1.34 0.00 0.00 72.50 70.50 2pwl s THR 599 CO 0.27 -0.27 1.79 0.15 -0.54 0.00 0.00 174.62 176.02 2pwl h PHE 600 N -0.35 1.05 -0.36 3.99 3.57 -1.96 -2.19 116.94 120.69 2pwl h PHE 600 Ca -0.45 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 2pwl h PHE 600 Cb 1.28 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2pwl h PHE 600 CO 0.41 0.78 0.05 -0.22 -2.23 0.00 0.00 178.31 177.10 2pwl h LYS 601 N 1.02 0.54 -0.40 1.11 3.64 -1.99 -1.76 116.57 118.74 2pwl h LYS 601 Ca 0.25 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2pwl h LYS 601 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2pwl h LYS 601 CO -0.03 0.53 0.08 -0.44 -2.27 0.00 0.00 179.45 177.32 2pwl h ASP 602 N 0.53 0.56 -0.27 4.20 3.32 -1.78 0.24 116.42 123.22 2pwl h ASP 602 Ca 0.12 -0.09 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 2pwl h ASP 602 Cb 0.27 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2pwl h ASP 602 CO 0.00 0.58 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.51 2pwl h LEU 603 N 0.59 0.92 -0.42 1.55 3.38 -0.99 -1.13 115.31 119.21 2pwl h LEU 603 Ca 0.13 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 2pwl h LEU 603 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pwl h LEU 603 CO -0.00 1.29 -0.14 0.58 0.09 0.00 0.00 178.44 180.26 2pwl h VAL 604 N 0.60 1.28 -0.51 1.22 2.07 -0.98 -2.18 116.25 117.74 2pwl h VAL 604 Ca 0.01 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.28 2pwl h VAL 604 Cb 1.13 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2pwl h VAL 604 CO 0.12 0.43 0.33 -1.28 0.02 0.00 0.00 177.57 177.18 2pwl h SER 605 N 0.66 0.55 -0.24 0.57 0.87 -0.48 0.90 113.55 116.39 2pwl h SER 605 Ca 0.10 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2pwl h SER 605 Cb 0.69 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 2pwl h SER 605 CO 0.05 0.40 0.05 0.00 -0.53 0.00 0.00 176.83 176.79 2pwl h THR 607 N 0.14 1.21 -0.61 0.00 2.02 -0.99 -2.42 112.91 112.26 2pwl h THR 607 Ca 0.11 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 2pwl h THR 607 Cb 0.11 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2pwl h THR 607 CO -0.15 0.23 0.37 0.22 0.37 0.00 0.00 175.52 176.57 2pwl h TYR 608 N 0.83 0.79 -0.57 3.16 3.20 -0.40 -1.38 116.97 122.60 2pwl h TYR 608 Ca 0.21 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2pwl h TYR 608 Cb 0.09 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 2pwl h TYR 608 CO -0.00 0.53 0.13 1.96 -1.64 0.00 0.00 178.16 179.14 2pwl h GLN 609 N 0.82 0.88 0.00 1.82 4.20 -0.81 -1.86 115.11 120.15 2pwl h GLN 609 Ca 0.22 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 2pwl h GLN 609 Cb -0.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2pwl h GLN 609 CO -0.04 0.79 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.12 2pwl h LEU 610 N 0.84 0.00 -0.43 1.46 3.38 -1.15 -1.92 115.31 117.49 2pwl h LEU 610 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2pwl h LEU 610 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2pwl h LEU 610 CO -0.00 0.71 -0.04 0.00 0.09 0.00 0.00 178.44 179.21 2pwl h ALA 611 N 1.29 0.58 -0.57 1.53 0.00 -0.88 -1.16 119.26 120.05 2pwl h ALA 611 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2pwl h ALA 611 Cb 1.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2pwl h ALA 611 CO 0.09 0.41 0.30 0.00 0.00 0.00 0.00 179.25 180.05 2pwl h ARG 612 N 0.62 0.80 -0.67 0.00 2.47 -1.20 0.18 114.38 116.58 2pwl h ARG 612 Ca 0.12 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2pwl h ARG 612 Cb 0.55 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 2pwl h ARG 612 CO 0.03 0.63 0.42 0.78 0.56 0.00 0.00 179.97 182.39 2pwl h GLY 613 N 0.77 0.95 1.50 0.04 0.00 -1.11 -0.94 103.07 104.27 2pwl h GLY 613 Ca 0.20 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2pwl h GLY 613 CO -0.03 0.37 -0.41 -0.33 0.00 0.00 0.00 176.54 176.14 2pwl h MET 614 N 0.90 0.56 -0.74 4.80 2.86 -0.81 -0.08 114.93 122.43 2pwl h MET 614 Ca 0.24 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2pwl h MET 614 Cb -0.07 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2pwl h MET 614 CO -0.05 0.87 0.34 1.49 1.06 0.00 0.00 176.91 180.62 2pwl h GLU 615 N 0.46 1.07 -0.29 1.72 4.81 -0.24 0.13 114.58 122.23 2pwl h GLU 615 Ca 0.04 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2pwl h GLU 615 Cb 0.90 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2pwl h GLU 615 CO 0.08 0.84 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.27 2pwl h TYR 616 N 1.04 0.57 -0.33 0.92 5.03 -0.87 -2.18 116.97 121.15 2pwl h TYR 616 Ca 0.25 -0.10 0.03 0.00 2.58 0.00 0.00 58.73 61.49 2pwl h TYR 616 Cb 0.13 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 2pwl h TYR 616 CO 0.01 0.67 0.12 1.25 -1.32 0.00 0.00 178.16 178.89 2pwl h LEU 617 N 0.31 0.15 -1.39 2.82 5.85 -0.53 -1.57 115.31 120.95 2pwl h LEU 617 Ca 0.08 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2pwl h LEU 617 Cb 0.45 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2pwl h LEU 617 CO 0.02 0.12 0.21 0.00 -0.34 0.00 0.00 178.44 178.45 2pwl h ALA 618 N 1.20 1.53 0.00 1.25 0.00 -0.70 -0.43 119.26 122.10 2pwl h ALA 618 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pwl h ALA 618 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pwl h ALA 618 CO -0.14 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.15 2pwl h SER 619 N 0.63 0.00 -0.48 0.00 4.64 -0.64 -1.63 113.55 116.06 2pwl h SER 619 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2pwl h SER 619 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pwl h SER 619 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2pwl n GLN 620 N -2.52 2.98 -2.16 4.77 1.13 -0.22 -4.91 117.38 116.45 2pwl n GLN 620 Ca 0.03 -2.09 -0.20 0.00 -1.94 0.00 0.00 57.00 52.80 2pwl n GLN 620 Cb 