#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqi s LEU 465 N 0.00 2.75 -0.45 4.31 2.01 -1.26 -5.01 118.68 121.03 3gqi s LEU 465 Ca 0.00 -1.25 -0.23 0.00 0.01 0.00 0.00 54.13 52.66 3gqi s LEU 465 Cb 0.00 -0.94 -0.12 0.00 0.01 0.00 0.00 46.19 45.13 3gqi s LEU 465 CO 0.00 -0.28 1.47 -0.81 1.01 0.00 0.00 176.35 177.74 3gqi n PRO 466 N -0.83 0.00 -1.40 1.29 -0.04 -1.26 -4.75 135.00 128.02 3gqi n PRO 466 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 3gqi n PRO 466 Cb 0.64 -0.92 0.09 0.00 -0.04 0.00 0.00 33.50 33.28 3gqi n PRO 466 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3gqi s GLU 467 N 4.53 2.10 -0.29 0.54 2.12 -1.26 -5.03 118.70 121.40 3gqi s GLU 467 Ca 0.78 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.97 3gqi s GLU 467 Cb -0.85 -1.90 0.10 0.00 0.26 0.00 0.00 34.13 31.73 3gqi s GLU 467 CO 0.36 -1.67 0.11 0.34 -0.54 0.00 0.00 175.26 173.85 3gqi s ASP 468 N -3.64 3.72 0.53 -1.70 -1.08 -1.26 -4.99 116.67 108.26 3gqi s ASP 468 Ca 0.61 -1.42 0.25 0.00 -0.52 0.00 0.00 52.55 51.47 3gqi s ASP 468 Cb -0.16 -0.63 1.37 0.00 -1.46 0.00 0.00 42.92 42.04 3gqi s ASP 468 CO 0.55 -0.42 1.74 1.55 0.52 0.00 0.00 175.17 179.12 3gqi h PRO 469 N 8.23 0.00 0.00 4.34 0.13 -1.96 0.63 132.00 143.37 3gqi h PRO 469 Ca -0.16 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.75 3gqi h PRO 469 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3gqi h PRO 469 CO 0.45 0.00 -0.92 0.00 -0.23 0.00 0.00 178.00 177.29 3gqi h ARG 470 N 0.00 0.33 0.00 0.86 3.08 -2.02 -3.40 114.38 113.23 3gqi h ARG 470 Ca 0.00 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3gqi h ARG 470 Cb 0.52 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3gqi h ARG 470 CO 0.00 1.05 -1.09 0.91 -1.07 0.00 0.00 179.97 179.77 3gqi n TRP 471 N -3.71 0.00 -1.56 3.04 7.02 -0.18 -5.02 117.44 117.03 3gqi n TRP 471 Ca -0.06 0.00 -0.53 0.00 -1.02 0.00 0.00 57.50 55.89 3gqi n TRP 471 Cb 0.83 -0.06 -0.06 0.00 -2.42 0.00 0.00 31.31 29.59 3gqi n TRP 471 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3gqi n GLU 472 N -2.22 0.81 -4.60 -0.99 4.07 0.20 -2.10 120.64 115.82 3gqi n GLU 472 Ca -0.02 0.29 -0.23 0.00 -0.06 0.00 0.00 57.16 57.14 3gqi n GLU 472 Cb 0.54 -1.86 -0.16 0.00 -0.06 0.00 0.00 31.44 29.90 3gqi n GLU 472 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3gqi s LEU 473 N 0.44 1.88 -0.26 4.31 2.96 0.74 -4.83 118.68 123.92 3gqi s LEU 473 Ca 0.84 -0.26 -0.39 0.00 -0.22 0.00 0.00 54.13 54.11 3gqi s LEU 473 Cb -1.02 -0.73 -0.15 0.00 0.50 0.00 0.00 46.19 44.79 3gqi s LEU 473 CO 0.50 0.12 1.82 -2.65 -1.32 0.00 0.00 176.35 174.82 3gqi n PRO 474 N 3.12 1.30 0.23 0.98 -0.02 -1.26 -4.57 135.00 134.78 3gqi n PRO 474 Ca -0.17 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3gqi n PRO 474 Cb 0.54 -2.22 0.61 0.00 -0.02 0.00 0.00 33.50 32.41 3gqi n PRO 474 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gqi h ARG 475 N 8.04 0.00 -0.01 -0.52 2.43 -1.95 0.77 114.38 123.15 3gqi h ARG 475 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3gqi h ARG 475 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3gqi h ARG 475 CO 0.97 0.00 -0.35 -0.40 -1.51 0.00 0.00 179.97 178.68 3gqi n ASP 476 N -3.03 0.87 -2.29 -3.80 5.75 -1.26 -3.93 116.55 108.86 3gqi n ASP 476 Ca 0.03 -0.70 -0.31 0.00 -0.01 0.00 0.00 54.79 53.80 3gqi n ASP 476 Cb 0.66 0.19 0.06 0.00 -1.03 0.00 0.00 41.12 41.00 3gqi n ASP 476 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gqi n ARG 477 N -0.92 2.47 -3.57 0.11 1.74 0.26 -4.82 116.66 111.94 3gqi n ARG 477 Ca 0.10 -2.86 -0.10 0.00 -0.77 0.00 0.00 57.85 54.22 3gqi n ARG 477 Cb 0.35 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.46 29.57 3gqi n ARG 477 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gqi s LEU 478 N -3.30 -0.57 -0.39 0.55 2.96 -1.25 -2.48 118.68 114.19 3gqi s LEU 478 Ca 0.55 0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 55.10 3gqi s LEU 478 Cb 0.43 1.15 0.09 0.00 0.50 0.00 0.00 46.19 48.36 3gqi s LEU 478 CO -0.06 -0.25 0.19 -0.69 -1.32 0.00 0.00 176.35 174.22 3gqi s VAL 479 N 2.55 3.59 0.62 1.68 1.01 0.33 -4.91 120.40 125.26 3gqi s VAL 479 Ca 0.03 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.14 3gqi s VAL 479 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3gqi s VAL 479 CO -0.13 -0.51 1.29 -0.76 0.00 0.00 0.00 175.10 174.99 3gqi s LEU 480 N 1.27 3.65 0.00 3.92 1.43 -1.26 -0.93 118.68 126.76 3gqi s LEU 480 Ca 0.04 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3gqi s LEU 480 Cb -0.22 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.46 3gqi s LEU 480 CO -0.01 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.33 3gqi n GLY 481 N 0.80 5.33 3.81 -3.19 0.00 0.86 -4.89 105.19 107.91 3gqi n GLY 481 Ca 0.14 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3gqi n GLY 481 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqi s LYS 482 N 2.83 3.13 0.82 1.61 -2.85 -1.26 -4.61 119.74 119.41 3gqi s LYS 482 Ca 0.00 1.05 -0.11 0.00 -1.00 0.00 0.00 55.97 55.91 3gqi s LYS 482 Cb 0.00 -2.01 0.09 0.00 -2.06 0.00 0.00 37.83 33.85 3gqi s LYS 482 CO 0.00 -0.95 1.13 -2.14 0.10 0.00 0.00 175.35 173.49 3gqi s PRO 483 N -4.64 1.70 0.00 1.78 0.02 -1.26 -1.87 135.00 130.74 3gqi s PRO 483 Ca 0.60 1.44 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3gqi s PRO 483 Cb -0.15 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3gqi s PRO 483 CO 0.47 -2.10 0.00 1.28 -0.33 0.00 0.00 177.00 176.32 3gqi n LEU 484 N -3.68 0.00 0.00 -5.54 4.77 -0.28 -4.77 117.00 107.51 3gqi n LEU 484 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3gqi n LEU 484 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3gqi n LEU 484 CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3gqi n GLY 485 N 1.40 1.81 0.19 -0.72 0.00 -1.22 -5.02 105.19 101.63 3gqi n GLY 485 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 3gqi n GLY 485 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqi n GLU 486 N -0.32 0.52 -0.51 1.61 1.02 -1.26 -2.29 120.64 119.40 3gqi n GLU 486 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3gqi n GLU 486 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 3gqi n GLU 486 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqi n GLY 487 N 1.18 1.97 0.49 0.62 0.00 -1.13 -5.00 105.19 103.33 3gqi n GLY 487 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 3gqi n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqi h ALA 488 N 2.00 -1.15 -2.35 4.61 0.00 -2.05 -3.38 119.26 116.93 3gqi h ALA 488 Ca 0.00 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 3gqi h ALA 488 Cb 0.00 0.72 -0.38 0.00 0.00 0.00 0.00 17.79 18.13 3gqi h ALA 488 CO 0.00 -1.18 -0.97 1.19 0.00 0.00 0.00 179.25 178.29 3gqi n PHE 489 N -5.46 -0.67 0.00 0.00 3.01 -1.26 -5.04 117.46 108.05 3gqi n PHE 489 Ca -0.12 -3.38 0.00 0.00 1.01 0.00 0.00 57.45 54.96 3gqi n PHE 489 Cb 0.45 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 3gqi n PHE 489 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqi n GLY 490 N 2.63 2.49 3.29 1.37 0.00 -1.26 -4.61 105.19 109.11 3gqi n GLY 490 Ca 0.29 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3gqi n GLY 490 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gqi s GLN 491 N -1.80 0.70 -0.12 1.61 -2.07 -0.10 -2.81 119.66 115.06 3gqi s GLN 491 Ca 0.00 0.02 0.02 0.00 -1.82 0.00 0.00 55.36 53.57 3gqi s GLN 491 Cb 0.00 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 3gqi s GLN 491 CO 0.00 -0.18 -0.18 0.08 -1.32 0.00 0.00 175.29 173.68 3gqi s VAL 492 N -1.03 2.54 0.00 3.63 1.01 -0.97 -1.01 120.40 124.58 3gqi s VAL 492 Ca -0.11 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3gqi s VAL 492 Cb -0.04 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3gqi s VAL 492 CO 0.04 0.54 -0.13 0.68 0.00 0.00 0.00 175.10 176.23 3gqi s VAL 493 N 0.47 1.04 0.74 2.92 -7.23 -0.51 -1.12 120.40 116.70 3gqi s VAL 493 Ca -0.13 -0.66 -0.14 0.00 -1.81 0.00 0.00 61.98 59.25 3gqi s VAL 493 Cb -0.17 -0.89 0.04 0.00 0.56 0.00 0.00 36.38 35.93 3gqi s VAL 493 CO 0.05 0.22 1.15 -0.22 -0.31 0.00 0.00 175.10 176.00 3gqi s LEU 494 N -0.50 3.24 0.16 1.32 2.96 -0.78 -1.23 118.68 123.85 3gqi s LEU 494 Ca 0.04 2.15 -0.25 0.00 -0.22 0.00 0.00 54.13 55.86 3gqi s LEU 494 Cb -0.06 -4.57 0.06 0.00 0.50 0.00 0.00 46.19 42.13 3gqi s LEU 494 CO -0.00 -2.14 0.95 0.00 -1.32 0.00 0.00 176.35 173.83 3gqi s ALA 495 N -2.31 -1.62 -0.14 5.97 0.00 -0.45 -0.10 121.76 123.12 3gqi s ALA 495 Ca 0.69 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3gqi s ALA 495 Cb -0.24 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3gqi s ALA 495 CO 0.47 -1.05 -0.14 -1.21 0.00 0.00 0.00 175.76 173.83 3gqi s GLU 496 N -3.30 3.32 -0.24 0.00 0.41 -0.11 -1.31 118.70 117.48 3gqi s GLU 496 Ca 0.12 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 53.93 3gqi s GLU 496 Cb -0.02 -2.61 -0.00 0.00 -1.78 0.00 0.00 34.13 29.72 3gqi s GLU 496 CO 0.03 0.16 -0.01 0.00 -0.49 0.00 0.00 175.26 174.95 3gqi s ALA 497 N 0.48 2.89 -0.07 5.21 0.00 -0.50 -0.52 121.76 129.26 3gqi s ALA 497 Ca -0.10 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.39 3gqi s ALA 497 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3gqi s ALA 497 CO 0.05 -0.59 0.62 0.42 0.00 0.00 0.00 175.76 176.26 3gqi s ILE 498 N 1.48 5.06 -1.31 0.00 1.09 -1.04 -1.17 121.20 125.32 3gqi s ILE 498 Ca 0.04 1.28 -0.01 0.00 -1.10 0.00 0.00 60.65 60.87 3gqi s ILE 498 Cb -0.15 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.29 3gqi s ILE 498 CO -0.01 0.30 0.74 0.61 -0.10 0.00 0.00 174.94 176.48 3gqi n GLY 499 N 3.04 -0.31 0.15 6.18 0.00 -0.88 -4.90 105.19 108.48 3gqi n GLY 499 Ca -0.04 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3gqi n GLY 499 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gqi h LEU 500 N -1.89 0.34 -9.41 0.99 3.38 -1.75 -3.39 115.31 103.58 3gqi h LEU 500 Ca -0.61 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.80 3gqi h LEU 500 Cb 1.36 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 3gqi h LEU 500 CO 0.56 0.25 0.06 -0.62 0.09 0.00 0.00 178.44 178.78 3gqi s ASP 501 N -5.47 6.99 0.60 -0.43 2.15 -1.26 -4.95 116.67 114.30 3gqi s ASP 501 Ca -0.13 1.19 0.33 0.00 0.43 0.00 0.00 52.55 54.37 3gqi s ASP 501 Cb 0.10 -2.40 1.89 0.00 -0.30 0.00 0.00 42.92 42.22 3gqi s ASP 501 CO 0.71 -0.05 2.24 0.11 -0.17 0.00 0.00 175.17 178.01 3gqi h LYS 502 N 6.43 0.00 -0.01 4.34 1.79 -2.01 -0.85 116.57 126.27 3gqi h LYS 502 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3gqi h LYS 502 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3gqi h LYS 502 CO 0.74 0.02 -0.15 -0.25 -1.08 0.00 0.00 179.45 178.74 3gqi n ASP 503 N -3.58 