#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gql n GLU 464 N 0.00 0.35 -2.63 -0.72 0.28 -1.26 -5.11 120.64 111.56 3gql n GLU 464 Ca 0.00 -2.21 -0.42 0.00 -0.16 0.00 0.00 57.16 54.38 3gql n GLU 464 Cb 0.00 -0.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.43 3gql n GLU 464 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3gql s LEU 465 N -0.73 4.40 0.34 -1.84 1.43 -1.26 -5.04 118.68 115.99 3gql s LEU 465 Ca 0.32 1.81 -0.21 0.00 -1.03 0.00 0.00 54.13 55.02 3gql s LEU 465 Cb 0.35 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 3gql s LEU 465 CO -0.13 -0.28 0.87 -2.84 0.23 0.00 0.00 176.35 174.20 3gql s PRO 466 N 0.73 4.29 -0.07 1.29 0.02 -1.26 -4.85 135.00 135.15 3gql s PRO 466 Ca 0.53 1.05 -0.20 0.00 0.02 0.00 0.00 61.00 62.39 3gql s PRO 466 Cb -0.24 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 3gql s PRO 466 CO 0.29 0.17 0.56 -2.00 -0.33 0.00 0.00 177.00 175.69 3gql s GLU 467 N -2.61 4.34 -0.53 5.54 2.12 -1.26 -4.97 118.70 121.33 3gql s GLU 467 Ca 0.54 0.63 0.01 0.00 0.36 0.00 0.00 54.97 56.51 3gql s GLU 467 Cb -0.13 -3.40 0.14 0.00 0.26 0.00 0.00 34.13 30.99 3gql s GLU 467 CO 0.18 0.22 0.30 0.34 -0.54 0.00 0.00 175.26 175.76 3gql s ASP 468 N 0.36 4.83 0.04 -1.70 -1.08 -1.26 -4.97 116.67 112.89 3gql s ASP 468 Ca 0.30 -2.75 0.01 0.00 -0.52 0.00 0.00 52.55 49.59 3gql s ASP 468 Cb -0.17 -1.74 0.07 0.00 -1.46 0.00 0.00 42.92 39.62 3gql s ASP 468 CO 0.14 -0.34 0.81 -0.81 0.52 0.00 0.00 175.17 175.50 3gql n PRO 469 N 3.54 0.01 0.12 4.34 -0.04 -1.26 -0.15 135.00 141.56 3gql n PRO 469 Ca 0.05 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 3gql n PRO 469 Cb 0.36 -1.79 0.07 0.00 -0.04 0.00 0.00 33.50 32.11 3gql n PRO 469 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gql h ARG 470 N 0.00 0.00 0.00 0.54 3.08 -2.02 -3.38 114.38 112.60 3gql h ARG 470 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gql h ARG 470 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3gql h ARG 470 CO 0.00 0.70 -0.93 0.91 -1.07 0.00 0.00 179.97 179.58 3gql n TRP 471 N -3.51 0.00 -1.66 3.04 7.02 0.79 -5.02 117.44 118.10 3gql n TRP 471 Ca -0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3gql n TRP 471 Cb 0.73 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.61 3gql n TRP 471 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3gql n GLU 472 N -1.53 1.83 -4.10 -0.99 4.07 -0.45 -1.35 120.64 118.12 3gql n GLU 472 Ca 0.00 0.64 -0.19 0.00 -0.06 0.00 0.00 57.16 57.55 3gql n GLU 472 Cb 0.13 -2.15 -0.16 0.00 -0.06 0.00 0.00 31.44 29.20 3gql n GLU 472 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3gql s LEU 473 N -0.50 1.29 -0.21 4.31 2.96 0.01 -4.80 118.68 121.74 3gql s LEU 473 Ca 0.57 -0.10 -0.36 0.00 -0.22 0.00 0.00 54.13 54.02 3gql s LEU 473 Cb -0.61 -0.39 -0.12 0.00 0.50 0.00 0.00 46.19 45.57 3gql s LEU 473 CO 0.61 -0.07 1.92 -2.65 -1.32 0.00 0.00 176.35 174.85 3gql n PRO 474 N 4.06 1.64 -0.31 0.98 -0.02 -1.26 -4.51 135.00 135.58 3gql n PRO 474 Ca -0.25 0.57 0.35 0.00 -2.02 0.00 0.00 63.50 62.15 3gql n PRO 474 Cb 0.51 -2.47 0.70 0.00 -0.02 0.00 0.00 33.50 32.22 3gql n PRO 474 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gql h ARG 475 N 9.56 0.00 0.00 -0.52 2.43 -1.94 0.81 114.38 124.72 3gql h ARG 475 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3gql h ARG 475 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3gql h ARG 475 CO 0.97 0.00 -0.20 -0.40 -1.51 0.00 0.00 179.97 178.83 3gql n ASP 476 N -3.86 0.20 -0.49 -3.80 5.68 -1.26 -3.25 116.55 109.78 3gql n ASP 476 Ca 0.26 0.20 0.13 0.00 -0.50 0.00 0.00 54.79 54.87 3gql n ASP 476 Cb 1.36 -0.20 0.48 0.00 -1.14 0.00 0.00 41.12 41.62 3gql n ASP 476 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gql n ARG 477 N -1.50 1.66 -3.87 0.11 3.00 0.28 -4.77 116.66 111.56 3gql n ARG 477 Ca 0.06 -0.97 -0.36 0.00 -0.01 0.00 0.00 57.85 56.58 3gql n ARG 477 Cb 0.34 -1.44 -0.14 0.00 0.00 0.00 0.00 32.46 31.22 3gql n ARG 477 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3gql s LEU 478 N -1.82 3.31 -0.51 0.55 2.96 -1.20 0.22 118.68 122.19 3gql s LEU 478 Ca 0.36 -0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3gql s LEU 478 Cb 0.19 -1.77 0.13 0.00 0.50 0.00 0.00 46.19 45.25 3gql s LEU 478 CO 0.30 -0.11 0.43 -0.69 -1.32 0.00 0.00 176.35 174.97 3gql s VAL 479 N 1.44 4.73 0.55 1.68 1.01 -0.34 -4.96 120.40 124.52 3gql s VAL 479 Ca 0.03 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 3gql s VAL 479 Cb -0.16 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3gql s VAL 479 CO -0.02 -0.83 1.26 -0.76 0.00 0.00 0.00 175.10 174.75 3gql s LEU 480 N 1.45 3.79 0.00 3.92 1.43 -1.26 -1.19 118.68 126.83 3gql s LEU 480 Ca 0.05 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 3gql s LEU 480 Cb -0.28 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3gql s LEU 480 CO 0.01 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.71 3gql n GLY 481 N 0.61 5.31 3.63 -3.19 0.00 0.79 -4.89 105.19 107.45 3gql n GLY 481 Ca 0.11 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 3gql n GLY 481 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gql n LYS 482 N 0.00 1.67 -2.56 1.61 5.02 -1.25 -4.41 118.16 118.24 3gql n LYS 482 Ca 0.00 0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 56.46 3gql n LYS 482 Cb 0.00 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 32.88 3gql n LYS 482 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3gql s PRO 483 N -1.11 4.41 0.00 1.97 0.04 -1.26 0.63 135.00 139.68 3gql s PRO 483 Ca 0.63 1.57 0.18 0.00 0.04 0.00 0.00 61.00 63.41 3gql s PRO 483 Cb -0.69 -3.51 0.79 0.00 0.04 0.00 0.00 34.50 31.13 3gql s PRO 483 CO 0.56 -0.33 1.55 1.28 0.04 0.00 0.00 177.00 180.10 3gql n LEU 484 N 4.80 0.96 0.00 -3.56 4.77 -0.03 -4.82 117.00 119.12 3gql n LEU 484 Ca 0.09 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3gql n LEU 484 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3gql n LEU 484 CO 0.54 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3gql n GLY 485 N 0.96 0.40 3.41 -0.72 0.00 -1.01 -4.94 105.19 103.29 3gql n GLY 485 Ca 0.14 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 3gql n GLY 485 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gql s GLU 486 N -0.41 0.52 0.00 1.61 4.04 -1.26 -2.21 118.70 120.98 3gql s GLU 486 Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 54.97 55.95 3gql s GLU 486 Cb 0.00 0.05 0.00 0.00 0.02 0.00 0.00 34.13 34.20 3gql s GLU 486 CO 0.00 -0.15 0.00 0.41 -1.84 0.00 0.00 175.26 173.68 3gql n GLY 487 N 4.20 -2.22 0.09 -3.83 0.00 -0.73 -4.87 105.19 97.83 3gql n GLY 487 Ca -0.22 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3gql n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gql n ALA 488 N -3.00 1.46 -1.35 4.61 0.00 -1.26 -4.11 120.51 116.86 3gql n ALA 488 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 3gql n ALA 488 Cb 0.00 -0.56 0.15 0.00 0.00 0.00 0.00 19.45 19.04 3gql n ALA 488 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3gql n PHE 489 N -2.97 2.64 -0.68 0.00 -1.74 -1.26 -5.01 117.46 108.44 3gql n PHE 489 Ca -0.25 -2.08 0.00 0.00 -0.56 0.00 0.00 57.45 54.56 3gql n PHE 489 Cb 1.09 -0.92 0.00 0.00 1.52 0.00 0.00 39.48 41.17 3gql n PHE 489 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3gql n GLY 490 N -1.07 -0.20 3.12 4.97 0.00 -1.26 -4.81 105.19 105.94 3gql n GLY 490 Ca 0.54 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 3gql n GLY 490 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gql s GLN 491 N -2.00 0.52 -0.06 1.61 -2.07 0.48 -1.77 119.66 116.36 3gql s GLN 491 Ca 0.00 -0.41 0.04 0.00 -1.82 0.00 0.00 55.36 53.17 3gql s GLN 491 Cb 0.00 0.22 -0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3gql s GLN 491 CO 0.00 -0.13 -0.20 0.08 -1.32 0.00 0.00 175.29 173.72 3gql s VAL 492 N -1.51 1.66 0.09 3.63 1.01 -0.94 -0.51 120.40 123.83 3gql s VAL 492 Ca -0.14 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.08 3gql s VAL 492 Cb -0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3gql s VAL 492 CO 0.01 0.47 -0.18 0.68 0.00 0.00 0.00 175.10 176.09 3gql s VAL 493 N 0.12 1.42 0.40 2.92 -7.23 -0.84 -0.85 120.40 116.34 3gql s VAL 493 Ca -0.08 -1.42 -0.24 0.00 -1.81 0.00 0.00 61.98 58.43 3gql s VAL 493 Cb -0.14 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.39 3gql s VAL 493 CO 0.04 -0.14 1.04 -0.22 -0.31 0.00 0.00 175.10 175.51 3gql s LEU 494 N -1.82 4.14 0.24 1.32 2.96 0.20 -1.54 118.68 124.18 3gql s LEU 494 Ca 0.02 2.00 -0.15 0.00 -0.22 0.00 0.00 54.13 55.79 3gql s LEU 494 Cb -0.10 -4.20 0.01 0.00 0.50 0.00 0.00 46.19 42.40 3gql s LEU 494 CO 0.03 -0.46 0.52 0.00 -1.32 0.00 0.00 176.35 175.12 3gql s ALA 495 N -1.69 -0.55 -0.20 5.97 0.00 -0.61 -0.15 121.76 124.54 3gql s ALA 495 Ca 0.58 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3gql s ALA 495 Cb -0.21 0.97 0.03 0.00 0.00 0.00 0.00 23.12 23.91 3gql s ALA 495 CO 0.26 -0.87 -0.18 -1.21 0.00 0.00 0.00 175.76 173.77 3gql s GLU 496 N -3.97 2.83 -0.24 0.00 2.02 -0.33 -0.84 118.70 118.17 3gql s GLU 496 Ca 0.17 -0.94 -0.16 0.00 0.02 0.00 0.00 54.97 54.06 3gql s GLU 496 Cb -0.02 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 3gql s GLU 496 CO 0.06 -0.29 0.41 0.00 0.02 0.00 0.00 175.26 175.46 3gql s ALA 497 N 1.25 3.57 0.16 5.21 0.00 -0.67 -1.19 121.76 130.10 3gql s ALA 497 Ca 0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 3gql s ALA 497 Cb -0.15 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 3gql s ALA 497 CO -0.11 -0.52 0.78 0.42 0.00 0.00 0.00 175.76 176.33 3gql s ILE 498 N 1.79 4.37 -1.23 0.00 1.01 0.13 -1.70 121.20 125.57 3gql s ILE 498 Ca 0.18 1.70 -0.25 0.00 0.00 0.00 0.00 60.65 62.28 3gql s ILE 498 Cb -0.15 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3gql s ILE 498 CO 0.09 0.52 0.65 0.61 0.00 0.00 0.00 174.94 176.81 3gql n GLY 499 N 1.61 -0.78 0.11 6.18 0.00 -0.17 -4.86 105.19 107.27 3gql n GLY 499 Ca -0.06 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.35 3gql n GLY 499 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gql h LEU 500 N -2.28 