#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm8 h ARG 480 N 0.00 0.00 0.04 -1.46 9.65 -2.00 -3.05 114.38 117.56 3hm8 h ARG 480 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3hm8 h ARG 480 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3hm8 h ARG 480 CO 0.00 0.00 -0.02 -0.09 2.80 0.00 0.00 179.97 182.66 3hm8 h ARG 481 N 0.00 -0.06 -0.45 0.20 1.12 -2.05 -2.36 114.38 110.78 3hm8 h ARG 481 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.92 3hm8 h ARG 481 Cb 0.46 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.39 3hm8 h ARG 481 CO 0.00 0.12 0.21 -0.07 -3.11 0.00 0.00 179.97 177.11 3hm8 h LEU 482 N -0.22 0.28 -0.68 3.80 3.38 -1.97 -0.16 115.31 119.74 3hm8 h LEU 482 Ca -0.01 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3hm8 h LEU 482 Cb 0.20 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 3hm8 h LEU 482 CO 0.01 0.20 0.27 0.25 0.09 0.00 0.00 178.44 179.26 3hm8 h LEU 483 N 0.41 0.27 -0.16 1.67 5.85 -1.48 0.18 115.31 122.05 3hm8 h LEU 483 Ca 0.20 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 3hm8 h LEU 483 Cb 0.14 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hm8 h LEU 483 CO -0.16 0.14 -0.42 -0.33 -0.34 0.00 0.00 178.44 177.33 3hm8 h GLU 484 N 0.44 0.56 -0.56 1.25 4.39 -1.06 -1.77 114.58 117.83 3hm8 h GLU 484 Ca 0.35 -0.39 0.11 0.00 0.34 0.00 0.00 59.36 59.77 3hm8 h GLU 484 Cb 0.47 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.10 3hm8 h GLU 484 CO -0.34 1.01 0.05 0.93 -1.16 0.00 0.00 179.01 179.50 3hm8 h GLU 485 N 0.20 0.16 -0.32 2.33 5.08 -0.38 0.92 114.58 122.57 3hm8 h GLU 485 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hm8 h GLU 485 Cb 1.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3hm8 h GLU 485 CO 0.09 0.11 0.17 1.15 -1.00 0.00 0.00 179.01 179.53 3hm8 h THR 486 N 0.17 1.14 0.00 1.13 2.02 -0.59 -2.96 112.91 113.82 3hm8 h THR 486 Ca 0.29 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3hm8 h THR 486 Cb 0.44 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3hm8 h THR 486 CO -0.43 0.15 0.00 0.18 0.37 0.00 0.00 175.52 175.78 3hm8 n LEU 487 N -4.78 0.00 -0.23 2.58 4.77 -0.67 -4.27 117.00 114.40 3hm8 n LEU 487 Ca -0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3hm8 n LEU 487 Cb 0.09 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.80 3hm8 n LEU 487 CO 0.35 -0.02 0.73 0.00 -1.33 0.00 0.00 177.39 177.13 3hm8 h ALA 488 N 3.05 0.44 0.00 -1.18 0.00 -0.66 -1.05 119.26 119.87 3hm8 h ALA 488 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hm8 h ALA 488 Cb 0.44 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hm8 h ALA 488 CO 0.00 -0.42 -0.01 -1.35 0.00 0.00 0.00 179.25 177.47 3hm8 h PRO 489 N -0.00 0.00 -0.00 0.00 0.11 -1.80 -1.71 132.00 128.60 3hm8 h PRO 489 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3hm8 h PRO 489 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3hm8 h PRO 489 CO -0.69 0.01 -0.05 1.19 -0.21 0.00 0.00 178.00 178.25 3hm8 n PHE 490 N -3.23 0.00 -3.64 0.65 3.72 -0.40 -4.52 117.46 110.04 3hm8 n PHE 490 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3hm8 n PHE 490 Cb 0.13 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 3hm8 n PHE 490 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hm8 s ARG 491 N -2.23 2.75 -0.14 -1.08 0.52 -0.64 -4.18 118.95 113.95 3hm8 s ARG 491 Ca 0.37 -2.49 -0.22 0.00 -0.52 0.00 0.00 55.73 52.87 3hm8 s ARG 491 Cb 0.21 -3.87 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 3hm8 s ARG 491 CO 0.41 -1.19 0.67 -0.51 0.02 0.00 0.00 175.30 174.70 3hm8 s LEU 492 N 0.04 4.22 0.92 2.53 1.43 -1.26 -5.02 118.68 121.54 3hm8 s LEU 492 Ca 0.17 1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 3hm8 s LEU 492 Cb -0.19 -2.99 0.15 0.00 0.03 0.00 0.00 46.19 43.20 3hm8 s LEU 492 CO -0.04 -0.21 1.21 0.54 0.23 0.00 0.00 176.35 178.07 3hm8 s ASN 493 N 1.00 3.45 0.17 2.29 4.22 -1.26 -4.81 114.94 120.00 3hm8 s ASN 493 Ca 0.33 0.65 -0.15 0.00 -2.14 0.00 0.00 52.86 51.55 3hm8 s ASN 493 Cb -0.16 -1.00 0.12 0.00 1.28 0.00 0.00 41.25 41.48 3hm8 s ASN 493 CO 0.13 -2.56 1.73 -0.74 -2.04 0.00 0.00 177.10 173.62 3hm8 h HIS 494 N -1.51 0.14 -0.61 1.54 -0.00 -1.99 -2.00 115.15 110.72 3hm8 h HIS 494 Ca -0.47 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3hm8 h HIS 494 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.68 3hm8 h HIS 494 CO -0.39 0.01 0.37 -0.44 -0.00 0.00 0.00 177.93 177.49 3hm8 h ASP 495 N 0.22 0.73 0.10 3.26 5.19 -1.99 -0.19 116.42 123.73 3hm8 h ASP 495 Ca 0.20 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3hm8 h ASP 495 Cb 0.24 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3hm8 h ASP 495 CO -0.26 0.57 -0.10 1.56 -3.12 0.00 0.00 179.24 177.88 3hm8 h GLN 496 N 0.83 -0.22 -1.00 3.56 4.20 -1.86 -1.52 115.11 119.09 3hm8 h GLN 496 Ca 0.22 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.96 3hm8 h GLN 496 Cb -0.03 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3hm8 h GLN 496 CO -0.04 -0.14 0.66 -0.07 -0.67 0.00 0.00 178.83 178.56 3hm8 h LEU 497 N -0.22 1.13 -0.89 1.46 3.38 -1.10 -1.71 115.31 117.36 3hm8 h LEU 497 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hm8 h LEU 497 Cb 0.22 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hm8 h LEU 497 CO -0.03 0.80 0.59 0.00 0.09 0.00 0.00 178.44 179.89 3hm8 h ALA 498 N 1.38 1.13 -0.75 1.53 0.00 -0.79 -1.91 119.26 119.86 3hm8 h ALA 498 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3hm8 h ALA 498 Cb -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.30 3hm8 h ALA 498 CO -0.10 0.53 0.39 0.00 0.00 0.00 0.00 179.25 180.07 3hm8 h ALA 499 N 1.33 1.27 -0.06 0.00 0.00 -0.40 0.24 119.26 121.65 3hm8 h ALA 499 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hm8 h ALA 499 Cb -0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 3hm8 h ALA 499 CO -0.07 0.58 0.03 0.28 0.00 0.00 0.00 179.25 180.06 3hm8 h VAL 500 N 1.06 1.12 -0.32 0.00 2.07 -0.92 0.15 116.25 119.40 3hm8 h VAL 500 Ca 0.26 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3hm8 h VAL 500 Cb 0.06 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3hm8 h VAL 500 CO -0.04 0.10 0.00 -0.61 0.02 0.00 0.00 177.57 177.04 3hm8 h GLN 501 N -0.04 0.09 -0.55 1.57 4.15 -1.03 -0.54 115.11 118.76 3hm8 h GLN 501 Ca 0.02 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 3hm8 h GLN 501 Cb 0.14 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 3hm8 h GLN 501 CO -0.00 0.06 0.20 0.00 -1.93 0.00 0.00 178.83 177.16 3hm8 h ALA 502 N 1.28 0.68 0.00 3.38 0.00 -0.12 -0.16 119.26 124.32 3hm8 h ALA 502 Ca 0.16 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3hm8 h ALA 502 Cb 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hm8 h ALA 502 CO -0.26 -0.21 -0.63 0.37 0.00 0.00 0.00 179.25 178.53 3hm8 h GLN 503 N 0.37 0.00 -0.26 0.00 4.15 -0.42 -1.90 115.11 117.06 3hm8 h GLN 503 Ca 0.27 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.52 3hm8 h GLN 503 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3hm8 h GLN 503 CO -0.28 0.63 -0.51 1.98 -1.93 0.00 0.00 178.83 178.72 3hm8 h MET 504 N 0.00 0.80 -0.87 1.69 4.05 -0.67 -1.43 114.93 118.50 3hm8 h MET 504 Ca -0.01 -0.52 0.08 0.00 -0.28 0.00 0.00 59.70 58.97 3hm8 h MET 504 Cb 1.28 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 32.09 3hm8 h MET 504 CO 0.08 1.15 0.57 -0.09 0.23 0.00 0.00 176.91 178.84 3hm8 h ARG 505 N 0.55 0.91 -0.13 0.39 9.65 -0.87 0.12 114.38 125.00 3hm8 h ARG 505 Ca 0.01 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3hm8 h ARG 505 Cb 1.12 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.49 3hm8 h ARG 505 CO 0.11 0.60 -0.14 -0.22 2.80 0.00 0.00 179.97 183.12 3hm8 h LYS 506 N 0.94 0.33 -0.83 0.20 3.64 -1.23 -2.54 116.57 117.07 3hm8 h LYS 506 Ca 0.39 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3hm8 h LYS 506 Cb 0.28 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3hm8 h LYS 506 CO -0.15 0.73 0.54 0.00 -2.27 0.00 0.00 179.45 178.31 3hm8 h ALA 507 N 0.59 1.58 0.03 5.00 0.00 -0.44 -1.10 119.26 124.93 3hm8 h ALA 507 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hm8 h ALA 507 Cb 0.68 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hm8 h ALA 507 CO 0.03 0.30 -0.02 0.52 0.00 0.00 0.00 179.25 180.08 3hm8 h MET 508 N 0.93 -0.04 0.01 0.00 2.86 -0.77 -1.74 114.93 116.17 3hm8 h MET 508 Ca 0.36 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 58.03 3hm8 h MET 508 Cb 0.21 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3hm8 h MET 508 CO -0.13 0.22 -0.34 0.00 1.06 0.00 0.00 176.91 177.73 3hm8 h ALA 509 N 0.64 -0.50 0.02 6.32 0.00 -0.99 -2.26 119.26 122.50 3hm8 h ALA 509 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hm8 h ALA 509 Cb 0.29 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3hm8 h ALA 509 CO 0.01 -0.86 -0.09 0.87 0.00 0.00 0.00 179.25 179.19 3hm8 h LYS 510 N -0.50 -0.15 -0.69 0.00 1.57 -1.24 -2.62 116.57 112.94 3hm8 h LYS 510 Ca 0.06 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 3hm8 h LYS 510 Cb 0.58 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.82 3hm8 h LYS 510 CO -0.27 -0.10 0.14 0.78 -0.57 0.00 0.00 179.45 179.42 3hm8 h GLY 511 N -0.16 0.91 1.34 3.86 0.00 -1.13 -0.94 103.07 106.95 3hm8 h GLY 511 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3hm8 h GLY 511 CO -0.07 -0.18 0.02 1.41 0.00 0.00 0.00 176.54 177.71 3hm8 h LEU 512 N 0.24 0.78 0.00 3.11 3.38 -1.20 -2.41 115.31 119.21 3hm8 h LEU 512 Ca 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hm8 h LEU 512 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hm8 h LEU 512 CO -0.50 0.83 0.00 0.54 0.09 0.00 0.00 178.44 179.41 3hm8 n ARG 513 N -4.22 0.36 -0.46 1.13 1.74 -0.75 -1.99 116.66 112.47 3hm8 n ARG 513 Ca 0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hm8 n ARG 513 Cb 0.29 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3hm8 n ARG 513 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hm8 n GLY 514 N 1.24 0.75 3.84 -0.13 0.00 -0.73 -4.93 105.19 105.23 3hm8 n GLY 514 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hm8 n GLY 514 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hm8 s GLU 515 N -0.54 0.79 -0.29 1.61 2.02 -0.44 -4.96 118.70 116.90 3hm8 s GLU 515 Ca 0.00 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 3hm8 s GLU 515 Cb 0.00 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 3hm8 s GLU 515 CO 0.00 -2.37 1.52 0.00 0.02 0.00 0.00 175.26 174.44 3hm8 s ALA 516 N -3.53 3.20 0.16 5.21 0.00 -1.26 -4.15 121.76 121.40 3hm8 s ALA 516 Ca 0.68 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.93 3hm8 s ALA 516 Cb -0.09 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 3hm8 s ALA 516 CO 0.53 -2.07 -0.12 0.45 0.00 0.00 0.00 175.76 174.55 3hm8 s SER 517 N 4.05 1.99 0.00 0.00 0.15 -1.26 -4.81 113.70 113.83 3hm8 s SER 517 Ca 0.67 -0.99 0.25 0.00 0.70 0.00 0.00 55.95 56.58 3hm8 s SER 517 Cb -0.20 -0.05 0.56 0.00 -1.71 0.00 0.00 66.02 64.62 3hm8 s SER 517 CO 0.29 -0.27 1.45 -1.54 1.20 0.00 0.00 173.24 174.36 3hm8 n SER 518 N -0.16 0.54 -4.64 5.45 3.41 -1.26 -4.70 113.62 112.26 3hm8 n SER 518 Ca -0.10 -0.30 -0.39 0.00 -0.26 0.00 0.00 58.87 57.82 3hm8 n SER 518 Cb 0.60 0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 3hm8 n SER 518 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hm8 s LEU 519 N -2.94 4.10 0.29 1.04 1.43 -1.26 -3.98 118.68 117.36 3hm8 s LEU 519 Ca 0.13 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 3hm8 s LEU 519 Cb 0.18 -2.51 0.45 0.00 0.03 0.00 0.00 46.19 44.34 3hm8 s LEU 519 CO 0.67 -0.15 1.69 0.08 0.23 0.00 0.00 176.35 178.87 3hm8 h ARG 520 N 7.75 0.19 -5.91 1.70 -0.00 -1.75 -3.43 114.38 112.94 3hm8 h ARG 520 Ca -0.33 -0.10 -0.36 0.00 -0.00 0.00 0.00 59.98 59.19 3hm8 h ARG 520 Cb 1.16 0.00 0.13 0.00 -0.00 0.00 0.00 29.97 31.26 3hm8 h ARG 520 CO 0.69 0.61 -0.90 -1.33 -0.00 0.00 0.00 179.97 179.04 3hm8 n MET 521 N -4.00 -1.97 -2.71 0.08 0.00 -1.14 -4.88 117.12 102.50 3hm8 n MET 521 Ca -0.02 0.63 -0.42 0.00 0.00 0.00 0.00 57.70 57.89 3hm8 n MET 521 Cb 0.50 -4.89 -0.03 0.00 0.00 0.00 0.00 33.22 28.80 3hm8 n MET 521 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hm8 s LEU 522 N -6.07 4.21 0.30 4.03 1.43 0.63 -4.83 118.68 118.38 3hm8 s LEU 522 Ca 0.43 1.46 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 3hm8 s LEU 522 Cb -0.11 -3.51 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 3hm8 s LEU 522 CO 0.81 -0.48 1.46 -2.84 0.23 0.00 0.00 176.35 175.53 3hm8 s PRO 523 N 2.24 4.22 0.00 1.29 0.02 -1.26 -0.93 135.00 140.58 3hm8 s PRO 523 Ca 0.46 2.39 0.16 0.00 0.02 0.00 0.00 61.00 64.03 3hm8 s PRO 523 Cb -0.17 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.18 3hm8 s PRO 523 CO 0.15 -0.44 0.73 0.25 -0.33 0.00 0.00 177.00 177.36 3hm8 n THR 524 N 1.67 0.00 -2.52 0.99 -2.24 -1.05 -4.30 114.28 106.83 3hm8 n THR 524 Ca 0.05 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 3hm8 n THR 524 Cb 0.40 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3hm8 n THR 524 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hm8 n PHE 525 N -0.92 -1.25 -3.56 4.78 3.01 -1.26 -4.58 117.46 113.68 3hm8 n PHE 525 Ca 0.04 0.08 -0.41 0.00 1.01 0.00 0.00 57.45 58.17 3hm8 n PHE 525 Cb 0.28 -3.73 -0.10 0.00 -0.01 0.00 0.00 39.48 35.92 3hm8 n PHE 525 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hm8 s VAL 526 N -2.96 4.48 -2.71 -4.37 1.01 -1.26 -4.62 120.40 109.97 3hm8 s VAL 526 Ca 0.05 -1.25 0.24 0.00 0.00 0.00 0.00 61.98 61.02 3hm8 s VAL 526 Cb -0.02 -3.69 0.35 0.00 0.00 0.00 0.00 36.38 33.01 3hm8 s VAL 526 CO 0.06 -0.48 1.42 0.54 0.00 0.00 0.00 175.10 176.65 3hm8 n ARG 527 N 4.99 2.17 -3.59 2.72 1.74 -1.26 -0.72 116.66 122.70 3hm8 n ARG 527 Ca -0.11 -1.72 -0.13 0.00 -0.77 0.00 0.00 57.85 55.12 3hm8 n ARG 527 Cb 0.44 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3hm8 n ARG 527 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hm8 s ALA 528 N -1.87 -1.85 0.84 7.54 0.00 -1.26 -4.51 121.76 120.66 3hm8 s ALA 528 Ca 0.33 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.90 3hm8 s ALA 528 Cb 0.21 -0.83 0.10 0.00 0.00 0.00 0.00 23.12 22.59 3hm8 s ALA 528 CO 0.31 -0.32 1.09 0.95 0.00 0.00 0.00 175.76 177.79 3hm8 s THR 529 N -0.34 2.94 -0.57 0.00 -4.23 -1.26 -4.78 115.64 107.39 3hm8 s THR 529 Ca -0.03 0.31 -0.41 0.00 -1.18 0.00 0.00 61.69 60.38 3hm8 s THR 529 Cb -0.03 -2.84 -0.19 0.00 1.34 0.00 0.00 72.50 70.78 3hm8 s THR 529 CO 0.02 -0.40 2.24 -2.65 -0.54 0.00 0.00 174.62 173.29 3hm8 n PRO 530 N -3.69 0.10 -2.85 3.99 -0.02 -1.26 -4.83 135.00 126.44 3hm8 n PRO 530 Ca 0.07 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 3hm8 n PRO 530 Cb 0.55 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3hm8 n PRO 530 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hm8 s ASP 531 N 6.68 6.55 1.50 2.55 -0.00 -1.26 -4.94 116.67 127.74 3hm8 s ASP 531 Ca 1.22 -1.79 0.00 0.00 -0.00 0.00 0.00 52.55 51.97 3hm8 s ASP 531 Cb -1.39 -2.43 0.00 0.00 -0.00 0.00 0.00 42.92 39.09 3hm8 s ASP 531 CO 0.61 -1.20 0.00 0.61 -0.00 0.00 0.00 175.17 175.19 3hm8 n GLY 532 N 5.73 3.37 3.74 0.21 0.00 -1.26 -4.61 105.19 112.36 3hm8 n GLY 532 Ca 0.22 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hm8 n GLY 532 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hm8 s SER 533 N -4.00 7.06 -0.35 1.61 0.15 -1.26 -5.03 113.70 111.88 3hm8 s SER 533 Ca 0.00 1.27 0.02 0.00 0.70 0.00 0.00 55.95 57.93 3hm8 s SER 533 Cb 0.00 -2.41 0.15 0.00 -1.71 0.00 0.00 66.02 62.05 3hm8 s SER 533 CO 0.00 0.01 0.34 -1.61 1.20 0.00 0.00 173.24 173.18 3hm8 s GLU 534 N 0.13 0.55 0.78 5.44 2.02 -1.26 -5.16 118.70 121.20 3hm8 s GLU 534 Ca 0.35 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 3hm8 s GLU 534 Cb -0.19 -0.76 0.10 0.00 0.10 0.00 0.00 34.13 33.38 3hm8 s GLU 534 CO 0.19 -1.16 1.11 1.03 0.02 0.00 0.00 175.26 176.45 3hm8 s ARG 535 N 1.63 1.73 0.00 1.61 1.81 -1.26 -4.74 118.95 119.73 3hm8 s ARG 535 Ca 0.15 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3hm8 s ARG 535 Cb -0.16 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.26 3hm8 s ARG 535 CO -0.10 -1.59 0.00 0.41 -0.68 0.00 0.00 175.30 173.34 3hm8 n GLY 536 N -3.16 4.34 3.37 -3.53 0.00 -0.23 -4.89 105.19 101.09 3hm8 n GLY 536 Ca 0.11 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 3hm8 n GLY 536 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hm8 s ASP 537 N 0.00 4.63 0.01 1.61 1.01 -1.26 -0.53 116.67 122.14 3hm8 s ASP 537 Ca 0.00 -0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.00 3hm8 s ASP 537 Cb 0.00 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 3hm8 s ASP 537 CO 0.00 -0.02 -0.16 -0.36 0.21 0.00 0.00 175.17 174.84 3hm8 s PHE 538 N 1.48 1.45 0.46 4.23 0.40 0.23 -4.50 117.98 121.75 3hm8 s PHE 538 Ca 0.06 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 3hm8 s PHE 538 Cb -0.15 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 3hm8 s PHE 538 CO -0.00 0.01 0.80 -1.17 0.70 0.00 0.00 175.22 175.56 3hm8 s LEU 539 N -0.71 3.68 -0.16 -0.37 2.96 -0.71 -0.02 118.68 123.35 3hm8 s LEU 539 Ca 0.05 1.