0.31 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 2pwl n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pwl n LYS 621 N 0.78 -1.51 -4.61 -1.09 4.76 -0.61 -4.94 118.16 110.93 2pwl n LYS 621 Ca 0.19 1.01 -0.33 0.00 -2.87 0.00 0.00 58.31 56.31 2pwl n LYS 621 Cb 0.68 -5.54 -0.13 0.00 -1.84 0.00 0.00 35.03 28.20 2pwl n LYS 621 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pwl s ILE 623 N 0.19 3.98 0.01 0.00 -4.36 -0.24 -3.97 121.20 116.82 2pwl s ILE 623 Ca -0.05 -0.30 -0.23 0.00 -0.26 0.00 0.00 60.65 59.81 2pwl s ILE 623 Cb -0.14 -2.82 -0.17 0.00 1.25 0.00 0.00 42.46 40.58 2pwl s ILE 623 CO 0.04 0.41 1.30 -0.74 0.24 0.00 0.00 174.94 176.19 2pwl h HIS 624 N 7.70 0.23 0.00 1.37 -0.00 -1.91 -0.99 115.15 121.56 2pwl h HIS 624 Ca -0.37 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 2pwl h HIS 624 Cb 1.18 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2pwl h HIS 624 CO 0.61 0.63 0.00 0.54 -0.00 0.00 0.00 177.93 179.71 2pwl n ARG 625 N -4.69 0.00 -2.69 5.26 1.74 -1.26 -2.68 116.66 112.34 2pwl n ARG 625 Ca -0.07 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.94 2pwl n ARG 625 Cb 0.31 -2.89 0.04 0.00 -1.02 0.00 0.00 32.46 28.90 2pwl n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pwl n ASP 626 N 0.00 1.95 -4.73 0.55 4.64 -1.26 -4.81 116.55 112.89 2pwl n ASP 626 Ca 0.00 -2.52 -0.42 0.00 -1.38 0.00 0.00 54.79 50.48 2pwl n ASP 626 Cb 0.00 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.56 2pwl n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pwl s LEU 627 N -3.51 4.41 -0.29 -2.67 2.96 -1.26 -4.83 118.68 113.50 2pwl s LEU 627 Ca 0.30 2.17 -0.31 0.00 -0.22 0.00 0.00 54.13 56.07 2pwl s LEU 627 Cb 0.39 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.67 2pwl s LEU 627 CO -0.01 -0.44 1.37 0.00 -1.32 0.00 0.00 176.35 175.95 2pwl s ALA 628 N 0.47 -2.14 0.30 5.97 0.00 -1.26 -4.87 121.76 120.23 2pwl s ALA 628 Ca 0.56 1.90 0.06 0.00 0.00 0.00 0.00 51.96 54.48 2pwl s ALA 628 Cb -0.32 -1.34 0.77 0.00 0.00 0.00 0.00 23.12 22.23 2pwl s ALA 628 CO 0.33 -0.29 1.73 0.00 0.00 0.00 0.00 175.76 177.53 2pwl h ALA 629 N 2.03 1.60 0.00 0.00 0.00 -1.93 0.36 119.26 121.32 2pwl h ALA 629 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pwl h ALA 629 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pwl h ALA 629 CO 0.21 -0.23 0.00 0.07 0.00 0.00 0.00 179.25 179.30 2pwl h ARG 630 N 0.56 0.00 -0.57 0.00 0.11 -1.93 -2.24 114.38 110.31 2pwl h ARG 630 Ca 0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.66 2pwl h ARG 630 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2pwl h ARG 630 CO -0.46 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.70 2pwl n ASN 631 N -2.92 5.69 -4.24 0.08 5.03 0.13 -4.76 115.26 114.28 2pwl n ASN 631 Ca -0.01 -2.93 -0.31 0.00 0.87 0.00 0.00 54.58 52.20 2pwl n ASN 631 Cb 0.19 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 38.10 2pwl n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pwl s VAL 632 N -2.76 2.01 0.08 2.41 1.01 -0.86 -1.19 120.40 121.10 2pwl s VAL 632 Ca 0.54 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2pwl s VAL 632 Cb 0.41 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2pwl s VAL 632 CO 0.16 0.55 0.03 -0.76 0.00 0.00 0.00 175.10 175.08 2pwl s LEU 633 N 0.06 3.59 -0.14 3.92 1.43 0.24 0.22 118.68 127.99 2pwl s LEU 633 Ca -0.10 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2pwl s LEU 633 Cb -0.15 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2pwl s LEU 633 CO 0.06 0.18 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 2pwl s VAL 634 N -1.33 1.97 0.96 -1.59 1.01 -0.13 0.40 120.40 121.69 2pwl s VAL 634 Ca 0.27 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 2pwl s VAL 634 Cb -0.12 -1.76 0.19 0.00 0.00 0.00 0.00 36.38 34.70 2pwl s VAL 634 CO 0.19 0.53 1.30 0.42 0.00 0.00 0.00 175.10 177.54 2pwl s THR 635 N 0.95 1.98 0.34 3.92 -4.23 -0.97 -1.23 115.64 116.40 2pwl s THR 635 Ca -0.04 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 2pwl s THR 635 Cb -0.15 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.04 2pwl s THR 635 CO -0.04 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.80 2pwl h GLU 636 N -1.63 0.71 -0.64 3.99 4.57 -1.91 -0.93 114.58 118.74 2pwl h GLU 636 Ca -0.45 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2pwl h GLU 636 Cb 1.25 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2pwl h GLU 636 CO 0.41 0.47 0.00 0.09 -1.18 0.00 0.00 179.01 178.80 2pwl n ASN 637 N -4.61 3.98 -1.41 1.04 3.02 -1.26 -4.93 115.26 111.08 2pwl n ASN 637 Ca 0.19 -2.42 -0.13 0.00 -0.03 0.00 0.00 54.58 52.19 2pwl n ASN 637 Cb 0.51 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 2pwl n ASN 637 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pwl n ASN 638 N 0.76 -4.05 -4.73 6.41 3.02 -0.35 -5.00 115.26 111.31 2pwl n ASN 638 Ca 0.20 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.37 2pwl n ASN 638 Cb 0.77 -3.20 -0.04 0.00 -0.61 0.00 0.00 39.78 36.70 2pwl n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pwl s VAL 639 N -2.62 4.86 0.06 2.41 1.01 -1.26 -4.84 120.40 120.01 2pwl s VAL 639 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 2pwl s VAL 639 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2pwl s VAL 639 CO 0.00 0.28 0.96 -0.04 0.00 0.00 0.00 175.10 176.29 2pwl s MET 640 N 0.48 4.62 -0.19 2.72 -1.94 -1.26 -2.29 119.30 121.44 2pwl s MET 640 Ca 0.42 1.41 0.01 0.00 -1.71 0.00 0.00 55.69 55.82 2pwl s MET 640 Cb -0.20 -3.41 0.04 0.00 2.01 0.00 0.00 34.83 33.27 2pwl s MET 640 CO 0.23 0.10 -0.09 0.15 -0.01 0.00 0.00 175.02 175.40 2pwl s LYS 641 N 0.46 1.87 0.02 2.03 -0.14 0.16 -4.18 119.74 119.96 2pwl s LYS 641 Ca 0.49 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 2pwl s LYS 641 Cb -0.22 -2.34 -0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2pwl s LYS 641 CO 0.29 -0.44 1.31 0.42 -0.76 0.00 0.00 175.35 176.16 2pwl s ILE 642 N 1.45 3.85 0.00 2.17 1.01 -0.58 0.80 121.20 129.90 2pwl s ILE 642 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2pwl s ILE 642 Cb -0.16 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2pwl s ILE 642 CO -0.08 0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.89 2pwl n ALA 643 N 4.84 0.00 -3.16 9.38 0.00 -0.34 -0.98 120.51 130.25 2pwl n ALA 643 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2pwl n ALA 643 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 2pwl n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pwl n ASP 644 N -1.89 -7.08 -1.61 0.00 -0.08 -1.26 -4.79 116.55 99.84 2pwl n ASP 644 Ca 0.00 -0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2pwl n ASP 644 Cb 0.00 -4.27 0.19 0.00 2.34 0.00 0.00 41.12 39.39 2pwl n ASP 644 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2pwl n PHE 645 N -1.14 1.69 0.28 -0.67 3.01 -1.26 -4.48 117.46 114.89 2pwl n PHE 645 Ca -0.02 -0.93 0.14 0.00 1.01 0.00 0.00 57.45 57.65 2pwl n PHE 645 Cb 0.54 -0.54 0.84 0.00 -0.01 0.00 0.00 39.48 40.32 2pwl n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pwl h GLY 646 N 3.21 0.00 -0.28 1.37 0.00 -1.90 -2.87 103.07 102.59 2pwl h GLY 646 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2pwl h GLY 646 CO 0.52 0.00 -0.28 1.04 0.00 0.00 0.00 176.54 177.83 2pwl n LEU 647 N -3.85 0.91 -4.72 3.11 4.77 -1.26 -4.74 117.00 111.21 2pwl n LEU 647 Ca -0.03 -0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 54.93 2pwl n LEU 647 Cb 0.12 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2pwl n LEU 647 CO 0.29 0.19 0.84 0.00 -1.33 0.00 0.00 177.39 177.38 2pwl s ALA 648 N -1.50 2.18 0.05 -1.18 0.00 -1.08 -4.75 121.76 115.48 2pwl s ALA 648 Ca 0.06 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 2pwl s ALA 648 Cb 0.07 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2pwl s ALA 648 CO 0.28 -1.84 0.28 1.03 0.00 0.00 0.00 175.76 175.51 2pwl s ARG 649 N -3.69 0.81 0.49 0.00 1.81 -0.37 -5.00 118.95 113.00 2pwl s ARG 649 Ca 0.78 -0.59 -0.22 0.00 -1.72 0.00 0.00 55.73 53.98 2pwl s ARG 649 Cb -0.33 0.34 -0.07 0.00 -0.45 0.00 0.00 34.95 34.45 2pwl s ARG 649 CO 0.44 -0.26 1.16 0.34 -0.68 0.00 0.00 175.30 176.30 2pwl s ASP 650 N -2.21 5.95 0.44 0.23 -1.08 -1.26 -1.08 116.67 117.67 2pwl s ASP 650 Ca -0.03 2.28 0.24 0.00 -0.52 0.00 0.00 52.55 54.52 2pwl s ASP 650 Cb -0.00 -2.60 1.24 0.00 -1.46 0.00 0.00 42.92 40.11 2pwl s ASP 650 CO -0.05 -1.06 1.78 -0.29 0.52 0.00 0.00 175.17 176.07 2pwl h ILE 651 N 1.60 0.49 0.00 4.11 6.09 -0.75 -0.17 117.51 128.87 2pwl h ILE 651 Ca -0.50 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 2pwl h ILE 651 Cb 1.26 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.74 2pwl h ILE 651 CO 0.59 0.05 -0.32 0.59 -3.07 0.00 0.00 178.15 175.98 2pwl n ASN 652 N -4.50 0.47 -3.56 2.19 3.02 -1.26 -4.41 115.26 107.20 2pwl n ASN 652 Ca 0.25 0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.57 2pwl n ASN 652 Cb 0.99 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 2pwl n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pwl n ASN 653 N -1.78 7.63 -3.70 6.41 4.05 -0.08 -4.85 115.26 122.95 2pwl n ASN 653 Ca 0.05 -3.29 -0.11 0.00 0.45 0.00 0.00 54.58 51.69 2pwl n ASN 653 Cb 0.38 -1.32 -0.11 0.00 1.23 0.00 0.00 39.78 39.96 2pwl n ASN 653 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2pwl s ILE 654 N -1.92 -0.12 -0.84 -1.44 -1.09 -1.26 -4.70 121.20 109.83 2pwl s ILE 654 Ca 0.49 0.13 -0.22 0.00 -2.23 0.00 0.00 60.65 58.81 2pwl s ILE 654 Cb 0.18 -0.55 0.07 0.00 -1.58 0.00 0.00 42.46 40.58 2pwl s ILE 654 CO -0.09 0.05 1.19 -1.81 -1.23 0.00 0.00 174.94 173.05 2pwl s ASP 655 N 1.56 6.38 0.36 3.58 1.01 -1.26 -5.01 116.67 123.29 2pwl s ASP 655 Ca -0.08 -1.30 -0.28 0.00 0.71 0.00 0.00 52.55 51.60 2pwl s ASP 655 Cb -0.09 -2.48 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 2pwl s ASP 655 CO -0.12 -1.43 1.51 -0.31 0.21 0.00 0.00 175.17 175.03 2pwl s TYR 656 N 4.24 2.61 0.00 4.23 1.51 -1.26 -3.08 117.35 125.60 2pwl s TYR 656 Ca 0.34 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.49 2pwl s TYR 656 Cb -0.08 -4.04 0.00 0.00 -0.11 0.00 0.00 41.96 37.74 2pwl s TYR 656 CO 0.01 -3.12 0.00 0.66 -1.11 0.00 0.00 175.55 171.99 2pwl n TYR 657 N 0.78 0.00 -2.58 2.71 0.53 0.32 -5.01 117.16 113.91 2pwl n TYR 657 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.48 2pwl n TYR 657 Cb 0.39 -0.02 -0.03 0.00 -1.03 0.00 0.00 39.34 38.65 2pwl n TYR 657 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 2pwl s LYS 658 N 0.00 4.50 0.56 -0.72 -0.14 -1.18 -4.92 119.74 117.85 2pwl s LYS 658 Ca 0.00 1.58 0.37 0.00 -1.36 0.00 0.00 55.97 56.56 2pwl s LYS 658 Cb 0.00 -3.41 1.51 0.00 -1.68 0.00 0.00 37.83 34.24 2pwl s LYS 658 CO 0.00 -0.15 1.70 1.57 -0.76 0.00 0.00 175.35 177.71 2pwl h LYS 659 N 6.81 0.00 0.00 1.68 2.10 -1.95 0.39 116.57 125.60 2pwl h LYS 659 Ca -0.41 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.10 2pwl h LYS 659 Cb 1.