0.00 -1.23 0.99 6.46 -1.74 -3.29 115.31 114.22 3gql h LEU 500 Ca -0.69 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 56.99 3gql h LEU 500 Cb 1.39 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 3gql h LEU 500 CO 0.53 0.42 -0.38 -0.78 -0.62 0.00 0.00 178.44 177.61 3gql h ASP 501 N 0.00 0.01 0.00 1.25 1.82 -1.89 -3.46 116.42 114.14 3gql h ASP 501 Ca -0.10 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3gql h ASP 501 Cb 1.40 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.41 3gql h ASP 501 CO 0.04 0.39 0.00 0.29 -1.61 0.00 0.00 179.24 178.34 3gql n LYS 502 N -4.09 0.00 0.00 0.28 5.02 -1.24 -4.43 118.16 113.70 3gql n LYS 502 Ca -0.02 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 3gql n LYS 502 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3gql n LYS 502 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3gql n ASP 503 N 0.05 0.77 -3.16 4.39 8.00 -1.26 -4.54 116.55 120.79 3gql n ASP 503 Ca 0.00 -0.88 -0.23 0.00 0.71 0.00 0.00 54.79 54.39 3gql n ASP 503 Cb 0.00 0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 3gql n ASP 503 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gql n LYS 504 N -0.90 0.72 0.00 -1.24 5.02 -1.26 -4.98 118.16 115.53 3gql n LYS 504 Ca 0.03 -3.13 0.06 0.00 -2.02 0.00 0.00 58.31 53.25 3gql n LYS 504 Cb 0.19 -1.24 0.27 0.00 -0.02 0.00 0.00 35.03 34.22 3gql n LYS 504 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gql n PRO 505 N 1.39 0.00 -0.80 1.97 -0.04 -1.26 -2.78 135.00 133.47 3gql n PRO 505 Ca 0.20 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 3gql n PRO 505 Cb 0.54 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.89 3gql n PRO 505 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gql n ASN 506 N -1.51 5.42 -4.48 3.54 3.02 -1.26 -2.57 115.26 117.42 3gql n ASN 506 Ca 0.03 -2.77 -0.30 0.00 -0.03 0.00 0.00 54.58 51.51 3gql n ASN 506 Cb 0.15 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.54 3gql n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gql s ARG 507 N -2.45 2.02 -0.00 3.52 3.00 -1.12 -4.90 118.95 119.01 3gql s ARG 507 Ca 0.54 -1.03 -0.02 0.00 0.00 0.00 0.00 55.73 55.22 3gql s ARG 507 Cb 0.39 -2.19 -0.04 0.00 0.00 0.00 0.00 34.95 33.11 3gql s ARG 507 CO 0.19 0.52 0.15 0.08 0.00 0.00 0.00 175.30 176.24 3gql s VAL 508 N -1.01 5.17 -0.11 3.52 1.01 -1.26 -1.00 120.40 126.72 3gql s VAL 508 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3gql s VAL 508 Cb -0.11 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.91 3gql s VAL 508 CO 0.07 0.33 0.02 -0.89 0.00 0.00 0.00 175.10 174.63 3gql s THR 509 N -1.28 0.39 0.24 3.92 2.01 -0.69 -4.94 115.64 115.29 3gql s THR 509 Ca 0.26 -0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 3gql s THR 509 Cb -0.12 -0.69 -0.12 0.00 0.01 0.00 0.00 72.50 71.58 3gql s THR 509 CO 0.17 0.09 1.66 -0.75 -0.69 0.00 0.00 174.62 175.10 3gql s LYS 510 N 1.95 4.13 0.25 4.92 2.47 -1.26 -1.66 119.74 130.53 3gql s LYS 510 Ca 0.03 2.58 -0.02 0.00 -1.56 0.00 0.00 55.97 56.99 3gql s LYS 510 Cb -0.14 -3.06 -0.02 0.00 -1.46 0.00 0.00 37.83 33.15 3gql s LYS 510 CO -0.06 -0.69 0.28 0.14 0.16 0.00 0.00 175.35 175.17 3gql s VAL 511 N 0.66 0.00 -0.17 4.02 -7.23 -0.02 -4.44 120.40 113.23 3gql s VAL 511 Ca 0.69 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3gql s VAL 511 Cb -0.48 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 3gql s VAL 511 CO 0.39 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 175.04 3gql s ALA 512 N -3.86 2.53 -0.27 1.32 0.00 -0.97 -1.57 121.76 118.94 3gql s ALA 512 Ca 0.35 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 3gql s ALA 512 Cb 0.04 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3gql s ALA 512 CO 0.15 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.85 3gql s VAL 513 N 0.95 3.07 0.11 0.00 1.01 -0.59 -0.40 120.40 124.55 3gql s VAL 513 Ca -0.02 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 3gql s VAL 513 Cb -0.15 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3gql s VAL 513 CO -0.02 0.07 0.55 -0.75 0.00 0.00 0.00 175.10 174.96 3gql s LYS 514 N 1.32 4.08 0.29 2.72 2.20 -0.35 -1.98 119.74 128.01 3gql s LYS 514 Ca -0.01 0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 56.06 3gql s LYS 514 Cb -0.18 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3gql s LYS 514 CO -0.02 0.56 0.59 0.00 -0.36 0.00 0.00 175.35 176.12 3gql s MET 515 N -1.53 1.75 0.30 4.03 0.23 0.33 -1.91 119.30 122.51 3gql s MET 515 Ca 0.33 -1.26 -0.06 0.00 -1.03 0.00 0.00 55.69 53.68 3gql s MET 515 Cb -0.17 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 3gql s MET 515 CO 0.19 -0.77 0.58 -0.51 -2.03 0.00 0.00 175.02 172.48 3gql s LEU 516 N -3.02 4.03 0.60 0.18 1.43 -1.26 -0.39 118.68 120.25 3gql s LEU 516 Ca 0.19 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 3gql s LEU 516 Cb -0.03 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 3gql s LEU 516 CO 0.10 -0.22 0.96 -0.54 0.23 0.00 0.00 176.35 176.88 3gql s LYS 517 N -3.58 3.28 0.31 1.70 1.02 -1.26 -4.83 119.74 116.38 3gql s LYS 517 Ca 0.45 0.39 0.07 0.00 0.02 0.00 0.00 55.97 56.89 3gql s LYS 517 Cb -0.11 -2.18 0.76 0.00 -0.52 0.00 0.00 37.83 35.78 3gql s LYS 517 CO 0.30 -0.61 1.79 0.66 -0.92 0.00 0.00 175.35 176.57 3gql h SER 518 N -0.23 0.76 -0.80 2.83 4.64 -2.03 -0.45 113.55 118.28 3gql h SER 518 Ca -0.45 0.09 -0.54 0.00 -0.47 0.00 0.00 61.79 60.42 3gql h SER 518 Cb 1.22 -0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 3gql h SER 518 CO 0.62 0.29 0.69 -0.90 -0.87 0.00 0.00 176.83 176.66 3gql n ASP 519 N -4.72 7.10 -4.70 4.97 5.75 -1.26 -4.96 116.55 118.73 3gql n ASP 519 Ca 0.22 -3.50 -0.42 0.00 -0.01 0.00 0.00 54.79 51.08 3gql n ASP 519 Cb 0.56 -1.00 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 3gql n ASP 519 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gql s ALA 520 N -3.03 3.41 0.85 2.12 0.00 -0.18 -5.03 121.76 119.91 3gql s ALA 520 Ca 0.51 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 3gql s ALA 520 Cb 0.41 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 20.16 3gql s ALA 520 CO -0.00 -0.59 1.09 -0.08 0.00 0.00 0.00 175.76 176.18 3gql s THR 521 N 1.74 2.83 0.37 0.00 -1.32 -1.26 -4.92 115.64 113.08 3gql s THR 521 Ca 0.55 0.27 0.08 0.00 -1.21 0.00 0.00 61.69 61.39 3gql s THR 521 Cb -0.25 -2.85 0.15 0.00 -1.51 0.00 0.00 72.50 68.04 3gql s THR 521 CO 0.24 -0.35 1.89 -0.08 -2.21 0.00 0.00 174.62 174.11 3gql h GLU 522 N -1.36 0.29 -0.26 7.08 4.81 -2.01 -2.45 114.58 120.69 3gql h GLU 522 Ca -0.48 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 3gql h GLU 522 Cb 1.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3gql h GLU 522 CO 0.56 0.42 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.67 3gql h LYS 523 N 0.27 0.58 -0.14 1.92 3.64 -1.98 -2.62 116.57 118.24 3gql h LYS 523 Ca 0.05 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3gql h LYS 523 Cb 0.40 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3gql h LYS 523 CO 0.02 0.87 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.63 3gql h ASP 524 N 0.48 -0.05 -0.32 4.20 3.32 -1.80 0.38 116.42 122.63 3gql h ASP 524 Ca 0.05 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3gql h ASP 524 Cb 0.87 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3gql h ASP 524 CO 0.08 -0.01 0.18 0.25 -1.72 0.00 0.00 179.24 178.02 3gql h LEU 525 N 0.05 0.41 -0.05 1.55 5.85 -1.50 0.12 115.31 121.73 3gql h LEU 525 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gql h LEU 525 Cb 0.08 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3gql h LEU 525 CO -0.11 0.34 0.04 -1.28 -0.34 0.00 0.00 178.44 177.08 3gql h SER 526 N 0.47 0.06 -0.57 1.25 0.87 -0.71 -1.16 113.55 113.77 3gql h SER 526 Ca 0.12 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3gql h SER 526 Cb 0.02 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3gql h SER 526 CO -0.02 0.05 0.15 0.44 -0.53 0.00 0.00 176.83 176.91 3gql h ASP 527 N 0.07 0.88 -0.30 6.23 3.45 0.11 -1.54 116.42 125.34 3gql h ASP 527 Ca 0.02 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.27 3gql h ASP 527 Cb -0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 3gql h ASP 527 CO -0.00 0.86 0.01 0.25 -1.57 0.00 0.00 179.24 178.78 3gql h LEU 528 N 0.90 0.51 -0.46 1.55 5.85 -0.47 0.34 115.31 123.54 3gql h LEU 528 Ca 0.19 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3gql h LEU 528 Cb 0.32 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3gql h LEU 528 CO -0.00 0.68 0.07 0.40 -0.34 0.00 0.00 178.44 179.25 3gql h ILE 529 N 0.31 1.25 -0.86 4.05 2.04 -1.15 -1.88 117.51 121.27 3gql h ILE 529 Ca 0.08 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3gql h ILE 529 Cb 0.42 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3gql h ILE 529 CO 0.01 0.32 0.57 -1.28 0.00 0.00 0.00 178.15 177.77 3gql h SER 530 N 0.62 0.97 -0.50 1.72 0.87 -1.09 -1.46 113.55 114.68 3gql h SER 530 Ca 0.14 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 3gql h SER 530 Cb 0.39 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3gql h SER 530 CO 0.01 0.69 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.74 3gql h GLU 531 N 1.13 1.01 -0.33 2.24 4.81 -0.57 -2.45 114.58 120.41 3gql h GLU 531 Ca 0.33 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3gql h GLU 531 Cb -0.