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.94 3hm8 s LEU 539 Cb -0.07 -4.00 0.06 0.00 0.50 0.00 0.00 46.19 42.68 3hm8 s LEU 539 CO 0.00 -0.53 0.38 0.00 -1.32 0.00 0.00 176.35 174.89 3hm8 s ALA 540 N -2.62 -0.97 0.05 5.97 0.00 0.18 -0.66 121.76 123.70 3hm8 s ALA 540 Ca 0.50 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.90 3hm8 s ALA 540 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3hm8 s ALA 540 CO 0.40 -0.27 0.19 -0.51 0.00 0.00 0.00 175.76 175.58 3hm8 s LEU 541 N 1.41 4.32 -0.32 0.00 1.43 -0.72 -0.52 118.68 124.28 3hm8 s LEU 541 Ca -0.09 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3hm8 s LEU 541 Cb -0.09 -2.85 0.12 0.00 0.03 0.00 0.00 46.19 43.40 3hm8 s LEU 541 CO -0.12 0.19 0.19 -0.62 0.23 0.00 0.00 176.35 176.22 3hm8 s ASP 542 N -2.38 2.95 -0.02 2.29 3.68 -0.64 0.02 116.67 122.56 3hm8 s ASP 542 Ca 0.33 -1.54 0.07 0.00 2.13 0.00 0.00 52.55 53.54 3hm8 s ASP 542 Cb -0.13 -0.19 -0.02 0.00 -1.45 0.00 0.00 42.92 41.13 3hm8 s ASP 542 CO 0.26 -0.38 -0.23 -0.22 0.13 0.00 0.00 175.17 174.73 3hm8 s LEU 543 N 1.74 2.04 0.00 -1.34 2.96 0.08 -2.10 118.68 122.07 3hm8 s LEU 543 Ca 0.13 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3hm8 s LEU 543 Cb -0.18 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.33 3hm8 s LEU 543 CO -0.21 0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 3hm8 n GLY 544 N 2.54 1.67 2.24 7.98 0.00 -1.26 -1.35 105.19 117.01 3hm8 n GLY 544 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 3hm8 n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm8 n GLY 545 N -0.19 0.44 0.33 -0.02 0.00 -1.26 -4.94 105.19 99.55 3hm8 n GLY 545 Ca 0.00 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.20 3hm8 n GLY 545 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hm8 h THR 546 N -0.63 0.86 -3.71 2.61 1.35 -1.99 -3.40 112.91 108.01 3hm8 h THR 546 Ca -0.20 -0.01 -0.68 0.00 -0.55 0.00 0.00 66.41 64.97 3hm8 h THR 546 Cb 0.70 0.84 -0.29 0.00 -1.73 0.00 0.00 68.15 67.68 3hm8 h THR 546 CO 0.20 0.00 -0.83 0.20 -0.25 0.00 0.00 175.52 174.85 3hm8 s ASN 547 N -6.61 3.53 -0.12 5.36 0.01 -1.26 -5.03 114.94 110.83 3hm8 s ASN 547 Ca -0.05 -0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 51.55 3hm8 s ASN 547 Cb 0.18 -1.16 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 3hm8 s ASN 547 CO 0.70 0.23 0.35 0.12 -1.51 0.00 0.00 177.10 176.99 3hm8 s PHE 548 N -0.04 3.54 -0.03 2.20 5.36 -1.25 -4.63 117.98 123.12 3hm8 s PHE 548 Ca -0.05 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.62 3hm8 s PHE 548 Cb -0.14 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 3hm8 s PHE 548 CO 0.05 0.33 0.09 1.03 -1.46 0.00 0.00 175.22 175.26 3hm8 s ARG 549 N 0.10 0.10 -0.07 10.12 3.00 -0.89 -0.94 118.95 130.37 3hm8 s ARG 549 Ca 0.20 0.13 -0.04 0.00 0.00 0.00 0.00 55.73 56.02 3hm8 s ARG 549 Cb -0.14 0.05 -0.04 0.00 0.00 0.00 0.00 34.95 34.82 3hm8 s ARG 549 CO 0.07 -0.01 0.12 0.08 0.00 0.00 0.00 175.30 175.55 3hm8 s VAL 550 N 0.06 5.15 -0.04 3.52 1.01 -0.85 -1.62 120.40 127.63 3hm8 s VAL 550 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3hm8 s VAL 550 Cb -0.01 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3hm8 s VAL 550 CO 0.00 0.50 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 3hm8 s LEU 551 N -1.34 1.50 -0.19 3.92 1.43 0.32 -1.91 118.68 122.43 3hm8 s LEU 551 Ca 0.19 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 3hm8 s LEU 551 Cb -0.12 0.39 -0.03 0.00 0.03 0.00 0.00 46.19 46.45 3hm8 s LEU 551 CO 0.09 -0.05 0.03 -0.22 0.23 0.00 0.00 176.35 176.43 3hm8 s LEU 552 N 0.14 3.57 -0.22 1.79 2.96 -0.37 0.50 118.68 127.05 3hm8 s LEU 552 Ca -0.01 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3hm8 s LEU 552 Cb -0.02 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.83 3hm8 s LEU 552 CO -0.00 0.13 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.39 3hm8 s VAL 553 N 0.62 1.58 -0.42 1.68 1.01 0.97 -1.67 120.40 124.17 3hm8 s VAL 553 Ca 0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 3hm8 s VAL 553 Cb -0.13 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hm8 s VAL 553 CO 0.02 0.02 0.29 -0.13 0.00 0.00 0.00 175.10 175.30 3hm8 s ARG 554 N 1.39 2.87 -0.27 2.72 0.52 0.44 -0.60 118.95 126.02 3hm8 s ARG 554 Ca -0.04 -1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 53.89 3hm8 s ARG 554 Cb -0.18 -3.92 -0.03 0.00 0.52 0.00 0.00 34.95 31.35 3hm8 s ARG 554 CO -0.07 -0.84 0.12 0.08 0.02 0.00 0.00 175.30 174.62 3hm8 s VAL 555 N 1.59 4.66 0.00 3.52 1.01 0.30 -1.14 120.40 130.35 3hm8 s VAL 555 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3hm8 s VAL 555 Cb -0.21 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3hm8 s VAL 555 CO 0.07 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.77 3hm8 n THR 556 N 4.98 0.00 -0.11 3.92 -2.24 -1.26 -1.07 114.28 118.50 3hm8 n THR 556 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3hm8 n THR 556 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3hm8 n THR 556 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hm8 h THR 557 N 0.00 1.17 -4.86 4.28 1.35 -1.97 -3.45 112.91 109.43 3hm8 h THR 557 Ca 0.00 -0.49 -0.29 0.00 -0.55 0.00 0.00 66.41 65.08 3hm8 h THR 557 Cb 0.00 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.23 3hm8 h THR 557 CO 0.00 0.18 -0.15 0.61 -0.25 0.00 0.00 175.52 175.91 3hm8 n GLY 558 N -0.84 3.04 3.14 5.82 0.00 -1.26 -5.12 105.19 109.97 3hm8 n GLY 558 Ca -0.01 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 3hm8 n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hm8 s VAL 559 N -1.41 1.73 -0.12 1.61 1.01 -1.26 -4.39 120.40 117.57 3hm8 s VAL 559 Ca 0.13 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hm8 s VAL 559 Cb -0.01 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3hm8 s VAL 559 CO 0.08 0.49 -0.13 -1.58 0.00 0.00 0.00 175.10 173.96 3hm8 s GLN 560 N 0.51 2.02 -0.10 2.72 0.74 -0.29 -4.98 119.66 120.28 3hm8 s GLN 560 Ca -0.16 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 54.81 3hm8 s GLN 560 Cb -0.17 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 32.12 3hm8 s GLN 560 CO 0.06 -0.15 -0.22 0.42 -0.55 0.00 0.00 175.29 174.86 3hm8 s ILE 561 N 1.26 1.91 0.16 -2.34 1.01 -1.26 -0.42 121.20 121.51 3hm8 s ILE 561 Ca -0.02 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.80 3hm8 s ILE 561 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3hm8 s ILE 561 CO -0.05 0.53 -0.13 -0.89 0.00 0.00 0.00 174.94 174.40 3hm8 s THR 562 N 0.47 3.05 0.29 2.92 2.01 -0.67 -5.00 115.64 118.72 3hm8 s THR 562 Ca -0.16 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.01 3hm8 s THR 562 Cb -0.17 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.88 3hm8 s THR 562 CO 0.06 -0.05 0.70 -0.94 -0.69 0.00 0.00 174.62 173.71 3hm8 s SER 563 N -2.62 -0.20 -0.26 3.53 1.04 -1.26 -1.24 113.70 112.69 3hm8 s SER 563 Ca 0.23 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 3hm8 s SER 563 Cb -0.09 0.73 0.07 0.00 0.10 0.00 0.00 66.02 66.83 3hm8 s SER 563 CO 0.13 -1.37 0.65 -0.70 0.98 0.00 0.00 173.24 172.93 3hm8 s GLU 564 N -3.72 0.68 0.24 4.02 2.12 -0.80 -5.01 118.70 116.23 3hm8 s GLU 564 Ca 0.13 1.12 -0.16 0.00 0.36 0.00 0.00 54.97 56.41 3hm8 s GLU 564 Cb -0.05 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 3hm8 s GLU 564 CO 0.08 -0.14 0.68 0.42 -0.54 0.00 0.00 175.26 175.76 3hm8 s ILE 565 N 1.36 4.69 0.09 -3.70 1.01 -1.26 -2.00 121.20 121.38 3hm8 s ILE 565 Ca -0.08 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.63 3hm8 s ILE 565 Cb -0.05 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3hm8 s ILE 565 CO -0.15 0.06 -0.12 -0.31 0.00 0.00 0.00 174.94 174.42 3hm8 s TYR 566 N -1.69 1.13 0.09 3.97 2.02 -0.12 -4.99 117.35 117.76 3hm8 s TYR 566 Ca 0.46 -0.57 -0.23 0.00 -0.37 0.00 0.00 57.07 56.36 3hm8 s TYR 566 Cb -0.14 -0.62 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 3hm8 s TYR 566 CO 0.19 0.03 0.71 0.45 -1.57 0.00 0.00 175.55 175.36 3hm8 s SER 567 N -2.18 7.22 -0.41 2.29 0.15 -1.26 -3.92 113.70 115.59 3hm8 s SER 567 Ca 0.03 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.14 3hm8 s SER 567 Cb -0.06 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 3hm8 s SER 567 CO 0.01 0.16 0.22 -0.63 1.20 0.00 0.00 173.24 174.20 3hm8 s ILE 568 N -0.72 1.23 0.78 6.45 1.01 -1.26 -5.07 121.20 123.61 3hm8 s ILE 568 Ca 0.34 -2.33 -0.13 0.00 0.00 0.00 0.00 60.65 58.53 3hm8 s ILE 568 Cb -0.21 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.46 3hm8 s ILE 568 CO 0.23 -0.87 1.19 -2.84 0.00 0.00 0.00 174.94 172.64 3hm8 s PRO 569 N 0.58 1.86 0.44 2.79 0.02 -1.26 -4.63 135.00 134.80 3hm8 s PRO 569 Ca 0.17 1.68 0.23 0.00 0.02 0.00 0.00 61.00 63.09 3hm8 s PRO 569 Cb -0.24 -1.81 1.22 0.00 0.02 0.00 0.00 34.50 33.70 3hm8 s PRO 569 CO -0.02 -2.03 1.78 1.05 -0.33 0.00 0.00 177.00 177.45 3hm8 h GLU 570 N -0.75 0.28 -0.22 5.54 9.09 -1.97 0.31 114.58 126.86 3hm8 h GLU 570 Ca -0.46 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 58.99 3hm8 h GLU 570 Cb 1.29 -0.06 -0.06 0.00 -1.65 0.00 0.00 28.75 28.26 3hm8 h GLU 570 CO 0.48 0.18 -0.21 1.15 0.05 0.00 0.00 179.01 180.66 3hm8 h THR 571 N 0.29 0.46 -0.11 -1.06 2.02 -1.95 0.20 112.91 112.76 3hm8 h THR 571 Ca 0.58 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 67.52 3hm8 h THR 571 Cb 1.68 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3hm8 h THR 571 CO -0.22 0.00 -0.85 0.58 0.37 0.00 0.00 175.52 175.40 3hm8 h VAL 572 N -0.22 1.28 -0.25 3.16 2.07 -0.85 0.51 116.25 121.94 3hm8 h VAL 572 Ca 0.13 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.56 3hm8 h VAL 572 Cb 0.41 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3hm8 h VAL 572 CO -0.35 0.64 -0.05 0.00 0.02 0.00 0.00 177.57 177.83 3hm8 h ALA 573 N 0.52 1.44 -0.28 1.67 0.00 -0.57 -2.95 119.26 119.09 3hm8 h ALA 573 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hm8 h ALA 573 Cb 1.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hm8 h ALA 573 CO 0.17 0.39 0.00 1.04 0.00 0.00 0.00 179.25 180.85 3hm8 n GLN 574 N -4.29 2.89 0.00 0.00 6.02 0.70 -2.02 117.38 120.69 3hm8 n GLN 574 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 3hm8 n GLN 574 Cb 0.25 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3hm8 n GLN 574 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hm8 n GLY 575 N 0.29 0.80 3.89 1.08 0.00 0.17 -4.41 105.19 107.01 3hm8 n GLY 575 Ca 0.10 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3hm8 n GLY 575 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hm8 s SER 576 N -1.00 6.39 0.25 1.61 1.04 -1.26 -1.43 113.70 119.30 3hm8 s SER 576 Ca 0.00 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 3hm8 s SER 576 Cb 0.00 -2.05 0.44 0.00 0.10 0.00 0.00 66.02 64.50 3hm8 s SER 576 CO 0.00 0.37 1.78 1.23 0.98 0.00 0.00 173.24 177.60 3hm8 h GLY 577 N 4.65 1.27 0.43 7.32 0.00 -1.44 -0.68 103.07 114.62 3hm8 h GLY 577 Ca -0.53 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 46.56 3hm8 h GLY 577 CO 0.61 0.05 -0.23 0.06 0.00 0.00 0.00 176.54 177.03 3hm8 h GLN 578 N 0.68 -0.33 -0.76 4.80 -0.00 -1.93 -1.92 115.11 115.64 3hm8 h GLN 578 Ca 0.41 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 3hm8 h GLN 578 Cb 0.48 0.08 -0.04 0.00 -0.00 0.00 0.00 27.48 28.00 3hm8 h GLN 578 CO -0.30 -0.22 0.48 1.96 -0.00 0.00 0.00 178.83 180.75 3hm8 h GLN 579 N -0.35 1.02 0.36 0.06 4.20 -1.82 -0.28 115.11 118.30 3hm8 h GLN 579 Ca 0.07 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hm8 h GLN 579 Cb 0.44 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3hm8 h GLN 579 CO -0.23 0.70 -0.39 1.25 -0.67 0.00 0.00 178.83 179.49 3hm8 h LEU 580 N 1.04 -1.07 -0.58 1.46 5.85 -0.73 -0.24 115.31 121.04 3hm8 h LEU 580 Ca 0.28 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 3hm8 h LEU 580 Cb -0.08 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hm8 h LEU 580 CO -0.06 -0.53 -0.41 -0.26 -0.34 0.00 0.00 178.44 176.84 3hm8 h PHE 581 N -0.78 0.00 -0.10 1.25 0.04 -1.34 -1.32 116.94 114.70 3hm8 h PHE 581 Ca -0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3hm8 h PHE 581 Cb 0.71 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 3hm8 h PHE 581 CO -0.23 0.41 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.42 3hm8 h ASP 582 N 0.00 -0.10 -0.35 2.17 5.19 -0.83 -0.61 116.42 121.88 3hm8 h ASP 582 Ca -0.00 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3hm8 h ASP 582 Cb 1.08 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 3hm8 h ASP 582 CO 0.05 -0.04 0.18 -0.74 -3.12 0.00 0.00 179.24 175.58 3hm8 h HIS 583 N -0.00 0.34 -0.39 4.55 2.76 -0.72 -0.86 115.15 120.82 3hm8 h HIS 583 Ca 0.05 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3hm8 h HIS 583 Cb 0.08 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 3hm8 h HIS 583 CO -0.15 0.18 0.08 0.82 -1.30 0.00 0.00 177.93 177.56 3hm8 h ILE 584 N 0.37 0.80 -0.12 6.26 2.04 -1.00 -1.87 117.51 124.00 3hm8 h ILE 584 Ca 0.15 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hm8 h ILE 584 Cb 0.05 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hm8 h ILE 584 CO -0.10 0.04 0.06 0.58 0.00 0.00 0.00 178.15 178.74 3hm8 h VAL 585 N 0.21 1.10 -0.85 1.67 2.07 -0.84 -2.36 116.25 117.24 3hm8 h VAL 585 Ca 0.19 -0.29 0.21 0.00 0.82 0.00 0.00 66.70 67.63 3hm8 h VAL 585 Cb 0.22 1.