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2pwl h LYS 659 CO 0.78 0.00 -1.06 1.79 -2.00 0.00 0.00 179.45 178.96 2pwl h THR 660 N 0.00 0.64 -2.32 0.07 1.35 -1.95 -3.46 112.91 107.23 2pwl h THR 660 Ca 0.59 -2.06 -0.62 0.00 -0.55 0.00 0.00 66.41 63.77 2pwl h THR 660 Cb 2.54 2.17 0.09 0.00 -1.73 0.00 0.00 68.15 71.22 2pwl h THR 660 CO -0.01 0.36 0.32 0.41 -0.25 0.00 0.00 175.52 176.36 2pwl n THR 661 N -3.01 1.25 -1.21 6.82 -1.04 0.12 -1.39 114.28 115.82 2pwl n THR 661 Ca -0.05 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.05 61.58 2pwl n THR 661 Cb 0.79 -1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 68.20 2pwl n THR 661 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2pwl n ASN 662 N 1.79 -4.97 0.14 8.00 3.02 -1.26 -4.87 115.26 117.10 2pwl n ASN 662 Ca 0.12 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.97 2pwl n ASN 662 Cb 0.29 -3.11 0.51 0.00 -0.61 0.00 0.00 39.78 36.86 2pwl n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwl n GLY 663 N -0.64 -1.20 1.05 7.41 0.00 -0.48 -3.06 105.19 108.26 2pwl n GLY 663 Ca -0.07 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2pwl n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwl n ARG 664 N -2.24 3.25 -3.57 1.61 1.74 -1.26 -4.98 116.66 111.20 2pwl n ARG 664 Ca 0.01 -2.70 -0.37 0.00 -0.77 0.00 0.00 57.85 54.02 2pwl n ARG 664 Cb 0.19 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 29.81 2pwl n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pwl s LEU 665 N -2.25 4.37 -0.06 0.55 1.43 -1.17 -5.01 118.68 116.54 2pwl s LEU 665 Ca 0.40 0.71 -0.34 0.00 -1.03 0.00 0.00 54.13 53.87 2pwl s LEU 665 Cb 0.30 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.97 2pwl s LEU 665 CO 0.14 0.24 1.85 -2.65 0.23 0.00 0.00 176.35 176.16 2pwl n PRO 666 N 2.56 2.18 -0.23 1.29 -0.02 -1.26 -4.87 135.00 134.64 2pwl n PRO 666 Ca -0.14 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2pwl n PRO 666 Cb 0.53 -2.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.48 2pwl n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pwl h VAL 667 N 5.25 0.92 0.00 -1.45 2.07 -1.95 -2.78 116.25 118.30 2pwl h VAL 667 Ca -0.48 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2pwl h VAL 667 Cb 1.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2pwl h VAL 667 CO 0.94 0.12 0.00 0.29 0.02 0.00 0.00 177.57 178.94 2pwl n LYS 668 N -4.83 0.07 -0.01 1.57 5.02 -1.26 -1.94 118.16 116.79 2pwl n LYS 668 Ca 0.09 0.26 0.01 0.00 -2.02 0.00 0.00 58.31 56.66 2pwl n LYS 668 Cb 0.21 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2pwl n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2pwl n TRP 669 N -1.39 0.02 -3.62 2.13 8.01 -1.07 -4.97 117.44 116.56 2pwl n TRP 669 Ca 0.04 -0.09 -0.37 0.00 -1.31 0.00 0.00 57.50 55.77 2pwl n TRP 669 Cb 0.10 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 2pwl n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2pwl s MET 670 N -0.34 3.75 0.32 -0.99 1.75 -0.82 -3.99 119.30 118.99 2pwl s MET 670 Ca 0.03 0.20 -0.28 0.00 -1.25 0.00 0.00 55.69 54.39 2pwl s MET 670 Cb 0.02 -3.14 -0.09 0.00 2.84 0.00 0.00 34.83 34.45 2pwl s MET 670 CO 0.03 0.67 1.09 0.00 -0.65 0.00 0.00 175.02 176.16 2pwl s ALA 671 N -1.17 3.30 0.25 4.11 0.00 -1.26 -4.96 121.76 122.03 2pwl s ALA 671 Ca 0.25 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2pwl s ALA 671 Cb -0.15 -3.32 0.49 0.00 0.00 0.00 0.00 23.12 20.15 2pwl s ALA 671 CO 0.13 -0.20 1.72 -1.35 0.00 0.00 0.00 175.76 176.07 2pwl h PRO 672 N 3.38 0.42 -0.01 0.00 0.11 -1.95 -1.45 132.00 132.51 2pwl h PRO 672 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pwl h PRO 672 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2pwl h PRO 672 CO 0.65 0.28 0.01 1.05 -0.21 0.00 0.00 178.00 179.78 2pwl h GLU 673 N 0.43 0.00 -0.39 1.05 9.09 -1.92 -0.36 114.58 122.48 2pwl h GLU 673 Ca 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.84 2pwl h GLU 673 Cb 0.68 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.76 2pwl h GLU 673 CO -0.42 0.00 0.23 0.00 0.05 0.00 0.00 179.01 178.86 2pwl h ALA 674 N 1.99 1.67 0.00 1.06 0.00 -1.38 -0.85 119.26 121.74 2pwl h ALA 674 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.46 2pwl h ALA 674 Cb 0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2pwl h ALA 674 CO -0.00 0.29 -2.19 -0.11 0.00 0.00 0.00 179.25 177.24 2pwl n LEU 675 N -4.45 1.97 -0.22 0.00 7.94 -0.65 -3.24 117.00 118.35 2pwl n LEU 675 Ca 0.03 0.35 -0.07 0.00 -1.11 0.00 0.00 56.01 55.21 2pwl n LEU 675 Cb 0.09 -0.87 0.04 0.00 0.53 0.00 0.00 43.42 43.20 2pwl n LEU 675 CO 0.36 0.51 1.05 -0.26 -1.11 0.00 0.00 177.39 177.94 2pwl h PHE 676 N -0.96 0.86 0.00 1.96 0.05 -1.15 -3.30 116.94 114.41 2pwl h PHE 676 Ca -0.60 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.16 2pwl h PHE 676 Cb 1.54 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 39.22 2pwl h PHE 676 CO -0.03 0.64 -0.71 -0.25 -0.18 0.00 0.00 178.31 177.77 2pwl n ASP 677 N -4.54 0.74 -3.27 2.17 8.00 -0.38 -5.02 116.55 114.26 2pwl n ASP 677 Ca 0.04 -0.73 -0.19 0.00 0.71 0.00 0.00 54.79 54.63 2pwl n ASP 677 Cb 0.10 1.06 0.08 0.00 -0.02 0.00 0.00 41.12 42.34 2pwl n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pwl n ARG 678 N -1.37 -6.65 -4.39 -1.24 5.12 -0.88 -3.72 116.66 103.52 2pwl n ARG 678 Ca 0.02 0.76 -0.19 0.00 -1.93 0.00 0.00 57.85 56.51 2pwl n ARG 678 Cb 0.22 -5.58 -0.10 0.00 -1.16 0.00 0.00 32.46 25.84 2pwl n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pwl s VAL 679 N -3.31 1.04 -0.24 1.55 -7.23 -1.23 -0.52 120.40 110.45 2pwl s VAL 679 Ca 0.26 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 2pwl s VAL 679 Cb -0.12 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.29 2pwl s VAL 679 CO 0.66 -0.10 0.55 -0.47 -0.31 0.00 0.00 175.10 175.43 2pwl s TYR 680 N -3.41 -0.98 0.35 2.82 5.04 -1.26 -3.96 117.35 115.95 2pwl s TYR 680 Ca 0.34 1.86 0.05 0.00 -2.44 0.00 0.00 57.07 56.88 2pwl s TYR 680 Cb 0.07 0.52 -0.02 0.00 0.35 0.00 0.00 41.96 42.89 2pwl s TYR 680 CO 0.13 -0.52 0.19 0.25 -1.34 0.00 0.00 175.55 174.26 2pwl n THR 681 N 4.92 0.00 0.05 4.34 -2.24 -1.26 -5.00 114.28 115.09 2pwl n THR 681 Ca -0.15 -2.24 0.04 0.00 -2.27 0.00 0.00 64.05 59.43 2pwl n THR 681 Cb 0.53 0.93 0.43 0.00 -2.10 0.00 0.00 70.33 70.12 2pwl n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pwl h HIS 682 N 1.78 0.42 0.00 4.78 3.86 -1.99 -0.18 115.15 123.82 2pwl h HIS 682 Ca -0.26 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2pwl