#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxr h TYR 435 N 0.00 -0.01 -4.19 2.11 3.20 -2.07 -3.42 116.97 112.60 1gxr h TYR 435 Ca 0.00 0.01 -0.69 0.00 3.14 0.00 0.00 58.73 61.18 1gxr h TYR 435 Cb 0.00 0.01 -0.25 0.00 1.54 0.00 0.00 36.73 38.03 1gxr h TYR 435 CO 0.00 -0.01 -0.80 -0.06 -1.64 0.00 0.00 178.16 175.65 1gxr s PHE 436 N -6.19 2.60 0.04 -3.82 0.40 -1.26 -5.13 117.98 104.61 1gxr s PHE 436 Ca -0.13 -0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1gxr s PHE 436 Cb 0.07 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1gxr s PHE 436 CO 0.67 0.13 -0.15 -0.65 0.70 0.00 0.00 175.22 175.91 1gxr s GLN 437 N -0.72 2.17 0.55 0.44 -0.21 -1.26 -5.11 119.66 115.53 1gxr s GLN 437 Ca 0.11 -0.93 -0.20 0.00 0.02 0.00 0.00 55.36 54.37 1gxr s GLN 437 Cb -0.10 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.59 1gxr s GLN 437 CO 0.00 0.55 1.16 0.20 -2.12 0.00 0.00 175.29 175.09 1gxr s GLY 438 N -1.47 2.69 -0.09 3.09 0.00 -1.26 -5.04 107.32 105.24 1gxr s GLY 438 Ca 0.15 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1gxr s GLY 438 CO 0.06 1.29 0.18 0.00 0.00 0.00 0.00 173.10 174.63 1gxr s ALA 439 N -1.68 -0.26 0.30 3.20 0.00 -1.26 -5.14 121.76 116.93 1gxr s ALA 439 Ca 0.73 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1gxr s ALA 439 Cb -0.27 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 1gxr s ALA 439 CO 0.30 -0.54 1.10 1.41 0.00 0.00 0.00 175.76 178.04 1gxr s MET 440 N 2.20 4.53 0.42 0.00 1.75 -1.26 -5.05 119.30 121.89 1gxr s MET 440 Ca 0.01 1.78 0.03 0.00 -1.25 0.00 0.00 55.69 56.27 1gxr s MET 440 Cb -0.12 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.45 1gxr s MET 440 CO -0.06 0.12 0.07 0.20 -0.65 0.00 0.00 175.02 174.70 1gxr s GLY 441 N -0.97 2.60 0.05 2.11 0.00 -1.26 -5.17 107.32 104.68 1gxr s GLY 441 Ca 0.47 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 1gxr s GLY 441 CO 0.40 -1.94 0.15 -1.35 0.00 0.00 0.00 173.10 170.36 1gxr s SER 442 N -3.66 0.13 0.08 1.64 1.04 -1.26 -5.17 113.70 106.50 1gxr s SER 442 Ca 0.23 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1gxr s SER 442 Cb 0.04 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1gxr s SER 442 CO 0.12 -0.60 0.28 -0.54 0.98 0.00 0.00 173.24 173.48 1gxr s LYS 443 N -3.05 0.87 0.60 4.02 1.02 -1.26 -5.13 119.74 116.81 1gxr s LYS 443 Ca -0.01 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.07 1gxr s LYS 443 Cb 0.01 0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1gxr s LYS 443 CO -0.07 -0.29 1.30 -2.14 -0.92 0.00 0.00 175.35 173.23 1gxr s PRO 444 N -3.28 2.86 -0.21 -1.68 0.02 -1.26 -4.76 135.00 126.71 1gxr s PRO 444 Ca 0.00 2.08 -0.43 0.00 0.02 0.00 0.00 61.00 62.67 1gxr s PRO 444 Cb 0.02 -2.02 -0.20 0.00 0.02 0.00 0.00 34.50 32.32 1gxr s PRO 444 CO -0.08 -1.36 1.29 0.00 -0.33 0.00 0.00 177.00 176.52 1gxr n ALA 445 N -1.50 -2.70 0.00 -1.55 0.00 -1.26 -4.85 120.51 108.64 1gxr n ALA 445 Ca 0.13 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1gxr n ALA 445 Cb 0.47 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1gxr n ALA 445 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1gxr n TYR 446 N 2.54 0.00 -4.06 0.00 0.18 -1.26 -5.00 117.16 109.56 1gxr n TYR 446 Ca 0.25 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.68 1gxr n TYR 446 Cb 0.02 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.83 1gxr n TYR 446 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gxr s SER 447 N -0.66 3.85 0.09 9.48 0.15 -1.26 -0.14 113.70 125.21 1gxr s SER 447 Ca 0.00 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.24 1gxr s SER 447 Cb 0.00 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 1gxr s SER 447 CO 0.00 0.00 -0.18 -0.36 1.20 0.00 0.00 173.24 173.90 1gxr s PHE 448 N 1.32 1.57 -0.20 3.44 0.40 -0.26 -1.77 