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.94 3hm8 h VAL 585 CO -0.25 0.09 0.30 0.44 0.02 0.00 0.00 177.57 178.18 3hm8 h ASP 586 N 0.09 0.17 -0.63 0.57 3.32 -0.67 0.14 116.42 119.41 3hm8 h ASP 586 Ca 0.04 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3hm8 h ASP 586 Cb 0.09 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3hm8 h ASP 586 CO -0.01 -0.04 0.19 0.00 -1.72 0.00 0.00 179.24 177.67 3hm8 h ILE 588 N 0.91 0.96 -0.36 0.00 2.04 -0.29 0.32 117.51 121.09 3hm8 h ILE 588 Ca 0.20 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3hm8 h ILE 588 Cb 0.30 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 3hm8 h ILE 588 CO -0.01 0.04 -0.03 -0.37 0.00 0.00 0.00 178.15 177.79 3hm8 h VAL 589 N -0.18 0.70 0.15 1.67 -1.51 -0.94 0.48 116.25 116.62 3hm8 h VAL 589 Ca -0.01 -0.02 0.02 0.00 -1.23 0.00 0.00 66.70 65.45 3hm8 h VAL 589 Cb 0.15 0.63 -0.04 0.00 -2.13 0.00 0.00 31.29 29.90 3hm8 h VAL 589 CO 0.02 0.01 -0.32 -0.78 -1.23 0.00 0.00 177.57 175.27 3hm8 h ASP 590 N 0.07 -0.91 0.26 4.19 3.58 -0.57 0.79 116.42 123.83 3hm8 h ASP 590 Ca 0.18 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.73 3hm8 h ASP 590 Cb 0.25 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 3hm8 h ASP 590 CO -0.32 -0.41 -0.31 0.15 -2.88 0.00 0.00 179.24 175.47 3hm8 h PHE 591 N -0.56 -0.83 -0.68 0.28 3.57 0.11 -0.76 116.94 118.07 3hm8 h PHE 591 Ca 0.02 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.67 3hm8 h PHE 591 Cb 0.58 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.55 3hm8 h PHE 591 CO -0.27 -0.43 0.16 1.96 -2.23 0.00 0.00 178.31 177.49 3hm8 h GLN 592 N -0.62 0.26 -0.58 1.11 4.20 0.09 0.21 115.11 119.79 3hm8 h GLN 592 Ca -0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3hm8 h GLN 592 Cb 0.58 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 3hm8 h GLN 592 CO -0.09 0.17 0.23 1.96 -0.67 0.00 0.00 178.83 180.43 3hm8 h GLN 593 N 0.27 0.85 0.00 1.46 4.20 -0.42 -0.97 115.11 120.50 3hm8 h GLN 593 Ca 0.37 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 3hm8 h GLN 593 Cb 0.60 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3hm8 h GLN 593 CO -0.46 0.70 -0.25 0.87 -0.67 0.00 0.00 178.83 179.01 3hm8 h LYS 594 N 0.83 0.00 0.00 1.46 1.57 0.40 -3.27 116.57 117.56 3hm8 h LYS 594 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hm8 h LYS 594 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hm8 h LYS 594 CO -0.02 0.25 -0.92 1.04 -0.57 0.00 0.00 179.45 179.23 3hm8 n GLN 595 N -3.26 0.01 -0.92 3.15 1.13 -0.10 -4.97 117.38 112.43 3hm8 n GLN 595 Ca 0.01 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3hm8 n GLN 595 Cb 0.53 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.38 3hm8 n GLN 595 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hm8 n GLY 596 N 1.50 0.75 0.18 1.08 0.00 -0.47 -4.93 105.19 103.30 3hm8 n GLY 596 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3hm8 n GLY 596 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hm8 h LEU 597 N 0.00 -0.34 0.00 0.99 -0.00 -1.61 -3.45 115.31 110.90 3hm8 h LEU 597 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3hm8 h LEU 597 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 3hm8 h LEU 597 CO 0.00 -0.21 0.00 -0.24 -0.00 0.00 0.00 178.44 177.99 3hm8 n SER 598 N -5.25 0.00 -0.05 -0.43 2.88 -1.17 -2.23 113.62 107.36 3hm8 n SER 598 Ca -0.08 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 3hm8 n SER 598 Cb 0.17 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 3hm8 n SER 598 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3hm8 h GLY 599 N 0.00 0.86 -6.47 0.46 0.00 -1.95 -3.44 103.07 92.52 3hm8 h GLY 599 Ca 0.00 -0.99 -0.62 0.00 0.00 0.00 0.00 47.33 45.72 3hm8 h GLY 599 CO 0.00 0.89 1.33 -0.18 0.00 0.00 0.00 176.54 178.58 3hm8 n GLN 600 N -3.99 1.83 -3.11 4.80 7.27 -0.95 -4.92 117.38 118.31 3hm8 n GLN 600 Ca -0.04 0.58 -0.44 0.00 0.07 0.00 0.00 57.00 57.17 3hm8 n GLN 600 Cb 0.62 -2.80 -0.05 0.00 2.41 0.00 0.00 30.24 30.41 3hm8 n GLN 600 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3hm8 s SER 601 N 6.39 6.21 0.47 1.69 1.04 -1.26 -4.98 113.70 123.25 3hm8 s SER 601 Ca 1.00 -1.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 3hm8 s SER 601 Cb -0.61 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.18 3hm8 s SER 601 CO 0.45 -1.02 0.74 -0.76 0.98 0.00 0.00 173.24 173.63 3hm8 s LEU 602 N 2.76 3.63 0.08 2.42 1.43 -1.26 -4.71 118.68 123.03 3hm8 s LEU 602 Ca 0.14 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 3hm8 s LEU 602 Cb -0.21 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 3hm8 s LEU 602 CO 0.10 -0.65 1.48 -2.84 0.23 0.00 0.00 176.35 174.66 3hm8 s PRO 603 N -4.67 4.27 -0.02 1.29 0.02 -1.26 -4.32 135.00 130.31 3hm8 s PRO 603 Ca 0.47 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.50 3hm8 s PRO 603 Cb -0.10 -3.39 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3hm8 s PRO 603 CO 0.42 -0.56 0.41 -1.17 -0.33 0.00 0.00 177.00 175.76 3hm8 s LEU 604 N 1.77 4.44 -0.56 -5.54 0.20 -0.46 -1.74 118.68 116.78 3hm8 s LEU 604 Ca 0.67 0.92 -0.06 0.00 0.69 0.00 0.00 54.13 56.35 3hm8 s LEU 604 Cb -0.37 -2.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.95 3hm8 s LEU 604 CO 0.30 0.28 0.41 -0.83 -0.29 0.00 0.00 176.35 176.21 3hm8 s GLY 605 N -0.80 2.29 -0.56 7.98 0.00 0.16 -1.55 107.32 114.84 3hm8 s GLY 605 Ca 0.23 -2.91 -0.25 0.00 0.00 0.00 0.00 44.72 41.79 3hm8 s GLY 605 CO 0.12 1.11 0.98 -0.12 0.00 0.00 0.00 173.10 175.19 3hm8 s PHE 606 N 0.63 2.76 -0.43 1.90 2.19 0.12 -1.75 117.98 123.41 3hm8 s PHE 606 Ca 0.12 0.03 -0.25 0.00 0.33 0.00 0.00 56.93 57.16 3hm8 s PHE 606 Cb -0.21 -4.15 0.02 0.00 -1.31 0.00 0.00 43.02 37.37 3hm8 s PHE 606 CO -0.03 -1.40 0.89 0.99 1.83 0.00 0.00 175.22 177.49 3hm8 s THR 607 N 4.11 4.55 -0.37 0.12 2.01 0.10 -0.95 115.64 125.22 3hm8 s THR 607 Ca 0.32 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.16 3hm8 s THR 607 Cb -0.12 -4.37 0.11 0.00 0.01 0.00 0.00 72.50 68.13 3hm8 s THR 607 CO 0.20 -0.70 0.13 0.12 -0.69 0.00 0.00 174.62 173.68 3hm8 s PHE 608 N 3.55 2.56 -1.57 4.92 5.36 0.88 -0.74 117.98 132.95 3hm8 s PHE 608 Ca 0.36 -2.44 -0.10 0.00 -0.96 0.00 0.00 56.93 53.79 3hm8 s PHE 608 Cb -0.11 -2.25 -0.08 0.00 -0.34 0.00 0.00 43.02 40.24 3hm8 s PHE 608 CO 0.23 -0.86 2.94 -1.13 -1.46 0.00 0.00 175.22 174.93 3hm8 n SER 609 N 4.18 8.65 -4.00 6.13 3.41 -0.46 -4.28 113.62 127.26 3hm8 n SER 609 Ca 0.03 -2.62 -0.10 0.00 -0.26 0.00 0.00 58.87 55.93 3hm8 n SER 609 Cb 0.39 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.73 3hm8 n SER 609 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hm8 s PHE 610 N 1.87 0.50 -0.03 7.33 0.08 -1.26 -4.88 117.98 121.58 3hm8 s PHE 610 Ca 0.69 -0.85 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3hm8 s PHE 610 Cb 0.18 -0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.48 3hm8 s PHE 610 CO -0.06 -0.72 1.36 -2.14 -0.10 0.00 0.00 175.22 173.55 3hm8 s PRO 611 N -4.00 4.29 0.02 0.24 0.02 -1.26 -4.89 135.00 129.43 3hm8 s PRO 611 Ca 0.20 1.89 0.04 0.00 0.02 0.00 0.00 61.00 63.15 3hm8 s PRO 611 Cb 0.04 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3hm8 s PRO 611 CO 0.02 -0.57 -0.12 0.00 -0.33 0.00 0.00 177.00 176.00 3hm8 s ARG 613 N -0.88 3.49 -0.08 0.00 6.06 -0.27 -4.84 118.95 122.43 3hm8 s ARG 613 Ca 0.01 -0.10 0.02 0.00 -2.50 0.00 0.00 55.73 53.16 3hm8 s ARG 613 Cb -0.07 -3.89 -0.02 0.00 0.06 0.00 0.00 34.95 31.03 3hm8 s ARG 613 CO 0.01 -0.93 -0.13 -0.65 -2.50 0.00 0.00 175.30 171.10 3hm8 s GLN 614 N 2.91 2.87 -0.04 5.12 -0.21 -1.26 -1.57 119.66 127.48 3hm8 s GLN 614 Ca 0.26 -0.68 0.10 0.00 0.02 0.00 0.00 55.36 55.05 3hm8 s GLN 614 Cb -0.14 -2.50 0.27 0.00 1.00 0.00 0.00 33.01 31.64 3hm8 s GLN 614 CO 0.18 0.47 1.21 1.28 -2.12 0.00 0.00 175.29 176.32 3hm8 n LEU 615 N 2.77 2.82 -3.61 2.90 4.32 -1.26 -4.78 117.00 120.15 3hm8 n LEU 615 Ca -0.18 -2.23 -0.00 0.00 -0.02 0.00 0.00 56.01 53.58 3hm8 n LEU 615 Cb 0.52 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 3hm8 n LEU 615 CO 0.28 0.67 1.05 -0.83 -1.22 0.00 0.00 177.39 177.33 3hm8 s GLY 616 N -1.26 -0.37 0.28 -0.72 0.00 -1.26 -5.03 107.32 98.96 3hm8 s GLY 616 Ca 0.21 1.02 -0.01 0.00 0.00 0.00 0.00 44.72 45.95 3hm8 s GLY 616 CO 0.10 0.27 1.79 1.41 0.00 0.00 0.00 173.10 176.67 3hm8 h LEU 617 N 2.00 0.70 -0.28 0.66 3.38 -1.82 -3.16 115.31 116.80 3hm8 h LEU 617 Ca -0.23 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hm8 h LEU 617 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hm8 h LEU 617 CO 0.26 0.76 0.00 -0.90 0.09 0.00 0.00 178.44 178.66 3hm8 n ASP 618 N -4.23 0.40 -3.77 -0.43 5.75 -1.26 -0.66 116.55 112.35 3hm8 n ASP 618 Ca 0.02 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.68 3hm8 n ASP 618 Cb 0.28 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.23 3hm8 n ASP 618 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hm8 s GLN 619 N -1.90 0.63 -0.30 0.11 -2.07 -1.19 -4.83 119.66 110.11 3hm8 s GLN 619 Ca 0.05 -0.18 -0.07 0.00 -1.82 0.00 0.00 55.36 53.35 3hm8 s GLN 619 Cb 0.03 0.28 0.18 0.00 -1.09 0.00 0.00 33.01 32.41 3hm8 s GLN 619 CO 0.04 -0.17 0.83 0.20 -1.32 0.00 0.00 175.29 174.87 3hm8 s GLY 620 N -1.25 -0.70 -0.42 2.60 0.00 -1.26 -4.42 107.32 101.87 3hm8 s GLY 620 Ca -0.13 2.25 -0.24 0.00 0.00 0.00 0.00 44.72 46.61 3hm8 s GLY 620 CO 0.04 3.63 0.82 -0.42 0.00 0.00 0.00 173.10 177.16 3hm8 s ILE 621 N 2.91 4.64 -0.09 0.90 1.09 -0.61 -0.97 121.20 129.07 3hm8 s ILE 621 Ca 0.10 0.70 -0.34 0.00 -1.10 0.00 0.00 60.65 60.01 3hm8 s ILE 621 Cb -0.12 -4.30 -0.12 0.00 -1.06 0.00 0.00 42.46 36.86 3hm8 s ILE 621 CO -0.17 -0.63 1.87 -0.11 -0.10 0.00 0.00 174.94 175.81 3hm8 n LEU 622 N 6.70 3.42 -0.08 2.97 7.94 -0.56 -1.11 117.00 136.27 3hm8 n LEU 622 Ca 0.04 0.98 -0.16 0.00 -1.11 0.00 0.00 56.01 55.75 3hm8 n LEU 622 Cb 0.48 -1.37 -0.11 0.00 0.53 0.00 0.00 43.42 42.95 3hm8 n LEU 622 CO 0.58 -0.07 -0.02 -0.07 -1.11 0.00 0.00 177.39 176.70 3hm8 h LEU 623 N 9.08 0.00 -7.54 -1.96 3.38 -1.16 0.29 115.31 117.39 3hm8 h LEU 623 Ca -0.48 -0.72 -0.13 0.00 0.09 0.00 0.00 57.88 56.64 3hm8 h LEU 623 Cb 1.27 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.81 3hm8 h LEU 623 CO 0.95 1.16 -0.32 0.20 0.09 0.00 0.00 178.44 180.52 3hm8 s ASN 624 N -6.42 -0.17 0.52 -0.43 0.01 -1.25 -4.51 114.94 102.69 3hm8 s ASN 624 Ca -0.22 0.09 -0.16 0.00 -0.71 0.00 0.00 52.86 51.87 3hm8 s ASN 624 Cb 0.01 0.33 -0.07 0.00 0.41 0.00 0.00 41.25 41.92 3hm8 s ASN 624 CO 0.60 -0.39 0.98 0.26 -1.51 0.00 0.00 177.10 177.03 3hm8 s TRP 625 N -1.16 3.47 0.32 2.20 0.52 -1.26 -4.08 118.94 118.94 3hm8 s TRP 625 Ca -0.12 1.43 0.05 0.00 0.02 0.00 0.00 56.10 57.48 3hm8 s TRP 625 Cb -0.05 -2.76 -0.02 0.00 -1.15 0.00 0.00 33.47 29.48 3hm8 s TRP 625 CO 0.03 -0.38 0.32 0.25 0.02 0.00 0.00 176.95 177.19 3hm8 n THR 626 N -1.66 0.00 0.00 2.01 -2.24 -1.26 -4.99 114.28 106.14 3hm8 n THR 626 Ca 0.06 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 3hm8 n THR 626 Cb 0.54 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3hm8 n THR 626 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hm8 n LYS 627 N -0.59 0.00 -0.32 -0.78 5.02 -1.26 -2.52 118.16 117.71 3hm8 n LYS 627 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3hm8 n LYS 627 Cb 0.57 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.84 3hm8 n LYS 627 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hm8 n GLY 628 N 0.00 2.66 3.87 0.72 0.00 -1.26 -4.87 105.19 106.31 3hm8 n GLY 628 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3hm8 n GLY 628 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hm8 s PHE 629 N -1.11 3.62 0.00 1.61 0.40 -1.05 -4.58 117.98 116.87 3hm8 s PHE 629 Ca 0.40 0.65 0.11 0.00 -0.60 0.00 0.00 56.93 57.48 3hm8 s PHE 629 Cb 0.21 -2.04 0.18 0.00 0.51 0.00 0.00 43.02 41.89 3hm8 s PHE 629 CO 0.26 0.66 1.05 1.63 0.70 0.00 0.00 175.22 179.51 3hm8 n LYS 630 N 1.53 0.00 -1.69 0.44 5.02 -0.85 -4.29 118.16 118.31 3hm8 n LYS 630 Ca -0.14 -1.37 -0.44 0.00 -2.02 0.00 0.00 58.31 54.33 3hm8 n LYS 630 Cb 0.53 0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.73 3hm8 n LYS 630 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hm8 n ALA 631 N 0.21 1.87 -1.76 7.82 0.00 -0.87 -4.62 120.51 123.16 3hm8 n ALA 631 Ca -0.11 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 3hm8 n ALA 631 Cb 0.88 -2.40 0.02 0.00 0.00 0.00 0.00 19.45 17.95 3hm8 n ALA 631 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hm8 s SER 632 N 0.81 6.00 -1.58 0.00 1.04 -0.52 -4.06 113.70 115.39 3hm8 s SER 632 Ca 0.74 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.70 3hm8 s SER 632 Cb -0.60 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.03 3hm8 s SER 632 CO 0.40 -1.02 0.00 0.47 0.98 0.00 0.00 173.24 174.07 3hm8 n ASP 633 N -2.63 -5.18 -0.04 7.02 8.00 -1.26 -1.23 116.55 121.23 3hm8 n ASP 633 Ca 0.07 0.10 -0.05 0.00 0.71 0.00 0.00 54.79 55.62 3hm8 n ASP 633 Cb 0.54 -4.37 -0.04 0.00 -0.02 0.00 0.00 41.12 37.23 3hm8 n ASP 633 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hm8 s GLU 635 N -2.15 4.21 0.00 0.00 2.02 -1.26 -1.45 118.70 120.07 3hm8 s GLU 635 Ca -0.09 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.32 3hm8 s GLU 635 Cb 0.03 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3hm8 s GLU 635 CO 0.19 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.38 3hm8 n GLY 636 N 2.09 0.84 3.85 -1.39 0.00 0.10 -5.01 105.19 105.67 3hm8 n GLY 636 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3hm8 n GLY 636 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hm8 s GLN 637 N -0.24 3.30 -0.07 1.61 -1.52 -0.52 -4.85 119.66 117.36 3hm8 s GLN 637 Ca 0.00 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 3hm8 s GLN 637 Cb 0.00 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 3hm8 s GLN 637 CO 0.00 0.69 1.41 0.34 -0.25 0.00 0.00 175.29 177.48 3hm8 s ASP 638 N -1.66 6.84 0.49 5.90 2.15 -1.26 -1.50 116.67 127.63 3hm8 s ASP 638 Ca 0.23 2.00 0.23 0.00 0.43 0.00 0.00 52.55 55.44 3hm8 s ASP 638 Cb -0.12 -2.55 1.26 0.00 -0.30 0.00 0.00 42.92 41.21 3hm8 s ASP 638 CO 0.14 -0.78 2.02 -0.37 -0.17 0.00 0.00 175.17 176.01 3hm8 h VAL 639 N 5.28 0.75 -0.69 1.11 -1.51 -1.42 -1.00 116.25 118.77 3hm8 h VAL 639 Ca -0.34 -0.66 -0.06 0.00 -1.23 0.00 0.00 66.70 64.40 3hm8 h VAL 639 Cb 1.15 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.69 3hm8 h VAL 639 CO 0.94 0.16 0.19 0.58 -1.23 0.00 0.00 177.57 178.21 3hm8 h VAL 640 N 0.00 1.26 -0.06 7.19 2.07 -1.91 -1.73 116.25 123.07 3hm8 h VAL 640 Ca -0.00 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3hm8 h VAL 640 Cb 0.39 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3hm8 h VAL 640 CO 0.02 0.36 0.00 0.28 0.02 0.00 0.00 177.57 178.25 3hm8 h SER 641 N 1.02 0.11 -1.02 0.57 0.02 -1.62 -1.89 113.55 110.75 3hm8 h SER 641 Ca 0.22 -0.30 0.26 0.00 -0.84 0.00 0.00 61.79 61.13 3hm8 h SER 641 Cb 0.34 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 3hm8 h SER 641 CO -0.00 0.38 0.66 -0.07 -1.14 0.00 0.00 176.83 176.66 3hm8 h LEU 642 N -0.17 0.41 -0.06 5.07 3.38 -1.08 0.10 115.31 122.96 3hm8 h LEU 642 Ca 0.02 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3hm8 h LEU 642 Cb 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hm8 h LEU 642 CO 0.00 0.10 -0.27 0.25 0.09 0.00 0.00 178.44 178.61 3hm8 h LEU 643 N 0.37 0.35 -0.02 1.67 5.85 -1.11 -2.99 115.31 119.43 3hm8 h LEU 643 Ca 0.56 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hm8 h LEU 643 Cb 1.47 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3hm8 