0.68 -3.23 0.86 9.92 -1.26 -4.15 116.55 115.78 3gqi n ASP 503 Ca -0.03 -0.72 -0.24 0.00 -0.53 0.00 0.00 54.79 53.27 3gqi n ASP 503 Cb 0.12 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 3gqi n ASP 503 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3gqi n LYS 504 N -0.81 0.93 0.32 -1.24 4.76 -0.33 -4.97 118.16 116.82 3gqi n LYS 504 Ca 0.14 -3.41 0.20 0.00 -2.87 0.00 0.00 58.31 52.37 3gqi n LYS 504 Cb 0.30 -1.36 1.06 0.00 -1.84 0.00 0.00 35.03 33.19 3gqi n LYS 504 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3gqi h PRO 505 N 4.08 0.00 -0.04 1.97 0.11 -1.72 -3.02 132.00 133.38 3gqi h PRO 505 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3gqi h PRO 505 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3gqi h PRO 505 CO 0.51 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.40 3gqi n ASN 506 N -3.22 1.86 -4.66 -2.05 3.02 -1.26 -2.91 115.26 106.03 3gqi n ASN 506 Ca -0.02 -1.44 -0.42 0.00 -0.03 0.00 0.00 54.58 52.66 3gqi n ASN 506 Cb 0.12 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3gqi n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gqi s ARG 507 N -0.77 4.28 -0.09 3.52 1.81 -1.14 -4.73 118.95 121.82 3gqi s ARG 507 Ca 0.11 1.17 -0.25 0.00 -1.72 0.00 0.00 55.73 55.04 3gqi s ARG 507 Cb 0.08 -3.61 -0.03 0.00 -0.45 0.00 0.00 34.95 30.94 3gqi s ARG 507 CO 0.11 -0.47 0.79 0.08 -0.68 0.00 0.00 175.30 175.13 3gqi s VAL 508 N 2.62 4.96 -0.15 3.52 1.01 -1.26 -2.08 120.40 129.02 3gqi s VAL 508 Ca 0.41 1.60 0.01 0.00 0.00 0.00 0.00 61.98 64.00 3gqi s VAL 508 Cb -0.16 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 3gqi s VAL 508 CO 0.10 0.16 -0.16 -0.89 0.00 0.00 0.00 175.10 174.30 3gqi s THR 509 N 1.33 2.58 0.20 3.92 2.01 -0.32 -4.93 115.64 120.43 3gqi s THR 509 Ca 0.40 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 3gqi s THR 509 Cb -0.18 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.16 3gqi s THR 509 CO 0.18 0.52 1.35 -0.54 -0.69 0.00 0.00 174.62 175.44 3gqi s LYS 510 N 0.81 4.35 0.28 4.92 1.02 -1.26 -1.41 119.74 128.45 3gqi s LYS 510 Ca -0.06 2.12 -0.01 0.00 0.02 0.00 0.00 55.97 58.04 3gqi s LYS 510 Cb -0.15 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3gqi s LYS 510 CO -0.00 -0.32 0.32 0.14 -0.92 0.00 0.00 175.35 174.57 3gqi s VAL 511 N 0.24 0.00 -0.02 3.17 -7.23 -0.42 -4.45 120.40 111.69 3gqi s VAL 511 Ca 0.59 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 59.04 3gqi s VAL 511 Cb -0.38 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 3gqi s VAL 511 CO 0.38 0.00 -0.26 0.00 -0.31 0.00 0.00 175.10 174.91 3gqi s ALA 512 N -3.61 2.13 -0.10 1.32 0.00 0.56 -1.35 121.76 120.72 3gqi s ALA 512 Ca 0.35 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3gqi s ALA 512 Cb 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3gqi s ALA 512 CO 0.18 0.52 -0.20 0.08 0.00 0.00 0.00 175.76 176.34 3gqi s VAL 513 N -0.58 1.76 -0.09 0.00 1.01 -0.36 0.62 120.40 122.76 3gqi s VAL 513 Ca 0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3gqi s VAL 513 Cb -0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3gqi s VAL 513 CO -0.01 0.49 0.07 -0.75 0.00 0.00 0.00 175.10 174.90 3gqi s LYS 514 N 0.55 3.17 0.23 2.72 2.20 0.13 -1.43 119.74 127.31 3gqi s LYS 514 Ca -0.15 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 3gqi s LYS 514 Cb -0.17 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 3gqi s LYS 514 CO 0.05 0.72 0.55 0.00 -0.36 0.00 0.00 175.35 176.32 3gqi s MET 515 N -1.08 1.53 0.56 4.03 0.23 -0.18 -1.96 119.30 122.44 3gqi s MET 515 Ca 0.16 -1.03 -0.16 0.00 -1.03 0.00 0.00 55.69 53.63 3gqi s MET 515 Cb -0.12 0.52 -0.06 0.00 -1.53 0.00 0.00 34.83 33.65 3gqi s MET 515 CO 0.05 -0.66 1.02 -0.51 -2.03 0.00 0.00 175.02 172.89 3gqi s LEU 516 N -2.94 3.54 0.00 0.18 1.43 -1.26 -0.92 118.68 118.71 3gqi s LEU 516 Ca 0.14 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.83 3gqi s LEU 516 Cb -0.02 -4.52 0.14 0.00 0.03 0.00 0.00 46.19 41.83 3gqi s LEU 516 CO 0.04 -0.89 0.86 0.29 0.23 0.00 0.00 176.35 176.88 3gqi n LYS 517 N -1.87 -0.76 -0.19 1.70 5.02 -1.26 -4.73 118.16 116.06 3gqi n LYS 517 Ca 0.08 -1.42 -0.10 0.00 -2.02 0.00 0.00 58.31 54.85 3gqi n LYS 517 Cb 0.53 -0.86 0.02 0.00 -0.02 0.00 0.00 35.03 34.70 3gqi n LYS 517 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3gqi h SER 518 N -1.09 1.04 -0.70 4.39 0.02 -1.99 -3.11 113.55 112.12 3gqi h SER 518 Ca -0.28 -0.33 -0.37 0.00 -0.84 0.00 0.00 61.79 59.96 3gqi h SER 518 Cb 0.79 -0.28 -0.22 0.00 0.14 0.00 0.00 62.40 62.83 3gqi h SER 518 CO 0.21 1.13 0.47 -0.90 -1.14 0.00 0.00 176.83 176.61 3gqi n ASP 519 N -4.15 3.72 -4.77 3.07 5.75 -1.26 -4.97 116.55 113.94 3gqi n ASP 519 Ca 0.02 -3.15 -0.39 0.00 -0.01 0.00 0.00 54.79 51.26 3gqi n ASP 519 Cb 0.39 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 3gqi n ASP 519 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gqi s ALA 520 N -2.35 3.30 0.59 2.12 0.00 -1.18 -5.05 121.76 119.21 3gqi s ALA 520 Ca 0.40 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3gqi s ALA 520 Cb 0.34 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 20.21 3gqi s ALA 520 CO 0.07 -0.24 0.82 0.95 0.00 0.00 0.00 175.76 177.36 3gqi s THR 521 N -1.31 2.34 0.10 0.00 -4.23 -1.26 -4.99 115.64 106.29 3gqi s THR 521 Ca 0.49 -0.83 -0.25 0.00 -1.18 0.00 0.00 61.69 59.92 3gqi s THR 521 Cb -0.30 -2.51 -0.12 0.00 1.34 0.00 0.00 72.50 70.92 3gqi s THR 521 CO 0.38 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.82 3gqi h GLU 522 N 0.01 -0.28 -0.63 3.99 3.07 -2.01 -2.72 114.58 116.02 3gqi h GLU 522 Ca -0.35 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.66 3gqi h GLU 522 Cb 1.28 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 29.14 3gqi h GLU 522 CO 0.43 -0.19 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.56 3gqi h LYS 523 N -0.29 0.06 -0.74 2.33 1.63 -2.00 -0.17 116.57 117.38 3gqi h LYS 523 Ca 0.01 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3gqi h LYS 523 Cb 0.28 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3gqi h LYS 523 CO -0.04 0.04 0.48 -0.44 -3.45 0.00 0.00 179.45 176.04 3gqi h ASP 524 N 0.06 0.71 -0.69 4.20 3.32 -1.88 -2.10 116.42 120.03 3gqi h ASP 524 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3gqi h ASP 524 Cb 0.51 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3gqi h ASP 524 CO -0.59 0.46 0.33 0.25 -1.72 0.00 0.00 179.24 177.97 3gqi h LEU 525 N 0.81 0.91 -1.05 1.55 5.85 -0.77 -1.26 115.31 121.35 3gqi h LEU 525 Ca 0.31 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3gqi h LEU 525 Cb 0.20 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3gqi h LEU 525 CO -0.10 0.79 -0.38 0.77 -0.34 0.00 0.00 178.44 179.18 3gqi h SER 526 N 0.97 0.19 -0.53 1.25 4.64 -1.15 -0.77 113.55 118.15 3gqi h SER 526 Ca 0.24 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 3gqi h SER 526 Cb 0.13 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3gqi h SER 526 CO -0.03 0.56 -0.10 0.44 -0.87 0.00 0.00 176.83 176.83 3gqi h ASP 527 N 0.16 1.00 -0.01 4.97 3.32 -0.86 -1.40 116.42 123.60 3gqi h ASP 527 Ca 0.02 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.57 3gqi h ASP 527 Cb 0.75 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3gqi h ASP 527 CO 0.06 1.12 -0.48 0.25 -1.72 0.00 0.00 179.24 178.46 3gqi h LEU 528 N 0.87 0.62 0.33 1.55 5.85 -0.79 0.01 115.31 123.76 3gqi h LEU 528 Ca 0.14 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3gqi h LEU 528 Cb 0.66 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3gqi h LEU 528 CO 0.05 1.00 -0.16 0.40 -0.34 0.00 0.00 178.44 179.39 3gqi h ILE 529 N 0.45 0.68 -0.15 4.05 1.08 -1.02 -1.82 117.51 120.78 3gqi h ILE 529 Ca 0.02 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3gqi h ILE 529 Cb 1.01 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 3gqi h ILE 529 CO 0.09 0.01 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.02 3gqi h SER 530 N -0.48 -0.82 -0.81 1.72 0.87 -1.14 -0.74 113.55 112.16 3gqi h SER 530 Ca -0.05 0.13 0.17 0.00 -1.23 0.00 0.00 61.79 60.82 3gqi h SER 530 Cb 0.36 0.37 -0.11 0.00 -0.44 0.00 0.00 62.40 62.58 3gqi h SER 530 CO 0.07 -0.31 0.31 -0.08 -0.53 0.00 0.00 176.83 176.30 3gqi h GLU 531 N -0.32 0.39 -0.37 2.24 4.81 -0.83 0.17 114.58 120.66 3gqi h GLU 531 Ca 0.11 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3gqi h GLU 531 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3gqi h GLU 531 CO -0.34 0.26 -0.27 1.98 -0.73 0.00 0.00 179.01 179.91 3gqi h MET 532 N 0.40 0.77 -0.31 1.92 4.05 -0.58 -2.58 114.93 118.61 3gqi h MET 532 Ca 0.47 -0.34 -0.17 0.00 -0.28 0.00 0.00 59.70 59.38 3gqi h MET 532 Cb 0.79 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 3gqi h MET 532 CO -0.47 0.95 -0.48 0.93 0.23 0.00 0.00 176.91 178.07 3gqi h GLU 533 N 0.67 0.85 -0.53 0.39 4.39 0.38 -3.01 114.58 117.72 3gqi h GLU 533 Ca 0.08 -0.50 0.03 0.00 0.34 0.00 0.00 59.36 59.31 3gqi h GLU 533 Cb 0.79 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 3gqi h GLU 533 CO 0.07 1.13 0.31 1.98 -1.16 0.00 0.00 179.01 181.34 3gqi h MET 534 N 0.67 0.60 0.00 2.33 4.05 -0.64 -1.63 114.93 120.31 3gqi h MET 534 Ca 0.03 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3gqi h MET 534 Cb 1.07 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 3gqi h MET 534 CO 0.11 0.40 -0.11 0.52 0.23 0.00 0.00 176.91 178.06 3gqi h MET 535 N 0.62 0.00 0.09 0.39 2.86 -1.41 -0.60 114.93 116.88 3gqi h MET 535 Ca 0.21 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.58 3gqi h MET 535 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3gqi h MET 535 CO -0.10 0.11 -1.30 0.87 1.06 0.00 0.00 176.91 177.54 3gqi h LYS 536 N 0.00 0.20 0.00 1.72 1.57 -1.22 -3.26 116.57 115.58 3gqi h LYS 536 Ca -0.00 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 3gqi h LYS 536 Cb 0.33 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3gqi h LYS 536 CO 0.01 1.11 -0.77 1.98 -0.57 0.00 0.00 179.45 181.21 3gqi h MET 537 N 0.05 0.00 0.00 3.15 4.05 -0.81 -3.32 114.93 118.06 3gqi h MET 537 Ca -0.15 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.05 3gqi h MET 537 Cb 1.