h HIS 682 Cb 1.13 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 2pwl h HIS 682 CO 0.00 0.32 -0.07 1.96 0.86 0.00 0.00 177.93 181.00 2pwl h GLN 683 N 0.44 0.00 -0.12 2.45 1.08 -1.93 -1.37 115.11 115.66 2pwl h GLN 683 Ca 0.11 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.12 2pwl h GLN 683 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2pwl h GLN 683 CO -0.02 0.07 -0.71 0.77 -0.95 0.00 0.00 178.83 177.99 2pwl h SER 684 N 0.00 0.62 -0.20 1.46 0.02 -1.41 -3.01 113.55 111.04 2pwl h SER 684 Ca -0.00 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 2pwl h SER 684 Cb 0.42 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2pwl h SER 684 CO 0.01 1.14 -0.14 0.44 -1.14 0.00 0.00 176.83 177.14 2pwl h ASP 685 N 0.37 0.58 0.65 3.07 3.45 -1.10 -2.58 116.42 120.86 2pwl h ASP 685 Ca -0.03 -0.16 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 2pwl h ASP 685 Cb 1.29 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 2pwl h ASP 685 CO 0.13 0.74 -0.37 -0.37 -1.57 0.00 0.00 179.24 177.80 2pwl h VAL 686 N 0.54 1.00 -0.15 -1.35 -1.51 -1.33 0.17 116.25 113.62 2pwl h VAL 686 Ca 0.09 -1.42 -0.01 0.00 -1.23 0.00 0.00 66.70 64.14 2pwl h VAL 686 Cb 0.55 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2pwl h VAL 686 CO 0.03 0.37 0.06 -0.25 -1.23 0.00 0.00 177.57 176.55 2pwl h TRP 687 N 0.00 0.24 -0.60 5.19 2.91 -1.33 -0.76 115.95 121.59 2pwl h TRP 687 Ca -0.00 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 2pwl h TRP 687 Cb 0.80 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 29.35 2pwl h TRP 687 CO 0.00 0.32 0.33 0.77 -1.03 0.00 0.00 178.44 178.83 2pwl h SER 688 N 0.09 0.74 -0.69 2.65 0.02 -1.17 -1.16 113.55 114.04 2pwl h SER 688 Ca 0.05 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pwl h SER 688 Cb 0.19 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2pwl h SER 688 CO -0.00 0.60 0.44 0.15 -1.14 0.00 0.00 176.83 176.88 2pwl h PHE 689 N 0.84 0.88 -0.59 3.45 3.57 0.06 -0.94 116.94 124.21 2pwl h PHE 689 Ca 0.21 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 2pwl h PHE 689 Cb 0.03 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2pwl h PHE 689 CO 0.01 0.57 0.38 0.78 -2.23 0.00 0.00 178.31 177.82 2pwl h GLY 690 N 0.96 0.84 1.42 2.40 0.00 0.13 0.26 103.07 109.07 2pwl h GLY 690 Ca 0.25 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2pwl h GLY 690 CO -0.05 0.28 -0.08 -2.08 0.00 0.00 0.00 176.54 174.61 2pwl h VAL 691 N 0.77 1.24 -0.65 4.60 2.07 -1.20 -1.62 116.25 121.46 2pwl h VAL 691 Ca 0.22 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2pwl h VAL 691 Cb -0.05 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2pwl h VAL 691 CO -0.07 0.36 0.16 0.25 0.02 0.00 0.00 177.57 178.30 2pwl h LEU 692 N 0.64 0.96 -0.78 2.57 5.85 -0.47 -0.83 115.31 123.25 2pwl h LEU 692 Ca 0.12 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2pwl h LEU 692 Cb 0.51 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2pwl h LEU 692 CO 0.03 0.92 0.44 0.24 -0.34 0.00 0.00 178.44 179.73 2pwl h MET 693 N 0.98 1.09 -0.57 1.25 2.86 -0.36 -0.65 114.93 119.52 2pwl h MET 693 Ca 0.21 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2pwl h MET 693 Cb 0.34 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2pwl h MET 693 CO -0.00 0.80 0.03 2.35 1.06 0.00 0.00 176.91 181.15 2pwl h TRP 694 N 1.08 1.04 -0.46 -0.22 7.01 -0.80 -1.39 115.95 122.22 2pwl h TRP 694 Ca 0.28 -0.16 -0.07 0.00 2.11 0.00 0.00 58.89 61.05 2pwl h TRP 694 Cb 0.02 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 2pwl h TRP 694 CO 0.00 0.92 -0.01 0.93 -2.79 0.00 0.00 178.44 177.48 2pwl h GLU 695 N 0.90 0.76 -0.18 2.65 5.08 -0.48 -2.31 114.58 121.00 2pwl h GLU 695 Ca 0.17 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2pwl h GLU 695 Cb 0.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2pwl h GLU 695 CO 0.02 0.78 -0.06 0.82 -1.00 0.00 0.00 179.01 179.57 2pwl h ILE 696 N 0.71 1.30 0.00 3.13 2.04 -0.66 0.65 117.51 124.67 2pwl h ILE 696 Ca 0.14 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2pwl h ILE 696 Cb 0.45 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2pwl h ILE 696 CO 0.02 0.32 0.00 0.49 0.00 0.00 0.00 178.15 178.98 2pwl n PHE 697 N -4.64 0.00 -0.44 1.37 3.72 -0.57 -1.86 117.46 115.04 2pwl n PHE 697 Ca -0.05 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2pwl n PHE 697 Cb 0.28 -0.50 0.32 0.00 -0.94 0.00 0.00 39.48 38.65 2pwl n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pwl n THR 698 N -1.50 1.27 -3.88 4.37 -2.24 -0.88 -4.14 114.28 107.28 2pwl n THR 698 Ca 0.06 -1.07 -0.30 0.00 -2.27 0.00 0.00 64.05 60.48 2pwl n THR 698 Cb 0.30 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2pwl n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pwl n LEU 699 N 1.39 -2.65 0.00 3.22 4.77 -0.78 -2.85 117.00 120.10 2pwl n LEU 699 Ca 0.24 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2pwl n LEU 699 Cb 0.69 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 2pwl n LEU 699 CO 0.18 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2pwl n GLY 700 N -1.74 1.44 3.79 -0.72 0.00 0.22 -2.77 105.19 105.41 2pwl n GLY 700 Ca 0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2pwl n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwl s GLY 701 N -2.15 1.63 -0.14 -0.02 0.00 -1.13 -4.89 107.32 100.62 2pwl s GLY 701 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.44 2pwl s GLY 701 CO 0.00 0.32 0.54 -0.56 0.00 0.00 0.00 173.10 173.40 2pwl s SER 702 N -3.75 6.69 0.62 1.64 0.01 -1.26 -4.71 113.70 112.94 2pwl s SER 702 Ca 0.61 0.83 -0.19 0.00 1.31 0.00 0.00 55.95 58.51 2pwl s SER 702 Cb -0.15 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2pwl s SER 702 CO 0.55 -0.10 1.31 -2.16 0.41 0.00 0.00 173.24 173.25 2pwl