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3gql h GLU 531 CO -0.08 1.09 0.12 1.98 -0.73 0.00 0.00 179.01 181.38 3gql h MET 532 N 0.87 0.51 -0.64 1.92 4.05 -0.70 -2.44 114.93 118.51 3gql h MET 532 Ca 0.12 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3gql h MET 532 Cb 0.75 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 3gql h MET 532 CO 0.06 0.53 0.32 0.93 0.23 0.00 0.00 176.91 178.97 3gql h GLU 533 N 0.38 0.89 -0.60 0.39 4.39 -1.24 -1.27 114.58 117.53 3gql h GLU 533 Ca 0.11 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3gql h GLU 533 Cb 0.22 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3gql h GLU 533 CO -0.01 0.68 0.13 0.52 -1.16 0.00 0.00 179.01 179.17 3gql h MET 534 N 0.89 0.96 -0.24 2.33 2.86 -1.28 -1.37 114.93 119.08 3gql h MET 534 Ca 0.22 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3gql h MET 534 Cb 0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3gql h MET 534 CO -0.03 0.89 -0.01 0.52 1.06 0.00 0.00 176.91 179.34 3gql h MET 535 N 0.87 0.36 -0.20 1.72 2.86 -0.91 0.13 114.93 119.76 3gql h MET 535 Ca 0.19 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3gql h MET 535 Cb 0.37 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3gql h MET 535 CO 0.00 0.40 -0.02 0.87 1.06 0.00 0.00 176.91 179.22 3gql h LYS 536 N 0.35 0.36 0.58 1.72 1.57 -0.69 -3.02 116.57 117.43 3gql h LYS 536 Ca 0.08 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3gql h LYS 536 Cb 0.25 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3gql h LYS 536 CO 0.01 0.59 -0.35 0.52 -0.57 0.00 0.00 179.45 179.64 3gql h MET 537 N 0.11 -0.85 -0.99 3.15 2.86 -0.44 -3.16 114.93 115.61 3gql h MET 537 Ca 0.05 0.06 0.23 0.00 -2.06 0.00 0.00 59.70 57.98 3gql h MET 537 Cb 0.43 0.19 -0.09 0.00 0.06 0.00 0.00 31.60 32.20 3gql h MET 537 CO 0.01 -0.57 0.63 0.82 1.06 0.00 0.00 176.91 178.87 3gql h ILE 538 N -0.88 0.61 0.00 -1.22 2.04 -1.05 -3.48 117.51 113.53 3gql h ILE 538 Ca -0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gql h ILE 538 Cb 0.72 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3gql h ILE 538 CO 0.07 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3gql n GLY 539 N -1.44 -2.03 3.78 5.37 0.00 -1.14 -4.98 105.19 104.74 3gql n GLY 539 Ca 0.23 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3gql n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gql s LYS 540 N -2.65 2.62 -0.29 1.61 1.02 -1.26 -5.02 119.74 115.76 3gql s LYS 540 Ca 0.00 1.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.96 3gql s LYS 540 Cb 0.00 -1.94 0.18 0.00 -0.52 0.00 0.00 37.83 35.55 3gql s LYS 540 CO 0.00 -1.37 1.23 -1.58 -0.92 0.00 0.00 175.35 172.71 3gql s HIS 541 N -2.77 -0.23 0.27 3.18 2.46 -1.26 -5.07 115.29 111.87 3gql s HIS 541 Ca 0.62 0.49 -0.03 0.00 0.47 0.00 0.00 55.06 56.61 3gql s HIS 541 Cb -0.17 0.30 0.57 0.00 -0.13 0.00 0.00 32.58 33.15 3gql s HIS 541 CO 0.51 -0.11 1.62 -0.22 -2.47 0.00 0.00 174.74 174.07 3gql h LYS 542 N 4.49 0.11 -0.97 2.88 1.63 -1.97 -2.80 116.57 119.93 3gql h LYS 542 Ca -0.27 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.28 3gql h LYS 542 Cb 1.18 -0.02 -0.14 0.00 -0.60 0.00 0.00 32.23 32.64 3gql h LYS 542 CO 0.19 0.07 0.31 0.09 -3.45 0.00 0.00 179.45 176.65 3gql n ASN 543 N -5.35 3.42 -4.06 4.20 5.03 -1.26 -4.76 115.26 112.47 3gql n ASN 543 Ca 0.18 -2.81 -0.09 0.00 0.87 0.00 0.00 54.58 52.73 3gql n ASN 543 Cb 0.59 -0.67 -0.09 0.00 -1.02 0.00 0.00 39.78 38.59 3gql n ASN 543 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3gql s ILE 544 N -1.78 0.11 -0.21 2.41 -4.36 -1.06 -1.75 121.20 114.57 3gql s ILE 544 Ca 0.30 -1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 58.72 3gql s ILE 544 Cb 0.25 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 42.13 3gql s ILE 544 CO 0.06 -0.52 1.02 -0.63 0.24 0.00 0.00 174.94 175.11 3gql s ILE 545 N -3.99 4.71 0.02 8.37 -1.09 -0.39 -4.68 121.20 124.15 3gql s ILE 545 Ca 0.18 2.00 -0.01 0.00 -2.23 0.00 0.00 60.65 60.58 3gql s ILE 545 Cb 0.06 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3gql s ILE 545 CO -0.02 -0.14 0.18 0.20 -1.23 0.00 0.00 174.94 173.93 3gql s ASN 546 N 1.19 6.30 0.20 3.58 0.01 -1.26 -4.89 114.94 120.07 3gql s ASN 546 Ca 0.44 0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 52.58 3gql s ASN 546 Cb -0.16 -1.95 -0.08 0.00 0.41 0.00 0.00 41.25 39.48 3gql s ASN 546 CO 0.08 0.22 1.13 -0.22 -1.51 0.00 0.00 177.10 176.80 3gql s LEU 547 N -2.18 4.49 -0.02 0.60 2.96 -1.26 -1.62 118.68 121.65 3gql s LEU 547 Ca 0.30 2.16 0.06 0.00 -0.22 0.00 0.00 54.13 56.43 3gql s LEU 547 Cb -0.13 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3gql s LEU 547 CO 0.22 -0.25 0.10 0.18 -1.32 0.00 0.00 176.35 175.29 3gql n LEU 548 N 2.19 0.00 0.00 -0.68 4.77 0.20 -4.93 117.00 118.55 3gql n LEU 548 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3gql n LEU 548 Cb 0.45 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3gql n LEU 548 CO 0.54 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3gql n GLY 549 N 2.30 -1.50 3.51 -0.72 0.00 -1.08 -4.98 105.19 102.72 3gql n GLY 549 Ca -0.03 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 3gql n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gql s ALA 550 N -1.40 -1.77 -0.34 4.61 0.00 -0.46 -1.19 121.76 121.21 3gql s ALA 550 Ca 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3gql s ALA 550 Cb 0.00 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.23 3gql s ALA 550 CO 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 175.76 175.41 3gql n THR 552 N 4.54 0.00 -4.74 0.00 -2.24 -1.26 -0.88 114.28 109.69 3gql n THR 552 Ca -0.07 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 3gql n THR 552 Cb 0.42 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 3gql n THR 552 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gql s GLN 553 N -1.09 3.22 -0.88 -0.78 -1.52 -1.26 -4.68 119.66 112.66 3gql s GLN 553 Ca 0.05 -0.66 -0.00 0.00 -1.95 0.00 0.00 55.36 52.80 3gql s GLN 553 Cb 0.05 -2.62 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 3gql s GLN 553 CO 0.17 0.32 0.74 -0.25 -0.25 0.00 0.00 175.29 176.02 3gql n ASP 554 N 3.22 -2.29 0.00 5.90 8.00 -1.26 -4.87 116.55 125.25 3gql n ASP 554 Ca -0.18 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3gql n ASP 554 Cb 0.53 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 3gql n ASP 554 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gql n GLY 555 N -1.11 0.95 3.61 0.44 0.00 -1.26 -5.09 105.19 102.72 3gql n GLY 555 Ca -0.20 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 3gql n GLY 555 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gql n PRO 556 N -1.68 0.87 -2.23 1.61 -0.04 -1.26 -4.87 135.00 127.41 3gql n PRO 556 Ca 0.00 0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 3gql n PRO 556 Cb 0.00 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3gql n PRO 556 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gql s LEU 557 N -1.89 4.32 -0.26 1.53 2.96 -1.26 -4.73 118.68 119.36 3gql s LEU 557 Ca 0.75 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 3gql s LEU 557 Cb -0.42 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 42.76 3gql s LEU 557 CO 0.47 -0.70 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.40 3gql s TYR 558 N 2.25 3.19 -0.44 5.38 2.02 -0.06 -4.53 117.35 125.16 3gql s TYR 558 Ca 0.64 -2.05 -0.19 0.00 -0.37 0.00 0.00 57.07 55.10 3gql s TYR 558 Cb -0.32 -1.99 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3gql s TYR 558 CO 0.27 -0.84 0.55 0.08 -1.57 0.00 0.00 175.55 174.04 3gql s VAL 559 N 1.19 4.96 -0.21 0.71 1.01 -0.80 -0.34 120.40 126.91 3gql s VAL 559 Ca -0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3gql s VAL 559 Cb -0.19 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3gql s VAL 559 CO -0.05 -0.55 0.53 -0.63 0.00 0.00 0.00 175.10 174.40 3gql s ILE 560 N 2.47 5.09 0.09 2.22 1.01 -0.34 -1.21 121.20 130.53 3gql s ILE 560 Ca 0.16 0.96 0.01 0.00 0.00 0.00 0.00 60.65 61.78 3gql s ILE 560 Cb -0.16 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3gql s ILE 560 CO 0.15 0.15 0.02 1.33 0.00 0.00 0.00 174.94 176.59 3gql n VAL 561 N 4.71 0.00 -2.71 2.92 0.24 0.47 0.61 118.33 124.57 3gql n VAL 561 Ca -0.04 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.41 3gql n VAL 561 Cb 0.50 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 3gql n VAL 561 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3gql s GLU 562 N -2.34 4.26 -0.13 7.34 2.02 -0.64 -2.30 118.70 126.91 3gql s GLU 562 Ca 0.03 1.31 -0.14 0.00 0.02 0.00 0.00 54.97 56.19 3gql s GLU 562 Cb 0.00 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 3gql s GLU 562 CO 0.02 -0.02 0.32 -0.47 0.02 0.00 0.00 175.26 175.13 3gql s TYR 563 N -1.87 3.52 -0.54 1.61 5.04 -1.26 -4.38 117.35 119.47 3gql s TYR 563 Ca 0.58 0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3gql s TYR 563 Cb -0.16 -2.33 0.14 0.00 0.35 0.00 0.00 41.96 39.96 3gql s TYR 563 CO 0.20 0.33 0.34 0.00 -1.34 0.00 0.00 175.55 175.09 3gql s ALA 564 N 0.14 3.41 -0.96 3.97 0.00 -1.26 -4.77 121.76 122.29 3gql s ALA 564 Ca 0.19 -3.01 0.09 0.00 0.00 0.00 0.00 51.96 49.22 3gql s ALA 564 Cb -0.14 -2.53 0.39 0.00 0.00 0.00 0.00 23.12 20.84 3gql s ALA 564 CO 0.06 -1.99 1.28 -1.13 0.00 0.00 0.00 175.76 173.98 3gql n SER 565 N 3.83 0.04 -1.05 0.00 3.41 -1.23 -3.32 113.62 115.30 3gql n SER 565 Ca 0.04 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 3gql n SER 565 Cb 0.39 -0.52 0.21 0.00 -0.26 0.00 0.00 64.21 64.02 3gql n SER 565 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gql n LYS 566 N -1.55 1.99 0.00 4.33 5.02 -0.98 -4.92 118.16 122.04 3gql n LYS 566 Ca 0.02 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 3gql n LYS 566 Cb 0.10 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3gql n LYS 566 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gql n GLY 567 N -1.04 -1.07 3.91 0.72 0.00 -1.21 -4.42 105.19 102.08 3gql n GLY 567 Ca 0.30 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3gql n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gql s ASN 568 N -4.00 5.19 0.23 1.61 2.20 -1.26 -1.31 114.94 117.60 3gql s ASN 568 Ca 0.00 0.79 -0.06 0.00 -0.94 0.00 0.00 52.86 52.66 3gql s ASN 568 Cb 0.00 -1.56 0.38 0.00 -2.00 0.00 0.00 41.25 38.07 3gql s ASN 568 CO 0.00 -1.41 1.77 0.25 -2.94 0.00 0.00 177.10 174.76 3gql h LEU 569 N -0.57 0.44 0.16 3.54 5.85 0.16 -1.21 115.31 123.68 3gql h LEU 569 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3gql h LEU 569 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3gql h LEU 569 CO 0.62 0.23 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.70 3gql h ARG 570 N 0.58 -0.34 -0.15 1.25 2.43 -1.83 -0.07 114.38 116.25 3gql h ARG 570 Ca 0.38 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.60 3gql h ARG 570 Cb 