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 3gqi h MET 537 CO 0.17 0.77 -0.94 0.82 0.23 0.00 0.00 176.91 177.96 3gqi h ILE 538 N 0.00 1.41 0.00 1.77 2.04 -1.23 -3.50 117.51 118.00 3gqi h ILE 538 Ca -0.01 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3gqi h ILE 538 Cb 1.49 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 3gqi h ILE 538 CO 0.10 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.59 3gqi n GLY 539 N 0.95 -0.76 3.76 5.37 0.00 -1.23 -4.97 105.19 108.31 3gqi n GLY 539 Ca -0.07 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 3gqi n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqi s LYS 540 N -2.04 4.62 -0.17 1.61 -0.14 -1.26 -5.03 119.74 117.33 3gqi s LYS 540 Ca 0.00 1.65 -0.18 0.00 -1.36 0.00 0.00 55.97 56.08 3gqi s LYS 540 Cb 0.00 -3.09 0.05 0.00 -1.68 0.00 0.00 37.83 33.11 3gqi s LYS 540 CO 0.00 0.24 0.49 -1.58 -0.76 0.00 0.00 175.35 173.75 3gqi s HIS 541 N -1.27 -0.53 0.42 3.18 5.04 -1.26 -5.04 115.29 115.84 3gqi s HIS 541 Ca 0.46 1.26 0.25 0.00 -1.54 0.00 0.00 55.06 55.49 3gqi s HIS 541 Cb -0.28 0.19 1.29 0.00 0.04 0.00 0.00 32.58 33.82 3gqi s HIS 541 CO 0.36 -0.29 1.68 -0.22 -2.34 0.00 0.00 174.74 173.94 3gqi h LYS 542 N 5.16 0.20 -0.29 2.88 1.63 -1.96 -1.21 116.57 122.98 3gqi h LYS 542 Ca -0.28 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.46 3gqi h LYS 542 Cb 1.17 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 3gqi h LYS 542 CO 0.21 0.13 -0.00 0.09 -3.45 0.00 0.00 179.45 176.44 3gqi n ASN 543 N -4.67 3.51 -4.13 4.20 4.13 -1.26 -4.86 115.26 112.18 3gqi n ASN 543 Ca 0.32 -3.22 -0.27 0.00 1.68 0.00 0.00 54.58 53.09 3gqi n ASN 543 Cb 1.20 -0.57 -0.16 0.00 -1.54 0.00 0.00 39.78 38.70 3gqi n ASN 543 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gqi s ILE 544 N -2.95 1.52 0.14 2.41 1.01 -0.46 -0.96 121.20 121.91 3gqi s ILE 544 Ca 0.43 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 60.02 3gqi s ILE 544 Cb 0.36 -1.32 -0.12 0.00 0.01 0.00 0.00 42.46 41.39 3gqi s ILE 544 CO 0.07 0.44 1.76 0.00 0.00 0.00 0.00 174.94 177.20 3gqi n ILE 545 N 3.41 0.21 -3.31 2.92 0.13 -0.94 -4.49 119.36 117.28 3gqi n ILE 545 Ca -0.20 -0.04 -0.38 0.00 -1.10 0.00 0.00 62.75 61.03 3gqi n ILE 545 Cb 0.53 -1.95 -0.06 0.00 -0.84 0.00 0.00 39.64 37.32 3gqi n ILE 545 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 3gqi s ASN 546 N 2.04 7.01 -0.02 9.51 0.02 -1.26 -4.94 114.94 127.30 3gqi s ASN 546 Ca 0.80 1.20 -0.30 0.00 -1.02 0.00 0.00 52.86 53.54 3gqi s ASN 546 Cb -0.55 -2.34 -0.03 0.00 0.02 0.00 0.00 41.25 38.35 3gqi s ASN 546 CO 0.37 0.27 1.13 -0.22 0.02 0.00 0.00 177.10 178.67 3gqi s LEU 547 N -1.03 4.31 -0.14 0.60 2.96 -1.26 -2.02 118.68 122.10 3gqi s LEU 547 Ca 0.28 1.79 0.09 0.00 -0.22 0.00 0.00 54.13 56.07 3gqi s LEU 547 Cb -0.19 -3.57 -0.23 0.00 0.50 0.00 0.00 46.19 42.70 3gqi s LEU 547 CO 0.18 -0.47 0.30 0.18 -1.32 0.00 0.00 176.35 175.22 3gqi n LEU 548 N 4.60 1.22 0.00 -0.68 4.77 0.55 -4.95 117.00 122.50 3gqi n LEU 548 Ca 0.09 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3gqi n LEU 548 Cb 0.48 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gqi n LEU 548 CO 0.54 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3gqi n GLY 549 N 1.80 -0.83 3.54 -0.72 0.00 -1.04 -4.98 105.19 102.96 3gqi n GLY 549 Ca -0.29 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 3gqi n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqi s ALA 550 N -1.00 -1.68 -0.30 4.61 0.00 -0.89 -1.18 121.76 121.32 3gqi s ALA 550 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3gqi s ALA 550 Cb 0.00 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.84 3gqi s ALA 550 CO 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 175.76 174.99 3gqi n THR 552 N 4.52 0.15 -3.56 0.00 -2.24 -1.26 -0.71 114.28 111.17 3gqi n THR 552 Ca -0.03 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 3gqi n THR 552 Cb 0.43 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 3gqi n THR 552 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gqi s GLN 553 N -2.57 3.76 -1.21 -0.78 -1.52 -1.26 -4.19 119.66 111.89 3gqi s GLN 553 Ca -0.04 0.17 -0.35 0.00 -1.95 0.00 0.00 55.36 53.20 3gqi s GLN 553 Cb 0.05 -2.95 0.05 0.00 -0.22 0.00 0.00 33.01 29.94 3gqi s GLN 553 CO 0.40 0.53 0.65 -0.25 -0.25 0.00 0.00 175.29 176.37 3gqi n ASP 554 N 0.74 -3.90 0.00 5.90 8.00 -1.26 -4.82 116.55 121.21 3gqi n ASP 554 Ca -0.07 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.14 3gqi n ASP 554 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3gqi n ASP 554 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqi n GLY 555 N -2.11 -0.50 3.77 0.44 0.00 -1.26 -5.08 105.19 100.45 3gqi n GLY 555 Ca -0.11 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 3gqi n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqi s PRO 556 N -2.00 4.29 -0.03 1.61 0.04 -1.26 -4.87 135.00 132.78 3gqi s PRO 556 Ca 0.00 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 3gqi s PRO 556 Cb 0.00 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 3gqi s PRO 556 CO 0.00 -0.18 1.42 -1.17 0.04 0.00 0.00 177.00 177.11 3gqi s LEU 557 N -1.96 4.30 -0.16 -3.56 2.96 -1.25 -4.66 118.68 114.35 3gqi s LEU 557 Ca 0.51 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 3gqi s LEU 557 Cb -0.36 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.79 3gqi s LEU 557 CO 0.47 -0.75 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.25 3gqi s TYR 558 N 2.80 2.74 -0.34 5.38 2.02 0.11 -4.55 117.35 125.51 3gqi s TYR 558 Ca 0.64 -1.32 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 3gqi s TYR 558 Cb -0.30 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 3gqi s TYR 558 CO 0.25 -0.62 0.17 0.08 -1.57 0.00 0.00 175.55 173.87 3gqi s VAL 559 N 0.97 4.61 -0.25 0.71 1.01 -0.83 -0.87 120.40 125.75 3gqi s VAL 559 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 3gqi s VAL 559 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3gqi s VAL 559 CO -0.04 -0.05 0.28 -0.63 0.00 0.00 0.00 175.10 174.66 3gqi s ILE 560 N 1.59 5.26 0.24 2.22 1.01 -0.33 0.17 121.20 131.37 3gqi s ILE 560 Ca 0.04 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.12 3gqi s ILE 560 Cb -0.18 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3gqi s ILE 560 CO 0.06 0.24 0.00 0.68 0.00 0.00 0.00 174.94 175.93 3gqi s VAL 561 N 1.62 1.05 0.41 2.92 -7.23 0.20 -0.33 120.40 119.04 3gqi s VAL 561 Ca 0.12 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.00 3gqi s VAL 561 Cb -0.15 -2.40 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 3gqi s VAL 561 CO 0.09 -0.28 1.31 1.21 -0.31 0.00 0.00 175.10 177.12 3gqi n GLU 562 N -0.45 2.05 -3.15 4.82 2.13 -0.86 -0.32 120.64 124.86 3gqi n GLU 562 Ca -0.05 0.73 -0.40 0.00 0.66 0.00 0.00 57.16 58.10 3gqi n GLU 562 Cb 0.64 -2.43 -0.06 0.00 0.27 0.00 0.00 31.44 29.86 3gqi n GLU 562 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3gqi s TYR 563 N -1.18 3.33 -0.66 4.31 5.04 -1.26 -4.43 117.35 122.50 3gqi s TYR 563 Ca 0.60 0.83 -0.13 0.00 -2.44 0.00 0.00 57.07 55.92 3gqi s TYR 563 Cb -0.50 -2.78 0.17 0.00 0.35 0.00 0.00 41.96 39.20 3gqi s TYR 563 CO 0.59 -0.22 0.59 0.00 -1.34 0.00 0.00 175.55 175.16 3gqi s ALA 564 N 2.11 3.79 -1.10 3.97 0.00 -1.26 -4.88 121.76 124.38 3gqi s ALA 564 Ca 0.26 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.30 3gqi s ALA 564 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3gqi s ALA 564 CO 0.09 -2.12 0.82 -1.13 0.00 0.00 0.00 175.76 173.43 3gqi n SER 565 N 4.53 0.00 -0.37 0.00 3.41 -1.26 -2.16 113.62 117.78 3gqi n SER 565 Ca 0.00 0.34 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 3gqi n SER 565 Cb 0.43 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 64.13 3gqi n SER 565 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gqi n LYS 566 N -1.32 2.88 0.00 4.33 5.02 -0.41 -4.89 118.16 123.78 3gqi n LYS 566 Ca 0.00 -1.81 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 3gqi n LYS 566 Cb 0.04 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3gqi n LYS 566 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqi n GLY 567 N 0.10 -1.09 3.87 0.72 0.00 -0.92 -4.51 105.19 103.36 3gqi n GLY 567 Ca 0.07 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 3gqi n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqi s ASN 568 N -4.00 6.49 0.38 1.61 2.20 -1.26 -0.46 114.94 119.91 3gqi s ASN 568 Ca 0.00 1.22 0.12 0.00 -0.94 0.00 0.00 52.86 53.26 3gqi s ASN 568 Cb 0.00 -2.36 0.91 0.00 -2.00 0.00 0.00 41.25 37.80 3gqi s ASN 568 CO 0.00 -0.49 1.89 0.25 -2.94 0.00 0.00 177.10 175.81 3gqi h LEU 569 N 0.96 0.55 0.02 3.54 5.85 0.54 -1.01 115.31 125.76 3gqi h LEU 569 Ca -0.47 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3gqi h LEU 569 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3gqi h LEU 569 CO 0.63 0.28 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.91 3gqi h ARG 570 N 0.58 -0.03 -0.60 1.25 2.43 -1.83 -1.03 114.38 115.16 3gqi h ARG 570 Ca 0.41 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 3gqi h ARG 570 Cb 0.76 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3gqi h ARG 570 CO -0.17 -0.02 -0.00 0.93 -1.51 0.00 0.00 179.97 179.20 3gqi h GLU 571 N -0.03 1.06 0.15 0.20 5.08 -1.78 -2.36 114.58 116.89 3gqi h GLU 571 Ca -0.00 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3gqi h GLU 571 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3gqi h GLU 571 CO 0.00 1.04 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.93 3gqi h TYR 572 N 0.95 -0.53 -0.43 4.33 3.20 -1.02 -2.54 116.97 120.94 3gqi h TYR 572 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3gqi h TYR 572 Cb 0.56 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 3gqi h TYR 572 CO 0.04 -0.30 0.24 -0.07 -1.64 0.00 0.00 178.16 176.43 3gqi h LEU 573 N -0.41 0.53 -1.28 2.82 3.38 -1.12 -3.04 115.31 116.18 3gqi h LEU 573 Ca 0.01 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3gqi h LEU 573 Cb 0.41 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3gqi h LEU 573 CO -0.08 0.45 0.50 1.56 0.09 0.00 0.00 178.44 180.96 3gqi h GLN 574 N 0.56 0.91 0.00 1.13 4.20 -1.33 -0.45 115.11 120.12 3gqi h GLN 574 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gqi h GLN 574 Cb 0.04 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3gqi h GLN 574 CO -0.03 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 3gqi n ALA 575 N -2.43 2.39 0.07 3.87 0.00 -0.97 -2.32 120.51 121.13 3gqi n ALA 575 Ca 0.10 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3gqi n ALA 575 Cb 0.12 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.25 3gqi n ALA 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gqi n ARG 576 N -0.93 0.85 -1.98 0.00 5.12 -0.19 -4.99 116.66 114.54 3gqi n ARG 576 Ca 0.16 -1.09 -0.35 0.00 -1.93 0.00 0.00 57.85 54.64 3gqi n ARG 576 Cb 0.07 -1.07 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 3gqi n ARG 576 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3gqi s ARG 577 N -0.57 2.98 0.91 5.56 0.52 -0.98 -4.42 118.95 122.95 3gqi s ARG 577 Ca 0.05 1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 3gqi s ARG 577 Cb 0.03 -1.95 0.14 0.00 0.52 0.00 0.00 34.95 33.69 3gqi s ARG 577 CO 