h LEU 643 CO -0.24 0.93 -0.32 0.03 -0.34 0.00 0.00 178.44 178.50 3hm8 h ARG 644 N -0.22 -0.44 -1.00 1.25 3.08 -0.05 0.20 114.38 117.20 3hm8 h ARG 644 Ca -0.02 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.24 3hm8 h ARG 644 Cb 0.92 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.97 3hm8 h ARG 644 CO 0.06 -0.29 0.62 0.93 -1.07 0.00 0.00 179.97 180.21 3hm8 h GLU 645 N -0.46 0.74 -0.17 0.04 5.08 -1.16 0.15 114.58 118.81 3hm8 h GLU 645 Ca 0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3hm8 h GLU 645 Cb 0.55 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hm8 h GLU 645 CO -0.28 0.49 -0.36 0.00 -1.00 0.00 0.00 179.01 177.86 3hm8 h ALA 646 N 1.63 0.27 -0.41 3.43 0.00 -1.20 -2.04 119.26 120.93 3hm8 h ALA 646 Ca 0.56 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hm8 h ALA 646 Cb 0.86 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3hm8 h ALA 646 CO -0.34 0.34 0.19 0.82 0.00 0.00 0.00 179.25 180.26 3hm8 h ILE 647 N 0.19 0.95 -0.47 0.00 2.04 0.78 0.29 117.51 121.29 3hm8 h ILE 647 Ca 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3hm8 h ILE 647 Cb 0.96 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3hm8 h ILE 647 CO 0.08 0.07 0.15 0.71 0.00 0.00 0.00 178.15 179.16 3hm8 h THR 648 N 0.39 1.22 0.89 -0.27 1.35 -0.83 0.40 112.91 116.05 3hm8 h THR 648 Ca 0.18 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 3hm8 h THR 648 Cb 0.10 0.81 0.01 0.00 -1.73 0.00 0.00 68.15 67.34 3hm8 h THR 648 CO -0.14 0.27 -0.45 0.03 -0.25 0.00 0.00 175.52 174.98 3hm8 h ARG 649 N 0.63 -1.18 0.00 4.72 3.08 -0.82 -2.36 114.38 118.45 3hm8 h ARG 649 Ca 0.15 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3hm8 h ARG 649 Cb 0.26 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hm8 h ARG 649 CO -0.01 -0.79 0.00 0.54 -1.07 0.00 0.00 179.97 178.65 3hm8 n ARG 650 N -5.62 0.24 -3.55 0.04 1.74 0.96 -4.89 116.66 105.58 3hm8 n ARG 650 Ca -0.16 0.13 -0.19 0.00 -0.77 0.00 0.00 57.85 56.86 3hm8 n ARG 650 Cb 0.49 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.50 3hm8 n ARG 650 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hm8 n GLN 651 N -1.25 -5.83 -1.25 5.56 6.02 0.10 -5.01 117.38 115.72 3hm8 n GLN 651 Ca 0.08 0.74 -0.10 0.00 -0.01 0.00 0.00 57.00 57.71 3hm8 n GLN 651 Cb 0.11 -5.55 0.06 0.00 1.02 0.00 0.00 30.24 25.88 3hm8 n GLN 651 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hm8 n ALA 652 N -4.19 -0.13 -2.04 -1.58 0.00 0.88 -5.00 120.51 108.45 3hm8 n ALA 652 Ca -0.30 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 3hm8 n ALA 652 Cb 0.67 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 3hm8 n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hm8 s VAL 653 N -1.46 3.58 0.18 0.00 1.01 -1.26 -4.84 120.40 117.61 3hm8 s VAL 653 Ca 0.29 1.35 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 3hm8 s VAL 653 Cb -0.01 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 3hm8 s VAL 653 CO 0.19 0.22 1.17 1.21 0.00 0.00 0.00 175.10 177.90 3hm8 n GLU 654 N 2.41 1.20 -2.14 2.72 2.13 -1.26 -4.89 120.64 120.80 3hm8 n GLU 654 Ca 0.04 0.43 -0.42 0.00 0.66 0.00 0.00 57.16 57.87 3hm8 n GLU 654 Cb 0.45 -1.93 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 3hm8 n GLU 654 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3hm8 s LEU 655 N 0.63 4.40 0.00 4.31 0.05 -1.26 -4.82 118.68 121.99 3hm8 s LEU 655 Ca 0.73 2.46 0.00 0.00 0.05 0.00 0.00 54.13 57.37 3hm8 s LEU 655 Cb -0.84 -3.61 0.00 0.00 -2.05 0.00 0.00 46.19 39.69 3hm8 s LEU 655 CO 0.52 -0.61 0.00 -3.20 -0.55 0.00 0.00 176.35 172.51 3hm8 n ASN 656 N 2.91 0.00 -4.64 1.48 5.15 -1.26 -4.97 115.26 113.93 3hm8 n ASN 656 Ca 0.08 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.63 3hm8 n ASN 656 Cb 0.42 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 3hm8 n ASN 656 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3hm8 s VAL 657 N 3.30 3.89 -0.04 3.44 -7.23 -1.26 -4.87 120.40 117.63 3hm8 s VAL 657 Ca 0.00 1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 61.18 3hm8 s VAL 657 Cb 0.00 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 3hm8 s VAL 657 CO 0.00 -0.30 0.02 -0.69 -0.31 0.00 0.00 175.10 173.82 3hm8 s VAL 658 N 4.63 4.39 -0.08 1.32 1.01 -1.26 -1.36 120.40 129.06 3hm8 s VAL 658 Ca 0.65 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3hm8 s VAL 658 Cb -0.23 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3hm8 s VAL 658 CO 0.26 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.71 3hm8 s ALA 659 N -1.02 1.34 -0.23 5.51 0.00 -0.60 -4.19 121.76 122.58 3hm8 s ALA 659 Ca 0.17 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 3hm8 s ALA 659 Cb -0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 3hm8 s ALA 659 CO 0.07 0.05 0.25 0.42 0.00 0.00 0.00 175.76 176.55 3hm8 s ILE 660 N 0.79 5.30 -0.00 0.00 -1.09 0.17 0.16 121.20 126.53 3hm8 s ILE 660 Ca -0.12 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3hm8 s ILE 660 Cb -0.15 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3hm8 s ILE 660 CO 0.02 0.31 -0.03 0.68 -1.23 0.00 0.00 174.94 174.69 3hm8 s VAL 661 N 1.15 0.27 0.48 2.92 -7.23 -0.12 -4.88 120.40 112.98 3hm8 s VAL 661 Ca 0.12 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 3hm8 s VAL 661 Cb -0.14 -0.23 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 3hm8 s VAL 661 CO 0.06 0.08 1.02 0.21 -0.31 0.00 0.00 175.10 176.16 3hm8 s ASN 662 N -0.04 6.44 0.39 4.85 3.84 -1.26 -0.08 114.94 129.09 3hm8 s ASN 662 Ca 0.01 1.88 0.09 0.00 0.21 0.00 0.00 52.86 55.05 3hm8 s ASN 662 Cb -0.02 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 38.99 3hm8 s ASN 662 CO -0.00 -0.71 1.97 -2.24 -2.79 0.00 0.00 177.10 173.33 3hm8 h ASP 663 N 1.60 0.53 0.06 -4.21 2.03 -1.91 0.15 116.42 114.66 3hm8 h ASP 663 Ca -0.49 0.01 0.01 0.00 -0.73 0.00 0.00 57.03 55.82 3hm8 h ASP 663 Cb 1.21 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3hm8 h ASP 663 CO 0.59 0.34 -0.10 0.71 -1.03 0.00 0.00 179.24 179.75 3hm8 h THR 664 N 0.60 0.75 -0.68 1.15 1.35 -1.92 0.15 112.91 114.31 3hm8 h THR 664 Ca 0.29 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.13 3hm8 h THR 664 Cb 0.35 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 3hm8 h THR 664 CO -0.09 0.00 0.36 0.58 -0.25 0.00 0.00 175.52 176.12 3hm8 h VAL 665 N -0.21 1.21 -0.40 6.82 2.07 -1.61 -0.65 116.25 123.48 3hm8 h VAL 665 Ca 0.02 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3hm8 h VAL 665 Cb 0.22 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3hm8 h VAL 665 CO -0.07 0.24 0.20 1.23 0.02 0.00 0.00 177.57 179.19 3hm8 h GLY 666 N 0.93 0.55 0.75 2.17 0.00 -0.38 -1.49 103.07 105.60 3hm8 h GLY 666 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hm8 h GLY 666 CO -0.04 0.10 0.00 -0.84 0.00 0.00 0.00 176.54 175.76 3hm8 h THR 667 N 0.41 1.20 -0.65 4.70 2.02 -0.40 -1.71 112.91 118.48 3hm8 h THR 667 Ca 0.17 -0.59 0.14 0.00 0.77 0.00 0.00 66.41 66.90 3hm8 h THR 667 Cb 0.08 1.59 -0.11 0.00 -1.74 0.00 0.00 68.15 67.97 3hm8 h THR 667 CO -0.12 0.15 -0.02 -0.03 0.37 0.00 0.00 175.52 175.87 3hm8 h MET 668 N -0.24 0.10 -0.02 6.66 -1.53 -0.97 -0.36 114.93 118.57 3hm8 h MET 668 Ca 0.00 -0.01 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 3hm8 h MET 668 Cb 0.25 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.26 3hm8 h MET 668 CO 0.00 0.06 -0.45 0.52 0.14 0.00 0.00 176.91 177.19 3hm8 h MET 669 N 0.10 0.05 -0.02 0.39 2.86 -1.14 0.12 114.93 117.29 3hm8 h MET 669 Ca 0.34 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3hm8 h MET 669 Cb 0.56 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3hm8 h MET 669 CO -0.58 0.49 -0.01 0.77 1.06 0.00 0.00 176.91 178.64 3hm8 h SER 670 N 0.04 0.04 0.80 1.22 0.02 -0.16 -2.35 113.55 113.16 3hm8 h SER 670 Ca -0.00 -0.41 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 3hm8 h SER 670 Cb 0.81 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3hm8 h SER 670 CO 0.06 0.44 -0.29 0.00 -1.14 0.00 0.00 176.83 175.89 3hm8 h GLY 672 N 1.89 0.00 0.26 0.00 0.00 -0.58 -3.08 103.07 101.56 3hm8 h GLY 672 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3hm8 h GLY 672 CO 0.04 0.00 0.39 -1.82 0.00 0.00 0.00 176.54 175.15 3hm8 h TYR 673 N 0.00 0.68 0.00 5.60 3.20 -1.06 -2.93 116.97 122.46 3hm8 h TYR 673 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3hm8 h TYR 673 Cb 0.50 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 3hm8 h TYR 673 CO 0.00 0.17 -0.60 0.39 -1.64 0.00 0.00 178.16 176.48 3hm8 n GLU 674 N -4.90 1.29 -3.25 1.82 1.02 -1.23 -4.92 120.64 110.47 3hm8 n GLU 674 Ca 0.15 -3.06 -0.05 0.00 -0.02 0.00 0.00 57.16 54.19 3hm8 n GLU 674 Cb 0.39 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 3hm8 n GLU 674 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hm8 s ASP 675 N -3.00 -0.49 0.53 1.62 -1.08 -1.11 -5.04 116.67 108.09 3hm8 s ASP 675 Ca 0.37 -0.56 0.23 0.00 -0.52 0.00 0.00 52.55 52.07 3hm8 s ASP 675 Cb 0.37 1.47 1.35 0.00 -1.46 0.00 0.00 42.92 44.66 3hm8 s ASP 675 CO -0.09 -0.28 2.04 -0.65 0.52 0.00 0.00 175.17 176.71 3hm8 h PRO 676 N 7.62 0.01 -0.01 4.34 0.11 -1.89 -1.28 132.00 140.91 3hm8 h PRO 676 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hm8 h PRO 676 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hm8 h PRO 676 CO 0.18 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.52 3hm8 n ARG 677 N -4.42 1.02 -2.64 1.05 5.12 -1.26 -4.74 116.66 110.79 3hm8 n ARG 677 Ca 0.06 -0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 3hm8 n ARG 677 Cb 0.46 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3hm8 n ARG 677 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hm8 n GLU 679 N 8.28 0.90 -3.78 0.00 1.02 -1.10 -4.74 120.64 121.23 3hm8 n GLU 679 Ca 0.06 -1.68 -0.13 0.00 -0.02 0.00 0.00 57.16 55.39 3hm8 n GLU 679 Cb 0.49 -0.98 -0.14 0.00 -0.02 0.00 0.00 31.44 30.78 3hm8 n GLU 679 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hm8 s ILE 680 N -1.34 -0.04 -0.17 -3.67 1.01 -1.24 -1.92 121.20 113.83 3hm8 s ILE 680 Ca 0.14 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 3hm8 s ILE 680 Cb 0.12 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 3hm8 s ILE 680 CO 0.01 0.05 0.01 -0.83 0.00 0.00 0.00 174.94 174.19 3hm8 s GLY 681 N 0.83 1.82 -0.07 6.18 0.00 -0.28 -0.37 107.32 115.43 3hm8 s GLY 681 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.91 3hm8 s GLY 681 CO -0.04 -0.00 -0.19 -2.27 0.00 0.00 0.00 173.10 170.60 3hm8 s LEU 682 N 0.36 1.92 -0.10 0.66 2.96 0.49 -0.74 118.68 124.23 3hm8 s LEU 682 Ca -0.00 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3hm8 s LEU 682 Cb -0.13 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 3hm8 s LEU 682 CO 0.01 0.14 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.31 3hm8 s ILE 683 N 0.26 2.03 -0.40 6.68 -1.09 -0.26 -1.60 121.20 126.83 3hm8 s ILE 683 Ca -0.11 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 3hm8 s ILE 683 Cb -0.15 -1.76 0.16 0.00 -1.58 0.00 0.00 42.46 39.14 3hm8 s ILE 683 CO 0.05 0.55 0.33 -0.69 -1.23 0.00 0.00 174.94 173.96 3hm8 s VAL 684 N 0.32 0.15 0.00 2.92 1.01 -0.26 -1.95 120.40 122.59 3hm8 s VAL 684 Ca -0.18 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3hm8 s VAL 684 Cb -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3hm8 s VAL 684 CO 0.09 -1.06 0.00 0.61 0.00 0.00 0.00 175.10 174.74 3hm8 n GLY 685 N 3.25 3.27 0.18 4.51 0.00 -1.26 -2.12 105.19 113.02 3hm8 n GLY 685 Ca 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3hm8 n GLY 685 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hm8 h THR 686 N 0.00 0.61 -0.82 2.61 2.02 -1.94 0.28 112.91 115.67 3hm8 h THR 686 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 3hm8 h THR 686 Cb 0.00 0.61 -0.12 0.00 -1.74 0.00 0.00 68.15 66.90 3hm8 h THR 686 CO 0.00 0.00 -0.52 -0.83 0.37 0.00 0.00 175.52 174.54 3hm8 s GLY 687 N -2.74 2.80 0.05 2.16 0.00 -1.26 -2.49 107.32 105.85 3hm8 s GLY 687 Ca -0.14 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.54 3hm8 s GLY 687 CO 0.69 -2.14 -0.14 -1.08 0.00 0.00 0.00 173.10 170.43 3hm8 s THR 688 N -2.81 1.08 -0.01 0.90 -1.32 -1.26 -4.10 115.64 108.13 3hm8 s THR 688 Ca 0.18 -1.15 -0.30 0.00 -1.21 0.00 0.00 61.69 59.22 3hm8 s THR 688 Cb 0.04 -1.02 0.11 0.00 -1.51 0.00 0.00 72.50 70.12 3hm8 s THR 688 CO 0.10 -0.12 1.08 0.21 -2.21 0.00 0.00 174.62 173.67 3hm8 s ASN 689 N -1.44 -0.19 0.02 8.08 2.47 -0.82 -3.55 114.94 119.50 3hm8 s ASN 689 Ca -0.01 -0.13 -0.10 0.00 0.42 0.00 0.00 52.86 53.04 3hm8 s ASN 689 Cb -0.09 0.30 0.01 0.00 -1.45 0.00 0.00 41.25 40.02 3hm8 s ASN 689 CO 0.02 -0.52 0.21 0.00 -3.72 0.00 0.00 177.10 173.09 3hm8 s ALA 690 N -2.83 -0.46 0.11 1.71 0.00 -1.26 -1.10 121.76 117.92 3hm8 s ALA 690 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3hm8 s ALA 690 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3hm8 s ALA 690 CO -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 175.76 175.38 3hm8 s TYR 692 N -3.73 -0.45 -0.64 0.00 -0.85 -0.99 -1.12 117.35 109.58 3hm8 s TYR 692 Ca 0.15 0.39 -0.28 0.00 -0.52 0.00 0.00 57.07 56.81 3hm8 s TYR 692 Cb 0.06 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.95 3hm8 s TYR 692 CO -0.03 -0.64 1.32 -1.64 -1.52 0.00 0.00 175.55 173.04 3hm8 s MET 693 N -2.95 3.29 0.28 -3.49 -1.94 -0.81 -0.88 119.30 112.81 3hm8 s MET 693 Ca 0.01 0.14 -0.06 0.00 -1.71 0.00 0.00 55.69 54.08 3hm8 s MET 693 Cb -0.01 -4.12 -0.05 0.00 2.01 0.00 0.00 34.83 32.65 3hm8 s MET 693 CO -0.07 -1.98 0.56 -2.00 -0.01 0.00 0.00 175.02 171.52 3hm8 s GLU 694 N 5.50 3.66 0.19 2.03 2.56 -0.32 -4.86 118.70 127.46 3hm8 s GLU 694 Ca 0.44 0.05 -0.30 0.00 0.00 0.00 0.00 54.97 55.16 3hm8 s GLU 694 Cb -0.09 -2.64 -0.08 0.00 2.00 0.00 0.00 34.13 33.32 3hm8 s GLU 694 CO 0.21 0.22 1.18 -1.21 -0.56 0.00 0.00 175.26 175.10 3hm8 s GLU 695 N -3.46 4.51 0.39 4.30 0.41 -1.26 -0.67 118.70 122.91 3hm8 s GLU 695 Ca 0.45 1.85 0.06 0.00 -0.41 0.00 0.00 54.97 56.92 3hm8 s GLU 695 Cb -0.11 -3.24 0.79 0.00 -1.78 0.00 0.00 34.13 29.79 3hm8 s GLU 695 CO 0.29 -0.06 2.03 1.25 -0.49 0.00 0.00 175.26 178.28 3hm8 h LEU 696 N 5.18 0.56 -2.17 1.80 5.85 -1.04 -1.32 115.31 124.17 3hm8 h LEU 696 Ca -0.45 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3hm8 h LEU 696 Cb 1.