0.45 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3gql h ARG 570 CO -0.31 -0.23 -0.08 0.93 -1.51 0.00 0.00 179.97 178.78 3gql h GLU 571 N -0.36 -0.07 -0.70 0.20 5.08 -1.80 -1.73 114.58 115.20 3gql h GLU 571 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 3gql h GLU 571 Cb 0.34 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 3gql h GLU 571 CO -0.04 -0.05 0.15 -0.92 -1.00 0.00 0.00 179.01 177.15 3gql h TYR 572 N -0.07 0.23 0.48 4.33 3.20 -0.94 -0.99 116.97 123.20 3gql h TYR 572 Ca 0.08 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3gql h TYR 572 Cb 0.20 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3gql h TYR 572 CO -0.22 -0.08 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.92 3gql h LEU 573 N 0.25 -0.55 -1.29 2.82 3.38 -0.59 -3.10 115.31 116.23 3gql h LEU 573 Ca 0.38 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.41 3gql h LEU 573 Cb 0.63 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3gql h LEU 573 CO -0.49 -0.20 0.56 1.56 0.09 0.00 0.00 178.44 179.96 3gql h GLN 574 N -0.94 0.70 0.00 1.13 4.20 -0.78 0.28 115.11 119.69 3gql h GLN 574 Ca -0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gql h GLN 574 Cb 0.60 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3gql h GLN 574 CO 0.11 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 3gql n ALA 575 N -2.43 1.74 -1.55 3.87 0.00 -0.40 -2.80 120.51 118.94 3gql n ALA 575 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.57 3gql n ALA 575 Cb 0.43 -1.26 0.21 0.00 0.00 0.00 0.00 19.45 18.82 3gql n ALA 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gql n ARG 576 N -1.49 1.67 -3.22 0.00 1.74 0.97 -4.89 116.66 111.44 3gql n ARG 576 Ca 0.04 -3.27 -0.35 0.00 -0.77 0.00 0.00 57.85 53.50 3gql n ARG 576 Cb 0.19 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3gql n ARG 576 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gql s ARG 577 N -3.25 4.07 0.59 5.56 0.52 -1.12 -4.37 118.95 120.95 3gql s ARG 577 Ca 0.40 0.65 -0.08 0.00 -0.52 0.00 0.00 55.73 56.18 3gql s ARG 577 Cb 0.38 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 3gql s ARG 577 CO -0.05 0.36 0.94 -1.25 0.02 0.00 0.00 175.30 175.32 3gql s PRO 578 N -2.28 3.27 -0.74 3.54 0.04 -1.26 -5.07 135.00 132.50 3gql s PRO 578 Ca 0.44 0.35 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 3gql s PRO 578 Cb -0.14 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3gql s PRO 578 CO 0.20 -0.59 1.74 -1.25 0.04 0.00 0.00 177.00 177.14 3gql s PRO 579 N -5.04 2.79 1.02 0.56 0.04 -1.26 -4.75 135.00 128.36 3gql s PRO 579 Ca 0.53 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 3gql s PRO 579 Cb -0.11 -4.59 -0.15 0.00 0.04 0.00 0.00 34.50 29.69 3gql s PRO 579 CO 0.49 -2.74 -1.32 -0.85 0.04 0.00 0.00 177.00 172.62 3gql n GLU 593 N 9.12 -0.26 -3.95 4.56 0.28 -1.26 -5.21 120.64 123.93 3gql n GLU 593 Ca 0.23 -0.07 -0.22 0.00 -0.16 0.00 0.00 57.16 56.94 3gql n GLU 593 Cb 0.50 -1.11 -0.05 0.00 1.43 0.00 0.00 31.44 32.21 3gql n GLU 593 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3gql n GLN 594 N 1.77 0.78 -3.90 3.44 6.02 -1.26 -4.73 117.38 119.50 3gql n GLN 594 Ca -0.02 -2.76 -0.27 0.00 -0.01 0.00 0.00 57.00 53.94 3gql n GLN 594 Cb 0.74 1.25 -0.17 0.00 1.02 0.00 0.00 30.24 33.08 3gql n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gql s LEU 595 N 0.00 1.20 0.97 1.08 1.43 -1.26 -5.11 118.68 116.99 3gql s LEU 595 Ca 0.11 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3gql s LEU 595 Cb 0.01 -0.84 0.17 0.00 0.03 0.00 0.00 46.19 45.55 3gql s LEU 595 CO 0.08 -0.12 1.08 -0.94 0.23 0.00 0.00 176.35 176.68 3gql s SER 596 N 1.71 2.77 0.49 2.29 1.04 -1.26 -4.35 113.70 116.38 3gql s SER 596 Ca 0.05 1.54 0.15 0.00 0.48 0.00 0.00 55.95 58.17 3gql s SER 596 Cb -0.13 -2.20 1.15 0.00 0.10 0.00 0.00 66.02 64.94 3gql s SER 596 CO -0.08 -3.09 2.08 -1.28 0.98 0.00 0.00 173.24 171.85 3gql h SER 597 N -1.86 0.01 -0.29 7.02 0.87 -0.54 -2.09 113.55 116.68 3gql h SER 597 Ca -0.52 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.90 3gql h SER 597 Cb 1.30 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3gql h SER 597 CO 0.53 0.08 -0.37 0.50 -0.53 0.00 0.00 176.83 177.04 3gql h LYS 598 N 0.01 0.76 -1.00 2.24 3.64 -1.80 -3.07 116.57 117.35 3gql h LYS 598 Ca 0.00 -0.43 0.22 0.00 -1.27 0.00 0.00 60.65 59.17 3gql h LYS 598 Cb 0.13 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 3gql h LYS 598 CO 0.01 1.06 0.62 -0.44 -2.27 0.00 0.00 179.45 178.43 3gql h ASP 599 N 0.51 0.63 -0.23 4.20 3.32 -1.69 0.68 116.42 123.84 3gql h ASP 599 Ca 0.04 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3gql h ASP 599 Cb 0.96 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3gql h ASP 599 CO 0.09 0.19 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.32 3gql h LEU 600 N 0.60 0.75 -0.30 1.55 3.38 -1.49 -1.93 115.31 117.86 3gql h LEU 600 Ca 0.58 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3gql h LEU 600 Cb 1.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3gql h LEU 600 CO -0.34 1.14 -0.21 0.58 0.09 0.00 0.00 178.44 179.70 3gql h VAL 601 N 0.38 1.30 0.00 1.22 2.07 -1.14 -1.08 116.25 119.00 3gql h VAL 601 Ca 0.01 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 3gql h VAL 601 Cb 1.00 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3gql h VAL 601 CO 0.09 0.43 -0.26 0.77 0.02 0.00 0.00 177.57 178.62 3gql h SER 602 N 0.41 0.00 -0.43 0.57 4.64 -0.99 0.05 113.55 117.80 3gql h SER 602 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3gql h SER 602 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3gql h SER 602 CO 0.06 0.26 -0.04 0.00 -0.87 0.00 0.00 176.83 176.23 3gql h ALA 604 N 0.88 0.99 0.02 0.00 0.00 -0.05 -3.06 119.26 118.04 3gql h ALA 604 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gql h ALA 604 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gql h ALA 604 CO 0.03 0.23 -0.01 -0.92 0.00 0.00 0.00 179.25 178.59 3gql h TYR 605 N 0.00 -0.02 -0.29 0.00 3.20 -0.27 -2.49 116.97 117.10 3gql h TYR 605 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3gql h TYR 605 Cb 0.77 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 3gql h TYR 605 CO 0.00 0.32 0.16 1.96 -1.64 0.00 0.00 178.16 178.96 3gql h GLN 606 N -0.37 0.33 -0.92 1.82 4.20 -1.30 -1.10 115.11 117.78 3gql h GLN 606 Ca -0.00 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3gql h GLN 606 Cb 0.35 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3gql h GLN 606 CO 0.00 0.22 0.60 0.28 -0.67 0.00 0.00 178.83 179.26 3gql h VAL 607 N 0.34 1.08 -0.03 -0.54 2.07 -1.56 0.66 116.25 118.28 3gql h VAL 607 Ca 0.11 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 3gql h VAL 607 Cb -0.00 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 3gql h VAL 607 CO -0.05 0.19 -0.51 0.00 0.02 0.00 0.00 177.57 177.22 3gql h ALA 608 N 1.50 1.10 0.56 1.67 0.00 -0.92 -1.43 119.26 121.73 3gql h ALA 608 Ca 0.39 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3gql h ALA 608 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gql h ALA 608 CO -0.14 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 3gql h ARG 609 N 0.06 -0.72 -1.01 0.00 3.08 0.32 -0.61 114.38 115.50 3gql h ARG 609 Ca -0.00 0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.33 3gql h ARG 609 Cb 0.93 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 3gql h ARG 609 CO 0.07 -0.41 0.63 0.78 -1.07 0.00 0.00 179.97 179.97 3gql h GLY 610 N -1.00 1.52 2.00 0.04 0.00 -1.10 0.17 103.07 104.70 3gql h GLY 610 Ca -0.08 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3gql h GLY 610 CO 0.13 -0.13 -0.65 -0.33 0.00 0.00 0.00 176.54 175.55 3gql h MET 611 N 0.55 0.00 0.07 4.80 2.86 -1.03 -2.04 114.93 120.12 3gql h MET 611 Ca 0.59 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.97 3gql h MET 611 Cb 1.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 3gql h MET 611 CO -0.36 0.65 -1.25 1.05 1.06 0.00 0.00 176.91 178.06 3gql h GLU 612 N 0.00 0.14 0.38 1.72 4.11 0.85 -1.23 114.58 120.54 3gql h GLU 612 Ca -0.01 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 3gql h GLU 612 Cb 1.17 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3gql h GLU 612 CO 0.08 1.05 -0.21 -0.92 0.07 0.00 0.00 179.01 179.08 3gql h TYR 613 N 0.04 -0.56 -0.55 2.06 3.20 -0.87 0.29 116.97 120.58 3gql h TYR 613 Ca -0.12 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.78 3gql h TYR 613 Cb 1.91 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 40.33 3gql h TYR 613 CO 0.03 -0.34 0.31 -0.07 -1.64 0.00 0.00 178.16 176.46 3gql h LEU 614 N -0.56 0.47 -0.95 2.82 3.38 -1.43 -0.79 115.31 118.25 3gql h LEU 614 Ca -0.04 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3gql h LEU 614 Cb 0.45 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3gql h LEU 614 CO 0.06 0.33 0.61 0.00 0.09 0.00 0.00 178.44 179.52 3gql h ALA 615 N 1.27 1.30 -0.05 1.53 0.00 -0.88 -0.64 119.26 121.78 3gql h ALA 615 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3gql h ALA 615 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gql h ALA 615 CO -0.13 0.43 -0.29 0.66 0.00 0.00 0.00 179.25 179.91 3gql h SER 616 N 1.14 0.09 -0.19 0.00 4.64 0.88 -1.77 113.55 118.35 3gql h SER 616 Ca 0.40 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.66 3gql h SER 616 Cb 0.10 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3gql h SER 616 CO -0.15 0.39 0.04 0.29 -0.87 0.00 0.00 176.83 176.52 3gql n LYS 617 N -4.16 1.97 -0.49 4.77 4.01 -0.37 -4.84 118.16 119.04 3gql n LYS 617 Ca -0.02 -0.90 0.00 0.00 -0.51 0.00 0.00 58.31 56.89 3gql n LYS 617 Cb 0.36 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 3gql n LYS 617 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3gql n LYS 618 N 0.15 0.00 -2.47 1.97 4.76 -0.66 -4.96 118.16 116.95 3gql n LYS 618 Ca 0.10 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 3gql n LYS 618 Cb 0.59 -3.24 -0.03 0.00 -1.84 0.00 0.00 35.03 30.51 3gql n LYS 618 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gql s ILE 620 N 1.05 3.02 0.11 0.00 1.01 -1.26 -3.74 121.20 121.39 