0.05 -1.15 1.10 -2.14 0.02 0.00 0.00 175.30 173.18 3gqi s PRO 578 N -3.57 1.11 -0.01 3.54 0.02 -1.26 -5.00 135.00 129.83 3gqi s PRO 578 Ca 0.73 0.60 -0.16 0.00 0.02 0.00 0.00 61.00 62.19 3gqi s PRO 578 Cb -0.25 -1.81 -0.33 0.00 0.02 0.00 0.00 34.50 32.12 3gqi s PRO 578 CO 0.34 -2.28 0.87 -1.35 -0.33 0.00 0.00 177.00 174.24 3gqi h PRO 579 N -1.57 0.45 0.00 5.54 0.11 -1.96 -3.51 132.00 131.06 3gqi h PRO 579 Ca -0.51 -0.76 0.00 0.00 0.11 0.00 0.00 66.00 64.84 3gqi h PRO 579 Cb 1.30 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.70 3gqi h PRO 579 CO 0.58 1.36 0.00 0.41 -0.21 0.00 0.00 178.00 180.14 3gqi n GLY 580 N 1.75 2.31 3.78 -0.55 0.00 -1.26 -4.77 105.19 106.45 3gqi n GLY 580 Ca -0.19 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 3gqi n GLY 580 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqi s LEU 581 N 0.00 4.08 0.00 0.99 1.43 -1.26 -3.00 118.68 120.92 3gqi s LEU 581 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3gqi s LEU 581 Cb 0.00 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.96 3gqi s LEU 581 CO 0.00 -0.56 0.00 -0.62 0.23 0.00 0.00 176.35 175.40 3gqi n GLU 582 N -0.26 0.00 -4.39 1.70 -0.58 -1.26 -4.96 120.64 110.90 3gqi n GLU 582 Ca 0.06 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 3gqi n GLU 582 Cb 0.50 -3.48 -0.13 0.00 -0.57 0.00 0.00 31.44 27.76 3gqi n GLU 582 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3gqi s PHE 583 N -2.14 2.32 0.07 -0.32 0.40 -1.16 -5.15 117.98 111.99 3gqi s PHE 583 Ca 0.00 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3gqi s PHE 583 Cb 0.00 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3gqi s PHE 583 CO 0.00 0.37 -0.06 -1.12 0.70 0.00 0.00 175.22 175.11 3gqi s SER 584 N -2.16 0.89 0.31 1.36 0.01 -1.26 -4.32 113.70 108.52 3gqi s SER 584 Ca 0.15 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 3gqi s SER 584 Cb -0.10 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.14 3gqi s SER 584 CO 0.07 -0.41 0.73 -0.36 0.41 0.00 0.00 173.24 173.68 3gqi s PHE 585 N -2.92 3.39 -0.02 2.43 0.08 -1.26 -4.98 117.98 114.70 3gqi s PHE 585 Ca 0.03 1.21 0.02 0.00 0.12 0.00 0.00 56.93 58.31 3gqi s PHE 585 Cb 0.01 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 3gqi s PHE 585 CO -0.04 0.12 -0.07 1.21 -0.10 0.00 0.00 175.22 176.34 3gqi s ASN 586 N -2.23 0.90 -0.75 1.36 2.47 -1.26 -0.64 114.94 114.78 3gqi s ASN 586 Ca 0.53 -0.13 -0.07 0.00 0.42 0.00 0.00 52.86 53.60 3gqi s ASN 586 Cb -0.11 -0.21 -0.15 0.00 -1.45 0.00 0.00 41.25 39.33 3gqi s ASN 586 CO 0.18 0.05 3.23 -0.81 -3.72 0.00 0.00 177.10 176.03 3gqi n PRO 587 N 3.25 2.86 -3.84 0.43 -0.04 -1.26 -4.73 135.00 131.66 3gqi n PRO 587 Ca -0.17 -1.72 -0.24 0.00 -0.04 0.00 0.00 63.50 61.33 3gqi n PRO 587 Cb 0.55 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3gqi n PRO 587 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gqi n SER 588 N 2.75 -0.69 -4.09 3.54 3.41 0.19 -4.93 113.62 113.80 3gqi n SER 588 Ca 0.59 -0.93 -0.37 0.00 -0.26 0.00 0.00 58.87 57.90 3gqi n SER 588 Cb 0.58 -3.48 0.07 0.00 -0.26 0.00 0.00 64.21 61.12 3gqi n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqi n HIS 589 N -4.34 -1.90 -1.32 7.33 1.44 -1.26 -4.65 115.22 110.52 3gqi n HIS 589 Ca -0.31 0.41 -0.43 0.00 -2.01 0.00 0.00 57.72 55.38 3gqi n HIS 589 Cb 0.68 -1.46 -0.13 0.00 0.12 0.00 0.00 29.99 29.21 3gqi n HIS 589 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3gqi n ASN 590 N 1.93 0.40 -0.02 4.39 3.02 -1.26 -4.79 115.26 118.93 3gqi n ASN 590 Ca -0.01 0.31 0.15 0.00 -0.03 0.00 0.00 54.58 55.00 3gqi n ASN 590 Cb 0.68 -0.85 0.78 0.00 -0.61 0.00 0.00 39.78 39.78 3gqi n ASN 590 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3gqi n PRO 591 N 7.60 0.58 0.12 3.52 -0.04 -1.26 -3.24 135.00 142.27 3gqi n PRO 591 Ca 0.58 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 3gqi n PRO 591 Cb 0.01 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.12 3gqi n PRO 591 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3gqi h GLU 592 N 0.09 0.00 -0.02 0.54 4.11 -1.99 -3.30 114.58 114.01 3gqi h GLU 592 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3gqi h GLU 592 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gqi h GLU 592 CO 0.00 0.00 -0.14 0.39 0.07 0.00 0.00 179.01 179.33 3gqi n GLU 593 N -2.55 1.73 -1.90 1.06 1.02 -1.20 -4.88 120.64 113.92 3gqi n GLU 593 Ca 0.03 -1.31 -0.43 0.00 -0.02 0.00 0.00 57.16 55.43 3gqi n GLU 593 Cb 0.49 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 3gqi n GLU 593 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gqi s GLN 594 N -2.18 3.79 0.45 3.49 -1.52 -1.25 -4.92 119.66 117.53 3gqi s GLN 594 Ca 0.28 2.01 -0.24 0.00 -1.95 0.00 0.00 55.36 55.46 3gqi s GLN 594 Cb 0.20 -4.13 -0.07 0.00 -0.22 0.00 0.00 33.01 28.79 3gqi s GLN 594 CO 0.40 -1.33 1.23 -0.51 -0.25 0.00 0.00 175.29 174.83 3gqi s LEU 595 N 5.51 4.06 0.50 2.90 1.43 -1.26 -5.06 118.68 126.76 3gqi s LEU 595 Ca 0.81 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 56.46 3gqi s LEU 595 Cb -0.31 -4.13 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3gqi s LEU 595 CO 0.33 -0.97 0.61 -0.94 0.23 0.00 0.00 176.35 175.61 3gqi s SER 596 N -1.11 5.19 0.41 2.29 1.04 -1.26 -4.97 113.70 115.28 3gqi s SER 596 Ca 0.62 -0.76 0.09 0.00 0.48 0.00 0.00 55.95 56.38 3gqi s SER 596 Cb -0.33 -0.10 0.87 0.00 0.10 0.00 0.00 66.02 66.55 3gqi s SER 596 CO 0.41 -1.03 1.99 0.77 0.98 0.00 0.00 173.24 176.36 3gqi h SER 597 N 0.52 0.29 -0.05 7.02 4.64 -1.98 -1.47 113.55 122.53 3gqi h SER 597 Ca -0.36 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3gqi h SER 597 Cb 1.28 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gqi h SER 597 CO 0.47 0.33 0.00 0.50 -0.87 0.00 0.00 176.83 177.26 3gqi h LYS 598 N 0.32 0.08 -0.20 4.77 1.63 -1.95 -2.66 116.57 118.57 3gqi h LYS 598 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3gqi h LYS 598 Cb 0.18 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3gqi h LYS 598 CO 0.00 0.36 0.13 -0.44 -3.45 0.00 0.00 179.45 176.05 3gqi h ASP 599 N -0.20 0.24 -0.23 4.20 3.32 -1.75 -1.05 116.42 120.94 3gqi h ASP 599 Ca 0.01 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3gqi h ASP 599 Cb 0.32 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gqi h ASP 599 CO 0.00 0.18 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.34 3gqi h LEU 600 N 0.28 0.65 -0.79 1.55 3.38 -1.19 -2.47 115.31 116.71 3gqi h LEU 600 Ca 0.07 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3gqi h LEU 600 Cb -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gqi h LEU 600 CO -0.01 1.02 0.23 0.58 0.09 0.00 0.00 178.44 180.34 3gqi h VAL 601 N 0.30 1.26 -0.74 1.22 2.07 -1.07 -2.29 116.25 117.00 3gqi h VAL 601 Ca 0.03 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.70 3gqi h VAL 601 Cb 0.86 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3gqi h VAL 601 CO 0.07 0.35 0.49 -1.28 0.02 0.00 0.00 177.57 177.22 3gqi h SER 602 N 1.09 0.72 -0.02 0.57 0.87 -1.13 0.53 113.55 116.17 3gqi h SER 602 Ca 0.24 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 3gqi h SER 602 Cb 0.31 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3gqi h SER 602 CO -0.01 0.47 -0.40 0.00 -0.53 0.00 0.00 176.83 176.37 3gqi h ALA 604 N 1.12 0.29 -0.01 0.00 0.00 -0.95 -2.85 119.26 116.86 3gqi h ALA 604 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3gqi h ALA 604 Cb 0.89 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3gqi h ALA 604 CO 0.08 0.52 -0.07 -0.92 0.00 0.00 0.00 179.25 178.85 3gqi h TYR 605 N 0.36 -0.18 -1.00 0.00 3.20 -0.86 -1.06 116.97 117.44 3gqi h TYR 605 Ca -0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3gqi h TYR 605 Cb 1.19 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.49 3gqi h TYR 605 CO 0.09 -0.11 0.66 1.96 -1.64 0.00 0.00 178.16 179.12 3gqi h GLN 606 N -0.12 1.25 -0.15 1.82 4.20 -1.32 0.14 115.11 120.93 3gqi h GLN 606 Ca 0.03 -0.08 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 3gqi h GLN 606 Cb 0.16 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3gqi h GLN 606 CO -0.08 0.83 -0.62 0.28 -0.67 0.00 0.00 178.83 178.57 3gqi h VAL 607 N 1.29 1.33 -0.49 -0.54 2.07 -1.31 -1.94 116.25 116.67 3gqi h VAL 607 Ca 0.39 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3gqi h VAL 607 Cb -0.05 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3gqi h VAL 607 CO -0.11 0.59 0.22 0.00 0.02 0.00 0.00 177.57 178.29 3gqi h ALA 608 N 0.93 0.63 -0.77 1.67 0.00 -0.15 -0.40 119.26 121.16 3gqi h ALA 608 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gqi h ALA 608 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3gqi h ALA 608 CO 0.11 0.21 0.49 0.00 0.00 0.00 0.00 179.25 180.06 3gqi h ARG 609 N 0.64 1.02 -0.09 0.00 3.08 -0.62 0.14 114.38 118.55 3gqi h ARG 609 Ca 0.17 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3gqi h ARG 609 Cb 0.14 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3gqi h ARG 609 CO -0.02 0.69 -0.73 0.78 -1.07 0.00 0.00 179.97 179.62 3gqi h GLY 610 N 1.06 0.51 1.78 0.04 0.00 -0.88 -2.56 103.07 103.02 3gqi h GLY 610 Ca 0.28 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 3gqi h GLY 610 CO -0.06 0.64 -0.59 -0.33 0.00 0.00 0.00 176.54 176.20 3gqi h MET 611 N 0.32 0.23 -0.69 4.80 2.86 -0.59 -1.72 114.93 120.14 3gqi h MET 611 Ca -0.03 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 3gqi h MET 611 Cb 1.31 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 3gqi h MET 611 CO 0.13 0.75 0.16 1.49 1.06 0.00 0.00 176.91 180.49 3gqi h GLU 612 N 0.17 1.11 -0.49 1.72 4.81 -0.70 0.66 114.58 121.87 3gqi h GLU 612 Ca -0.00 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3gqi h GLU 612 Cb 1.08 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3gqi h GLU 612 CO 0.09 0.99 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.29 3gqi h TYR 613 N 1.04 1.09 -0.67 0.92 3.20 -1.28 -1.33 116.97 119.94 3gqi h TYR 613 Ca 0.21 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3gqi h TYR 613 Cb 0.39 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3gqi h TYR 613 CO 0.03 1.05 0.26 1.25 -1.64 0.00 0.00 178.16 179.11 3gqi h LEU 614 N 0.82 0.91 -0.51 2.82 5.85 -0.84 -2.32 115.31 122.04 3gqi h LEU 614 Ca 0.12 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 3gqi h LEU 614 Cb 0.72 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3gqi h LEU 614 CO 0.06 0.82 -0.55 0.00 -0.34 0.00 0.00 178.44 178.43 3gqi h ALA 615 N 1.31 0.69 0.00 1.25 0.00 -0.72 -2.34 119.26 119.44 3gqi h ALA 615 Ca 0.23 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3gqi h ALA 615 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gqi h ALA 615 CO -0.02 0.69 -0.04 0.66 0.00 0.00 0.00 179.25 180.54 3gqi h SER 616 N 0.44 0.00 -0.42 0.00 4.64 -0.79 0.48 113.55 117.91 3gqi h SER 616 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gqi h SER 616 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3gqi h SER 616 CO 0.10 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 3gqi n LYS 617 N -3.27 2.38 -3.60 4.77 4.76 -0.92 -4.93 118.16 117.35 3gqi n LYS 617 Ca -0.01 -1.67 -0.20 0.00 -2.87 0.00 0.00 58.31 53.55 3gqi n LYS 617 Cb 0.20 -1.51 0.05 0.00 -1.84 0.00 0.00 35.03 31.93 3gqi n LYS 617 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3gqi n LYS 618 N 0.68 -5.60 -4.25 1.97 4.01 0.16 -4.87 118.16 110.26 3gqi n LYS 618 Ca 0.15 0.71 -0.17 0.00 -0.51 0.00 0.00 58.31 58.49 3gqi n LYS 618 Cb 0.49 -5.45 -0.13 0.00 -0.51 0.00 0.00 35.03 29.43 3gqi n LYS 618 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gqi s ILE 620 N -0.65 3.43 -0.11 0.00 -4.36 -0.72 -4.18 121.20 114.61 3gqi s ILE 620 Ca -0.01 -0.57 -0.28 0.00 -0.26 0.00 0.00 60.65 59.53 3gqi s ILE 620 Cb -0.06 -2.39 -0.25 0.00 1.25 0.00 0.00 42.46 41.01 3gqi s ILE 620 CO 0.00 0.58 0.89 -0.74 0.24 0.00 0.00 174.94 175.92 3gqi h HIS 621 N 5.54 0.01 0.00 1.37 -0.00 -1.90 -1.11 115.15 119.07 3gqi h HIS 621 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3gqi h HIS 621 Cb 1.17 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3gqi h HIS 621 CO 0.53 0.88 0.00 0.54 -0.00 0.00 0.00 177.93 179.89 3gqi n ARG 622 N -4.66 0.00 -2.72 5.26 1.74 -1.26 -2.14 116.66 112.88 3gqi n ARG 622 Ca -0.10 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.92 3gqi n ARG 622 Cb 0.43 -3.03 0.04 0.00 -1.02 0.00 0.00 32.46 28.88 3gqi n ARG 622 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gqi n ASP 623 N 0.00 1.20 -4.66 0.55 2.03 -1.26 -4.91 116.55 109.50 3gqi n ASP 623 Ca 0.00 -2.47 -0.42 0.00 0.52 0.00 0.00 54.79 52.42 3gqi n ASP 623 Cb 0.00 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 3gqi n ASP 623 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gqi s LEU 624 N -3.37 4.14 0.11 -2.67 2.96 -1.26 -4.79 118.68 113.80 3gqi s LEU 624 Ca 0.26 1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 55.20 3gqi s LEU 624 Cb 0.41 -3.39 0.08 0.00 0.50 0.00 0.00 46.19 43.79 3gqi s LEU 624 CO 0.00 -0.53 0.67 0.00 -1.32 0.00 0.00 176.35 175.17 3gqi s ALA 625 N 2.65 -1.66 0.38 5.97 0.00 -1.26 -4.75 121.76 123.09 3gqi s ALA 625 Ca 0.41 0.66 0.06 0.00 0.00 0.00 0.00 51.96 53.09 3gqi s ALA 625 Cb -0.16 0.72 0.77 0.00 0.00 0.00 0.00 23.12 24.45 3gqi s ALA 625 CO 0.10 -0.72 1.99 0.00 0.00 0.00 0.00 175.76 177.13 3gqi h ALA 626 N 2.07 1.70 0.00 0.00 0.00 -1.93 -0.23 119.26 120.87 3gqi h ALA 626 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gqi h ALA 626 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gqi h ALA 626 CO 0.37 0.22 0.00 2.89 0.00 0.00 0.00 179.25 182.72 3gqi n ARG 627 N -4.47 0.16 -0.48 0.00 1.85 -1.26 -1.66 116.66 110.81 3gqi n ARG 627 Ca 0.08 0.55 0.08 0.00 -1.00 0.00 0.00 57.85 57.56 3gqi n ARG 627 Cb 0.17 -1.92 0.27 0.00 -1.05 0.00 0.00 32.46 29.93 3gqi n ARG 627 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gqi n ASN 628 N -2.25 4.08 -4.14 2.89 3.02 -0.10 -4.81 115.26 113.95 3gqi n ASN 628 Ca -0.00 -2.72 -0.33 0.00 -0.03 0.00 0.00 54.58 51.50 3gqi n ASN 628 Cb 0.11 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 38.62 3gqi n ASN 628 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqi s VAL 629 N -2.31 2.30 0.18 2.41 1.01 -0.66 -0.79 120.40 122.54 3gqi s VAL 629 Ca 0.41 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3gqi s VAL 629 Cb 0.31 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3gqi s VAL 629 CO 0.14 0.38 0.41 -0.76 0.00 0.00 0.00 175.10 175.26 3gqi s LEU 630 N 1.28 4.23 -0.15 3.92 1.43 0.84 0.79 118.68 131.02 3gqi s LEU 630 Ca 0.02 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3gqi s LEU 630 Cb -0.15 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3gqi s LEU 630 CO -0.10 -0.01 -0.19 -0.69 0.23 0.00 0.00 176.35 175.59 3gqi s VAL 631 N -1.77 2.27 0.83 -1.59 1.01 0.40 0.33 120.40 121.87 3gqi s VAL 631 Ca 0.41 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3gqi s VAL 631 Cb -0.12 -1.93 0.19 0.00 0.00 0.00 0.00 36.38 34.52 3gqi s VAL 631 CO 0.26 0.54 1.13 0.35 0.00 0.00 0.00 175.10 177.38 3gqi n THR 632 N 4.12 0.00 -0.14 3.92 -2.24 -0.91 -1.28 114.28 117.74 3gqi n THR 632 Ca -0.20 -0.98 -0.04 0.00 -2.27 0.00 0.00 64.05 60.56 3gqi n THR 632 Cb 0.51 -1.44 0.04 0.00 -2.10 0.00 0.00 70.33 67.35 3gqi n THR 632 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gqi h GLU 633 N 0.00 0.33 -0.83 -0.78 4.57 -1.90 -1.65 114.58 114.31 3gqi h GLU 633 Ca -0.37 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 3gqi h GLU 633 Cb 1.07 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 3gqi h GLU 633 CO 0.28 0.22 0.02 -0.40 -1.18 0.00 0.00 179.01 177.95 3gqi n ASP 634 N -5.00 3.07 -1.34 1.04 5.68 -1.26 -4.91 116.55 113.83 3gqi n ASP 634 Ca 0.04 -2.42 -0.12 0.00 -0.50 0.00 0.00 54.79 51.78 3gqi n ASP 634 Cb 0.17 -0.59 -0.01 0.00 -1.14 0.00 0.00 41.12 39.55 3gqi n ASP 634 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3gqi n ASN 635 N 0.23 -3.85 -4.74 -1.12 3.02 -0.62 -5.02 115.26 103.16 3gqi n ASN 635 Ca 0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 3gqi n ASN 635 Cb 0.69 -3.04 -0.06 0.00 -0.61 0.00 0.00 39.78 36.76 3gqi n ASN 635 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqi s VAL 636 N -2.59 5.12 0.10 2.41 1.01 -1.26 -4.80 120.40 120.39 3gqi s VAL 636 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3gqi s VAL 636 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3gqi s VAL 636 CO 0.00 0.37 1.05 -0.04 0.00 0.00 0.00 175.10 176.48 3gqi s MET 637 N 0.26 4.59 -0.20 2.72 1.00 -1.26 -2.15 119.30 124.26 3gqi s MET 637 Ca 0.27 1.58 -0.00 0.00 0.00 0.00 0.00 55.69 57.53 3gqi s MET 637 Cb -0.16 -3.36 0.05 0.00 0.00 0.00 0.00 34.83 31.36 3gqi s MET 637 CO 0.12 0.03 -0.04 0.15 0.00 0.00 0.00 175.02 175.29 3gqi s LYS 638 N 0.30 1.36 0.04 2.03 -0.14 0.15 -4.36 119.74 119.12 3gqi s LYS 638 Ca 0.51 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 3gqi s LYS 638 Cb -0.26 -2.29 -0.06 0.00 -1.68 0.00 0.00 37.83 33.54 3gqi s LYS 638 CO 0.31 -0.55 1.43 0.42 -0.76 0.00 0.00 175.35 176.20 3gqi s ILE 639 N 1.57 3.54 0.27 2.17 1.01 -0.13 -0.11 121.20 129.52 3gqi s ILE 639 Ca -0.03 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3gqi s ILE 639 Cb -0.17 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3gqi s ILE 639 CO -0.07 0.02 0.06 0.00 0.00 0.00 0.00 174.94 174.94 3gqi n ALA 640 N 5.06 0.32 -3.00 9.38 0.00 0.03 -2.21 120.51 130.09 3gqi n ALA 640 Ca 0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 53.44 52.24 3gqi n ALA 640 Cb 0.43 0.82 0.00 0.00 0.00 0.00 0.00 19.45 20.70 3gqi n ALA 640 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gqi n ASP 641 N -1.53 -7.79 -1.20 0.00 -0.08 -1.26 -4.81 116.55 99.88 3gqi n ASP 641 Ca -0.07 0.07 0.04 0.00 -1.51 0.00 0.00 54.79 53.33 3gqi n ASP 641 Cb 0.38 -5.30 0.22 0.00 2.34 0.00 0.00 41.12 38.76 3gqi n ASP 641 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3gqi n PHE 642 N -1.42 1.07 0.28 -0.67 3.72 -1.26 -4.48 117.46 114.69 3gqi n PHE 642 Ca 0.03 -0.38 0.13 0.00 -0.05 0.00 0.00 57.45 57.17 3gqi n PHE 642 Cb 0.49 -0.28 0.60 0.00 -0.94 0.00 0.00 39.48 39.35 3gqi n PHE 642 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gqi h GLY 643 N 4.56 0.00 -0.39 1.37 0.00 -1.88 -2.24 103.07 104.48 3gqi h GLY 643 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gqi h GLY 643 CO 0.23 0.00 -0.12 -0.10 0.00 0.00 0.00 176.54 176.56 3gqi n LEU 644 N -2.36 1.16 -4.73 3.11 7.94 -1.26 -4.77 117.00 116.10 3gqi n LEU 644 Ca 0.00 -0.82 -0.35 0.00 -1.11 0.00 0.00 56.01 53.73 3gqi n LEU 644 Cb 0.13 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.17 3gqi n LEU 644 CO 0.15 0.24 0.82 0.00 -1.11 0.00 0.00 177.39 177.49 3gqi s ALA 645 N -1.00 2.19 0.00 1.96 0.00 -0.84 -4.66 121.76 119.40 3gqi s ALA 645 Ca 0.07 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 3gqi s ALA 645 Cb 0.06 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3gqi s ALA 645 CO 0.16 -1.78 0.17 1.03 0.00 0.00 0.00 175.76 175.34 3gqi s ARG 646 N -3.79 0.52 -0.13 0.00 1.81 -0.42 -4.99 118.95 111.97 3gqi s ARG 646 Ca 0.76 -0.37 -0.18 0.00 -1.72 0.00 0.00 55.73 54.21 3gqi s ARG 646 Cb -0.30 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3gqi s ARG 646 CO 0.43 -0.13 0.47 0.34 -0.68 0.00 0.00 175.30 175.74 3gqi s ASP 647 N -1.40 6.66 -0.18 0.23 -1.08 -1.26 -1.76 116.67 117.88 3gqi s ASP 647 Ca -0.14 0.79 0.19 0.00 -0.52 0.00 0.00 52.55 52.87 3gqi s ASP 647 Cb -0.07 -2.28 0.46 0.00 -1.46 0.00 0.00 42.92 39.57 3gqi s ASP 647 CO 0.02 -0.01 1.16 2.30 0.52 0.00 0.00 175.17 179.16 3gqi n ILE 648 N 3.74 1.25 -0.33 4.11 -5.35 -0.72 -4.94 119.36 117.13 3gqi n ILE 648 Ca -0.07 -2.63 0.24 0.00 -0.27 0.00 0.00 62.75 60.02 3gqi n ILE 648 Cb 0.52 0.57 0.47 0.00 -1.74 0.00 0.00 39.64 39.45 3gqi n ILE 648 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 3gqi h HIS 649 N 1.83 0.81 0.00 4.28 3.86 -1.90 -1.80 115.15 122.23 3gqi h HIS 649 Ca -0.06 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.05 3gqi h HIS 649 Cb 1.47 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.72 3gqi h HIS 649 CO 0.50 -0.25 -1.54 0.72 0.86 0.00 0.00 177.93 178.23 3gqi n HIS 650 N -5.13 0.00 0.11 2.45 8.25 -1.26 -4.72 115.22 114.92 3gqi n HIS 650 Ca 0.31 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.76 3gqi n HIS 650 Cb 1.00 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.76 3gqi n HIS 650 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3gqi h ILE 651 N 0.00 1.30 -0.32 1.59 2.10 -1.93 -3.56 117.51 116.69 3gqi h ILE 651 Ca -0.21 -2.61 -0.14 0.00 1.08 0.00 0.00 64.86 62.98 3gqi h ILE 651 Cb 1.43 2.50 -0.05 0.00 -1.09 0.00 0.00 36.82 39.60 3gqi h ILE 651 CO -0.00 0.69 -0.12 0.47 -1.08 0.00 0.00 178.15 178.10 3gqi n ASP 652 N -3.40 -5.07 -3.16 2.19 9.92 -0.68 -5.12 116.55 111.22 3gqi n ASP 652 Ca 0.00 0.17 0.05 0.00 -0.53 0.00 0.00 54.79 54.48 3gqi n ASP 652 Cb 0.77 -3.16 -0.02 0.00 -0.64 0.00 0.00 41.12 38.07 3gqi n ASP 652 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3gqi s LYS 655 N -2.27 0.13 -0.12 -1.24 2.20 -1.26 -4.91 119.74 112.26 3gqi s LYS 655 Ca 0.00 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 3gqi s LYS 655 Cb 0.00 0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.40 3gqi s LYS 655 CO 0.00 -0.13 1.94 0.21 -0.36 0.00 0.00 175.35 177.01 3gqi s LYS 656 N 2.87 3.71 -0.14 4.03 2.47 -1.04 -4.89 