s PRO 703 N 1.08 2.71 -1.32 12.44 0.04 -1.26 -3.43 135.00 145.26 2pwl s PRO 703 Ca 0.27 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 2pwl s PRO 703 Cb -0.16 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 2pwl s PRO 703 CO 0.11 -1.48 0.56 0.66 0.04 0.00 0.00 177.00 176.88 2pwl n TYR 704 N -1.69 -1.74 -1.65 0.56 4.01 -1.26 -4.84 117.16 110.55 2pwl n TYR 704 Ca 0.14 0.66 -0.48 0.00 -0.16 0.00 0.00 57.90 58.07 2pwl n TYR 704 Cb 0.47 -3.72 -0.04 0.00 -0.31 0.00 0.00 39.34 35.74 2pwl n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2pwl n PRO 705 N -4.34 1.85 -0.33 -0.72 -0.04 -1.22 -1.15 135.00 129.04 2pwl n PRO 705 Ca -0.25 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2pwl n PRO 705 Cb 0.66 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2pwl n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pwl n GLY 706 N 3.01 1.75 3.41 0.55 0.00 -1.26 -5.01 105.19 107.64 2pwl n GLY 706 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2pwl n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwl s ILE 707 N -3.12 4.31 0.48 -0.61 1.01 -0.30 -5.09 121.20 117.88 2pwl s ILE 707 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 2pwl s ILE 707 Cb 0.00 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 2pwl s ILE 707 CO 0.00 0.13 1.20 -2.16 0.00 0.00 0.00 174.94 174.11 2pwl s PRO 708 N 1.57 3.61 0.39 2.79 0.04 -1.26 -4.90 135.00 137.23 2pwl s PRO 708 Ca 0.04 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.01 2pwl s PRO 708 Cb -0.17 -2.34 0.84 0.00 0.04 0.00 0.00 34.50 32.86 2pwl s PRO 708 CO 0.04 -0.69 1.97 -0.39 0.04 0.00 0.00 177.00 177.97 2pwl h VAL 709 N 1.73 0.99 0.00 -0.36 -1.51 -1.98 -1.57 116.25 113.56 2pwl h VAL 709 Ca -0.50 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2pwl h VAL 709 Cb 1.26 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2pwl h VAL 709 CO 0.59 0.12 0.00 1.05 -1.23 0.00 0.00 177.57 178.10 2pwl h GLU 710 N 0.64 0.00 0.00 5.19 9.09 -2.04 -2.88 114.58 124.58 2pwl h GLU 710 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 2pwl h GLU 710 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 2pwl h GLU 710 CO -0.09 0.00 -0.98 0.39 0.05 0.00 0.00 179.01 178.37 2pwl n GLU 711 N -2.79 0.85 -0.00 1.06 1.02 -0.61 -4.71 120.64 115.46 2pwl n GLU 711 Ca 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2pwl n GLU 711 Cb 0.21 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2pwl n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pwl h LEU 712 N 0.00 -0.64 -1.79 -4.62 5.85 -1.27 -2.95 115.31 109.89 2pwl h LEU 712 Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2pwl h LEU 712 Cb 0.49 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2pwl h LEU 712 CO 0.00 -0.25 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.46 2pwl h PHE 713 N -0.26 0.00 -0.23 1.25 -1.00 -1.84 -0.16 116.94 114.71 2pwl h PHE 713 Ca 0.10 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 2pwl h PHE 713 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 2pwl h PHE 713 CO -0.32 0.12 0.01 0.87 -1.61 0.00 0.00 178.31 177.38 2pwl h LYS 714 N 0.00 0.40 -0.52 1.51 6.56 -1.84 -1.65 116.57 121.02 2pwl h LYS 714 Ca -0.00 -0.12 -0.06 0.00 -1.06 0.00 0.00 60.65 59.40 2pwl h LYS 714 Cb 0.22 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2pwl h LYS 714 CO 0.02 0.57 0.07 -0.07 -2.06 0.00 0.00 179.45 177.97 2pwl h LEU 715 N 0.18 0.79 -0.29 2.94 3.38 -1.30 -2.09 115.31 118.92 2pwl h LEU 715 Ca 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2pwl h LEU 715 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pwl h LEU 715 CO 0.01 0.82 0.08 -0.07 0.09 0.00 0.00 178.44 179.37 2pwl h LEU 716 N 0.79 0.44 -1.78 1.67 3.38 -0.89 -0.14 115.31 118.79 2pwl h LEU 716 Ca 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2pwl h LEU 716 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2pwl h LEU 716 CO 0.01 0.54 0.07 0.11 0.09 0.00 0.00 178.44 179.27 2pwl h LYS 717 N 0.31 0.21 -0.03 1.13 1.57 -1.11 0.29 116.57 118.94 2pwl h LYS 717 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2pwl h LYS 717 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2pwl h LYS 717 CO -0.00 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 2pwl n GLU 718 N -4.48 1.15 0.00 3.15 1.02 -0.80 -4.90 120.64 115.78 2pwl n GLU 718 Ca -0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2pwl n GLU 718 Cb 0.11 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2pwl n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pwl n GLY 719 N 0.88 1.36 3.64 0.62 0.00 0.09 -5.06 105.19 106.72 2pwl n GLY 719 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2pwl n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pwl n HIS 720 N -1.88 1.45 -3.70 1.61 -0.00 -0.12 -4.96 115.22 107.62 2pwl n HIS 720 Ca 0.00 0.53 -0.14 0.00 -0.00 0.00 0.00 57.72 58.11 2pwl n HIS 720 Cb 0.00 -2.27 -0.09 0.00 -0.00 0.00 0.00 29.99 27.64 2pwl n HIS 720 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2pwl s ARG 721 N -2.16 0.66 0.66 1.57 1.81 -1.26 -4.50 118.95 115.73 2pwl s ARG 721 Ca 0.64 0.26 -0.17 0.00 -1.72 0.00 0.00 55.73 54.73 2pwl s ARG 721 Cb -0.53 0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 34.26 2pwl s ARG 721 CO 0.56 -0.15 1.00 -1.33 -0.68 0.00 0.00 175.30 174.70 2pwl n MET 722 N 1.94 0.76 -1.81 3.54 2.81 -1.26 -4.98 117.12 118.13 2pwl n MET 722 Ca -0.17 0.31 -0.30 0.00 -1.81 0.00 0.00 57.70 55.73 2pwl n MET 722 Cb 0.57 -2.23 0.07 0.00 -0.71 0.00 0.00 33.22 30.91 2pwl n MET 722 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pwl s ASP 723 N -1.42 5.02 0.06 7.83 1.01 -1.26 -4.99 116.67 122.92 2pwl s ASP 723 Ca 0.76 1.