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3hm8 h LEU 696 CO 0.74 0.40 0.10 0.08 -0.34 0.00 0.00 178.44 179.42 3hm8 h ARG 697 N 0.65 0.00 0.00 1.25 0.11 -1.74 -2.29 114.38 112.36 3hm8 h ARG 697 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3hm8 h ARG 697 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3hm8 h ARG 697 CO -0.05 0.00 -0.50 0.09 0.10 0.00 0.00 179.97 179.61 3hm8 n ASN 698 N -4.17 0.69 -4.45 0.08 5.03 -0.50 -4.61 115.26 107.33 3hm8 n ASN 698 Ca -0.00 0.19 -0.44 0.00 0.87 0.00 0.00 54.58 55.20 3hm8 n ASN 698 Cb 0.22 -0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 38.95 3hm8 n ASN 698 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hm8 s VAL 699 N -3.14 4.79 0.48 2.41 1.01 -0.86 -4.49 120.40 120.59 3hm8 s VAL 699 Ca 0.07 -1.79 0.14 0.00 0.00 0.00 0.00 61.98 60.40 3hm8 s VAL 699 Cb 0.14 -4.81 0.23 0.00 0.00 0.00 0.00 36.38 31.94 3hm8 s VAL 699 CO 0.69 -1.53 2.08 0.00 0.00 0.00 0.00 175.10 176.34 3hm8 h ALA 700 N 8.49 1.85 -0.22 5.51 0.00 -1.66 -2.78 119.26 130.45 3hm8 h ALA 700 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hm8 h ALA 700 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hm8 h ALA 700 CO 1.14 0.12 -0.04 0.78 0.00 0.00 0.00 179.25 181.24 3hm8 h GLY 701 N 0.26 0.37 -4.00 0.00 0.00 -1.91 -3.44 103.07 94.35 3hm8 h GLY 701 Ca 0.01 -0.21 -0.54 0.00 0.00 0.00 0.00 47.33 46.60 3hm8 h GLY 701 CO 0.01 0.19 -0.45 0.14 0.00 0.00 0.00 176.54 176.44 3hm8 s VAL 702 N -4.90 5.31 0.56 4.60 1.01 -1.05 -5.11 120.40 120.82 3hm8 s VAL 702 Ca -0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3hm8 s VAL 702 Cb 0.16 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3hm8 s VAL 702 CO 0.74 -0.11 0.87 -2.16 0.00 0.00 0.00 175.10 174.44 3hm8 s PRO 703 N -3.26 3.11 0.00 2.72 0.04 -1.26 -4.93 135.00 131.42 3hm8 s PRO 703 Ca 0.35 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3hm8 s PRO 703 Cb -0.11 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3hm8 s PRO 703 CO 0.29 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3hm8 n GLY 704 N -2.49 2.23 0.40 0.56 0.00 -1.26 -5.05 105.19 99.59 3hm8 n GLY 704 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3hm8 n GLY 704 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hm8 n ASP 705 N 0.00 1.95 -4.71 1.61 10.43 -1.26 -4.34 116.55 120.23 3hm8 n ASP 705 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 3hm8 n ASP 705 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3hm8 n ASP 705 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hm8 s SER 706 N -4.11 6.80 0.00 -2.24 1.04 -1.26 -3.16 113.70 110.78 3hm8 s SER 706 Ca 0.00 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.75 3hm8 s SER 706 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3hm8 s SER 706 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3hm8 n GLY 707 N 3.57 -1.69 3.27 7.32 0.00 -1.26 -4.87 105.19 111.54 3hm8 n GLY 707 Ca 0.12 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 3hm8 n GLY 707 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hm8 s ARG 708 N 0.00 1.24 -0.17 1.61 1.70 -1.26 -0.54 118.95 121.53 3hm8 s ARG 708 Ca 0.00 -1.52 -0.15 0.00 -0.47 0.00 0.00 55.73 53.58 3hm8 s ARG 708 Cb 0.00 0.31 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3hm8 s ARG 708 CO 0.00 -0.43 0.44 1.41 -1.08 0.00 0.00 175.30 175.64 3hm8 s MET 709 N -4.12 0.52 0.31 3.89 1.75 0.15 -4.45 119.30 117.36 3hm8 s MET 709 Ca 0.34 0.62 -0.29 0.00 -1.25 0.00 0.00 55.69 55.11 3hm8 s MET 709 Cb 0.05 0.25 -0.10 0.00 2.84 0.00 0.00 34.83 37.87 3hm8 s MET 709 CO 0.10 -0.06 1.31 0.00 -0.65 0.00 0.00 175.02 175.72 3hm8 s ILE 711 N -0.96 1.80 -0.55 0.00 1.01 -0.05 -2.52 121.20 119.92 3hm8 s ILE 711 Ca 0.50 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 3hm8 s ILE 711 Cb -0.39 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.51 3hm8 s ILE 711 CO 0.51 0.50 1.02 0.21 0.00 0.00 0.00 174.94 177.18 3hm8 s ASN 712 N 0.84 6.39 0.33 3.58 2.47 -0.11 -2.34 114.94 126.10 3hm8 s ASN 712 Ca -0.08 -0.16 0.04 0.00 0.42 0.00 0.00 52.86 53.08 3hm8 s ASN 712 Cb -0.15 -2.48 0.58 0.00 -1.45 0.00 0.00 41.25 37.75 3hm8 s ASN 712 CO -0.01 -1.29 1.85 0.24 -3.72 0.00 0.00 177.10 174.17 3hm8 h MET 713 N 9.37 0.51 -6.04 0.43 2.86 -1.67 0.18 114.93 120.56 3hm8 h MET 713 Ca -0.26 -0.12 -0.39 0.00 -2.06 0.00 0.00 59.70 56.87 3hm8 h MET 713 Cb 1.07 -0.07 0.09 0.00 0.06 0.00 0.00 31.60 32.75 3hm8 h MET 713 CO 1.11 0.57 -0.89 0.39 1.06 0.00 0.00 176.91 179.16 3hm8 n GLU 714 N -4.26 -2.67 0.00 1.72 -0.58 -1.26 -2.85 120.64 110.75 3hm8 n GLU 714 Ca 0.01 0.59 0.13 0.00 -0.42 0.00 0.00 57.16 57.46 3hm8 n GLU 714 Cb 0.27 -4.81 0.65 0.00 -0.57 0.00 0.00 31.44 26.98 3hm8 n GLU 714 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3hm8 n TRP 715 N -4.03 0.00 -0.29 -0.32 2.14 -1.26 -2.97 117.44 110.71 3hm8 n TRP 715 Ca -0.16 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.46 3hm8 n TRP 715 Cb 0.63 -0.28 0.27 0.00 -0.81 0.00 0.00 31.31 31.12 3hm8 n TRP 715 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3hm8 h GLY 716 N 4.26 1.30 -0.75 -1.67 0.00 -1.90 -0.91 103.07 103.40 3hm8 h GLY 716 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hm8 h GLY 716 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.80 3hm8 n ALA 717 N -2.40 2.50 -1.76 3.60 0.00 -1.16 -1.25 120.51 120.04 3hm8 n ALA 717 Ca 0.14 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3hm8 n ALA 717 Cb 0.24 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3hm8 n ALA 717 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hm8 s PHE 718 N -1.73 2.74 0.00 0.00 5.36 -0.35 -1.91 117.98 122.09 3hm8 s PHE 718 Ca 0.12 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 3hm8 s PHE 718 Cb 0.07 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 3hm8 s PHE 718 CO 0.08 -3.68 0.00 0.41 -1.46 0.00 0.00 175.22 170.57 3hm8 n GLY 719 N 2.23 0.80 0.30 13.12 0.00 -1.26 -2.39 105.19 117.99 3hm8 n GLY 719 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3hm8 n GLY 719 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hm8 h ASP 720 N 0.00 0.00 0.05 1.61 5.19 -1.68 0.18 116.42 121.78 3hm8 h ASP 720 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hm8 h ASP 720 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hm8 h ASP 720 CO 0.00 0.03 0.00 -0.90 -3.12 0.00 0.00 179.24 175.25 3hm8 n ASP 721 N -3.29 0.00 0.00 6.45 5.68 -1.26 -4.87 116.55 119.26 3hm8 n ASP 721 Ca -0.02 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 3hm8 n ASP 721 Cb 0.18 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3hm8 n ASP 721 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hm8 n GLY 722 N 0.55 0.65 0.04 6.12 0.00 0.63 -4.95 105.19 108.23 3hm8 n GLY 722 Ca 0.18 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3hm8 n GLY 722 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hm8 n SER 723 N 0.27 0.26 -1.68 1.61 3.41 -1.23 -2.83 113.62 113.43 3hm8 n SER 723 Ca 0.00 0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 59.00 3hm8 n SER 723 Cb 0.00 -0.60 0.17 0.00 -0.26 0.00 0.00 64.21 63.51 3hm8 n SER 723 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hm8 n LEU 724 N -1.76 5.37 0.03 1.04 4.77 -1.26 -4.56 117.00 120.64 3hm8 n LEU 724 Ca 0.05 -3.88 0.01 0.00 -0.03 0.00 0.00 56.01 52.17 3hm8 n LEU 724 Cb 0.28 -0.71 0.35 0.00 -2.33 0.00 0.00 43.42 41.01 3hm8 n LEU 724 CO 0.22 1.30 0.97 0.00 -1.33 0.00 0.00 177.39 178.55 3hm8 h ALA 725 N 1.20 1.48 -0.91 -1.18 0.00 -1.86 -1.92 119.26 116.08 3hm8 h ALA 725 Ca 0.40 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.36 3hm8 h ALA 725 Cb 1.92 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 3hm8 h ALA 725 CO 0.77 0.38 0.43 0.00 0.00 0.00 0.00 179.25 180.83 3hm8 h MET 726 N 0.44 0.44 0.14 0.00 -0.00 -1.87 -3.15 114.93 110.94 3hm8 h MET 726 Ca 0.10 -0.03 -0.33 0.00 -0.00 0.00 0.00 59.70 59.44 3hm8 h MET 726 Cb 0.26 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 3hm8 h MET 726 CO 0.00 0.29 -1.74 -0.07 -0.00 0.00 0.00 176.91 175.40 3hm8 h LEU 727 N 0.46 0.46 -9.20 -0.10 3.38 -1.72 -3.47 115.31 105.11 3hm8 h LEU 727 Ca 0.56 -0.90 -0.71 0.00 0.09 0.00 0.00 57.88 56.92 3hm8 h LEU 727 Cb 1.03 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 41.66 3hm8 h LEU 727 CO -0.50 1.76 0.77 -1.20 0.09 0.00 0.00 178.44 179.37 3hm8 n SER 728 N -3.67 2.25 -4.82 -0.43 7.64 -0.96 -4.96 113.62 108.66 3hm8 n SER 728 Ca -0.28 1.08 -0.24 0.00 1.01 0.00 0.00 58.87 60.44 3hm8 n SER 728 Cb 1.00 -1.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.10 3hm8 n SER 728 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hm8 s THR 729 N 2.55 2.32 0.48 0.44 -4.23 -1.26 -4.95 115.64 110.99 3hm8 s THR 729 Ca 0.93 -0.41 0.15 0.00 -1.18 0.00 0.00 61.69 61.18 3hm8 s THR 729 Cb -1.00 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 70.15 3hm8 s THR 729 CO 0.58 0.00 2.06 0.08 -0.54 0.00 0.00 174.62 176.80 3hm8 h ARG 730 N -0.50 0.00 -0.13 3.99 0.11 -1.99 -2.14 114.38 113.71 3hm8 h ARG 730 Ca -0.42 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.45 3hm8 h ARG 730 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3hm8 h ARG 730 CO 0.52 0.11 -0.76 0.74 0.10 0.00 0.00 179.97 180.68 3hm8 h PHE 731 N 0.00 0.87 -0.56 4.08 0.04 -1.94 -0.80 116.94 118.64 3hm8 h PHE 731 Ca -0.00 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.38 3hm8 h PHE 731 Cb 0.19 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3hm8 h PHE 731 CO 0.00 1.19 0.35 -0.44 -0.60 0.00 0.00 178.31 178.81 3hm8 h ASP 732 N 0.44 0.66 0.26 2.17 3.32 -1.85 -1.82 116.42 119.60 3hm8 h ASP 732 Ca -0.04 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3hm8 h ASP 732 Cb 1.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hm8 h ASP 732 CO 0.15 0.51 -0.20 0.00 -1.72 0.00 0.00 179.24 177.98 3hm8 h ALA 733 N 1.18 -0.45 -0.61 3.45 0.00 -1.20 -1.17 119.26 120.46 3hm8 h ALA 733 Ca 0.20 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3hm8 h ALA 733 Cb -0.04 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3hm8 h ALA 733 CO -0.04 -0.77 0.18 1.03 0.00 0.00 0.00 179.25 179.64 3hm8 h SER 734 N -0.47 0.10 0.01 0.00 0.87 -1.01 -1.14 113.55 111.91 3hm8 h SER 734 Ca -0.02 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hm8 h SER 734 Cb 0.41 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hm8 h SER 734 CO -0.01 0.06 -0.00 0.58 -0.53 0.00 0.00 176.83 176.92 3hm8 h VAL 735 N 0.32 1.02 0.23 2.23 2.07 -1.15 -2.21 116.25 118.76 3hm8 h VAL 735 Ca 0.32 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.75 3hm8 h VAL 735 Cb 0.45 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3hm8 h VAL 735 CO -0.37 0.02 -0.20 -0.78 0.02 0.00 0.00 177.57 176.27 3hm8 h ASP 736 N -0.05 -0.52 -0.39 0.57 3.58 -0.56 -2.16 116.42 116.89 3hm8 h ASP 736 Ca -0.00 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.52 3hm8 h ASP 736 Cb 0.05 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3hm8 h ASP 736 CO 0.00 -0.30 0.26 1.56 -2.88 0.00 0.00 179.24 177.88 3hm8 h GLN 737 N -0.44 0.39 -0.01 0.28 4.20 -1.27 -1.04 115.11 117.22 3hm8 h GLN 737 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hm8 h GLN 737 Cb 0.40 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3hm8 h GLN 737 CO -0.03 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 3hm8 n ALA 738 N -2.50 2.63 -2.44 3.87 0.00 -0.83 -4.84 120.51 116.40 3hm8 n ALA 738 Ca 0.04 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 3hm8 n ALA 738 Cb 0.16 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3hm8 n ALA 738 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hm8 s SER 739 N -1.77 5.95 0.27 0.00 1.04 -0.39 -5.00 113.70 113.81 3hm8 s SER 739 Ca 0.37 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.94 3hm8 s SER 739 Cb 0.17 -1.50 0.62 0.00 0.10 0.00 0.00 66.02 65.41 3hm8 s SER 739 CO 0.29 -0.54 1.73 0.40 0.98 0.00 0.00 173.24 176.09 3hm8 h ILE 740 N 0.64 0.60 -2.34 -1.02 2.04 -1.90 -3.30 117.51 112.22 3hm8 h ILE 740 Ca -0.47 -0.17 -0.60 0.00 1.00 0.00 0.00 64.86 64.62 3hm8 h ILE 740 Cb 1.25 0.06 -0.42 0.00 -0.74 0.00 0.00 36.82 36.97 3hm8 h ILE 740 CO 0.56 0.09 -0.60 -0.46 0.00 0.00 0.00 178.15 177.74 3hm8 n ASN 741 N -4.97 3.54 -4.77 1.72 6.94 -1.26 -5.09 115.26 111.37 3hm8 n ASN 741 Ca 0.19 -3.38 -0.41 0.00 -0.02 0.00 0.00 54.58 50.96 3hm8 n ASN 741 Cb 0.54 -0.68 -0.00 0.00 -2.36 0.00 0.00 39.78 37.27 3hm8 n ASN 741 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 3hm8 s PRO 742 N -2.27 4.09 0.00 -0.53 0.02 -1.25 -1.81 135.00 133.26 3hm8 s PRO 742 Ca 0.37 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3hm8 s PRO 742 Cb 0.12 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3hm8 s PRO 742 CO -0.04 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3hm8 n GLY 743 N 0.90 2.98 3.92 0.52 0.00 -1.26 -5.01 105.19 107.24 3hm8 n GLY 743 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3hm8 n GLY 743 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hm8 s LYS 744 N -0.16 3.53 -1.45 1.61 3.01 -0.75 -4.53 119.74 121.00 3hm8 s LYS 744 Ca 0.00 -0.29 -0.06 0.00 -1.01 0.00 0.00 55.97 54.61 3hm8 s LYS 744 Cb 0.00 -2.89 0.04 0.00 -1.01 0.00 0.00 37.83 33.97 3hm8 s LYS 744 CO 0.00 0.47 0.69 1.04 0.51 0.00 0.00 175.35 178.06 3hm8 n GLN 745 N -0.22 -4.29 -0.12 1.68 1.13 -1.26 -4.89 117.38 109.41 3hm8 n GLN 745 Ca -0.04 0.51 -0.10 0.00 -1.94 0.00 0.00 57.00 55.43 3hm8 n GLN 745 Cb 0.53 -5.03 -0.02 0.00 0.11 0.00 0.00 30.24 25.83 3hm8 n GLN 745 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hm8 h ARG 746 N -1.86 0.54 -0.54 -1.09 3.08 -1.74 -2.22 114.38 110.55 3hm8 h ARG 746 Ca -0.61 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.28 3hm8 h ARG 746 Cb 1.37 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3hm8 h ARG 746 CO 0.64 0.55 0.13 0.35 -1.07 0.00 0.00 179.97 180.57 3hm8 h PHE 747 N 0.42 0.85 -0.56 3.04 3.57 -1.06 -2.23 116.94 120.97 3hm8 h PHE 747 Ca 0.12 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3hm8 h PHE 747 Cb 0.22 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3hm8 h PHE 747 CO 0.00 0.71 0.20 1.49 -2.23 0.00 0.00 178.31 178.49 3hm8 h GLU 748 N 0.80 0.83 0.00 1.11 4.81 -0.95 -2.76 114.58 118.41 3hm8 h GLU 748 Ca 0.18 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hm8 h GLU 748 Cb 0.