119.74 126.76 3gqi s LYS 656 Ca -0.04 2.13 -0.11 0.00 -1.56 0.00 0.00 55.97 56.39 3gqi s LYS 656 Cb -0.09 -4.19 -0.08 0.00 -1.46 0.00 0.00 37.83 32.01 3gqi s LYS 656 CO -0.10 -1.43 0.06 1.79 0.16 0.00 0.00 175.35 175.83 3gqi h THR 657 N 6.27 0.38 -1.63 3.43 1.35 -2.01 -3.48 112.91 117.22 3gqi h THR 657 Ca -0.42 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3gqi h THR 657 Cb 1.21 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3gqi h THR 657 CO 0.97 0.13 0.00 0.35 -0.25 0.00 0.00 175.52 176.72 3gqi n THR 658 N -4.62 0.00 -4.46 6.82 -2.24 -1.26 -5.11 114.28 103.41 3gqi n THR 658 Ca -0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 3gqi n THR 658 Cb 0.30 -1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 3gqi n THR 658 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gqi n ASN 659 N -2.61 2.45 0.00 3.42 0.23 -1.26 -5.15 115.26 112.35 3gqi n ASN 659 Ca 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 54.58 51.57 3gqi n ASN 659 Cb 0.00 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3gqi n ASN 659 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gqi n GLY 660 N 0.77 0.95 3.74 4.83 0.00 -1.26 -5.11 105.19 109.11 3gqi n GLY 660 Ca -0.11 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3gqi n GLY 660 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gqi n ARG 661 N -1.08 2.61 -3.74 1.61 -4.01 -1.26 -5.03 116.66 105.75 3gqi n ARG 661 Ca 0.00 0.93 -0.12 0.00 -1.04 0.00 0.00 57.85 57.61 3gqi n ARG 661 Cb 0.00 -2.69 -0.11 0.00 -3.04 0.00 0.00 32.46 26.62 3gqi n ARG 661 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3gqi s LEU 662 N -0.47 0.54 -1.18 2.89 1.43 -1.26 -5.07 118.68 115.56 3gqi s LEU 662 Ca 0.64 0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 54.28 3gqi s LEU 662 Cb -0.52 1.11 -0.06 0.00 0.03 0.00 0.00 46.19 46.75 3gqi s LEU 662 CO 0.49 -0.14 2.24 -0.81 0.23 0.00 0.00 176.35 178.37 3gqi n PRO 663 N 3.36 2.45 -0.33 1.29 -0.04 -1.26 -4.82 135.00 135.65 3gqi n PRO 663 Ca -0.17 -2.09 0.21 0.00 -0.04 0.00 0.00 63.50 61.41 3gqi n PRO 663 Cb 0.56 -2.94 0.43 0.00 -0.04 0.00 0.00 33.50 31.51 3gqi n PRO 663 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3gqi h VAL 664 N 3.87 0.30 0.00 0.52 -1.51 -1.97 -0.89 116.25 116.57 3gqi h VAL 664 Ca 0.56 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 3gqi h VAL 664 Cb 0.50 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 3gqi h VAL 664 CO 1.82 0.05 0.00 0.29 -1.23 0.00 0.00 177.57 178.50 3gqi n LYS 665 N -5.10 0.06 0.00 5.19 5.02 -1.26 -1.98 118.16 120.09 3gqi n LYS 665 Ca 0.29 0.43 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 3gqi n LYS 665 Cb 0.91 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 3gqi n LYS 665 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3gqi n TRP 666 N -1.79 0.00 -3.29 2.13 8.01 -0.35 -4.96 117.44 117.19 3gqi n TRP 666 Ca 0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.82 3gqi n TRP 666 Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.35 3gqi n TRP 666 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3gqi s MET 667 N -1.67 4.15 0.43 -0.99 -1.94 -0.84 -3.57 119.30 114.87 3gqi s MET 667 Ca 0.08 0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 54.52 3gqi s MET 667 Cb 0.09 -3.15 -0.09 0.00 2.01 0.00 0.00 34.83 33.69 3gqi s MET 667 CO 0.34 0.60 1.02 0.00 -0.01 0.00 0.00 175.02 176.96 3gqi s ALA 668 N -1.21 3.02 0.18 3.03 0.00 -1.26 -4.81 121.76 120.71 3gqi s ALA 668 Ca 0.31 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 3gqi s ALA 668 Cb -0.18 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3gqi s ALA 668 CO 0.19 -0.14 1.41 -2.30 0.00 0.00 0.00 175.76 174.91 3gqi n PRO 669 N -0.42 -0.31 -0.13 0.00 -0.02 -1.26 -0.61 135.00 132.25 3gqi n PRO 669 Ca 0.06 1.39 0.06 0.00 -2.02 0.00 0.00 63.50 62.99 3gqi n PRO 669 Cb 0.51 -2.05 0.37 0.00 -0.02 0.00 0.00 33.50 32.31 3gqi n PRO 669 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gqi h GLU 670 N 0.00 0.69 0.00 -0.52 3.07 -1.93 0.40 114.58 116.29 3gqi h GLU 670 Ca 0.23 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 3gqi h GLU 670 Cb 0.46 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3gqi h GLU 670 CO -0.88 0.45 -0.59 0.00 -1.40 0.00 0.00 179.01 176.60 3gqi h ALA 671 N 1.64 0.78 0.04 3.43 0.00 -0.77 -0.45 119.26 123.93 3gqi h ALA 671 Ca 0.26 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gqi h ALA 671 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gqi h ALA 671 CO -0.08 0.74 -0.02 1.25 0.00 0.00 0.00 179.25 181.14 3gqi h LEU 672 N 0.00 -0.05 0.10 0.00 5.85 0.10 -3.08 115.31 118.22 3gqi h LEU 672 Ca -0.01 -0.62 -0.33 0.00 0.84 0.00 0.00 57.88 57.76 3gqi h LEU 672 Cb 1.24 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3gqi h LEU 672 CO 0.08 0.67 -1.83 0.49 -0.34 0.00 0.00 178.44 177.51 3gqi n PHE 673 N -4.76 1.20 1.05 1.25 3.72 0.12 -4.44 117.46 115.59 3gqi n PHE 673 Ca -0.08 0.31 0.12 0.00 -0.05 0.00 0.00 57.45 57.75 3gqi n PHE 673 Cb 0.33 -1.15 0.14 0.00 -0.94 0.00 0.00 39.48 37.86 3gqi n PHE 673 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gqi n ASP 674 N -3.72 2.82 -2.59 4.37 8.00 -0.47 -4.97 116.55 120.00 3gqi n ASP 674 Ca -0.32 -1.93 -0.19 0.00 0.71 0.00 0.00 54.79 53.06 3gqi n ASP 674 Cb 0.96 0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 42.08 3gqi n ASP 674 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gqi n ARG 675 N 1.18 -2.53 -3.63 -1.24 1.74 -0.30 -4.92 116.66 106.97 3gqi n ARG 675 Ca 0.14 0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 57.68 3gqi n ARG 675 Cb 0.57 -5.53 -0.11 0.00 -1.02 0.00 0.00 32.46 26.37 3gqi n ARG 675 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gqi s ILE 676 N -2.94 4.89 -0.09 0.55 -1.09 -0.51 -2.48 121.20 119.52 3gqi s ILE 676 Ca 0.08 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3gqi s ILE 676 Cb -0.04 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3gqi s ILE 676 CO 0.10 0.15 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.57 3gqi s TYR 677 N 1.68 2.91 0.13 3.97 1.51 -1.26 -3.03 117.35 123.25 3gqi s TYR 677 Ca 0.06 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3gqi s TYR 677 Cb -0.16 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3gqi s TYR 677 CO 0.08 0.15 0.23 0.25 -1.11 0.00 0.00 175.55 175.15 3gqi n THR 678 N 2.71 0.00 0.23 -0.71 -2.24 -1.26 -4.78 114.28 108.23 3gqi n THR 678 Ca -0.18 -0.46 0.10 0.00 -2.27 0.00 0.00 64.05 61.25 3gqi n THR 678 Cb 0.53 0.36 0.55 0.00 -2.10 0.00 0.00 70.33 69.67 3gqi n THR 678 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3gqi h HIS 679 N 1.35 0.00 -0.52 4.78 3.86 -1.92 -2.17 115.15 120.53 3gqi h HIS 679 Ca -0.11 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 3gqi h HIS 679 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3gqi h HIS 679 CO 0.00 0.21 -0.06 1.96 0.86 0.00 0.00 177.93 180.90 3gqi h GLN 680 N 0.00 0.93 0.00 2.45 4.20 -1.94 -1.26 115.11 119.49 3gqi h GLN 680 Ca -0.00 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 3gqi h GLN 680 Cb 0.59 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3gqi h GLN 680 CO 0.03 0.96 -0.52 0.66 -0.67 0.00 0.00 178.83 179.28 3gqi h SER 681 N 0.84 0.00 -0.46 1.46 4.64 -1.75 -2.59 113.55 115.69 3gqi h SER 681 Ca 0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3gqi h SER 681 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3gqi h SER 681 CO 0.04 0.52 -0.08 0.44 -0.87 0.00 0.00 176.83 176.88 3gqi h ASP 682 N 0.00 0.86 -0.70 4.97 3.32 -1.18 -2.37 116.42 121.32 3gqi h ASP 682 Ca -0.01 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3gqi h ASP 682 Cb 1.15 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 3gqi h ASP 682 CO 0.07 1.01 0.46 0.58 -1.72 0.00 0.00 179.24 179.64 3gqi h VAL 683 N 0.71 1.06 0.15 -1.35 2.07 -1.05 0.69 116.25 118.53 3gqi h VAL 683 Ca 0.12 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3gqi h VAL 683 Cb 0.61 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3gqi h VAL 683 CO 0.04 0.14 -0.07 -0.25 0.02 0.00 0.00 177.57 177.45 3gqi h TRP 684 N 0.79 -0.19 -0.91 1.57 2.91 -1.05 -1.14 115.95 117.93 3gqi h TRP 684 Ca 0.29 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.45 3gqi h TRP 684 Cb 0.15 0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 28.79 3gqi h TRP 684 CO -0.00 -0.10 0.58 0.77 -1.03 0.00 0.00 178.44 178.66 3gqi h SER 685 N -0.23 0.68 0.32 2.65 0.02 -0.79 0.39 113.55 116.59 3gqi h SER 685 Ca -0.02 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3gqi h SER 685 Cb 0.18 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3gqi h SER 685 CO 0.03 0.34 -0.32 0.15 -1.14 0.00 0.00 176.83 175.90 3gqi h PHE 686 N 0.72 0.00 -0.42 3.45 3.57 -0.26 0.18 116.94 124.19 3gqi h PHE 686 Ca 0.46 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.91 3gqi h PHE 686 Cb 0.71 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3gqi h PHE 686 CO -0.00 0.32 0.07 0.78 -2.23 0.00 0.00 178.31 177.25 3gqi h GLY 687 N 0.96 0.74 1.00 2.40 0.00 0.98 -0.90 103.07 108.25 3gqi h GLY 687 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3gqi h GLY 687 CO 0.04 0.45 0.18 -2.08 0.00 0.00 0.00 176.54 175.14 3gqi h VAL 688 N 0.54 1.24 -0.69 4.60 2.07 -0.92 -2.34 116.25 120.76 3gqi h VAL 688 Ca 0.13 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.90 3gqi h VAL 688 Cb 0.37 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3gqi h VAL 688 CO 0.01 0.30 0.40 0.25 0.02 0.00 0.00 177.57 178.55 3gqi h LEU 689 N 0.80 0.61 -0.71 2.57 5.85 -0.35 -0.18 115.31 123.90 3gqi h LEU 689 Ca 0.18 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3gqi h LEU 689 Cb 0.28 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3gqi h LEU 689 CO -0.01 0.40 0.39 -0.07 -0.34 0.00 0.00 178.44 178.81 3gqi h LEU 690 N 0.74 0.57 -0.17 2.25 3.38 -0.75 0.94 115.31 122.27 3gqi h LEU 690 Ca 0.30 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3gqi h LEU 690 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gqi h LEU 690 CO -0.17 0.36 0.11 -0.25 0.09 0.00 0.00 178.44 178.58 3gqi h TRP 691 N 0.70 0.22 -0.63 1.13 7.01 -0.78 -0.96 115.95 122.64 3gqi h TRP 691 Ca 0.33 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.41 3gqi h TRP 691 Cb 0.24 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 3gqi h TRP 691 CO -0.08 0.17 0.28 0.93 -2.79 0.00 0.00 178.44 176.95 3gqi h GLU 692 N 0.21 0.48 0.30 2.65 5.08 -0.08 -2.14 114.58 121.07 3gqi h GLU 692 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gqi h GLU 692 Cb 0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3gqi h GLU 692 CO -0.01 0.31 -0.14 0.82 -1.00 0.00 0.00 179.01 178.99 3gqi h ILE 