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.82 2pwl s ASP 723 Cb -0.38 -1.83 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 2pwl s ASP 723 CO 0.47 -1.61 1.60 -0.75 0.21 0.00 0.00 175.17 175.09 2pwl s LYS 724 N -5.35 4.21 0.46 8.23 2.20 -1.26 -4.97 119.74 123.26 2pwl s LYS 724 Ca 0.60 2.27 -0.24 0.00 -0.36 0.00 0.00 55.97 58.23 2pwl s LYS 724 Cb -0.12 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 32.56 2pwl s LYS 724 CO 0.52 -0.70 1.30 -2.14 -0.36 0.00 0.00 175.35 173.97 2pwl s PRO 725 N 2.51 3.64 0.43 4.03 0.02 -1.26 -4.90 135.00 139.47 2pwl s PRO 725 Ca 0.72 2.11 0.13 0.00 0.02 0.00 0.00 61.00 63.98 2pwl s PRO 725 Cb -0.39 -2.51 1.00 0.00 0.02 0.00 0.00 34.50 32.62 2pwl s PRO 725 CO 0.31 -0.75 1.99 0.00 -0.33 0.00 0.00 177.00 178.22 2pwl h ALA 726 N 2.13 1.97 -0.00 -1.55 0.00 -1.94 -2.89 119.26 116.98 2pwl h ALA 726 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pwl h ALA 726 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pwl h ALA 726 CO 0.60 -0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.85 2pwl n ASN 727 N -4.47 0.19 -4.50 0.00 4.13 -1.26 -4.92 115.26 104.43 2pwl n ASN 727 Ca 0.09 -1.09 -0.25 0.00 1.68 0.00 0.00 54.58 55.01 2pwl n ASN 727 Cb 0.33 -0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.46 2pwl n ASN 727 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pwl s THR 729 N -2.64 3.02 0.38 0.00 -4.23 -1.26 -4.89 115.64 106.02 2pwl s THR 729 Ca 0.31 0.33 0.14 0.00 -1.18 0.00 0.00 61.69 61.29 2pwl s THR 729 Cb 0.00 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.84 2pwl s THR 729 CO 0.15 -0.43 1.85 0.78 -0.54 0.00 0.00 174.62 176.43 2pwl h ASN 730 N -1.06 0.00 -0.13 3.99 2.35 -1.98 -1.51 115.58 117.24 2pwl h ASN 730 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2pwl h ASN 730 Cb 1.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 2pwl h ASN 730 CO 0.60 0.34 0.03 -0.08 -1.65 0.00 0.00 177.43 176.67 2pwl h GLU 731 N 0.00 0.21 -0.07 0.81 4.81 -1.99 0.06 114.58 118.41 2pwl h GLU 731 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2pwl h GLU 731 Cb 0.61 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2pwl h GLU 731 CO 0.04 0.38 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.30 2pwl h LEU 732 N 0.00 0.13 -0.53 1.64 3.38 -1.86 -2.29 115.31 115.79 2pwl h LEU 732 Ca 0.04 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2pwl h LEU 732 Cb 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pwl h LEU 732 CO 0.00 0.46 -0.47 0.22 0.09 0.00 0.00 178.44 178.74 2pwl h TYR 733 N 0.11 0.80 -0.38 1.13 3.20 -1.04 -2.30 116.97 118.50 2pwl h TYR 733 Ca 0.01 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.58 2pwl h TYR 733 Cb 0.65 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2pwl h TYR 733 CO 0.01 1.00 0.04 0.52 -1.64 0.00 0.00 178.16 178.09 2pwl h MET 734 N 0.52 0.57 -0.12 1.82 2.86 -0.63 -0.18 114.93 119.79 2pwl h MET 734 Ca 0.03 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2pwl h MET 734 Cb 1.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2pwl h MET 734 CO 0.10 0.57 0.04 1.98 1.06 0.00 0.00 176.91 180.65 2pwl h MET 735 N 0.56 0.18 -0.15 1.72 1.85 -1.11 0.18 114.93 118.16 2pwl h MET 735 Ca 0.12 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.22 2pwl h MET 735 Cb 0.29 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.25 2pwl h MET 735 CO 0.01 0.32 -0.13 0.52 -0.40 0.00 0.00 176.91 177.22 2pwl h MET 736 N 0.01 -0.14 -0.82 0.39 2.07 -0.84 -1.21 114.93 114.39 2pwl h MET 736 Ca 0.04 0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.74 2pwl h MET 736 Cb 0.21 0.03 -0.06 0.00 -1.87 0.00 0.00 31.60 29.92 2pwl h MET 736 CO -0.00 -0.10 0.50 0.00 1.07 0.00 0.00 176.91 178.38 2pwl h ARG 737 N -0.15 0.88 -0.69 1.72 2.47 -0.88 -0.76 114.38 116.96 2pwl h ARG 737 Ca 0.10 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2pwl h ARG 737 Cb 0.29 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 2pwl h ARG 737 CO -0.24 0.58 0.40 -0.44 0.56 0.00 0.00 179.97 180.83 2pwl h ASP 738 N 0.91 0.83 0.27 7.04 3.32 -0.22 -0.60 116.42 127.97 2pwl h ASP 738 Ca 0.36 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2pwl h ASP 738 Cb 0.18 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2pwl h ASP 738 CO -0.18 0.65 -0.17 0.00 -1.72 0.00 0.00 179.24 177.83 2pwl n TRP 740 N -3.98 2.32 -2.21 0.00 8.01 -0.24 -3.89 117.44 117.44 2pwl n TRP 740 Ca -0.02 -1.48 -0.38 0.00 -1.31 0.00 0.00 57.50 54.31 2pwl n TRP 740 Cb 0.25 -0.77 -0.01 0.00 -2.01 0.00 0.00 31.31 28.78 2pwl n TRP 740 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2pwl s HIS 741 N -2.52 2.87 0.20 -5.99 3.76 -1.04 -4.93 115.29 107.64 2pwl s HIS 741 Ca 0.44 1.52 -0.06 0.00 -0.15 0.00 0.00 55.06 56.81 2pwl s HIS 741 Cb 0.37 -3.43 0.15 0.00 1.11 0.00 0.00 32.58 30.77 2pwl s HIS 741 CO 0.09 -1.61 1.62 0.00 -0.85 0.00 0.00 174.74 173.98 2pwl h ALA 742 N 2.17 0.84 -2.25 -1.40 0.00 -1.93 -3.40 119.26 113.28 2pwl h ALA 742 Ca -0.49 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 2pwl h ALA 742 Cb 1.25 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2pwl h ALA 742 CO 0.61 0.64 0.37 0.08 0.00 0.00 0.00 179.25 180.95 2pwl s VAL 743 N -4.66 4.80 0.20 0.00 1.01 -1.26 -4.89 120.40 115.60 2pwl s VAL 743 Ca -0.10 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 2pwl s VAL 743 Cb 0.13 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.52 2pwl s VAL 743 CO 0.84 -0.26 1.68 -0.65 0.00 0.00 0.00 175.10 176.72 2pwl h PRO 744 N 8.16 0.13 0.00 2.72 0.11 -1.94 -1.21 132.00 139.96 2pwl h PRO 744 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2pwl h PRO 744 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pwl h PRO 744 CO 0.88 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 2pwl n SER 745 N -5.23 0.26 -0.22 -2.05 3.41 -1.26 -1.61 113.62 106.91 2pwl n SER 745 Ca 0.07 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2pwl