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3hm8 h GLU 748 CO -0.00 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.61 3hm8 n LYS 749 N -4.31 0.22 -0.06 1.92 5.02 -0.84 -1.54 118.16 118.57 3hm8 n LYS 749 Ca 0.05 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 3hm8 n LYS 749 Cb 0.18 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.80 3hm8 n LYS 749 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hm8 n MET 750 N -1.32 1.79 0.00 1.97 2.81 -1.04 -4.60 117.12 116.73 3hm8 n MET 750 Ca 0.08 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 3hm8 n MET 750 Cb 0.16 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3hm8 n MET 750 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hm8 n ILE 751 N 1.05 0.00 -2.08 2.02 5.41 -0.81 -4.16 119.36 120.79 3hm8 n ILE 751 Ca 0.12 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.57 3hm8 n ILE 751 Cb 0.47 -0.72 0.01 0.00 -0.71 0.00 0.00 39.64 38.69 3hm8 n ILE 751 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hm8 s SER 752 N -4.74 6.18 0.43 4.38 1.04 -0.59 -4.78 113.70 115.62 3hm8 s SER 752 Ca 0.00 1.26 0.14 0.00 0.48 0.00 0.00 55.95 57.83 3hm8 s SER 752 Cb 0.00 -2.36 1.03 0.00 0.10 0.00 0.00 66.02 64.79 3hm8 s SER 752 CO 0.00 -0.83 1.97 1.23 0.98 0.00 0.00 173.24 176.60 3hm8 h GLY 753 N -0.20 0.59 1.71 7.32 0.00 -0.49 -1.60 103.07 110.40 3hm8 h GLY 753 Ca -0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3hm8 h GLY 753 CO 0.62 0.10 0.03 1.98 0.00 0.00 0.00 176.54 179.27 3hm8 h MET 754 N 0.41 0.37 0.00 4.80 1.85 -1.65 -3.36 114.93 117.36 3hm8 h MET 754 Ca 0.28 -0.06 -0.20 0.00 -0.61 0.00 0.00 59.70 59.12 3hm8 h MET 754 Cb 0.56 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.49 3hm8 h MET 754 CO -0.08 0.37 -1.75 0.66 -0.40 0.00 0.00 176.91 175.72 3hm8 n TYR 755 N -4.36 0.00 -0.06 1.39 4.01 -0.69 -4.71 117.16 112.74 3hm8 n TYR 755 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3hm8 n TYR 755 Cb 0.18 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 3hm8 n TYR 755 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hm8 h LEU 756 N 0.00 -0.29 -1.73 7.72 3.38 -1.48 -0.69 115.31 122.23 3hm8 h LEU 756 Ca -0.30 0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.04 3hm8 h LEU 756 Cb 1.65 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 3hm8 h LEU 756 CO 0.01 -0.11 0.71 1.23 0.09 0.00 0.00 178.44 180.37 3hm8 h GLY 757 N -0.03 0.51 1.36 0.83 0.00 -1.76 0.13 103.07 104.12 3hm8 h GLY 757 Ca 0.13 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.10 3hm8 h GLY 757 CO -0.28 -0.05 -1.12 0.83 0.00 0.00 0.00 176.54 175.92 3hm8 h GLU 758 N 0.18 0.54 -0.80 4.80 4.39 -1.37 -2.66 114.58 119.66 3hm8 h GLU 758 Ca 0.53 -0.67 0.09 0.00 0.34 0.00 0.00 59.36 59.65 3hm8 h GLU 758 Cb 1.74 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 30.52 3hm8 h GLU 758 CO -0.12 1.27 0.45 0.82 -1.16 0.00 0.00 179.01 180.27 3hm8 h ILE 759 N 0.27 0.91 0.16 3.13 2.04 -0.26 -1.18 117.51 122.59 3hm8 h ILE 759 Ca -0.14 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3hm8 h ILE 759 Cb 1.78 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3hm8 h ILE 759 CO 0.21 0.14 -0.08 0.58 0.00 0.00 0.00 178.15 179.00 3hm8 h VAL 760 N 0.77 0.86 -0.65 1.67 2.07 -1.40 -2.66 116.25 116.91 3hm8 h VAL 760 Ca 0.39 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.91 3hm8 h VAL 760 Cb 0.35 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 3hm8 h VAL 760 CO -0.24 0.02 0.27 -0.09 0.02 0.00 0.00 177.57 177.55 3hm8 h ARG 761 N -0.26 0.46 -0.66 1.57 2.43 -0.89 0.09 114.38 117.12 3hm8 h ARG 761 Ca -0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3hm8 h ARG 761 Cb 0.21 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3hm8 h ARG 761 CO 0.04 0.30 0.11 0.45 -1.51 0.00 0.00 179.97 179.36 3hm8 h HIS 762 N 0.47 1.14 -0.04 2.20 3.86 -1.25 -0.40 115.15 121.13 3hm8 h HIS 762 Ca 0.33 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3hm8 h HIS 762 Cb 0.40 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3hm8 h HIS 762 CO -0.15 0.95 -0.07 0.82 0.86 0.00 0.00 177.93 180.35 3hm8 h ILE 763 N 1.01 0.81 -0.72 2.45 2.04 -0.81 0.14 117.51 122.42 3hm8 h ILE 763 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 3hm8 h ILE 763 Cb 0.43 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3hm8 h ILE 763 CO 0.01 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.52 3hm8 h LEU 764 N -0.10 0.66 -0.32 1.44 3.38 -0.72 0.80 115.31 120.44 3hm8 h LEU 764 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hm8 h LEU 764 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hm8 h LEU 764 CO -0.10 0.43 0.21 -0.07 0.09 0.00 0.00 178.44 178.99 3hm8 h LEU 765 N 0.79 0.37 -0.42 1.67 3.38 -0.59 -0.40 115.31 120.10 3hm8 h LEU 765 Ca 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hm8 h LEU 765 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hm8 h LEU 765 CO -0.17 0.27 0.27 -0.74 0.09 0.00 0.00 178.44 178.17 3hm8 h HIS 766 N 0.43 0.54 -0.70 1.13 2.76 0.04 -2.34 115.15 117.00 3hm8 h HIS 766 Ca 0.12 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3hm8 h HIS 766 Cb -0.04 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 3hm8 h HIS 766 CO -0.05 0.35 0.44 -0.07 -1.30 0.00 0.00 177.93 177.30 3hm8 h LEU 767 N 0.57 0.83 -0.54 0.26 3.38 -0.59 -1.81 115.31 117.40 3hm8 h LEU 767 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hm8 h LEU 767 Cb -0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hm8 h LEU 767 CO -0.03 0.63 0.31 0.71 0.09 0.00 0.00 178.44 180.15 3hm8 h THR 768 N 0.95 1.17 0.00 0.22 1.35 -0.88 -2.11 112.91 113.62 3hm8 h THR 768 Ca 0.25 -0.42 -0.04 0.00 -0.55 0.00 0.00 66.41 65.65 3hm8 h THR 768 Cb -0.06 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 3hm8 h THR 768 CO -0.05 0.18 -0.19 0.77 -0.25 0.00 0.00 175.52 175.98 3hm8 h SER 769 N 0.73 0.00 1.02 5.36 4.64 -1.07 -1.07 113.55 123.16 3hm8 h SER 769 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hm8 h SER 769 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hm8 h SER 769 CO -0.03 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 3hm8 n LEU 770 N -3.86 0.07 0.00 5.97 4.77 -0.71 -4.92 117.00 118.31 3hm8 n LEU 770 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3hm8 n LEU 770 Cb 0.29 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3hm8 n LEU 770 CO 0.33 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3hm8 n GLY 771 N 1.44 0.80 0.12 -0.72 0.00 -0.41 -4.95 105.19 101.48 3hm8 n GLY 771 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hm8 n GLY 771 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hm8 h VAL 772 N 0.00 1.02 -3.07 1.61 2.07 -1.60 -3.36 116.25 112.91 3hm8 h VAL 772 Ca 0.00 -0.84 -0.64 0.00 0.82 0.00 0.00 66.70 66.04 3hm8 h VAL 772 Cb 0.00 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3hm8 h VAL 772 CO 0.00 0.19 -0.56 -0.22 0.02 0.00 0.00 177.57 177.00 3hm8 s LEU 773 N -9.38 4.00 -1.39 2.57 2.96 -1.19 -4.46 118.68 111.79 3hm8 s LEU 773 Ca -0.15 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3hm8 s LEU 773 Cb 0.02 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.14 3hm8 s LEU 773 CO 0.60 0.20 0.00 0.49 -1.32 0.00 0.00 176.35 176.32 3hm8 n PHE 774 N 0.60 -0.13 -2.12 5.38 3.72 -1.26 -2.42 117.46 121.23 3hm8 n PHE 774 Ca -0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 3hm8 n PHE 774 Cb 0.52 -2.75 -0.03 0.00 -0.94 0.00 0.00 39.48 36.28 3hm8 n PHE 774 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3hm8 n ARG 775 N -1.42 -1.70 0.00 -1.08 1.85 -1.26 -1.68 116.66 111.36 3hm8 n ARG 775 Ca -0.13 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.67 3hm8 n ARG 775 Cb 0.53 -5.50 0.00 0.00 -1.05 0.00 0.00 32.46 26.44 3hm8 n ARG 775 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hm8 n GLY 776 N -0.75 2.54 3.52 2.89 0.00 -1.02 -4.97 105.19 107.40 3hm8 n GLY 776 Ca -0.21 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.21 3hm8 n GLY 776 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm8 n GLN 777 N 0.00 0.72 -2.83 1.61 10.64 -0.68 -4.77 117.38 122.07 3hm8 n GLN 777 Ca 0.00 0.25 -0.43 0.00 -1.83 0.00 0.00 57.00 55.00 3hm8 n GLN 777 Cb 0.00 -1.58 -0.04 0.00 -0.86 0.00 0.00 30.24 27.75 3hm8 n GLN 777 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3hm8 s GLN 778 N -0.74 3.31 -0.96 2.61 -1.52 -1.26 -4.87 119.66 116.22 3hm8 s GLN 778 Ca 0.70 -0.31 -0.20 0.00 -1.95 0.00 0.00 55.36 53.60 3hm8 s GLN 778 Cb -0.90 -4.07 0.10 0.00 -0.22 0.00 0.00 33.01 27.92 3hm8 s GLN 778 CO 0.55 -1.52 1.24 0.96 -0.25 0.00 0.00 175.29 176.27 3hm8 s ILE 779 N 3.99 4.43 0.34 1.08 -4.36 -1.26 -4.89 121.20 120.53 3hm8 s ILE 779 Ca 0.30 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.46 3hm8 s ILE 779 Cb -0.13 -4.88 0.29 0.00 1.25 0.00 0.00 42.46 38.99 3hm8 s ILE 779 CO 0.18 -1.67 1.93 -0.61 0.24 0.00 0.00 174.94 175.02 3hm8 h GLN 780 N 9.19 0.81 -1.02 0.37 4.15 -1.98 -0.30 115.11 126.33 3hm8 h GLN 780 Ca 0.17 -0.05 0.29 0.00 0.77 0.00 0.00 58.65 59.83 3hm8 h GLN 780 Cb 1.02 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 3hm8 h GLN 780 CO 1.23 0.54 0.73 -0.09 -1.93 0.00 0.00 178.83 179.30 3hm8 h ARG 781 N 0.83 0.04 0.00 1.69 9.65 -1.90 0.41 114.38 125.11 3hm8 h ARG 781 Ca 0.36 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.21 3hm8 h ARG 781 Cb 0.30 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3hm8 h ARG 781 CO -0.13 0.03 -0.09 1.25 2.80 0.00 0.00 179.97 183.83 3hm8 h LEU 782 N 0.04 0.00 -0.99 3.80 5.85 -1.40 -2.02 115.31 120.59 3hm8 h LEU 782 Ca 0.49 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 3hm8 h LEU 782 Cb 1.90 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 3hm8 h LEU 782 CO -0.03 0.09 -0.00 1.56 -0.34 0.00 0.00 178.44 179.71 3hm8 h GLN 783 N 0.00 0.00 -6.46 1.25 1.08 -0.29 -3.45 115.11 107.24 3hm8 h GLN 783 Ca -0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.66 3hm8 h GLN 783 Cb 0.50 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3hm8 h GLN 783 CO 0.01 0.00 0.89 0.99 -0.95 0.00 0.00 178.83 179.77 3hm8 s THR 784 N -3.52 3.26 0.43 -0.54 2.01 -0.76 -4.98 115.64 111.53 3hm8 s THR 784 Ca 0.03 0.76 -0.24 0.00 0.31 0.00 0.00 61.69 62.55 3hm8 s THR 784 Cb 0.08 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.02 3hm8 s THR 784 CO 0.59 0.01 1.12 -0.13 -0.69 0.00 0.00 174.62 175.52 3hm8 s ARG 785 N 2.15 3.96 -1.37 4.92 0.52 -1.26 -4.14 118.95 123.74 3hm8 s ARG 785 Ca 0.69 1.67 -0.08 0.00 -0.52 0.00 0.00 55.73 57.48 3hm8 s ARG 785 Cb -0.37 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3hm8 s ARG 785 CO 0.30 -0.35 1.12 -0.25 0.02 0.00 0.00 175.30 176.14 3hm8 n ASP 786 N -0.25 -5.50 0.05 0.23 8.00 -1.26 -4.92 116.55 112.89 3hm8 n ASP 786 Ca 0.06 -0.59 -0.10 0.00 0.71 0.00 0.00 54.79 54.86 3hm8 n ASP 786 Cb 0.49 -4.85 -0.13 0.00 -0.02 0.00 0.00 41.12 36.61 3hm8 n ASP 786 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3hm8 h ILE 787 N -2.50 1.37 -3.09 0.53 3.07 -1.92 -3.41 117.51 111.55 3hm8 h ILE 787 Ca -0.58 -3.08 -0.74 0.00 1.55 0.00 0.00 64.86 62.01 3hm8 h ILE 787 Cb 1.37 2.74 -0.22 0.00 -0.27 0.00 0.00 36.82 40.44 3hm8 h ILE 787 CO 0.57 0.82 0.48 -0.36 -1.05 0.00 0.00 178.15 178.62 3hm8 s PHE 788 N -2.66 3.44 0.49 0.16 0.08 -1.26 -5.00 117.98 113.23 3hm8 s PHE 788 Ca -0.03 -1.70 -0.02 0.00 0.12 0.00 0.00 56.93 55.30 3hm8 s PHE 788 Cb 0.09 -4.06 -0.00 0.00 -0.57 0.00 0.00 43.02 38.47 3hm8 s PHE 788 CO 0.83 -1.25 0.75 0.15 -0.10 0.00 0.00 175.22 175.61 3hm8 s LYS 789 N 1.44 3.07 0.17 0.44 1.02 -1.26 -3.86 119.74 120.76 3hm8 s LYS 789 Ca 0.26 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.80 3hm8 s LYS 789 Cb -0.07 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.90 3hm8 s LYS 789 CO -0.09 -0.39 1.65 1.15 -0.92 0.00 0.00 175.35 176.75 3hm8 h THR 790 N 0.21 0.50 -0.92 2.17 2.02 -1.97 0.45 112.91 115.37 3hm8 h THR 790 Ca -0.46 0.00 0.19 0.00 0.77 0.00 0.00 66.41 66.91 3hm8 h THR 790 Cb 1.25 0.50 -0.11 0.00 -1.74 0.00 0.00 68.15 68.05 3hm8 h THR 790 CO 0.59 0.00 0.49 0.11 0.37 0.00 0.00 175.52 177.08 3hm8 h LYS 791 N -0.05 0.58 0.15 6.66 1.57 -1.96 0.44 116.57 123.96 3hm8 h LYS 791 Ca 0.21 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3hm8 h LYS 791 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hm8 h LYS 791 CO -0.47 0.38 -0.07 0.35 -0.57 0.00 0.00 179.45 179.07 3hm8 h PHE 792 N 0.60 -0.19 -0.75 -1.35 3.57 -1.25 -2.58 116.94 114.99 3hm8 h PHE 792 Ca 0.54 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.19 3hm8 h PHE 792 Cb 0.89 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3hm8 h PHE 792 CO -0.07 0.26 0.50 -0.07 -2.23 0.00 0.00 178.31 176.70 3hm8 h LEU 793 N -0.76 0.33 -0.24 0.59 3.38 0.49 0.16 115.31 119.26 3hm8 h LEU 793 Ca -0.02 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3hm8 h LEU 793 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hm8 h LEU 793 CO 0.03 0.16 -0.82 0.28 0.09 0.00 0.00 178.44 178.19 3hm8 h SER 794 N 0.34 0.70 -0.14 -0.43 0.02 -1.00 -3.25 113.55 109.79 3hm8 h SER 794 Ca 0.37 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 3hm8 h SER 794 Cb 0.94 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3hm8 h SER 794 CO -0.11 1.26 -0.29 -0.33 -1.14 0.00 0.00 176.83 176.23 3hm8 h GLU 795 N 0.38 0.44 -0.96 3.45 5.08 -0.53 -3.21 114.58 119.23 3hm8 h GLU 795 Ca -0.06 -0.29 0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3hm8 h GLU 795 Cb 1.43 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.63 3hm8 h GLU 795 CO 0.15 0.89 0.58 0.82 -1.00 0.00 0.00 179.01 180.46 3hm8 h ILE 796 N 0.05 0.88 -0.00 3.13 2.04 -0.91 -2.30 117.51 120.39 3hm8 h ILE 796 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3hm8 h ILE 796 Cb 0.88 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3hm8 h ILE 796 CO 0.06 0.16 -0.14 -0.62 0.00 0.00 0.00 178.15 177.61 3hm8 n GLU 797 N -4.68 0.65 -1.66 2.37 1.02 -1.23 -4.91 120.64 112.21 3hm8 n GLU 797 Ca 0.18 -0.25 -0.49 0.00 -0.02 0.00 0.00 57.16 56.58 3hm8 n GLU 797 Cb 0.37 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 3hm8 n GLU 797 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hm8 n SER 798 N -0.95 2.83 0.13 1.62 2.88 -0.87 -4.86 113.62 114.41 3hm8 n SER 798 Ca 0.13 1.07 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 3hm8 n SER 798 Cb 0.29 -1.35 0.49 0.00 -0.75 0.00 0.00 64.21 62.90 3hm8 n SER 798 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hm8 n ASP 799 N 4.09 0.72 0.00 -3.46 3.85 -1.26 -2.40 116.55 118.08 3hm8 n ASP 799 Ca 0.19 0.66 0.14 0.00 -0.71 0.00 0.00 54.79 55.08 3hm8 n ASP 799 Cb 0.26 -0.82 0.85 0.00 -1.35 0.00 0.00 41.12 40.06 3hm8 n ASP 799 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hm8 n SER 800 N -2.28 0.00 -4.82 -1.12 3.41 -1.26 -4.82 113.62 102.74 3hm8 n SER 800 Ca 0.02 -0.87 -0.38 0.00 -0.26 0.00 0.00 58.87 57.38 3hm8 n SER 800 Cb 0.25 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 3hm8 n SER 800 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hm8 s LEU 801 N -2.02 4.48 0.41 1.04 1.43 -1.01 -5.09 118.68 117.92 3hm8 s LEU 801 Ca 0.43 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3hm8 s LEU 801 Cb 0.20 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3hm8 s LEU 801 CO 0.34 0.28 0.64 0.00 0.23 0.00 0.00 176.35 177.83 3hm8 s ALA 802 N -0.96 3.67 0.24 4.21 0.00 -1.26 -4.94 121.76 122.72 3hm8 s ALA 802 Ca 0.26 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 3hm8 s ALA 802 Cb -0.18 -2.20 0.28 0.00 0.00 0.00 0.00 23.12 21.02 3hm8 s ALA 802 CO 0.16 -0.22 1.89 1.25 0.00 0.00 0.00 175.76 178.83 3hm8 h LEU 803 N 0.52 0.96 -1.34 0.00 5.85 -1.99 -0.68 115.31 118.64 3hm8 h LEU 803 Ca -0.48 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.33 3hm8 h LEU 803 Cb 1.23 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3hm8 h LEU 803 CO 0.60 0.66 0.52 0.03 -0.34 0.00 0.00 178.44 179.91 3hm8 h ARG 804 N 1.12 0.71 -0.09 1.25 -0.00 -1.99 -0.74 114.38 114.65 3hm8 h ARG 804 Ca 0.36 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.98 59.60 3hm8 h ARG 804 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 29.81 3hm8 h ARG 804 CO -0.12 0.47 -0.75 1.96 0.00 0.00 0.00 179.97 181.54 3hm8 h GLN 805 N 0.73 0.46 -0.37 0.04 4.20 -1.56 -0.34 115.11 118.28 3hm8 h GLN 805 Ca 0.37 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3hm8 h GLN 805 Cb 0.46 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3hm8 h GLN 805 CO -0.14 1.02 0.19 0.28 -0.67 0.00 0.00 178.83 179.50 3hm8 h VAL 806 N 0.31 1.16 -0.55 -0.54 2.07 -0.34 -1.86 116.25 116.50 3hm8 h VAL 806 Ca -0.04 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3hm8 h VAL 806 Cb 1.33 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3hm8 h VAL 806 CO 0.13 0.16 0.08 0.03 0.02 0.00 0.00 177.57 178.00 3hm8 h ARG 807 N 0.47 0.89 0.12 1.57 3.08 -1.12 -2.56 114.38 116.82 3hm8 h ARG 807 Ca 0.13 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3hm8 h ARG 807 Cb 0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hm8 h ARG 807 CO -0.02 0.83 -0.22 0.00 -1.07 0.00 0.00 179.97 179.49 3hm8 h ALA 808 N 1.25 -0.38 -0.69 0.04 0.00 -0.76 0.21 119.26 118.93 3hm8 h ALA 808 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3hm8 h ALA 808 Cb 0.38 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3hm8 h ALA 808 CO 0.01 -0.75 0.26 0.82 0.00 