693 N 0.49 0.73 0.00 3.13 2.04 -0.39 0.12 117.51 123.63 3gqi h ILE 693 Ca 0.31 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3gqi h ILE 693 Cb 0.34 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3gqi h ILE 693 CO -0.27 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.40 3gqi n PHE 694 N -5.23 0.00 0.16 1.37 3.72 -0.41 -0.74 117.46 116.33 3gqi n PHE 694 Ca -0.10 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3gqi n PHE 694 Cb 0.21 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 3gqi n PHE 694 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gqi n THR 695 N -1.02 0.43 -3.67 4.37 -2.24 -0.84 -4.82 114.28 106.49 3gqi n THR 695 Ca 0.15 -0.71 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 3gqi n THR 695 Cb 0.07 0.90 0.04 0.00 -2.10 0.00 0.00 70.33 69.24 3gqi n THR 695 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gqi n LEU 696 N 0.44 -3.22 0.00 3.22 4.77 0.08 -3.51 117.00 118.78 3gqi n LEU 696 Ca 0.07 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3gqi n LEU 696 Cb 0.30 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 3gqi n LEU 696 CO 0.06 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3gqi n GLY 697 N -1.52 1.22 3.69 -0.72 0.00 0.00 -3.26 105.19 104.61 3gqi n GLY 697 Ca -0.27 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 3gqi n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqi s GLY 698 N -2.07 1.59 -0.16 -0.02 0.00 -1.23 -4.95 107.32 100.48 3gqi s GLY 698 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 3gqi s GLY 698 CO 0.00 0.04 0.04 -0.56 0.00 0.00 0.00 173.10 172.62 3gqi s SER 699 N -3.84 5.50 0.43 1.64 0.01 -1.26 -4.77 113.70 111.41 3gqi s SER 699 Ca 0.68 0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.76 3gqi s SER 699 Cb -0.14 -1.88 -0.09 0.00 0.21 0.00 0.00 66.02 64.12 3gqi s SER 699 CO 0.56 0.22 1.45 -2.84 0.41 0.00 0.00 173.24 173.04 3gqi s PRO 700 N 0.10 3.82 -0.98 12.44 0.02 -1.26 -3.17 135.00 145.97 3gqi s PRO 700 Ca 0.04 2.49 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 3gqi s PRO 700 Cb -0.12 -2.76 0.01 0.00 0.02 0.00 0.00 34.50 31.65 3gqi s PRO 700 CO 0.01 -0.73 0.66 0.66 -0.33 0.00 0.00 177.00 177.27 3gqi n TYR 701 N 0.02 -1.89 -1.83 6.54 4.02 -1.26 -4.82 117.16 117.94 3gqi n TYR 701 Ca 0.04 0.56 -0.42 0.00 -0.01 0.00 0.00 57.90 58.07 3gqi n TYR 701 Cb 0.41 -2.96 -0.03 0.00 -0.02 0.00 0.00 39.34 36.73 3gqi n TYR 701 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3gqi s PRO 702 N -5.72 4.17 0.00 -0.72 0.04 -1.19 -2.81 135.00 128.77 3gqi s PRO 702 Ca 0.22 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3gqi s PRO 702 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3gqi s PRO 702 CO 0.91 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3gqi n GLY 703 N 3.88 2.76 3.64 0.56 0.00 -1.26 -5.00 105.19 109.77 3gqi n GLY 703 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gqi n GLY 703 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqi s VAL 704 N -2.26 4.69 0.41 1.61 1.01 -1.12 -5.01 120.40 119.72 3gqi s VAL 704 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 3gqi s VAL 704 Cb 0.00 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3gqi s VAL 704 CO 0.00 -0.28 1.41 -2.84 0.00 0.00 0.00 175.10 173.39 3gqi s PRO 705 N 3.20 3.94 0.28 2.72 0.02 -1.26 -4.87 135.00 139.03 3gqi s PRO 705 Ca 0.39 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3gqi s PRO 705 Cb -0.14 -2.81 0.51 0.00 0.02 0.00 0.00 34.50 32.07 3gqi s PRO 705 CO 0.11 -0.61 1.86 0.28 -0.33 0.00 0.00 177.00 178.32 3gqi h VAL 706 N 2.61 0.99 0.00 3.83 2.07 -1.97 -1.59 116.25 122.19 3gqi h VAL 706 Ca -0.50 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3gqi h VAL 706 Cb 1.25 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gqi h VAL 706 CO 0.63 0.19 -0.04 -0.08 0.02 0.00 0.00 177.57 178.29 3gqi h GLU 707 N 1.06 0.00 0.00 1.57 4.57 -2.03 -0.72 114.58 119.03 3gqi h GLU 707 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 3gqi h GLU 707 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3gqi h GLU 707 CO -0.22 0.04 -0.96 -1.91 -1.18 0.00 0.00 179.01 174.78 3gqi n GLU 708 N -3.51 0.34 -0.30 1.92 2.13 -0.64 -3.98 120.64 116.59 3gqi n GLU 708 Ca -0.02 0.03 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3gqi n GLU 708 Cb 0.15 -1.64 0.07 0.00 0.27 0.00 0.00 31.44 30.30 3gqi n GLU 708 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3gqi h LEU 709 N 0.00 1.10 -0.40 4.31 6.46 -0.60 -0.65 115.31 125.53 3gqi h LEU 709 Ca 0.00 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.65 3gqi h LEU 709 Cb 0.77 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 3gqi h LEU 709 CO 0.00 0.94 0.17 -0.26 -0.62 0.00 0.00 178.44 178.67 3gqi h PHE 710 N 1.18 0.30 -0.40 1.25 0.04 -1.68 0.12 116.94 117.75 3gqi h PHE 710 Ca 0.28 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 3gqi h PHE 710 Cb 0.15 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3gqi h PHE 710 CO 0.02 0.14 0.11 -0.22 -0.60 0.00 0.00 178.31 177.76 3gqi h LYS 711 N 0.35 0.63 -0.57 1.51 3.64 -1.65 -2.04 116.57 118.43 3gqi h LYS 711 Ca 0.18 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gqi h LYS 711 Cb 0.13 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3gqi h LYS 711 CO -0.15 0.64 0.36 -0.07 -2.27 0.00 0.00 179.45 177.95 3gqi h LEU 712 N 0.50 0.67 -0.15 5.20 3.38 -0.52 -2.64 115.31 121.76 3gqi h LEU 712 Ca 0.13 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3gqi h LEU 712 Cb 0.28 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gqi h LEU 712 CO -0.00 0.51 -0.09 -0.07 0.09 0.00 0.00 178.44 178.88 3gqi h LEU 713 N 0.77 0.34 -2.22 1.67 3.38 -0.76 -0.76 115.31 117.72 3gqi h LEU 713 Ca 0.21 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3gqi h LEU 713 Cb -0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3gqi h LEU 713 CO -0.04 0.69 0.11 0.11 0.09 0.00 0.00 178.44 179.40 3gqi h LYS 714 N -0.02 0.00 -0.60 1.13 1.57 -1.27 0.02 116.57 117.40 3gqi h LYS 714 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gqi h LYS 714 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3gqi h LYS 714 CO 0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3gqi n GLU 715 N -2.76 2.99 -2.26 3.15 1.02 -1.00 -4.97 120.64 116.81 3gqi n GLU 715 Ca -0.02 -2.57 -0.03 0.00 -0.02 0.00 0.00 57.16 54.52 3gqi n GLU 715 Cb 0.16 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3gqi n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqi n GLY 716 N 1.17 0.47 3.76 0.62 0.00 -0.01 -5.04 105.19 106.16 3gqi n GLY 716 Ca 0.21 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 3gqi n GLY 716 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqi s HIS 717 N -2.46 3.65 0.21 1.61 5.04 -0.31 -5.03 115.29 118.00 3gqi s HIS 717 Ca 0.03 1.16 0.08 0.00 -1.54 0.00 0.00 55.06 54.79 3gqi s HIS 717 Cb -0.01 -2.61 -0.05 0.00 0.04 0.00 0.00 32.58 29.95 3gqi s HIS 717 CO 0.03 0.31 -0.16 1.03 -2.34 0.00 0.00 174.74 173.61 3gqi s ARG 718 N -0.02 1.37 0.82 2.88 3.00 -1.26 -4.60 118.95 121.14 3gqi s ARG 718 Ca 0.31 -1.59 -0.11 0.00 0.00 0.00 0.00 55.73 54.34 3gqi s ARG 718 Cb -0.18 -1.25 0.08 0.00 0.00 0.00 0.00 34.95 33.61 3gqi s ARG 718 CO 0.16 0.22 1.09 -1.64 0.00 0.00 0.00 175.30 175.13 3gqi s MET 719 N -3.48 1.87 0.62 3.54 -1.94 -1.26 -5.04 119.30 113.61 3gqi s MET 719 Ca 0.22 0.83 -0.02 0.00 -1.71 0.00 0.00 55.69 55.01 3gqi s MET 719 Cb -0.02 -1.88 0.05 0.00 2.01 0.00 0.00 34.83 34.99 3gqi s MET 719 CO 0.08 -1.82 0.88 0.34 -0.01 0.00 0.00 175.02 174.49 3gqi s ASP 720 N -3.62 5.04 0.06 3.03 2.15 -1.26 -5.03 116.67 117.04 3gqi s ASP 720 Ca 0.62 0.16 -0.31 0.00 0.43 0.00 0.00 52.55 53.45 3gqi s ASP 720 Cb -0.16 -0.93 -0.06 0.00 -0.30 0.00 0.00 42.92 41.47 3gqi s ASP 720 CO 0.56 -1.37 1.29 -0.75 -0.17 0.00 0.00 175.17 174.73 3gqi s LYS 721 N -4.98 4.36 0.14 4.34 2.20 -1.26 -4.97 119.74 119.57 3gqi s LYS 721 Ca 0.59 1.89 -0.31 0.00 -0.36 0.00 0.00 55.97 57.78 3gqi s LYS 721 Cb -0.10 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 3gqi s LYS 721 CO 0.41 -0.39 1.32 -2.14 -0.36 0.00 0.00 175.35 174.20 3gqi s PRO 722 N 1.41 4.37 0.61 4.03 0.02 -1.26 -4.96 135.00 139.22 3gqi s PRO 722 Ca 0.61 2.01 -0.18 0.00 0.02 0.00 0.00 61.00 63.46 3gqi s PRO 722 Cb -0.32 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 30.91 3gqi s PRO 722 CO 0.28 -0.33 0.91 -1.13 -0.33 0.00 0.00 177.00 176.40 3gqi n SER 723 N 3.45 0.51 -2.94 2.53 3.41 -1.26 -3.50 113.62 115.82 3gqi n SER 723 Ca 0.09 0.78 -0.04 0.00 -0.26 0.00 0.00 58.87 59.44 3gqi n SER 723 Cb 0.43 -1.36 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 3gqi n SER 723 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gqi n ASN 724 N -0.70 -6.89 -3.39 4.04 3.02 -1.26 -4.92 115.26 105.16 3gqi n ASN 724 Ca 0.14 -0.23 0.02 0.00 -0.03 0.00 0.00 54.58 54.48 3gqi n ASN 724 Cb 0.48 -4.81 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 3gqi n ASN 724 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqi n THR 726 N 5.21 0.00 0.12 0.00 -2.24 -1.26 -4.79 114.28 111.31 3gqi n THR 726 Ca -0.08 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 3gqi n THR 726 Cb 0.52 -0.41 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3gqi n THR 726 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3gqi h ASN 727 N -1.56 0.00 -0.37 3.42 2.35 -2.00 -2.93 115.58 114.49 3gqi h ASN 727 Ca -0.47 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.15 3gqi h ASN 727 Cb 1.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 3gqi h ASN 727 CO 0.32 0.68 -0.28 1.05 -1.65 0.00 0.00 177.43 177.56 3gqi h GLU 728 N 0.00 0.84 0.00 0.81 4.11 -1.98 0.23 114.58 118.59 3gqi h GLU 728 Ca -0.01 -0.41 -0.07 0.00 0.07 0.00 0.00 59.36 58.94 3gqi h GLU 728 Cb 1.