3gql s ILE 620 Ca 0.58 -1.13 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 3gql s ILE 620 Cb -0.28 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 3gql s ILE 620 CO 0.29 0.07 1.71 -0.74 0.00 0.00 0.00 174.94 176.27 3gql h HIS 621 N 8.03 0.30 0.00 3.97 2.76 -1.90 -3.47 115.15 124.83 3gql h HIS 621 Ca -0.28 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 3gql h HIS 621 Cb 1.09 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.96 3gql h HIS 621 CO 0.59 0.26 0.00 0.54 -1.30 0.00 0.00 177.93 178.03 3gql n ARG 622 N -4.88 0.00 -2.73 5.26 1.74 -1.26 -4.78 116.66 110.01 3gql n ARG 622 Ca -0.03 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.97 3gql n ARG 622 Cb 0.07 -2.85 0.07 0.00 -1.02 0.00 0.00 32.46 28.72 3gql n ARG 622 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gql n ASP 623 N 0.00 -2.49 -4.75 0.55 2.03 -1.26 -5.03 116.55 105.60 3gql n ASP 623 Ca 0.00 -3.14 -0.38 0.00 0.52 0.00 0.00 54.79 51.79 3gql n ASP 623 Cb 0.00 1.69 -0.06 0.00 -0.72 0.00 0.00 41.12 42.03 3gql n ASP 623 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gql s LEU 624 N -1.03 4.35 -0.23 -2.67 2.96 -1.26 -4.86 118.68 115.94 3gql s LEU 624 Ca 0.28 0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 54.82 3gql s LEU 624 Cb 0.24 -2.73 0.16 0.00 0.50 0.00 0.00 46.19 44.37 3gql s LEU 624 CO -0.18 0.09 1.21 0.00 -1.32 0.00 0.00 176.35 176.16 3gql s ALA 625 N 0.08 -2.05 0.40 5.97 0.00 -1.26 -4.77 121.76 120.14 3gql s ALA 625 Ca 0.27 1.75 0.24 0.00 0.00 0.00 0.00 51.96 54.22 3gql s ALA 625 Cb -0.16 -1.08 1.31 0.00 0.00 0.00 0.00 23.12 23.19 3gql s ALA 625 CO 0.13 -0.30 1.64 0.00 0.00 0.00 0.00 175.76 177.22 3gql h ALA 626 N 2.23 2.44 0.00 0.00 0.00 -1.91 0.72 119.26 122.74 3gql h ALA 626 Ca -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gql h ALA 626 Cb 1.18 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3gql h ALA 626 CO 0.25 -1.06 -0.19 0.07 0.00 0.00 0.00 179.25 178.32 3gql h ARG 627 N 0.16 0.00 -0.84 0.00 0.11 -1.94 -1.78 114.38 110.08 3gql h ARG 627 Ca 0.78 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.61 3gql h ARG 627 Cb 2.22 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 33.16 3gql h ARG 627 CO -0.49 0.19 0.32 0.09 0.10 0.00 0.00 179.97 180.17 3gql n ASN 628 N -3.97 4.27 -3.81 0.08 3.02 0.25 -4.73 115.26 110.36 3gql n ASN 628 Ca -0.02 -3.12 -0.25 0.00 -0.03 0.00 0.00 54.58 51.15 3gql n ASN 628 Cb 0.28 -0.73 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 3gql n ASN 628 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gql s VAL 629 N -2.68 0.65 0.14 2.41 1.01 -0.73 -0.87 120.40 120.32 3gql s VAL 629 Ca 0.48 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3gql s VAL 629 Cb 0.39 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3gql s VAL 629 CO 0.11 0.16 0.14 -0.76 0.00 0.00 0.00 175.10 174.75 3gql s LEU 630 N 1.84 3.88 -0.08 3.92 1.43 -0.05 0.12 118.68 129.75 3gql s LEU 630 Ca 0.03 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3gql s LEU 630 Cb -0.14 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 3gql s LEU 630 CO -0.07 0.10 -0.14 -0.69 0.23 0.00 0.00 176.35 175.78 3gql s VAL 631 N -1.65 3.08 0.54 -1.59 1.01 -0.42 0.04 120.40 121.40 3gql s VAL 631 Ca 0.31 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3gql s VAL 631 Cb -0.11 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.09 3gql s VAL 631 CO 0.24 0.57 0.74 0.42 0.00 0.00 0.00 175.10 177.07 3gql s THR 632 N -0.36 2.57 0.59 3.92 -4.23 -1.00 -2.33 115.64 114.81 3gql s THR 632 Ca 0.04 -0.85 0.31 0.00 -1.18 0.00 0.00 61.69 60.00 3gql s THR 632 Cb -0.12 -2.72 0.31 0.00 1.34 0.00 0.00 72.50 71.31 3gql s THR 632 CO 0.02 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 175.97 3gql h GLU 633 N 0.20 0.00 -0.49 3.99 4.57 -1.91 0.62 114.58 121.56 3gql h GLU 633 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3gql h GLU 633 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3gql h GLU 633 CO 0.45 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.03 3gql n ASP 634 N -2.84 4.38 -3.62 1.04 10.43 -1.26 -4.95 116.55 119.73 3gql n ASP 634 Ca -0.02 -2.60 -0.24 0.00 2.57 0.00 0.00 54.79 54.50 3gql n ASP 634 Cb 0.31 -0.53 0.08 0.00 1.84 0.00 0.00 41.12 42.82 3gql n ASP 634 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3gql n ASN 635 N 0.52 -5.87 -4.70 -2.24 3.02 0.22 -4.97 115.26 101.24 3gql n ASN 635 Ca 0.23 -0.57 -0.35 0.00 -0.03 0.00 0.00 54.58 53.85 3gql n ASN 635 Cb 0.86 -4.93 -0.09 0.00 -0.61 0.00 0.00 39.78 35.02 3gql n ASN 635 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gql s VAL 636 N -3.32 5.26 -0.22 2.41 1.01 -1.26 -4.82 120.40 119.47 3gql s VAL 636 Ca 0.55 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3gql s VAL 636 Cb -0.24 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3gql s VAL 636 CO 0.74 0.44 1.28 -0.04 0.00 0.00 0.00 175.10 177.52 3gql s MET 637 N 0.42 4.11 -0.21 2.72 -1.94 -1.26 -2.38 119.30 120.75 3gql s MET 637 Ca 0.07 1.51 0.02 0.00 -1.71 0.00 0.00 55.69 55.58 3gql s MET 637 Cb -0.11 -3.81 0.04 0.00 2.01 0.00 0.00 34.83 32.96 3gql s MET 637 CO -0.01 -0.87 -0.13 0.15 -0.01 0.00 0.00 175.02 174.15 3gql s LYS 638 N 3.76 2.34 0.33 2.03 1.02 0.11 -4.33 119.74 125.01 3gql s LYS 638 Ca 0.56 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 3gql s LYS 638 Cb -0.20 -2.60 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 3gql s LYS 638 CO 0.18 -0.42 1.32 0.42 -0.92 0.00 0.00 175.35 175.93 3gql s ILE 639 N 1.28 2.68 0.27 2.17 1.01 -0.72 -0.87 121.20 127.02 3gql s ILE 639 Ca -0.02 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.40 3gql s ILE 639 Cb -0.17 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3gql s ILE 639 CO -0.08 0.16 -0.13 0.00 0.00 0.00 0.00 174.94 174.89 3gql s ALA 640 N -1.14 2.50 -1.46 9.38 0.00 -0.05 -1.26 121.76 129.73 3gql s ALA 640 Ca 0.49 -1.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 3gql s ALA 640 Cb -0.40 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.72 3gql s ALA 640 CO 0.53 0.10 0.93 -0.25 0.00 0.00 0.00 175.76 177.07 3gql n ASP 641 N -0.58 -3.98 0.03 0.00 8.00 -1.26 -4.85 116.55 113.91 3gql n ASP 641 Ca -0.06 -0.77 0.12 0.00 0.71 0.00 0.00 54.79 54.79 3gql n ASP 641 Cb 0.62 -4.05 0.18 0.00 -0.02 0.00 0.00 41.12 37.85 3gql n ASP 641 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3gql n PHE 642 N -4.61 0.32 -2.22 1.24 1.16 -1.26 -4.25 117.46 107.84 3gql n PHE 642 Ca -0.05 0.09 -0.34 0.00 -1.87 0.00 0.00 57.45 55.28 3gql n PHE 642 Cb 0.57 -0.49 0.02 0.00 -1.61 0.00 0.00 39.48 37.97 3gql n PHE 642 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gql n GLY 643 N 1.40 5.76 3.60 4.97 0.00 -1.26 -4.72 105.19 114.94 3gql n GLY 643 Ca 0.04 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.15 3gql n GLY 643 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gql s LEU 644 N -3.83 2.04 0.23 0.99 1.43 -1.26 -4.50 118.68 113.78 3gql s LEU 644 Ca 0.50 -1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 3gql s LEU 644 Cb 0.41 -0.23 0.04 0.00 0.03 0.00 0.00 46.19 46.44 3gql s LEU 644 CO -0.30 -0.98 0.82 0.00 0.23 0.00 0.00 176.35 176.12 3gql s ALA 645 N -3.09 -1.40 0.00 4.21 0.00 -1.26 -5.06 121.76 115.16 3gql s ALA 645 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3gql s ALA 645 Cb 0.01 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3gql s ALA 645 CO 0.11 -1.04 0.00 2.89 0.00 0.00 0.00 175.76 177.72 3gql n ARG 646 N -0.47 0.00 -1.59 0.00 -4.01 -1.26 -5.20 116.66 104.13 3gql n ARG 646 Ca -0.05 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.71 3gql n ARG 646 Cb 0.60 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.02 3gql n ARG 646 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3gql n ASN 659 N 0.00 -1.14 0.26 2.89 3.02 -1.26 -5.35 115.26 113.68 3gql n ASN 659 Ca 0.00 -2.04 0.17 0.00 -0.03 0.00 0.00 54.58 52.68 3gql n ASN 659 Cb 0.00 0.43 0.69 0.00 -0.61 0.00 0.00 39.78 40.29 3gql n ASN 659 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3gql h GLY 660 N 0.35 0.00 -1.51 7.41 0.00 -2.08 -3.30 103.07 103.95 3gql h GLY 660 Ca -0.51 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3gql h GLY 660 CO -0.25 0.00 -0.58 0.54 0.00 0.00 0.00 176.54 176.26 3gql n ARG 661 N -2.94 0.00 -2.90 4.80 1.74 -1.26 -5.04 116.66 111.06 3gql n ARG 661 Ca 0.01 -1.15 -0.11 0.00 -0.77 0.00 0.00 57.85 55.82 3gql n ARG 661 Cb 0.28 -0.30 0.06 0.00 -1.02 0.00 0.00 32.46 31.47 3gql n ARG 661 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gql n LEU 662 N 0.12 -3.87 -0.35 0.55 4.77 -1.24 -4.97 117.00 112.01 3gql n LEU 662 Ca 0.00 -0.46 0.07 0.00 -0.03 0.00 0.00 56.01 55.59 3gql n LEU 662 Cb 0.79 -2.38 0.24 0.00 -2.33 0.00 0.00 43.42 39.75 3gql n LEU 662 CO -0.01 0.19 1.24 -0.65 -1.33 0.00 0.00 177.39 176.83 3gql h PRO 663 N -1.12 0.97 -1.27 3.23 0.11 -1.96 -3.23 132.00 128.73 3gql h PRO 663 Ca -0.42 -0.06 0.42 0.00 0.11 0.00 0.00 66.00 66.05 3gql h PRO 663 Cb 1.23 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 3gql h PRO 663 CO 0.34 0.64 0.84 0.28 -0.21 0.00 0.00 178.00 179.89 3gql n VAL 664 N -4.59 -0.16 0.70 3.15 0.31 -1.26 0.30 118.33 116.78 3gql n VAL 664 Ca 0.18 1.43 0.07 0.00 -0.01 0.00 0.00 64.34 66.01 3gql n VAL 664 Cb 0.33 -2.35 0.37 0.00 -0.91 0.00 0.00 33.84 31.28 3gql n VAL 664 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3gql n LYS 665 N -4.17 0.23 0.00 5.55 5.02 -1.22 -2.03 118.16 121.54 3gql n LYS 665 Ca 0.34 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 3gql n LYS 665 Cb 1.39 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.92 3gql n LYS 665 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3gql n TRP 666 N -1.26 0.00 -3.15 2.13 8.01 0.15 -4.95 117.44 118.36 3gql n TRP 666 Ca 0.07 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.87 3gql n TRP 666 Cb 0.11 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.35 3gql n TRP 666 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3gql s MET 667 N -1.07 4.36 0.89 -0.99 -1.94 -0.86 -3.90 119.30 115.79 3gql s MET 667 Ca 0.08 