0.00 0.00 179.25 179.59 3hm8 h ILE 809 N -0.42 0.71 -0.13 0.00 2.04 -1.13 0.13 117.51 118.71 3hm8 h ILE 809 Ca 0.03 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 3hm8 h ILE 809 Cb 0.43 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hm8 h ILE 809 CO -0.12 0.08 -0.65 -0.07 0.00 0.00 0.00 178.15 177.39 3hm8 h LEU 810 N 0.43 0.55 -2.06 1.44 3.38 -1.14 -1.54 115.31 116.37 3hm8 h LEU 810 Ca 0.36 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hm8 h LEU 810 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hm8 h LEU 810 CO -0.36 1.05 0.00 -0.33 0.09 0.00 0.00 178.44 178.89 3hm8 h GLU 811 N 0.35 0.00 0.00 1.13 5.08 0.19 1.19 114.58 122.52 3hm8 h GLU 811 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hm8 h GLU 811 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hm8 h GLU 811 CO 0.12 0.00 -0.73 -3.47 -1.00 0.00 0.00 179.01 173.93 3hm8 n ASP 812 N -3.05 0.64 -1.15 1.42 4.64 0.37 -3.34 116.55 116.08 3hm8 n ASP 812 Ca -0.01 -0.04 0.10 0.00 -1.38 0.00 0.00 54.79 53.46 3hm8 n ASP 812 Cb 0.21 0.37 0.27 0.00 -1.04 0.00 0.00 41.12 40.92 3hm8 n ASP 812 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3hm8 n LEU 813 N -1.96 3.64 -0.22 -2.67 4.77 -0.64 -4.95 117.00 114.96 3hm8 n LEU 813 Ca 0.03 -1.94 -0.02 0.00 -0.03 0.00 0.00 56.01 54.05 3hm8 n LEU 813 Cb 0.42 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3hm8 n LEU 813 CO 0.37 0.90 -0.03 0.61 -1.33 0.00 0.00 177.39 177.91 3hm8 n GLY 814 N 1.34 0.45 2.49 -0.72 0.00 -1.01 -5.00 105.19 102.75 3hm8 n GLY 814 Ca 0.21 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 3hm8 n GLY 814 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hm8 n LEU 815 N -0.31 2.40 -4.75 0.99 4.77 0.41 -4.88 117.00 115.63 3hm8 n LEU 815 Ca -0.03 -5.12 -0.41 0.00 -0.03 0.00 0.00 56.01 50.42 3hm8 n LEU 815 Cb 0.26 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3hm8 n LEU 815 CO 0.04 1.96 1.11 -2.84 -1.33 0.00 0.00 177.39 176.33 3hm8 s PRO 816 N -1.69 4.24 0.12 3.23 0.02 -1.24 -3.25 135.00 136.43 3hm8 s PRO 816 Ca 0.34 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.76 3hm8 s PRO 816 Cb 0.09 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 3hm8 s PRO 816 CO -0.09 -0.43 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.53 3hm8 s LEU 817 N -0.73 2.43 0.64 -5.54 1.43 -1.26 -4.94 118.68 110.71 3hm8 s LEU 817 Ca 0.58 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3hm8 s LEU 817 Cb -0.43 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.44 3hm8 s LEU 817 CO 0.47 -0.24 0.94 0.42 0.23 0.00 0.00 176.35 178.17 3hm8 s THR 818 N -2.55 2.95 0.07 5.49 -4.23 -1.26 -4.86 115.64 111.25 3hm8 s THR 818 Ca 0.09 -0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.17 3hm8 s THR 818 Cb -0.02 -3.21 -0.12 0.00 1.34 0.00 0.00 72.50 70.49 3hm8 s THR 818 CO 0.01 -0.22 1.41 0.28 -0.54 0.00 0.00 174.62 175.56 3hm8 h SER 819 N -0.35 -1.08 -0.91 3.99 0.02 -1.98 0.18 113.55 113.42 3hm8 h SER 819 Ca -0.45 0.10 0.26 0.00 -0.84 0.00 0.00 61.79 60.86 3hm8 h SER 819 Cb 1.29 0.38 -0.15 0.00 0.14 0.00 0.00 62.40 64.05 3hm8 h SER 819 CO 0.60 -0.46 0.24 0.44 -1.14 0.00 0.00 176.83 176.51 3hm8 h ASP 820 N -0.67 -0.02 0.01 3.07 3.32 -1.99 0.34 116.42 120.48 3hm8 h ASP 820 Ca -0.03 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hm8 h ASP 820 Cb 0.61 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3hm8 h ASP 820 CO -0.11 -0.20 -0.00 0.44 -1.72 0.00 0.00 179.24 177.64 3hm8 h ASP 821 N 0.17 -0.01 -0.91 6.45 3.32 -1.86 -2.38 116.42 121.20 3hm8 h ASP 821 Ca 0.59 -0.27 0.16 0.00 0.02 0.00 0.00 57.03 57.53 3hm8 h ASP 821 Cb 1.24 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.70 3hm8 h ASP 821 CO -0.70 0.26 0.50 0.00 -1.72 0.00 0.00 179.24 177.59 3hm8 h ALA 822 N 0.70 1.42 -0.19 3.45 0.00 0.26 0.10 119.26 125.00 3hm8 h ALA 822 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hm8 h ALA 822 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hm8 h ALA 822 CO 0.00 -0.06 0.10 -0.07 0.00 0.00 0.00 179.25 179.22 3hm8 h LEU 823 N 0.69 0.24 -0.80 0.00 3.38 -0.43 -1.39 115.31 117.00 3hm8 h LEU 823 Ca 0.50 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 3hm8 h LEU 823 Cb 0.73 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3hm8 h LEU 823 CO -0.37 0.28 0.44 0.24 0.09 0.00 0.00 178.44 179.12 3hm8 h MET 824 N 0.19 1.11 -0.31 1.13 2.86 -0.68 0.08 114.93 119.30 3hm8 h MET 824 Ca 0.07 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3hm8 h MET 824 Cb 0.09 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3hm8 h MET 824 CO -0.01 0.82 0.17 0.28 1.06 0.00 0.00 176.91 179.23 3hm8 h VAL 825 N 1.11 1.01 -0.50 -2.22 2.07 -0.66 0.01 116.25 117.06 3hm8 h VAL 825 Ca 0.28 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 3hm8 h VAL 825 Cb 0.03 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3hm8 h VAL 825 CO -0.05 0.06 0.03 0.25 0.02 0.00 0.00 177.57 177.89 3hm8 h LEU 826 N 0.35 0.78 -0.38 2.57 5.85 -0.83 -1.63 115.31 122.02 3hm8 h LEU 826 Ca 0.13 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hm8 h LEU 826 Cb 0.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3hm8 h LEU 826 CO -0.08 0.83 0.19 -0.08 -0.34 0.00 0.00 178.44 178.97 3hm8 h GLU 827 N 0.77 0.53 -0.65 1.25 4.81 -0.54 -2.26 114.58 118.49 3hm8 h GLU 827 Ca 0.15 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3hm8 h GLU 827 Cb 0.42 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 3hm8 h GLU 827 CO 0.01 0.45 0.33 0.28 -0.73 0.00 0.00 179.01 179.36 3hm8 h VAL 828 N 0.47 0.89 -0.23 0.32 2.07 -0.33 0.14 116.25 119.58 3hm8 h VAL 828 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hm8 h VAL 828 Cb 0.09 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3hm8 h VAL 828 CO -0.02 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.82 3hm8 h GLN 830 N 0.28 -0.01 -0.47 0.00 4.20 -0.97 -0.01 115.11 118.14 3hm8 h GLN 830 Ca 0.08 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.88 3hm8 h GLN 830 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 3hm8 h GLN 830 CO -0.02 -0.00 0.01 0.00 -0.67 0.00 0.00 178.83 178.15 3hm8 h ALA 831 N 1.11 0.44 0.13 3.87 0.00 -0.68 0.20 119.26 124.34 3hm8 h ALA 831 Ca 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hm8 h ALA 831 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hm8 h ALA 831 CO -0.12 -0.38 -0.06 0.28 0.00 0.00 0.00 179.25 178.96 3hm8 h VAL 832 N 0.12 1.04 -0.16 0.00 2.07 -1.01 -2.62 116.25 115.69 3hm8 h VAL 832 Ca 0.23 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3hm8 h VAL 832 Cb 0.34 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3hm8 h VAL 832 CO -0.38 0.21 0.02 0.77 0.02 0.00 0.00 177.57 178.21 3hm8 h SER 833 N -0.63 0.20 0.55 0.57 4.64 -0.87 -1.11 113.55 116.89 3hm8 h SER 833 Ca -0.02 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3hm8 h SER 833 Cb 0.48 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3hm8 h SER 833 CO 0.03 0.23 -0.26 -0.61 -0.87 0.00 0.00 176.83 175.34 3hm8 h GLN 834 N 0.22 -0.71 -0.72 4.77 4.15 -0.57 -0.19 115.11 122.06 3hm8 h GLN 834 Ca 0.05 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.64 3hm8 h GLN 834 Cb 0.12 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 3hm8 h GLN 834 CO -0.00 -0.42 0.32 -0.09 -1.93 0.00 0.00 178.83 176.71 3hm8 h ARG 835 N -0.87 0.49 -0.23 1.69 2.43 -1.17 0.11 114.38 116.83 3hm8 h ARG 835 Ca -0.07 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hm8 h ARG 835 Cb 0.61 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3hm8 h ARG 835 CO 0.12 0.32 -0.14 0.00 -1.51 0.00 0.00 179.97 178.77 3hm8 h ALA 836 N 1.49 0.03 -0.64 2.80 0.00 -0.98 0.32 119.26 122.28 3hm8 h ALA 836 Ca 0.38 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 3hm8 h ALA 836 Cb 0.50 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3hm8 h ALA 836 CO -0.34 -0.56 0.28 0.00 0.00 0.00 0.00 179.25 178.63 3hm8 h ALA 837 N 1.03 0.83 -0.35 0.00 0.00 -0.11 -2.40 119.26 118.26 3hm8 h ALA 837 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hm8 h ALA 837 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hm8 h ALA 837 CO -0.31 0.43 -0.05 1.96 0.00 0.00 0.00 179.25 181.28 3hm8 h GLN 838 N 0.89 0.65 0.35 0.00 4.20 -0.17 0.06 115.11 121.08 3hm8 h GLN 838 Ca 0.22 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3hm8 h GLN 838 Cb 0.17 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3hm8 h GLN 838 CO -0.02 0.79 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.65 3hm8 h LEU 839 N 0.44 -0.52 -0.97 1.46 3.38 -0.35 0.10 115.31 118.85 3hm8 h LEU 839 Ca 0.09 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.27 3hm8 h LEU 839 Cb 0.54 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 3hm8 h LEU 839 CO 0.03 -0.34 0.58 0.00 0.09 0.00 0.00 178.44 178.80 3hm8 h GLY 841 N 0.75 -0.50 0.23 0.00 0.00 -0.13 0.65 103.07 104.07 3hm8 h GLY 841 Ca 0.55 0.20 0.19 0.00 0.00 0.00 0.00 47.33 48.27 3hm8 h GLY 841 CO -0.38 -0.19 0.61 0.00 0.00 0.00 0.00 176.54 176.59 3hm8 h ALA 842 N 0.18 1.88 0.66 3.60 0.00 0.20 0.34 119.26 126.12 3hm8 h ALA 842 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hm8 h ALA 842 Cb 0.38 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hm8 h ALA 842 CO 0.06 -0.21 -0.32 0.78 0.00 0.00 0.00 179.25 179.57 3hm8 h GLY 843 N 0.64 -0.93 0.43 0.00 0.00 -0.41 -1.47 103.07 101.34 3hm8 h GLY 843 Ca 0.53 0.34 0.17 0.00 0.00 0.00 0.00 47.33 48.37 3hm8 h GLY 843 CO -0.29 -0.34 0.57 -2.08 0.00 0.00 0.00 176.54 174.41 3hm8 h VAL 844 N -0.93 0.75 -0.30 4.60 2.07 -0.15 0.18 116.25 122.47 3hm8 h VAL 844 Ca -0.09 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3hm8 h VAL 844 Cb 0.68 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3hm8 h VAL 844 CO 0.15 0.10 0.07 0.00 0.02 0.00 0.00 177.57 177.91 3hm8 h ALA 845 N 1.61 0.32 -0.82 1.67 0.00 -0.19 -1.30 119.26 120.56 3hm8 h ALA 845 Ca 0.45 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 3hm8 h ALA 845 Cb 0.94 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3hm8 h ALA 845 CO -0.19 -0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.12 3hm8 h ALA 846 N 1.21 1.06 0.56 0.00 0.00 0.44 -1.85 119.26 120.67 3hm8 h ALA 846 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hm8 h ALA 846 Cb 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hm8 h ALA 846 CO -0.17 0.62 -0.27 0.28 0.00 0.00 0.00 179.25 179.71 3hm8 h VAL 847 N 1.16 0.36 -0.85 0.00 2.07 -1.06 0.72 116.25 118.65 3hm8 h VAL 847 Ca 0.28 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3hm8 h VAL 847 Cb 0.11 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3hm8 h VAL 847 CO -0.04 0.04 0.55 -0.37 0.02 0.00 0.00 177.57 177.78 3hm8 h VAL 848 N -0.95 0.95 -0.21 2.57 -1.51 -1.22 0.99 116.25 116.87 3hm8 h VAL 848 Ca -0.08 -0.28 -0.05 0.00 -1.23 0.00 0.00 66.70 65.06 3hm8 h VAL 848 Cb 0.64 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 3hm8 h VAL 848 CO 0.13 0.15 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.22 3hm8 h GLU 849 N 0.81 0.41 -0.18 5.19 4.39 -1.23 -1.41 114.58 122.56 3hm8 h GLU 849 Ca 0.40 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.98 3hm8 h GLU 849 Cb 0.44 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 3hm8 h GLU 849 CO -0.16 0.67 -0.16 -0.22 -1.16 0.00 0.00 179.01 177.98 3hm8 h LYS 850 N 0.13 -0.16 -0.62 2.33 1.63 0.62 0.27 116.57 120.76 3hm8 h LYS 850 Ca 0.05 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3hm8 h LYS 850 Cb 0.53 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 3hm8 h LYS 850 CO 0.02 -0.11 0.36 0.82 -3.45 0.00 0.00 179.45 177.10 3hm8 h ILE 851 N -0.17 1.03 0.07 2.00 2.04 -0.81 0.42 117.51 122.09 3hm8 h ILE 851 Ca 0.11 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hm8 h ILE 851 Cb 0.34 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3hm8 h ILE 851 CO -0.28 0.13 -0.03 -0.09 0.00 0.00 0.00 178.15 177.87 3hm8 h ARG 852 N 0.70 -0.09 -0.52 2.37 2.43 -0.61 -2.43 114.38 116.24 3hm8 h ARG 852 Ca 0.26 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3hm8 h ARG 852 Cb 0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3hm8 h ARG 852 CO -0.13 0.07 0.01 1.49 -1.51 0.00 0.00 179.97 179.90 3hm8 h GLU 853 N -0.24 0.86 -0.99 0.20 4.81 -0.23 -2.06 114.58 116.92 3hm8 h GLU 853 Ca -0.01 -0.24 0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3hm8 h GLU 853 Cb 0.20 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 3hm8 h GLU 853 CO 0.02 0.85 0.63 -0.91 -0.73 0.00 0.00 179.01 178.87 3hm8 h ASN 854 N 0.80 0.92 -0.53 1.04 2.35 -0.02 -1.71 115.58 118.44 3hm8 h ASN 854 Ca 0.15 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3hm8 h ASN 854 Cb 0.46 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3hm8 h ASN 854 CO 0.02 0.50 0.00 0.54 -1.65 0.00 0.00 177.43 176.84 3hm8 n ARG 855 N -4.60 3.08 -2.51 0.81 1.74 -0.93 -4.93 116.66 109.33 3hm8 n ARG 855 Ca 0.18 -2.26 -0.15 0.00 -0.77 0.00 0.00 57.85 54.85 3hm8 n ARG 855 Cb 0.34 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3hm8 n ARG 855 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hm8 n GLY 856 N 1.03 -0.50 3.89 -0.13 0.00 -0.64 -4.96 105.19 103.88 3hm8 n GLY 856 Ca 0.20 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hm8 n GLY 856 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hm8 s LEU 857 N -5.81 3.87 0.05 0.99 1.43 -0.80 -5.00 118.68 113.40 3hm8 s LEU 857 Ca 0.03 0.95 0.22 0.00 -1.03 0.00 0.00 54.13 54.31 3hm8 s LEU 857 Cb -0.02 -3.83 -0.21 0.00 0.03 0.00 0.00 46.19 42.16 3hm8 s LEU 857 CO 0.04 -0.37 0.67 -0.62 0.23 0.00 0.00 176.35 176.31 3hm8 n GLU 858 N -1.38 0.64 -3.85 1.70 1.02 -1.26 -4.69 120.64 112.83 3hm8 n GLU 858 Ca 0.01 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 3hm8 n GLU 858 Cb 0.54 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 3hm8 n GLU 858 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hm8 s GLU 859 N -3.41 0.39 -0.05 3.49 2.12 -1.26 -4.87 118.70 115.12 3hm8 s GLU 859 Ca -0.05 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3hm8 s GLU 859 Cb 0.12 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.70 3hm8 s GLU 859 CO 0.86 -0.09 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.26 3hm8 s LEU 860 N -0.90 1.41 -0.30 2.70 2.96 -1.06 -5.01 118.68 118.49 3hm8 s LEU 860 Ca -0.10 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3hm8 s LEU 860 Cb -0.05 -0.53 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 3hm8 s LEU 860 CO 0.01 -0.03 0.10 0.00 -1.32 0.00 0.00 176.35 175.11 3hm8 s ALA 861 N 0.84 3.15 -0.07 5.97 0.00 -1.26 0.11 121.76 130.50 3hm8 s ALA 861 Ca -0.12 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 3hm8 s ALA 861 Cb -0.15 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3hm8 s ALA 861 CO 0.01 -0.86 0.20 0.54 0.00 0.00 0.00 175.76 175.65 3hm8 s VAL 862 N 1.55 0.01 0.05 0.00 0.11 -0.90 -4.96 120.40 116.26 3hm8 s VAL 862 Ca 0.04 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3hm8 s VAL 862 Cb -0.17 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3hm8 s VAL 862 CO 0.04 -0.05 0.10 -0.44 -3.33 0.00 0.00 175.10 171.42 3hm8 s SER 863 N -0.09 5.70 -0.23 3.54 0.01 0.50 -1.83 113.70 121.30 3hm8 s SER 863 Ca -0.02 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3hm8 s SER 863 Cb -0.02 -1.60 0.04 0.00 0.21 0.00 0.00 66.02 