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 3gqi h GLU 728 CO 0.09 1.05 -0.34 -0.07 0.07 0.00 0.00 179.01 179.81 3gqi h LEU 729 N 0.64 0.00 -0.20 3.06 3.38 -1.91 0.40 115.31 120.69 3gqi h LEU 729 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3gqi h LEU 729 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3gqi h LEU 729 CO 0.07 0.34 -0.93 0.22 0.09 0.00 0.00 178.44 178.22 3gqi h TYR 730 N 0.00 0.46 -0.13 1.13 3.20 -1.27 -2.49 116.97 117.87 3gqi h TYR 730 Ca -0.00 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 3gqi h TYR 730 Cb 0.64 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3gqi h TYR 730 CO 0.00 1.08 -0.36 0.52 -1.64 0.00 0.00 178.16 177.76 3gqi h MET 731 N 0.17 0.26 -0.78 1.82 2.86 0.66 -1.67 114.93 118.25 3gqi h MET 731 Ca -0.07 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 3gqi h MET 731 Cb 1.57 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 3gqi h MET 731 CO 0.15 0.59 0.34 1.98 1.06 0.00 0.00 176.91 181.03 3gqi h MET 732 N 0.22 1.15 -0.65 1.72 1.85 -0.11 -0.22 114.93 118.88 3gqi h MET 732 Ca 0.03 -0.19 -0.03 0.00 -0.61 0.00 0.00 59.70 58.89 3gqi h MET 732 Cb 0.75 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.55 3gqi h MET 732 CO 0.06 0.92 0.28 0.52 -0.40 0.00 0.00 176.91 178.28 3gqi h MET 733 N 1.12 0.96 -0.29 0.39 2.07 -0.92 -2.06 114.93 116.20 3gqi h MET 733 Ca 0.26 -0.16 -0.00 0.00 -2.07 0.00 0.00 59.70 57.72 3gqi h MET 733 Cb 0.18 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 3gqi h MET 733 CO -0.03 0.79 0.16 0.00 1.07 0.00 0.00 176.91 178.91 3gqi h ARG 734 N 0.91 0.40 -0.56 1.72 2.47 -0.71 -1.42 114.38 117.19 3gqi h ARG 734 Ca 0.22 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 3gqi h ARG 734 Cb 0.18 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.37 3gqi h ARG 734 CO -0.02 0.34 0.30 -0.44 0.56 0.00 0.00 179.97 180.70 3gqi h ASP 735 N 0.35 0.43 0.04 7.04 3.32 -0.87 -0.23 116.42 126.50 3gqi h ASP 735 Ca 0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3gqi h ASP 735 Cb 0.05 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gqi h ASP 735 CO -0.02 0.29 -0.03 0.00 -1.72 0.00 0.00 179.24 177.77 3gqi n TRP 737 N -4.33 0.92 -1.64 0.00 8.01 -0.17 -3.84 117.44 116.38 3gqi n TRP 737 Ca -0.03 -0.39 -0.44 0.00 -1.31 0.00 0.00 57.50 55.33 3gqi n TRP 737 Cb 0.11 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.31 29.27 3gqi n TRP 737 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3gqi n HIS 738 N 0.79 1.77 0.03 -5.99 -0.00 -0.42 -4.88 115.22 106.51 3gqi n HIS 738 Ca 0.17 0.62 -0.00 0.00 0.46 0.00 0.00 57.72 58.97 3gqi n HIS 738 Cb 0.58 -2.34 0.29 0.00 -0.12 0.00 0.00 29.99 28.40 3gqi n HIS 738 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gqi h ALA 739 N 2.50 1.33 -2.31 1.57 0.00 -1.90 -3.39 119.26 117.07 3gqi h ALA 739 Ca -0.43 -0.24 -0.63 0.00 0.00 0.00 0.00 54.91 53.61 3gqi h ALA 739 Cb 1.31 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3gqi h ALA 739 CO 0.63 0.45 0.15 0.08 0.00 0.00 0.00 179.25 180.56 3gqi s VAL 740 N -4.81 4.88 0.20 0.00 1.01 -1.26 -4.96 120.40 115.46 3gqi s VAL 740 Ca -0.07 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 3gqi s VAL 740 Cb 0.15 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.57 3gqi s VAL 740 CO 0.76 -0.34 1.74 -0.65 0.00 0.00 0.00 175.10 176.61 3gqi h PRO 741 N 8.49 0.35 0.00 2.72 0.11 -1.98 -1.29 132.00 140.41 3gqi h PRO 741 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gqi h PRO 741 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gqi h PRO 741 CO 0.84 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.73 3gqi n SER 742 N -5.02 0.56 0.08 -2.05 3.41 -1.26 -2.05 113.62 107.28 3gqi n SER 742 Ca 0.07 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 3gqi n SER 742 Cb 0.26 -0.81 0.04 0.00 -0.26 0.00 0.00 64.21 63.43 3gqi n SER 742 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3gqi n GLN 743 N -2.22 0.47 -1.86 4.33 -0.06 -0.49 -4.92 117.38 112.63 3gqi n GLN 743 Ca -0.01 0.08 -0.34 0.00 -2.00 0.00 0.00 57.00 54.74 3gqi n GLN 743 Cb 0.08 -1.74 0.04 0.00 -4.06 0.00 0.00 30.24 24.56 3gqi n GLN 743 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3gqi s ARG 744 N -3.29 2.88 0.75 3.69 0.52 -0.87 -4.99 118.95 117.64 3gqi s ARG 744 Ca 0.02 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.61 3gqi s ARG 744 Cb 0.11 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.68 3gqi s ARG 744 CO 0.78 -1.20 1.10 -1.25 0.02 0.00 0.00 175.30 174.74 3gqi s PRO 745 N -3.85 2.33 0.58 3.54 0.04 -1.26 -5.03 135.00 131.34 3gqi s PRO 745 Ca 0.69 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.99 3gqi s PRO 745 Cb -0.22 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.47 3gqi s PRO 745 CO 0.38 -1.59 0.80 0.95 0.04 0.00 0.00 177.00 177.58 3gqi s THR 746 N -2.77 2.52 0.42 1.26 -4.23 -1.26 -4.93 115.64 106.65 3gqi s THR 746 Ca 0.63 -0.73 0.20 0.00 -1.18 0.00 0.00 61.69 60.60 3gqi s THR 746 Cb -0.18 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.09 3gqi s THR 746 CO 0.53 0.00 2.00 -0.26 -0.54 0.00 0.00 174.62 176.35 3gqi h PHE 747 N 0.01 0.00 -0.61 3.99 0.04 -1.93 -1.77 116.94 116.68 3gqi h PHE 747 Ca -0.39 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.32 3gqi h PHE 747 Cb 1.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.41 3gqi h PHE 747 CO 0.24 0.18 0.14 -0.22 -0.60 0.00 0.00 178.31 178.06 3gqi h LYS 748 N 0.00 0.95 -0.27 1.51 3.64 -1.93 -0.08 116.57 120.39 3gqi h LYS 748 Ca -0.00 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 58.98 3gqi h LYS 748 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3gqi h LYS 748 CO 0.02 0.85 -0.56 1.96 -2.27 0.00 0.00 179.45 179.45 3gqi h GLN 749 N 0.91 0.83 -0.66 1.90 4.20 -1.80 -2.65 115.11 117.85 3gqi h GLN 749 Ca 0.19 -0.54 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 3gqi h GLN 749 Cb 0.33 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3gqi h GLN 749 CO 0.00 1.17 0.16 -0.07 -0.67 0.00 0.00 178.83 179.42 3gqi h LEU 750 N 0.63 1.00 -0.03 1.46 3.38 -0.95 -0.47 115.31 120.33 3gqi h LEU 750 Ca 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3gqi h LEU 750 Cb 1.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3gqi h LEU 750 CO 0.12 0.97 0.01 0.58 0.09 0.00 0.00 178.44 180.22 3gqi h VAL 751 N 0.98 1.12 -0.87 1.22 2.07 -1.03 -0.68 116.25 119.05 3gqi h VAL 751 Ca 0.21 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3gqi h VAL 751 Cb 0.36 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3gqi h VAL 751 CO 0.00 0.09 0.44 -0.33 0.02 0.00 0.00 177.57 177.79 3gqi h GLU 752 N -0.09 1.25 0.23 1.57 5.08 -1.37 0.85 114.58 122.10 3gqi h GLU 752 Ca 0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3gqi h GLU 752 Cb 0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3gqi h GLU 752 CO -0.00 0.94 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.40 3gqi h ASP 753 N 1.24 -0.26 -0.01 1.42 3.32 -1.03 -2.48 116.42 118.63 3gqi h ASP 753 Ca 0.30 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gqi h ASP 753 Cb 0.09 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gqi h ASP 753 CO -0.04 0.03 0.01 -0.07 -1.72 0.00 0.00 179.24 177.44 3gqi h LEU 754 N -0.57 0.00 -0.09 1.55 4.07 -0.86 -1.46 115.31 117.96 3gqi h LEU 754 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3gqi h LEU 754 Cb 0.42 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 3gqi h LEU 754 CO 0.05 0.00 0.00 -0.78 -1.08 0.00 0.00 178.44 176.63 3gqi h ASP 755 N 0.00 0.15 -0.60 -0.43 1.82 0.11 -1.53 116.42 115.94 3gqi h ASP 755 Ca 0.00 -0.31 -0.01 0.00 -0.39 0.00 0.00 57.03 56.33 3gqi h ASP 755 Cb 0.01 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 3gqi h ASP 755 CO -0.00 0.42 0.36 -0.09 -1.61 0.00 0.00 179.24 178.32 3gqi h ARG 756 N -0.13 0.82 -0.35 0.28 2.43 -0.87 -1.18 114.38 115.38 3gqi h ARG 756 Ca 0.02 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3gqi h ARG 756 Cb 0.34 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3gqi h ARG 756 CO 0.00 0.60 -0.10 0.82 -1.51 0.00 0.00 179.97 179.78 3gqi h ILE 757 N 0.81 1.24 -0.41 1.20 2.04 -1.29 -0.28 117.51 120.82 3gqi h ILE 757 Ca 0.21 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 3gqi h ILE 757 Cb -0.01 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3gqi h ILE 757 CO -0.04 0.35 -0.01 0.58 0.00 0.00 0.00 178.15 179.03 3gqi h VAL 758 N 0.56 1.26 -0.52 1.67 2.07 -0.76 0.41 116.25 120.95 3gqi h VAL 758 Ca 0.10 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3gqi h VAL 758 Cb 0.51 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3gqi h VAL 758 CO 0.03 0.35 0.26 0.00 0.02 0.00 0.00 177.57 178.23 3gqi h ALA 759 N 0.89 1.47 0.02 1.67 0.00 -0.81 -2.25 119.26 120.24 3gqi h ALA 759 Ca 0.12 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3gqi h ALA 759 Cb 0.50 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3gqi h ALA 759 CO 0.02 0.42 -1.45 1.25 0.00 0.00 0.00 179.25 179.50 3gqi h LEU 760 N 0.73 0.07 -0.06 0.00 6.46 -0.76 -3.37 115.31 118.38 3gqi h LEU 760 Ca 0.18 -0.12 -0.25 0.00 -0.12 0.00 0.00 57.88 57.58 3gqi h LEU 760 Cb 0.07 -0.02 0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3gqi h LEU 760 CO -0.03 1.10 -0.95 0.74 -0.62 0.00 0.00 178.44 178.68 3gqi h THR 761 N 0.01 1.28 -3.29 1.05 2.02 -0.06 -3.39 112.91 110.53 3gqi h THR 761 Ca -0.19 -2.15 -0.62 0.00 0.77 0.00 0.00 66.41 64.22 3gqi h THR 761 Cb 1.93 2.23 -0.13 0.00 -1.74 0.00 0.00 68.15 70.45 3gqi h THR 761 CO 0.11 0.67 0.46 -0.94 0.37 0.00 0.00 175.52 176.19 3gqi s SER 762 N -7.22 6.34 -0.95 4.18 1.04 -0.86 -4.82 113.70 111.41 3gqi s SER 762 Ca -0.10 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 3gqi s SER 762 Cb 0.08 -2.41 -0.10 0.00 0.10 0.00 0.00 66.02 63.69 3gqi s SER 762 CO 0.92 -1.12 2.07 -3.20 0.98 0.00 0.00 173.24 172.88 3gqi n ASN 763 N 7.14 3.60 -4.05 7.02 2.85 -1.26 -4.76 115.26 125.81 3gqi n ASN 763 Ca 0.01 -2.61 -0.32 0.00 -0.11 0.00 0.00 54.58 51.55 3gqi n ASN 763 Cb 0.47 -1.22 -0.15 0.00 1.24 0.00 0.00 39.78 40.13 3gqi n ASN 763 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3gqi s GLN 764 N 4.20 2.13 0.83 1.20 -1.52 -1.26 -5.19 119.66 120.05 3gqi s GLN 764 Ca 0.52 -1.28 -0.12 0.00 -1.95 0.00 0.00 55.36 52.53 3gqi s GLN 764 Cb 0.14 -2.83 0.09 0.00 -0.22 0.00 0.00 33.01 30.18 3gqi s GLN 764 CO 0.04 -0.57 1.17 -1.21 -0.25 0.00 0.00 175.29 174.46 3gqi s GLU 765 N 1.15 1.77 -0.19 2.91 2.02 -1.26 -5.03 118.70 120.08 3gqi s GLU 765 Ca -0.08 0.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.93 3gqi s GLU 765 Cb -0.20 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 3gqi s GLU 765 CO -0.05 -1.74 0.30 -0.51 0.02 0.00 0.00 175.26 173.28 3gqi s LEU 767 N -5.69 4.20 -0.41 1.80 1.43 -1.26 -5.30 118.68 113.45 3gqi s LEU 767 Ca 0.62 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 3gqi s LEU 767 Cb -0.12 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.76 3gqi s LEU 767 CO 0.50 0.05 0.37 -0.62 0.23 0.00 0.00 176.35 176.88 3gqi s ASP 768 N 0.72 6.15 -0.98 2.29 2.15 -1.26 -4.98 116.67 120.76 3gqi s ASP 768 Ca 0.16 -0.77 -0.02 0.00 0.43 0.00 0.00 52.55 52.35 3gqi s ASP 768 Cb -0.13 -2.19 0.30 0.00 -0.30 0.00 0.00 42.92 40.59 3gqi s ASP 768 CO 0.05 -0.51 1.99 0.18 -0.17 0.00 0.00 175.17 176.71 3gqi n LEU 769 N 5.38 7.44 0.00 -1.34 4.77 -1.26 -5.44 117.00 126.56 3gqi n LEU 769 Ca -0.09 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 3gqi n LEU 769 Cb 0.47 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3gqi n LEU 769 CO 0.43 1.95 0.00 -1.54 -1.33 0.00 0.00 177.39 176.91