0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 54.77 3gql s MET 667 Cb 0.07 -3.34 0.12 0.00 2.01 0.00 0.00 34.83 33.70 3gql s MET 667 CO 0.18 0.38 1.09 0.00 -0.01 0.00 0.00 175.02 176.66 3gql s ALA 668 N -0.26 1.62 0.08 3.03 0.00 -1.26 -4.71 121.76 120.26 3gql s ALA 668 Ca 0.33 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 3gql s ALA 668 Cb -0.19 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 3gql s ALA 668 CO 0.19 -2.29 1.49 -1.35 0.00 0.00 0.00 175.76 173.80 3gql h PRO 669 N -1.50 -0.78 -0.46 0.00 0.11 -1.96 0.18 132.00 127.59 3gql h PRO 669 Ca -0.50 0.05 0.13 0.00 0.11 0.00 0.00 66.00 65.80 3gql h PRO 669 Cb 1.29 0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.56 3gql h PRO 669 CO 0.56 -0.52 0.34 1.05 -0.21 0.00 0.00 178.00 179.22 3gql h GLU 670 N -0.81 0.00 0.00 1.05 9.09 -1.92 0.33 114.58 122.31 3gql h GLU 670 Ca -0.04 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.19 3gql h GLU 670 Cb 0.73 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.81 3gql h GLU 670 CO -0.12 0.00 -0.93 0.00 0.05 0.00 0.00 179.01 178.00 3gql h ALA 671 N 1.75 0.48 0.15 1.06 0.00 -1.52 -1.60 119.26 119.57 3gql h ALA 671 Ca 0.22 -0.83 -0.21 0.00 0.00 0.00 0.00 54.91 54.09 3gql h ALA 671 Cb 0.90 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.64 3gql h ALA 671 CO -0.00 1.09 -0.95 1.25 0.00 0.00 0.00 179.25 180.64 3gql h LEU 672 N 0.00 0.49 0.00 0.00 5.85 0.19 -2.81 115.31 119.03 3gql h LEU 672 Ca -0.03 -0.94 -0.15 0.00 0.84 0.00 0.00 57.88 57.60 3gql h LEU 672 Cb 1.68 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 3gql h LEU 672 CO 0.11 1.45 -1.24 -0.26 -0.34 0.00 0.00 178.44 178.16 3gql h PHE 673 N -0.32 0.00 0.00 1.25 0.04 -0.62 -3.41 116.94 113.88 3gql h PHE 673 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 3gql h PHE 673 Cb 1.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 3gql h PHE 673 CO 0.18 0.52 -0.23 -0.25 -0.60 0.00 0.00 178.31 177.93 3gql n ASP 674 N -2.93 0.63 -4.17 2.17 8.00 -0.64 -5.02 116.55 114.58 3gql n ASP 674 Ca -0.07 -1.95 -0.34 0.00 0.71 0.00 0.00 54.79 53.15 3gql n ASP 674 Cb 0.80 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 3gql n ASP 674 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gql n ARG 675 N -0.31 -3.01 -3.42 -1.24 3.00 -1.06 -4.90 116.66 105.71 3gql n ARG 675 Ca 0.03 0.36 -0.44 0.00 -0.01 0.00 0.00 57.85 57.79 3gql n ARG 675 Cb 0.59 -4.86 -0.06 0.00 0.00 0.00 0.00 32.46 28.13 3gql n ARG 675 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gql s ILE 676 N -3.51 4.80 -0.16 0.55 1.01 -0.97 -4.94 121.20 117.99 3gql s ILE 676 Ca 0.52 -1.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 3gql s ILE 676 Cb -0.29 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 3gql s ILE 676 CO 0.93 -0.85 0.23 -0.31 0.00 0.00 0.00 174.94 174.93 3gql s TYR 677 N 1.32 3.48 0.16 3.97 1.51 -1.26 -3.81 117.35 122.72 3gql s TYR 677 Ca 0.06 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 3gql s TYR 677 Cb -0.26 -2.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.36 3gql s TYR 677 CO 0.00 0.35 0.20 0.25 -1.11 0.00 0.00 175.55 175.24 3gql n THR 678 N 3.22 0.00 0.08 -0.71 -2.24 -1.26 -5.00 114.28 108.37 3gql n THR 678 Ca -0.14 -0.89 -0.06 0.00 -2.27 0.00 0.00 64.05 60.69 3gql n THR 678 Cb 0.52 0.52 0.10 0.00 -2.10 0.00 0.00 70.33 69.37 3gql n THR 678 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3gql h HIS 679 N 1.47 0.32 -0.10 4.78 3.86 -1.97 -2.55 115.15 120.95 3gql h HIS 679 Ca -0.12 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 58.84 3gql h HIS 679 Cb 0.55 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3gql h HIS 679 CO 0.00 0.81 -0.48 -0.56 0.86 0.00 0.00 177.93 178.56 3gql h GLN 680 N 0.18 0.27 0.00 2.45 3.07 -1.91 -1.44 115.11 117.72 3gql h GLN 680 Ca -0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 58.65 58.49 3gql h GLN 680 Cb 1.16 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 3gql h GLN 680 CO 0.10 0.69 -0.45 0.66 0.09 0.00 0.00 178.83 179.92 3gql h SER 681 N 0.21 0.00 1.15 0.06 4.64 -1.89 -0.99 113.55 116.74 3gql h SER 681 Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3gql h SER 681 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3gql h SER 681 CO 0.08 0.45 -0.32 0.44 -0.87 0.00 0.00 176.83 176.61 3gql h ASP 682 N 0.00 0.00 -0.18 4.97 5.19 -0.93 -2.82 116.42 122.64 3gql h ASP 682 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 3gql h ASP 682 Cb 0.96 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.47 3gql h ASP 682 CO 0.06 0.32 -0.09 0.58 -3.12 0.00 0.00 179.24 176.99 3gql h VAL 683 N 0.00 1.31 -0.22 -1.35 2.07 -0.19 -2.02 116.25 115.85 3gql h VAL 683 Ca -0.00 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3gql h VAL 683 Cb 0.98 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 3gql h VAL 683 CO 0.04 0.34 -0.24 -0.25 0.02 0.00 0.00 177.57 177.48 3gql h TRP 684 N 0.07 -0.65 -0.68 1.57 2.91 -1.27 0.34 115.95 118.23 3gql h TRP 684 Ca 0.04 0.04 0.18 0.00 1.13 0.00 0.00 58.89 60.28 3gql h TRP 684 Cb 0.57 0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 3gql h TRP 684 CO 0.06 -0.32 0.48 0.77 -1.03 0.00 0.00 178.44 178.41 3gql h SER 685 N -0.26 0.08 -0.17 2.65 0.02 -1.35 0.52 113.55 115.04 3gql h SER 685 Ca 0.13 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3gql h SER 685 Cb 0.46 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3gql h SER 685 CO -0.37 0.04 -0.29 0.15 -1.14 0.00 0.00 176.83 175.21 3gql h PHE 686 N 0.08 0.76 0.23 3.45 3.57 0.36 -1.11 116.94 124.28 3gql h PHE 686 Ca 0.33 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3gql h PHE 686 Cb 1.19 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3gql h PHE 686 CO -0.00 0.88 -0.35 0.78 -2.23 0.00 0.00 178.31 177.38 3gql h GLY 687 N 1.00 -0.75 1.11 2.40 0.00 0.15 0.76 103.07 107.74 3gql h GLY 687 Ca 0.07 0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.91 3gql h GLY 687 CO 0.06 -0.27 0.36 -2.08 0.00 0.00 0.00 176.54 174.61 3gql h VAL 688 N -0.65 0.86 0.00 4.60 2.07 -1.31 0.33 116.25 122.15 3gql h VAL 688 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3gql h VAL 688 Cb 0.63 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3gql h VAL 688 CO -0.14 0.05 -0.33 0.25 0.02 0.00 0.00 177.57 177.41 3gql h LEU 689 N 0.26 0.00 -0.18 2.57 6.46 0.19 -1.67 115.31 122.94 3gql h LEU 689 Ca 0.24 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 3gql h LEU 689 Cb 0.61 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3gql h LEU 689 CO -0.05 0.33 -0.29 -0.07 -0.62 0.00 0.00 178.44 177.74 3gql h LEU 690 N 0.00 0.57 -0.21 2.25 3.38 0.18 -2.42 115.31 119.08 3gql h LEU 690 Ca -0.00 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.48 3gql h LEU 690 Cb 0.89 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3gql h LEU 690 CO 0.04 0.99 -0.05 -0.25 0.09 0.00 0.00 178.44 179.27 3gql h TRP 691 N 0.17 -0.11 -0.51 1.13 7.01 -0.98 -0.26 115.95 122.40 3gql h TRP 691 Ca 0.01 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.14 3gql h TRP 691 Cb 0.88 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 3gql h TRP 691 CO 0.09 -0.09 0.35 0.93 -2.79 0.00 0.00 178.44 176.93 3gql h GLU 692 N 0.00 0.24 -0.07 2.65 5.08 -1.19 -2.24 114.58 119.05 3gql h GLU 692 Ca 0.10 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 3gql h GLU 692 Cb 0.15 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3gql h GLU 692 CO -0.21 0.16 -0.69 0.82 -1.00 0.00 0.00 179.01 178.09 3gql h ILE 693 N 0.25 1.34 -0.31 3.13 2.04 -0.63 0.16 117.51 123.49 3gql h ILE 693 Ca 0.24 -2.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.02 3gql h ILE 693 Cb 0.61 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 3gql h ILE 693 CO -0.05 0.61 0.11 0.49 0.00 0.00 0.00 178.15 179.31 3gql n PHE 694 N -4.09 1.03 -1.01 1.37 3.72 -0.26 -2.22 117.46 116.01 3gql n PHE 694 Ca -0.09 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 3gql n PHE 694 Cb 0.71 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3gql n PHE 694 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gql n THR 695 N 0.08 0.17 -2.78 4.37 -2.24 -1.09 -4.50 114.28 108.28 3gql n THR 695 Ca 0.17 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3gql n THR 695 Cb 0.79 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3gql n THR 695 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gql n LEU 696 N -0.09 -1.57 0.00 3.22 4.77 -0.94 -3.22 117.00 119.16 3gql n LEU 696 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3gql n LEU 696 Cb 0.50 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 3gql n LEU 696 CO 0.00 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3gql n GLY 697 N -1.04 1.75 3.87 -0.72 0.00 0.54 -2.12 105.19 107.48 3gql n GLY 697 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3gql n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gql s GLY 698 N -2.00 1.75 -0.14 -0.02 0.00 -1.20 -4.86 107.32 100.85 3gql s GLY 698 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 3gql s GLY 698 CO 0.00 -0.38 -0.11 -0.56 0.00 0.00 0.00 173.10 172.06 3gql s SER 699 N -4.72 4.16 0.83 1.64 0.01 -1.26 -4.76 113.70 109.60 3gql s SER 699 Ca 0.74 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 57.55 3gql s SER 699 Cb -0.05 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.54 3gql s SER 699 CO 0.54 0.15 0.58 -0.81 0.41 0.00 0.00 173.24 174.10 3gql n PRO 700 N 3.66 0.05 -4.00 12.44 -0.04 -1.26 -3.44 135.00 142.40 3gql n PRO 700 Ca -0.18 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 3gql n PRO 700 Cb 0.52 -1.93 0.01 0.00 -0.04 0.00 0.00 33.50 32.07 3gql n PRO 700 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gql n TYR 701 N -3.01 -1.50 -1.63 0.54 4.01 -1.26 -4.74 117.16 109.57 3gql n TYR 701 Ca 0.09 0.22 -0.51 0.00 -0.16 0.00 0.00 57.90 57.54 3gql n TYR 701 Cb 0.51 -2.97 -0.06 0.00 -0.31 0.00 0.00 39.34 36.51 3gql n TYR 701 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3gql n PRO 702 N -4.81 1.61 0.00 -0.72 -0.02 -1.22 -1.36 135.00 128.48 3gql n PRO 702 Ca -0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3gql n PRO 702 Cb 0.58 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3gql n PRO 702 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gql n GLY 703 N 4.94 2.73 3.64 -1.23 0.00 -1.26 -4.97 105.19 109.04 3gql n GLY 703 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3gql n GLY 703 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gql s VAL 704 N -0.80 3.07 -0.04 1.61 1.01 -0.46 -4.88 120.40 119.91 3gql s VAL 704 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 3gql s VAL 704 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3gql s VAL 704 CO 0.00 -0.02 1.96 -2.65 0.00 0.00 0.00 175.10 174.38 3gql n PRO 705 N 7.94 2.47 -0.34 2.72 -0.02 -1.26 -4.81 135.00 141.71 3gql n PRO 705 Ca 0.23 0.89 -0.04 0.00 -2.02 0.00 0.00 63.50 62.56 3gql n PRO 705 Cb 0.43 -2.85 -0.01 0.00 -0.02 0.00 0.00 33.50 31.04 3gql n PRO 705 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gql n VAL 706 N 5.55 -0.50 -0.33 -1.45 0.31 -1.26 0.11 118.33 120.75 3gql n VAL 706 Ca 0.22 2.01 0.12 0.00 -0.01 0.00 0.00 64.34 66.68 3gql n VAL 706 Cb 0.36 -2.58 0.33 0.00 -0.91 0.00 0.00 33.84 31.03 3gql n VAL 706 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gql h GLU 707 N 0.00 0.76 0.00 5.55 3.07 -2.02 0.74 114.58 122.68 3gql h GLU 707 Ca 0.23 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 3gql h GLU 707 Cb 0.44 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3gql h GLU 707 CO -0.82 0.50 -0.38 0.93 -1.40 0.00 0.00 179.01 177.85 3gql h GLU 708 N 0.78 0.00 -1.00 2.33 3.07 0.39 -3.20 114.58 116.95 3gql h GLU 708 Ca 0.53 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.50 3gql h GLU 708 Cb 0.79 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.61 3gql h GLU 708 CO -0.30 0.38 0.63 1.25 -1.40 0.00 0.00 179.01 179.57 3gql h LEU 709 N 0.00 0.93 0.00 1.33 5.85 0.78 -2.81 115.31 121.40 3gql h LEU 709 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gql h LEU 709 Cb 0.98 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3gql h LEU 709 CO 0.05 0.50 0.00 0.49 -0.34 0.00 0.00 178.44 179.13 3gql n PHE 710 N -4.62 0.00 0.03 1.25 3.01 -1.21 -1.97 117.46 113.96 3gql n PHE 710 Ca 0.19 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.82 3gql n PHE 710 Cb 0.35 -0.31 0.66 0.00 -0.01 0.00 0.00 39.48 40.17 3gql n PHE 710 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3gql h LYS 711 N 0.00 0.04 0.08 -1.08 6.56 -1.78 -2.68 116.57 117.72 3gql h LYS 711 Ca 0.00 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 3gql h LYS 711 Cb 0.00 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.60 3gql h LYS 711 CO 0.00 0.03 -0.38 1.25 -2.06 0.00 0.00 179.45 178.29 3gql h LEU 712 N 0.05 -1.11 -1.71 2.94 6.46 -1.12 -0.39 115.31 120.43 3gql h LEU 712 Ca 0.21 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.07 3gql h LEU 712 Cb 0.79 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 3gql h LEU 712 CO -0.01 -0.45 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.13 3gql h LEU 713 N -0.58 0.00 -0.42 2.25 3.38 -1.08 -2.08 115.31 116.79 3gql h LEU 713 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3gql h LEU 713 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gql h LEU 713 CO -0.25 0.17 -0.62 0.11 0.09 0.00 0.00 178.44 177.94 3gql h LYS 714 N 0.00 0.59 0.00 1.13 1.57 -1.28 -2.61 116.57 115.96 3gql h LYS 714 Ca -0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3gql h LYS 714 Cb 0.43 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gql h LYS 714 CO 0.02 1.03 0.00 -0.85 -0.57 0.00 0.00 179.45 179.08 3gql n GLU 715 N -3.93 0.15 0.00 3.15 0.00 -0.23 -4.85 120.64 114.92 3gql n GLU 715 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.51 3gql n GLU 715 Cb 0.65 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.30 3gql n GLU 715 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gql n GLY 716 N -0.04 0.81 3.80 -1.84 0.00 -0.98 -5.08 105.19 101.84 3gql n GLY 716 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3gql n GLY 716 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gql s HIS 717 N -2.00 3.05 0.13 1.61 3.76 -1.02 -5.01 115.29 115.81 3gql s HIS 717 Ca 0.00 1.59 -0.01 0.00 -0.15 0.00 0.00 55.06 56.49 3gql s HIS 717 Cb 0.00 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 3gql s HIS 717 CO 0.00 -0.76 0.05 1.03 -0.85 0.00 0.00 174.74 174.21 3gql s ARG 718 N -3.12 0.92 0.75 1.40 1.81 -1.26 -4.45 118.95 115.00 3gql s ARG 718 Ca 0.66 -1.44 -0.12 0.00 -1.72 0.00 0.00 55.73 53.11 3gql s ARG 718 Cb -0.17 0.23 0.05 0.00 -0.45 0.00 0.00 34.95 34.61 3gql s ARG 718 CO 0.20 -0.25 1.11 -1.64 -0.68 0.00 0.00 175.30 174.05 3gql s MET 719 N -4.04 2.27 0.39 3.54 -1.94 -1.26 -5.01 119.30 113.25 3gql s MET 719 Ca 0.24 1.32 -0.15 0.00 -1.71 0.00 0.00 55.69 55.39 3gql s MET 719 Cb 0.07 -1.89 -0.09 0.00 2.01 0.00 0.00 34.83 34.94 3gql s MET 719 CO 0.01 -1.65 0.82 -0.51 -0.01 0.00 0.00 175.02 173.68 3gql s ASP 720 N -2.96 6.73 0.12 3.03 1.01 -1.26 -4.98 116.67 118.36 3gql s ASP 720 Ca 0.65 1.36 -0.35 0.00 0.71 0.00 0.00 52.55 54.91 3gql s ASP 720 Cb -0.20 -2.41 -0.16 0.00 1.01 0.00 0.00 42.92 41.16 3gql s ASP 720 CO 0.51 -0.33 1.34 1.17 0.21 0.00 0.00 175.17 178.07 3gql n LYS 721 N -0.79 1.31 -1.75 8.23 4.81 -1.26 -4.89 118.16 123.82 3gql n LYS 721 Ca 0.04 0.47 -0.35 0.00 -0.87 0.00 0.00 58.31 57.60 3gql n LYS 721 Cb 0.54 -2.10 0.06 0.00 0.02 0.00 0.00 35.03 33.55 3gql n LYS 721 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3gql s PRO 722 N 0.33 2.60 0.05 1.64 0.02 -1.26 -4.87 135.00 133.51 3gql s PRO 722 Ca 0.81 1.81 -0.36 0.00 0.02 0.00 0.00 61.00 63.29 3gql s PRO 722 Cb -0.89 -1.88 -0.15 0.00 0.02 0.00 0.00 34.50 31.60 3gql s PRO 722 CO 0.47 -1.50 1.56 0.45 -0.33 0.00 0.00 177.00 177.65 3gql n SER 723 N -2.10 2.54 0.00 2.53 2.88 -1.26 -1.66 113.62 116.55 3gql n SER 723 Ca 0.14 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3gql n SER 723 Cb 0.50 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3gql n SER 723 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3gql n ASN 724 N 3.78 0.00 -4.59 -3.46 5.03 -1.26 -4.95 115.26 109.81 3gql n ASN 724 Ca 0.19 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.20 3gql n ASN 724 Cb 0.24 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.55 3gql n ASN 724 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gql s THR 726 N -0.96 1.97 0.16 0.00 -4.23 -1.26 -4.87 115.64 106.44 3gql s THR 726 Ca 0.60 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 3gql s THR 726 Cb -0.71 -2.42 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 3gql s THR 726 CO 0.59 0.00 1.41 -0.55 -0.54 0.00 0.00 174.62 175.53 3gql h ASN 727 N -2.11 0.62 0.46 3.99 -1.07 -1.99 -2.80 115.58 112.68 3gql h ASN 727 Ca -0.56 -0.40 -0.02 0.00 0.07 0.00 0.00 56.30 55.39 3gql h ASN 727 Cb 1.33 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 3gql h ASN 727 CO 0.55 1.15 -0.22 -0.08 0.07 0.00 0.00 177.43 178.90 3gql h GLU 728 N 0.36 -0.60 0.00 4.14 4.81 -2.00 -2.00 114.58 119.31 3gql h GLU 728 Ca -0.03 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gql h GLU 728 Cb 1.31 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3gql h GLU 728 CO 0.13 -0.30 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.03 3gql h LEU 729 N -0.85 0.00 -0.45 1.64 3.38 -1.95 -0.53 115.31 116.55 3gql h LEU 729 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3gql h LEU 729 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3gql h LEU 729 CO 0.10 0.01 -0.76 0.22 0.09 0.00 0.00 178.44 178.10 3gql h TYR 730 N 0.00 0.20 -0.41 1.13 3.20 -1.34 -2.04 116.97 117.71 3gql h TYR 730 Ca -0.00 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 3gql h TYR 730 Cb 0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3gql h TYR 730 CO 0.00 0.85 -0.25 0.52 -1.64 0.00 0.00 178.16 177.64 3gql h MET 731 N 0.09 0.89 -0.02 1.82 2.86 -0.36 -2.08 114.93 118.12 3gql h MET 731 Ca -0.02 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 3gql h MET 731 Cb 1.34 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 3gql h MET 731 CO 0.11 1.06 -0.16 1.98 1.06 0.00 0.00 176.91 180.97 3gql h MET 732 N 0.71 -0.24 0.00 1.72 1.85 -1.14 0.32 114.93 118.16 3gql h MET 732 Ca 0.09 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 3gql h MET 732 Cb 0.82 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.90 3gql h MET 732 CO 0.07 -0.16 0.00 0.00 -0.40 0.00 0.00 176.91 176.42 3gql h MET 733 N -0.25 0.00 0.07 0.39 -0.00 -1.25 -2.00 114.93 111.89 3gql h MET 733 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.51 3gql h MET 733 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.91 3gql h MET 733 CO -0.17 0.00 -1.13 0.00 -0.00 0.00 0.00 176.91 175.61 3gql h ARG 734 N 0.00 0.16 -0.19 -0.10 2.47 -0.48 -2.70 114.38 113.54 3gql h ARG 734 Ca 0.00 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 3gql h ARG 734 Cb 0.35 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3gql h ARG 734 CO 0.00 1.12 -0.01 -0.44 0.56 0.00 0.00 179.97 181.20 3gql h ASP 735 N 0.04 0.34 -0.93 7.04 3.32 -0.31 -2.62 116.42 123.30 3gql h ASP 735 Ca -0.08 -0.33 0.14 0.00 0.02 0.00 0.00 57.03 56.79 3gql h ASP 735 Cb 1.88 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 41.25 3gql h ASP 735 CO 0.17 0.58 0.54 0.00 -1.72 0.00 0.00 179.24 178.81 3gql n TRP 737 N -4.75 1.23 -2.34 0.00 8.01 -0.99 -3.96 117.44 114.64 3gql n TRP 737 Ca 0.19 -1.60 -0.40 0.00 -1.31 0.00 0.00 57.50 54.37 3gql n TRP 737 Cb 0.42 -0.78 -0.03 0.00 -2.01 0.00 0.00 31.31 28.90 3gql n TRP 737 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3gql s HIS 738 N -1.42 3.38 0.13 -5.99 2.46 -0.36 -4.92 115.29 108.57 3gql s HIS 738 Ca 0.24 1.59 -0.27 0.00 0.47 0.00 0.00 55.06 57.10 3gql s HIS 738 Cb 0.19 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.18 3gql s HIS 738 CO 0.01 -1.04 1.61 0.00 -2.47 0.00 0.00 174.74 172.84 3gql h ALA 739 N 3.69 -0.44 -1.93 1.58 0.00 -1.91 -3.38 119.26 116.87 3gql h ALA 739 Ca -0.47 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 