64.64 3hm8 s SER 863 CO 0.01 0.20 -0.13 -0.69 0.41 0.00 0.00 173.24 173.04 3hm8 s VAL 864 N -1.34 2.32 -0.33 3.43 1.01 0.75 -2.70 120.40 123.54 3hm8 s VAL 864 Ca 0.28 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3hm8 s VAL 864 Cb -0.12 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3hm8 s VAL 864 CO 0.20 0.25 1.22 -0.83 0.00 0.00 0.00 175.10 175.94 3hm8 s GLY 865 N 1.23 1.41 0.04 4.51 0.00 0.50 -0.11 107.32 114.90 3hm8 s GLY 865 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 44.72 44.75 3hm8 s GLY 865 CO -0.08 2.48 -0.21 0.54 0.00 0.00 0.00 173.10 175.82 3hm8 s VAL 866 N 4.21 1.71 0.15 1.40 0.11 0.11 -0.38 120.40 127.71 3hm8 s VAL 866 Ca 0.52 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 3hm8 s VAL 866 Cb -0.14 -1.48 -0.00 0.00 -1.53 0.00 0.00 36.38 33.23 3hm8 s VAL 866 CO 0.22 0.24 0.28 -0.62 -3.33 0.00 0.00 175.10 171.89 3hm8 s ASP 867 N -1.13 0.03 0.00 3.54 -1.08 -0.62 -1.18 116.67 116.23 3hm8 s ASP 867 Ca 0.08 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.33 3hm8 s ASP 867 Cb -0.09 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 3hm8 s ASP 867 CO 0.02 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.45 3hm8 n GLY 868 N -0.19 4.40 0.29 2.66 0.00 -1.26 -1.11 105.19 109.98 3hm8 n GLY 868 Ca -0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 3hm8 n GLY 868 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hm8 h THR 869 N 0.00 1.21 0.32 2.61 1.35 -1.90 0.29 112.91 116.79 3hm8 h THR 869 Ca 0.00 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hm8 h THR 869 Cb 0.00 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 3hm8 h THR 869 CO 0.00 0.23 -0.31 0.25 -0.25 0.00 0.00 175.52 175.44 3hm8 h LEU 870 N 0.99 -0.82 0.04 3.87 5.85 -1.85 0.47 115.31 123.87 3hm8 h LEU 870 Ca 0.26 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.07 3hm8 h LEU 870 Cb 0.01 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3hm8 h LEU 870 CO -0.04 -0.44 -0.19 0.22 -0.34 0.00 0.00 178.44 177.65 3hm8 h TYR 871 N -0.65 -0.49 -0.71 1.25 3.20 -1.22 0.27 116.97 118.61 3hm8 h TYR 871 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hm8 h TYR 871 Cb 0.59 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3hm8 h TYR 871 CO -0.18 -0.27 0.46 -0.22 -1.64 0.00 0.00 178.16 176.31 3hm8 h LYS 872 N -0.33 0.95 0.00 1.82 1.63 -0.18 -3.34 116.57 117.12 3hm8 h LYS 872 Ca 0.04 -0.06 -0.38 0.00 -0.85 0.00 0.00 60.65 59.40 3hm8 h LYS 872 Cb 0.38 -0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 3hm8 h LYS 872 CO -0.15 0.64 -2.40 1.28 -3.45 0.00 0.00 179.45 175.37 3hm8 n LEU 873 N -4.42 1.67 -4.72 5.20 4.77 0.16 -5.01 117.00 114.66 3hm8 n LEU 873 Ca 0.08 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3hm8 n LEU 873 Cb 0.04 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3hm8 n LEU 873 CO 0.36 0.74 1.37 1.57 -1.33 0.00 0.00 177.39 180.10 3hm8 n HIS 874 N -3.05 2.75 -0.26 -1.77 -0.00 0.07 -4.91 115.22 108.05 3hm8 n HIS 874 Ca -0.39 0.04 0.07 0.00 0.46 0.00 0.00 57.72 57.90 3hm8 n HIS 874 Cb 1.06 -2.67 0.21 0.00 -0.12 0.00 0.00 29.99 28.47 3hm8 n HIS 874 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hm8 h PRO 875 N 6.72 0.35 0.00 1.57 0.11 -1.90 -3.31 132.00 135.54 3hm8 h PRO 875 Ca -0.43 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 3hm8 h PRO 875 Cb 1.20 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3hm8 h PRO 875 CO 0.95 0.23 -1.68 0.54 -0.21 0.00 0.00 178.00 177.83 3hm8 n ARG 876 N -5.08 2.15 -0.37 1.05 3.00 -1.26 -4.83 116.66 111.32 3hm8 n ARG 876 Ca 0.16 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.85 57.87 3hm8 n ARG 876 Cb 0.48 -1.26 -0.10 0.00 0.00 0.00 0.00 32.46 31.58 3hm8 n ARG 876 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3hm8 h PHE 877 N 0.00 -1.81 -0.56 -1.55 3.57 -1.91 0.03 116.94 114.72 3hm8 h PHE 877 Ca -0.25 0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.42 3hm8 h PHE 877 Cb 1.53 0.91 -0.05 0.00 2.79 0.00 0.00 35.95 41.13 3hm8 h PHE 877 CO 0.00 -0.37 0.28 0.66 -2.23 0.00 0.00 178.31 176.65 3hm8 h SER 878 N -0.05 0.40 -0.15 0.41 4.64 -1.79 -1.01 113.55 116.01 3hm8 h SER 878 Ca 0.14 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hm8 h SER 878 Cb 0.42 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3hm8 h SER 878 CO -0.86 0.27 0.08 0.28 -0.87 0.00 0.00 176.83 175.73 3hm8 h SER 879 N 0.54 0.18 0.23 4.97 0.02 -1.56 -2.25 113.55 115.68 3hm8 h SER 879 Ca 0.25 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3hm8 h SER 879 Cb 0.17 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3hm8 h SER 879 CO -0.18 0.21 -0.16 0.25 -1.14 0.00 0.00 176.83 175.81 3hm8 h LEU 880 N 0.14 0.00 0.54 5.07 6.46 -0.55 -1.21 115.31 125.75 3hm8 h LEU 880 Ca 0.05 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3hm8 h LEU 880 Cb 0.06 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3hm8 h LEU 880 CO -0.01 0.16 -0.26 0.58 -0.62 0.00 0.00 178.44 178.29 3hm8 h VAL 881 N 0.00 0.00 -0.94 1.05 2.07 -0.98 -2.66 116.25 114.79 3hm8 h VAL 881 Ca -0.00 -0.42 0.28 0.00 0.82 0.00 0.00 66.70 67.38 3hm8 h VAL 881 Cb 0.31 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.93 3hm8 h VAL 881 CO 0.02 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.95 3hm8 h ALA 882 N -1.24 1.55 -0.70 1.67 0.00 -1.13 0.44 119.26 119.84 3hm8 h ALA 882 Ca -0.07 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hm8 h ALA 882 Cb 0.55 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3hm8 h ALA 882 CO 0.12 -0.56 0.27 0.00 0.00 0.00 0.00 179.25 179.08 3hm8 h ALA 883 N 1.85 0.92 -0.08 0.00 0.00 -1.27 -2.53 119.26 118.15 3hm8 h ALA 883 Ca 0.64 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.23 3hm8 h ALA 883 Cb 1.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hm8 h ALA 883 CO -0.69 0.55 -0.53 1.15 0.00 0.00 0.00 179.25 179.74 3hm8 h THR 884 N 1.01 1.36 -0.19 0.00 2.02 0.17 -1.29 112.91 115.98 3hm8 h THR 884 Ca 0.23 -1.80 -0.10 0.00 0.77 0.00 0.00 66.41 65.51 3hm8 h THR 884 Cb 0.23 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3hm8 h THR 884 CO -0.02 0.53 -0.33 0.58 0.37 0.00 0.00 175.52 176.66 3hm8 h VAL 885 N 0.17 1.28 0.19 3.16 2.07 -0.85 -0.50 116.25 121.77 3hm8 h VAL 885 Ca 0.00 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3hm8 h VAL 885 Cb 0.99 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3hm8 h VAL 885 CO 0.08 0.43 -0.09 0.03 0.02 0.00 0.00 177.57 178.04 3hm8 h ARG 886 N 0.34 -0.24 -0.80 1.57 3.08 -1.15 0.31 114.38 117.49 3hm8 h ARG 886 Ca 0.04 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.27 3hm8 h ARG 886 Cb 0.75 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.75 3hm8 h ARG 886 CO 0.06 0.14 0.33 1.49 -1.07 0.00 0.00 179.97 180.91 3hm8 h GLU 887 N -0.69 0.43 0.00 0.04 4.81 -1.10 -2.94 114.58 115.13 3hm8 h GLU 887 Ca -0.03 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3hm8 h GLU 887 Cb 0.49 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3hm8 h GLU 887 CO 0.04 0.28 -2.09 1.28 -0.73 0.00 0.00 179.01 177.79 3hm8 n LEU 888 N -5.01 0.00 -3.31 1.64 4.77 -0.21 -4.62 117.00 110.27 3hm8 n LEU 888 Ca 0.16 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.89 3hm8 n LEU 888 Cb 0.47 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.67 3hm8 n LEU 888 CO 0.17 0.19 -0.13 0.00 -1.33 0.00 0.00 177.39 176.28 3hm8 n ALA 889 N -2.41 3.16 -0.05 -1.18 0.00 0.11 -4.95 120.51 115.19 3hm8 n ALA 889 Ca -0.15 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.16 3hm8 n ALA 889 Cb 0.77 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 3hm8 n ALA 889 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hm8 h PRO 890 N 4.14 0.77 0.00 0.00 0.11 -1.66 -2.88 132.00 132.48 3hm8 h PRO 890 Ca 0.13 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hm8 h PRO 890 Cb 0.78 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hm8 h PRO 890 CO 0.63 1.11 0.00 0.54 -0.21 0.00 0.00 178.00 180.06 3hm8 n ARG 891 N -3.99 0.03 -4.13 1.05 3.00 -1.26 -4.57 116.66 106.78 3hm8 n ARG 891 Ca -0.04 0.43 -0.36 0.00 -0.01 0.00 0.00 57.85 57.88 3hm8 n ARG 891 Cb 0.61 -1.59 -0.08 0.00 0.00 0.00 0.00 32.46 31.40 3hm8 n ARG 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hm8 s VAL 893 N -0.68 4.98 -0.29 0.00 1.01 0.31 -4.93 120.40 120.80 3hm8 s VAL 893 Ca 0.12 -1.99 -0.12 0.00 0.00 0.00 0.00 61.98 59.98 3hm8 s VAL 893 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3hm8 s VAL 893 CO 0.02 -0.90 0.26 -0.69 0.00 0.00 0.00 175.10 173.79 3hm8 s VAL 894 N 0.96 5.26 -0.14 2.92 1.01 -1.26 -2.13 120.40 127.02 3hm8 s VAL 894 Ca 0.09 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 3hm8 s VAL 894 Cb -0.22 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hm8 s VAL 894 CO -0.02 0.18 0.09 -0.89 0.00 0.00 0.00 175.10 174.45 3hm8 s THR 895 N 1.86 5.02 -0.21 3.92 2.01 -0.76 -5.01 115.64 122.48 3hm8 s THR 895 Ca 0.09 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 3hm8 s THR 895 Cb -0.16 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3hm8 s THR 895 CO 0.11 0.54 0.07 -0.36 -0.69 0.00 0.00 174.62 174.29 3hm8 s PHE 896 N -0.37 3.18 -0.20 4.92 0.08 -1.26 -0.18 117.98 124.15 3hm8 s PHE 896 Ca 0.10 -0.09 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 3hm8 s PHE 896 Cb -0.12 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 3hm8 s PHE 896 CO 0.02 -0.02 0.01 -0.51 -0.10 0.00 0.00 175.22 174.61 3hm8 s LEU 897 N 0.81 3.34 -0.17 -0.37 1.43 0.84 -4.91 118.68 119.64 3hm8 s LEU 897 Ca 0.04 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 3hm8 s LEU 897 Cb -0.14 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3hm8 s LEU 897 CO 0.02 0.08 0.57 -1.58 0.23 0.00 0.00 176.35 175.67 3hm8 s GLN 898 N 0.93 4.26 -0.18 1.70 0.74 -1.26 0.07 119.66 125.91 3hm8 s GLN 898 Ca 0.02 0.54 -0.29 0.00 0.05 0.00 0.00 55.36 55.67 3hm8 s GLN 898 Cb -0.14 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3hm8 s GLN 898 CO 0.02 -0.09 1.56 0.45 -0.55 0.00 0.00 175.29 176.68 3hm8 s SER 899 N 1.02 6.53 0.37 6.67 0.15 -0.32 -4.88 113.70 123.23 3hm8 s SER 899 Ca 0.27 1.73 0.21 0.00 0.70 0.00 0.00 55.95 58.86 3hm8 s SER 899 Cb -0.16 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 61.85 3hm8 s SER 899 CO 0.11 -1.12 1.49 1.05 1.20 0.00 0.00 173.24 175.97 3hm8 h GLU 900 N 10.08 0.00 -0.00 5.44 9.09 -1.95 -3.38 114.58 133.87 3hm8 h GLU 900 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3hm8 h GLU 900 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 3hm8 h GLU 900 CO 0.99 0.12 0.00 -0.25 0.05 0.00 0.00 179.01 179.92 3hm8 n ASP 901 N -3.08 1.75 -0.54 3.06 8.00 -1.26 -5.13 116.55 119.35 3hm8 n ASP 901 Ca 0.03 -1.74 0.07 0.00 0.71 0.00 0.00 54.79 53.85 3hm8 n ASP 901 Cb 0.59 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3hm8 n ASP 901 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hm8 n GLY 902 N -0.36 -2.08 0.21 0.44 0.00 -1.26 -4.38 105.19 97.76 3hm8 n GLY 902 Ca 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3hm8 n GLY 902 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hm8 h SER 903 N -0.46 0.00 -0.98 1.61 0.02 -1.89 -3.27 113.55 108.58 3hm8 h SER 903 Ca 0.01 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.16 3hm8 h SER 903 Cb 0.46 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.90 3hm8 h SER 903 CO 0.00 0.27 0.62 1.23 -1.14 0.00 0.00 176.83 177.81 3hm8 h GLY 904 N 2.10 1.49 0.92 -3.77 0.00 -1.88 0.17 103.07 102.11 3hm8 h GLY 904 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hm8 h GLY 904 CO 0.04 -0.05 0.05 1.70 0.00 0.00 0.00 176.54 178.27 3hm8 h LYS 905 N 0.64 0.14 -0.29 4.80 3.64 -1.76 -1.63 116.57 122.11 3hm8 h LYS 905 Ca 0.55 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.85 3hm8 h LYS 905 Cb 1.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3hm8 h LYS 905 CO -0.32 0.18 -0.09 0.78 -2.27 0.00 0.00 179.45 177.74 3hm8 h GLY 906 N 0.05 0.61 0.12 5.01 0.00 -1.31 -2.86 103.07 104.70 3hm8 h GLY 906 Ca 0.03 -0.52 0.11 0.00 0.00 0.00 0.00 47.33 46.95 3hm8 h GLY 906 CO -0.01 0.47 0.04 0.00 0.00 0.00 0.00 176.54 177.05 3hm8 h ALA 907 N 0.77 0.58 -0.76 3.60 0.00 -0.65 -0.63 119.26 122.17 3hm8 h ALA 907 Ca 0.07 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3hm8 h ALA 907 Cb 0.58 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3hm8 h ALA 907 CO 0.03 -0.37 0.46 0.00 0.00 0.00 0.00 179.25 179.38 3hm8 h ALA 908 N 1.48 1.03 -0.57 0.00 0.00 -1.21 0.36 119.26 120.34 3hm8 h ALA 908 Ca 0.29 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hm8 h ALA 908 Cb 0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hm8 h ALA 908 CO -0.44 0.20 0.13 -0.07 0.00 0.00 0.00 179.25 179.07 3hm8 h LEU 909 N 0.86 0.84 -0.13 0.00 3.38 -0.97 -1.28 115.31 118.00 3hm8 h LEU 909 Ca 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hm8 h LEU 909 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hm8 h LEU 909 CO -0.16 0.82 -0.04 0.58 0.09 0.00 0.00 178.44 179.73 3hm8 h VAL 910 N 0.86 1.30 -0.87 1.22 2.07 -0.35 -2.98 116.25 117.50 3hm8 h VAL 910 Ca 0.18 -1.01 0.13 0.00 0.82 0.00 0.00 66.70 66.83 3hm8 h VAL 910 Cb 0.32 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3hm8 h VAL 910 CO 0.00 0.29 0.56 0.74 0.02 0.00 0.00 177.57 179.18 3hm8 h THR 911 N -0.07 0.85 -0.82 2.57 2.02 -0.73 0.07 112.91 116.80 3hm8 h THR 911 Ca 0.03 -0.24 0.14 0.00 0.77 0.00 0.00 66.41 67.11 3hm8 h THR 911 Cb 0.47 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 3hm8 h THR 911 CO 0.01 0.13 0.42 0.00 0.37 0.00 0.00 175.52 176.45 3hm8 h ALA 912 N 1.60 1.21 -0.31 6.16 0.00 -1.08 0.72 119.26 127.56 3hm8 h ALA 912 Ca 0.43 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 3hm8 h ALA 912 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hm8 h ALA 912 CO -0.19 -0.08 -0.23 0.28 0.00 0.00 0.00 179.25 179.03 3hm8 h VAL 913 N 0.62 1.30 -0.51 0.00 2.07 -1.01 -2.42 116.25 116.29 3hm8 h VAL 913 Ca 0.44 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3hm8 h VAL 913 Cb 0.59 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3hm8 h VAL 913 CO -0.35 0.44 0.34 0.00 0.02 0.00 0.00 177.57 178.03 3hm8 h ALA 914 N 0.74 1.90 -0.08 1.67 0.00 -0.24 0.53 119.26 123.78 3hm8 h ALA 914 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hm8 h ALA 914 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hm8 h ALA 914 CO 0.06 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 3hm8 h ARG 916 N -0.22 0.74 0.00 0.00 -0.00 -0.84 -1.34 114.38 112.72 3hm8 h ARG 916 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 3hm8 h ARG 916 Cb 0.80 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.60 3hm8 h ARG 916 CO 0.04 0.49 -0.04 -0.07 -0.00 0.00 0.00 179.97 180.39 3hm8 h LEU 917 N 0.76 0.00 0.17 0.08 4.07 0.08 -2.68 115.31 117.79 3hm8 h LEU 917 Ca 0.32 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.95 3hm8 h LEU 917 Cb 0.19 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.94 3hm8 h LEU 917 CO -0.18 0.04 -1.64 0.00 -1.08 0.00 0.00 178.44 175.58 3hm8 h ALA 918 N 1.96 0.14 0.00 1.53 0.00 -0.92 -3.51 119.26 118.46 3hm8 h ALA 918 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3hm8 h ALA 918 Cb 0.11 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hm8 h ALA 918 CO 0.01 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.20