n SER 745 Cb 0.30 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 63.92 2pwl n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwl n GLN 746 N -1.80 0.71 -3.05 4.33 3.00 -0.46 -4.86 117.38 115.24 2pwl n GLN 746 Ca 0.02 -0.44 -0.32 0.00 -0.01 0.00 0.00 57.00 56.24 2pwl n GLN 746 Cb 0.14 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 2pwl n GLN 746 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2pwl s ARG 747 N -2.60 4.03 0.87 -1.09 0.52 -0.64 -4.94 118.95 115.12 2pwl s ARG 747 Ca 0.21 0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 56.06 2pwl s ARG 747 Cb 0.19 -2.37 0.12 0.00 0.52 0.00 0.00 34.95 33.40 2pwl s ARG 747 CO 0.57 0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.83 2pwl s PRO 748 N -3.08 1.42 0.56 3.54 0.04 -1.26 -5.03 135.00 131.18 2pwl s PRO 748 Ca 0.56 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2pwl s PRO 748 Cb -0.10 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2pwl s PRO 748 CO 0.17 -2.17 0.82 0.95 0.04 0.00 0.00 177.00 176.82 2pwl s THR 749 N -2.89 3.25 0.39 1.26 -4.23 -1.26 -4.93 115.64 107.22 2pwl s THR 749 Ca 0.63 -0.36 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2pwl s THR 749 Cb -0.18 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.55 2pwl s THR 749 CO 0.57 -0.22 1.91 -0.26 -0.54 0.00 0.00 174.62 176.08 2pwl h PHE 750 N -0.02 0.00 -0.39 3.99 0.04 -1.94 -1.62 116.94 117.00 2pwl h PHE 750 Ca -0.45 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.26 2pwl h PHE 750 Cb 1.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 2pwl h PHE 750 CO 0.42 0.27 0.01 -0.22 -0.60 0.00 0.00 178.31 178.18 2pwl h LYS 751 N 0.00 0.69 -0.57 1.51 3.64 -1.93 -0.94 116.57 118.96 2pwl h LYS 751 Ca -0.00 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2pwl h LYS 751 Cb 0.52 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2pwl h LYS 751 CO 0.04 0.78 0.10 1.96 -2.27 0.00 0.00 179.45 180.05 2pwl h GLN 752 N 0.51 0.91 -0.63 1.90 4.20 -1.83 -1.80 115.11 118.38 2pwl h GLN 752 Ca 0.11 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2pwl h GLN 752 Cb 0.46 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2pwl h GLN 752 CO 0.02 0.84 0.22 -0.07 -0.67 0.00 0.00 178.83 179.18 2pwl h LEU 753 N 0.87 0.89 -0.31 1.46 3.38 -1.09 -1.62 115.31 118.89 2pwl h LEU 753 Ca 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pwl h LEU 753 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2pwl h LEU 753 CO 0.01 0.84 0.19 0.58 0.09 0.00 0.00 178.44 180.15 2pwl h VAL 754 N 0.89 1.11 -0.74 1.22 2.07 -0.77 -0.86 116.25 119.18 2pwl h VAL 754 Ca 0.21 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2pwl h VAL 754 Cb 0.25 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2pwl h VAL 754 CO -0.01 0.11 0.28 -0.33 0.02 0.00 0.00 177.57 177.64 2pwl h GLU 755 N 0.40 1.10 -0.17 1.57 5.08 -1.11 0.16 114.58 121.61 2pwl h GLU 755 Ca 0.11 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 2pwl h GLU 755 Cb 0.01 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.08 2pwl h GLU 755 CO -0.02 0.90 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.82 2pwl h ASP 756 N 1.08 0.86 -0.39 1.42 3.32 -1.15 -2.18 116.42 119.37 2pwl h ASP 756 Ca 0.25 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 2pwl h ASP 756 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2pwl h ASP 756 CO -0.02 1.32 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.71 2pwl h LEU 757 N 0.45 0.78 -0.74 1.55 3.38 -1.00 0.85 115.31 120.57 2pwl h LEU 757 Ca -0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2pwl h LEU 757 Cb 1.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2pwl h LEU 757 CO 0.13 0.87 0.31 -0.78 0.09 0.00 0.00 178.44 179.06 2pwl h ASP 758 N 0.74 1.01 -0.24 -0.43 3.58 -0.65 0.17 116.42 120.60 2pwl h ASP 758 Ca 0.14 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.35 2pwl h ASP 758 Cb 0.51 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2pwl h ASP 758 CO 0.03 0.90 -0.16 -0.09 -2.88 0.00 0.00 179.24 177.04 2pwl h ARG 759 N 1.06 0.53 -0.57 0.28 2.43 -0.89 -1.43 114.38 115.80 2pwl h ARG 759 Ca 0.25 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2pwl h ARG 759 Cb 0.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2pwl h ARG 759 CO -0.02 0.81 0.05 0.82 -1.51 0.00 0.00 179.97 180.12 2pwl h ILE 760 N 0.24 1.26 -0.37 1.20 2.04 -0.64 -1.32 117.51 119.91 2pwl h ILE 760 Ca 0.05 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2pwl h ILE 760 Cb 0.68 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2pwl h ILE 760 CO 0.04 0.38 0.14 0.25 0.00 0.00 0.00 178.15 178.96 2pwl h LEU 761 N 0.85 0.52 -0.02 1.44 5.85 -0.66 -2.17 115.31 121.12 2pwl h LEU 761 Ca 0.17 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2pwl h LEU 761 Cb 0.47 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2pwl h LEU 761 CO 0.02 0.55 0.00 0.74 -0.34 0.00 0.00 178.44 179.42 2pwl h THR 762 N 0.45 1.20 0.00 1.05 2.02 -1.13 -2.40 112.91 114.10 2pwl h THR 762 Ca 0.12 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2pwl h THR 762 Cb 0.20 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2pwl h THR 762 CO -0.01 0.16 -0.10 -0.07 0.37 0.00 0.00 175.52 175.87 2pwl h LEU 763 N -0.21 0.00 -0.28 2.58 3.38 -1.26 -1.80 115.31 117.72 2pwl h LEU 763 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2pwl h LEU 763 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2pwl h LEU 763 CO 0.00 0.10 -0.12 0.74 0.09 0.00 0.00 178.44 179.24 2pwl h THR 764 N 0.00 1.29 0.00 0.22 2.02 -1.23 -3.51 112.91 111.70 2pwl h THR 764 Ca -0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2pwl h THR 764 Cb 0.18 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2pwl h THR 764 CO 0.01 0.38 0.00 0.41 0.37 0.00 0.00 175.52 176.69