3gql h ALA 739 Cb 1.22 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 3gql h ALA 739 CO 0.66 -0.83 0.81 0.08 0.00 0.00 0.00 179.25 179.97 3gql s VAL 740 N -5.98 4.47 0.54 0.00 1.01 -1.26 -4.94 120.40 114.24 3gql s VAL 740 Ca -0.15 1.53 0.21 0.00 0.00 0.00 0.00 61.98 63.56 3gql s VAL 740 Cb 0.10 -4.43 0.32 0.00 0.00 0.00 0.00 36.38 32.37 3gql s VAL 740 CO 0.65 -0.59 2.11 1.55 0.00 0.00 0.00 175.10 178.83 3gql h PRO 741 N 8.38 0.00 0.00 2.72 0.13 -1.98 -1.17 132.00 140.08 3gql h PRO 741 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 3gql h PRO 741 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3gql h PRO 741 CO 1.04 0.00 -0.20 0.66 -0.23 0.00 0.00 178.00 179.26 3gql h SER 742 N 0.00 0.00 -0.06 1.44 4.64 -1.94 -2.83 113.55 114.80 3gql h SER 742 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gql h SER 742 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3gql h SER 742 CO -0.00 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 3gql n GLN 743 N -3.49 1.46 -2.22 4.77 1.13 -0.44 -4.89 117.38 113.70 3gql n GLN 743 Ca -0.01 -0.69 -0.29 0.00 -1.94 0.00 0.00 57.00 54.07 3gql n GLN 743 Cb 0.37 -1.42 0.01 0.00 0.11 0.00 0.00 30.24 29.31 3gql n GLN 743 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3gql s ARG 744 N -1.92 3.57 0.68 -1.09 0.52 -1.07 -4.95 118.95 114.68 3gql s ARG 744 Ca 0.36 0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.95 3gql s ARG 744 Cb 0.18 -2.21 0.17 0.00 0.52 0.00 0.00 34.95 33.61 3gql s ARG 744 CO 0.29 -0.41 0.60 -0.35 0.02 0.00 0.00 175.30 175.45 3gql n PRO 745 N -2.53 -2.20 -4.43 3.54 -0.04 -1.26 -5.05 135.00 123.04 3gql n PRO 745 Ca 0.04 -0.96 -0.21 0.00 -0.04 0.00 0.00 63.50 62.33 3gql n PRO 745 Cb 0.55 -0.90 -0.10 0.00 -0.04 0.00 0.00 33.50 33.00 3gql n PRO 745 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3gql s THR 746 N -2.08 1.66 0.46 0.52 -4.23 -1.26 -4.93 115.64 105.78 3gql s THR 746 Ca 0.39 -2.13 0.27 0.00 -1.18 0.00 0.00 61.69 59.04 3gql s THR 746 Cb -0.04 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.66 3gql s THR 746 CO 0.30 -0.31 2.11 -0.26 -0.54 0.00 0.00 174.62 175.92 3gql h PHE 747 N 2.28 0.00 0.02 3.99 0.04 -1.93 -0.85 116.94 120.50 3gql h PHE 747 Ca -0.40 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 3gql h PHE 747 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3gql h PHE 747 CO 0.68 0.09 -0.01 -0.22 -0.60 0.00 0.00 178.31 178.25 3gql h LYS 748 N 0.00 -0.03 0.96 1.51 3.64 -1.95 0.11 116.57 120.82 3gql h LYS 748 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3gql h LYS 748 Cb 0.24 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3gql h LYS 748 CO 0.01 0.18 -0.48 1.96 -2.27 0.00 0.00 179.45 178.85 3gql h GLN 749 N -0.23 -1.26 -0.85 1.90 4.20 -1.83 -1.96 115.11 115.07 3gql h GLN 749 Ca -0.00 0.09 0.22 0.00 0.06 0.00 0.00 58.65 59.01 3gql h GLN 749 Cb 0.22 0.29 -0.14 0.00 0.30 0.00 0.00 27.48 28.15 3gql h GLN 749 CO 0.00 -0.84 0.15 -0.07 -0.67 0.00 0.00 178.83 177.41 3gql h LEU 750 N -1.31 -0.13 -1.41 1.46 3.38 -1.18 0.80 115.31 116.92 3gql h LEU 750 Ca -0.13 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gql h LEU 750 Cb 1.01 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3gql h LEU 750 CO 0.20 -0.18 0.13 0.58 0.09 0.00 0.00 178.44 179.26 3gql h VAL 751 N 0.16 1.15 0.10 1.22 2.07 -0.79 0.68 116.25 120.85 3gql h VAL 751 Ca 0.52 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3gql h VAL 751 Cb 1.01 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3gql h VAL 751 CO -0.68 0.19 -0.05 -0.33 0.02 0.00 0.00 177.57 176.72 3gql h GLU 752 N 0.52 -0.13 -0.86 1.57 5.08 0.13 -1.89 114.58 119.00 3gql h GLU 752 Ca 0.13 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.70 3gql h GLU 752 Cb 0.14 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.27 3gql h GLU 752 CO -0.01 -0.09 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.43 3gql h ASP 753 N -0.21 -0.49 0.29 1.42 3.32 -0.74 0.52 116.42 120.52 3gql h ASP 753 Ca -0.01 0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3gql h ASP 753 Cb 0.11 0.43 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3gql h ASP 753 CO 0.02 -0.26 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.00 3gql h LEU 754 N 0.05 0.00 -0.54 1.55 3.38 -0.92 0.20 115.31 119.03 3gql h LEU 754 Ca 0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 3gql h LEU 754 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3gql h LEU 754 CO -0.80 0.22 -0.06 -0.78 0.09 0.00 0.00 178.44 177.12 3gql h ASP 755 N 0.00 0.99 0.37 -0.43 -0.00 0.88 -1.03 116.42 117.20 3gql h ASP 755 Ca -0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 57.03 56.68 3gql h ASP 755 Cb 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 3gql h ASP 755 CO 0.03 1.08 -0.18 -0.09 -0.00 0.00 0.00 179.24 180.08 3gql h ARG 756 N 0.87 -0.48 -0.95 0.28 2.43 -0.43 -3.07 114.38 113.02 3gql h ARG 756 Ca 0.15 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.51 3gql h ARG 756 Cb 0.61 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 3gql h ARG 756 CO 0.04 -0.17 0.60 0.82 -1.51 0.00 0.00 179.97 179.75 3gql h ILE 757 N -0.93 0.80 -0.70 1.20 2.04 -0.61 -0.54 117.51 118.77 3gql h ILE 757 Ca -0.05 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3gql h ILE 757 Cb 0.54 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3gql h ILE 757 CO 0.08 0.14 0.21 0.58 0.00 0.00 0.00 178.15 179.16 3gql h VAL 758 N 0.74 1.25 0.00 1.67 2.07 -1.20 -2.21 116.25 118.58 3gql h VAL 758 Ca 0.50 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3gql h VAL 758 Cb 0.78 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3gql h VAL 758 CO -0.26 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.68 3gql n ALA 759 N -2.45 1.52 -0.58 1.67 0.00 -0.23 -2.17 120.51 118.27 3gql n ALA 759 Ca 0.06 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3gql n ALA 759 Cb 0.23 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.50 3gql n ALA 759 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gql n LEU 760 N -2.22 3.26 -4.57 0.00 4.77 -0.86 -5.00 117.00 112.38 3gql n LEU 760 Ca 0.01 -2.52 -0.34 0.00 -0.03 0.00 0.00 56.01 53.13 3gql n LEU 760 Cb 0.18 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 3gql n LEU 760 CO 0.17 0.69 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.66 3gql s THR 761 N -1.93 3.76 0.30 -5.08 2.01 -0.92 -5.06 115.64 108.72 3gql s THR 761 Ca 0.31 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 3gql s THR 761 Cb 0.22 -2.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 3gql s THR 761 CO 0.11 0.58 1.15 -0.44 -0.69 0.00 0.00 174.62 175.33 3gql s SER 762 N -0.60 7.09 0.00 3.53 0.01 -1.26 -4.74 113.70 117.73 3gql s SER 762 Ca 0.09 2.36 0.15 0.00 1.31 0.00 0.00 55.95 59.86 3gql s SER 762 Cb -0.12 -2.63 0.46 0.00 0.21 0.00 0.00 66.02 63.94 3gql s SER 762 CO 0.02 -0.28 1.36 0.59 0.41 0.00 0.00 173.24 175.34 3gql n ASN 763 N 0.98 2.02 0.00 2.44 5.03 -1.26 -2.98 115.26 121.48 3gql n ASN 763 Ca -0.00 -1.92 0.00 0.00 0.87 0.00 0.00 54.58 53.53 3gql n ASN 763 Cb 0.44 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3gql n ASN 763 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gql n GLN 764 N 0.58 2.01 -3.18 3.52 6.02 -1.26 -4.79 117.38 120.28 3gql n GLN 764 Ca 0.14 -1.19 -0.45 0.00 -0.01 0.00 0.00 57.00 55.49 3gql n GLN 764 Cb 0.34 -0.89 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 3gql n GLN 764 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gql s GLU 765 N -0.70 3.77 -0.01 -1.09 0.41 -1.24 -4.97 118.70 114.87 3gql s GLU 765 Ca 0.00 -2.43 -0.30 0.00 -0.41 0.00 0.00 54.97 51.83 3gql s GLU 765 Cb 0.00 -4.65 -0.03 0.00 -1.78 0.00 0.00 34.13 27.67 3gql s GLU 765 CO 0.00 -1.46 1.01 0.71 -0.49 0.00 0.00 175.26 175.03 3gql s TYR 766 N 0.71 3.61 0.76 1.61 1.51 -1.26 0.02 117.35 124.31 3gql s TYR 766 Ca 0.27 1.64 -0.11 0.00 -1.01 0.00 0.00 57.07 57.86 3gql s TYR 766 Cb -0.08 -3.16 0.05 0.00 -0.11 0.00 0.00 41.96 38.66 3gql s TYR 766 CO -0.08 -0.18 1.09 -1.17 -1.11 0.00 0.00 175.55 174.11 3gql s LEU 767 N 1.15 2.75 -0.07 -1.29 0.20 -1.26 -4.95 118.68 115.20 3gql s LEU 767 Ca 0.52 1.30 0.04 0.00 0.69 0.00 0.00 54.13 56.68 3gql s LEU 767 Cb -0.22 -4.00 -0.02 0.00 -0.43 0.00 0.00 46.19 41.53 3gql s LEU 767 CO 0.27 -1.72 -0.18 -1.81 -0.29 0.00 0.00 176.35 172.62 3gql s ASP 768 N -4.02 3.63 -0.58 3.68 1.01 -1.26 -4.86 116.67 114.27 3gql s ASP 768 Ca 0.60 -0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.54 3gql s ASP 768 Cb -0.13 -1.06 0.18 0.00 1.01 0.00 0.00 42.92 42.92 3gql s ASP 768 CO 0.54 0.26 0.46 0.18 0.21 0.00 0.00 175.17 176.81 3gql n LEU 769 N 2.90 1.69 -0.05 1.23 4.77 -1.26 -4.91 117.00 121.36 3gql n LEU 769 Ca -0.18 -4.90 -0.14 0.00 -0.03 0.00 0.00 56.01 50.76 3gql n LEU 769 Cb 0.52 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3gql n LEU 769 CO 0.27 1.83 0.40 0.28 -1.33 0.00 0.00 177.39 178.84 3gql h SER 770 N 5.33 0.91 -2.99 -1.43 0.02 -1.98 -3.35 113.55 110.06 3gql h SER 770 Ca 0.19 -0.51 -0.67 0.00 -0.84 0.00 0.00 61.79 59.95 3gql h SER 770 Cb 0.81 -0.26 -0.37 0.00 0.14 0.00 0.00 62.40 62.71 3gql h SER 770 CO 0.59 1.30 -0.21 0.80 -1.14 0.00 0.00 176.83 178.17 3gql n MET 771 N -3.98 2.63 -2.18 3.45 0.00 -1.26 -5.04 117.12 110.74 3gql n MET 771 Ca -0.05 -4.53 -0.40 0.00 -0.00 0.00 0.00 57.70 52.72 3gql n MET 771 Cb 0.65 -2.36 -0.03 0.00 0.00 0.00 0.00 33.22 31.48 3gql n MET 771 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gql s PRO 772 N -1.78 2.95 0.03 2.12 0.04 -1.26 -4.97 135.00 132.14 3gql s PRO 772 Ca 0.30 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 3gql s PRO 772 Cb -0.01 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 3gql s PRO 772 CO -0.09 -2.35 1.17 -0.51 0.04 0.00 0.00 177.00 175.26 3gql s LEU 773 N 7.66 4.35 0.00 -3.56 1.43 -1.26 -5.14 118.68 122.17 3gql s LEU 773 Ca 0.62 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 3gql s LEU 773 Cb -0.13 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3gql s LEU 773 CO 0.23 -0.46 0.00 -0.67 0.23 0.00 0.00 176.35 175.68