117.98 122.47 1gxr s PHE 448 Ca 0.04 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 1gxr s PHE 448 Cb -0.14 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1gxr s PHE 448 CO -0.06 0.14 0.03 -1.58 0.70 0.00 0.00 175.22 174.45 1gxr s HIS 449 N -1.17 3.09 -0.28 0.36 2.46 0.29 -0.76 115.29 119.29 1gxr s HIS 449 Ca 0.03 -0.31 -0.07 0.00 0.47 0.00 0.00 55.06 55.18 1gxr s HIS 449 Cb -0.10 -2.11 -0.01 0.00 -0.13 0.00 0.00 32.58 30.23 1gxr s HIS 449 CO 0.03 -0.16 0.08 0.08 -2.47 0.00 0.00 174.74 172.30 1gxr s VAL 450 N 0.96 4.11 1.08 0.89 1.01 0.28 -1.98 120.40 126.75 1gxr s VAL 450 Ca 0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1gxr s VAL 450 Cb -0.14 -3.03 0.24 0.00 0.00 0.00 0.00 36.38 33.44 1gxr s VAL 450 CO 0.02 0.19 1.19 0.42 0.00 0.00 0.00 175.10 176.92 1gxr s THR 451 N 1.55 1.80 0.19 3.92 -4.23 -0.97 -2.16 115.64 115.73 1gxr s THR 451 Ca 0.04 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 1gxr s THR 451 Cb -0.16 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1gxr s THR 451 CO 0.03 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.76 1gxr h ALA 452 N -2.11 0.41 -2.27 3.99 0.00 -1.92 -3.42 119.26 113.94 1gxr h ALA 452 Ca -0.46 0.20 -0.46 0.00 0.00 0.00 0.00 54.91 54.19 1gxr h ALA 452 Cb 1.28 0.37 0.07 0.00 0.00 0.00 0.00 17.79 19.51 1gxr h ALA 452 CO 0.39 -0.42 0.21 0.16 0.00 0.00 0.00 179.25 179.59 1gxr s ASP 453 N -5.23 4.95 -0.71 0.00 1.47 -1.26 -4.93 116.67 110.95 1gxr s ASP 453 Ca -0.14 0.47 -0.26 0.00 1.18 0.00 0.00 52.55 53.80 1gxr s ASP 453 Cb 0.17 -1.18 -0.07 0.00 -0.34 0.00 0.00 42.92 41.51 1gxr s ASP 453 CO 0.73 -1.50 2.15 -0.83 0.68 0.00 0.00 175.17 176.39 1gxr s GLY 454 N -4.48 -0.21 -0.29 2.12 0.00 -1.26 -4.83 107.32 98.36 1gxr s GLY 454 Ca 0.59 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1gxr s GLY 454 CO 0.44 3.81 0.58 1.62 0.00 0.00 0.00 173.10 179.55 1gxr s GLN 455 N 7.78 0.55 -0.12 2.90 2.00 -1.26 -5.04 119.66 126.47 1gxr s GLN 455 Ca 0.81 1.02 -0.05 0.00 -2.00 0.00 0.00 55.36 55.14 1gxr s GLN 455 Cb -0.12 0.50 -0.04 0.00 0.80 0.00 0.00 33.01 34.15 1gxr s GLN 455 CO 0.13 -0.57 0.08 -1.64 -0.50 0.00 0.00 175.29 172.79 1gxr s MET 456 N 2.83 3.37 -0.09 1.67 -1.94 -1.26 -2.30 119.30 121.57 1gxr s MET 456 Ca 0.17 -0.26 -0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1gxr s MET 456 Cb -0.15 -3.06 0.04 0.00 2.01 0.00 0.00 34.83 33.68 1gxr s MET 456 CO -0.20 0.67 0.22 -1.14 -0.01 0.00 0.00 175.02 174.56 1gxr s GLN 457 N -0.76 0.19 0.33 2.03 0.74 -0.84 -4.96 119.66 116.39 1gxr s GLN 457 Ca 0.13 0.46 -0.28 0.00 0.05 0.00 0.00 55.36 55.71 1gxr s GLN 457 Cb -0.12 -0.09 -0.13 0.00 1.10 0.00 0.00 33.01 33.78 1gxr s GLN 457 CO 0.03 -0.14 1.24 -0.35 -0.55 0.00 0.00 175.29 175.52 1gxr n PRO 458 N 4.00 1.98 -2.93 1.67 -0.04 -1.26 -0.55 135.00 137.86 1gxr n PRO 458 Ca -0.23 0.69 -0.40 0.00 -0.04 0.00 0.00 63.50 63.52 1gxr n PRO 458 Cb 0.54 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1gxr n PRO 458 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gxr s VAL 459 N -1.04 4.93 -0.60 0.52 1.01 -0.73 -4.78 120.40 119.72 1gxr s VAL 459 Ca 0.57 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.96 1gxr s VAL 459 Cb -0.60 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 31.69 1gxr s VAL 459 CO 0.61 0.25 1.02 -2.84 0.00 0.00 0.00 175.10 174.13 1gxr s PRO 460 N 0.69 3.29 0.10 2.72 0.02 -1.26 -5.00 135.00 135.56 1gxr s PRO 460 Ca 0.42 -0.32 -0.31 0.00 0.02 0.00 0.00 61.00 60.81 1gxr s PRO 460 Cb -0.19 -4.10 -0.09 0.00 0.02 0.00 0.00 34.50 30.14 1gxr s PRO 460 CO 0.22 -1.66 1.68 -0.06 -0.33 0.00 0.00 177.00 176.85 1gxr s PHE 461 N 4.30 2.46 0.92 6.54 2.99 -1.26 -5.00 117.98 128.94 1gxr s PHE 461 Ca 0.31 0.29 -0.11 0.00 0.00 0.00 0.00 56.93 57.42 1gxr s PHE 461 Cb -0.12 -4.01 0.15 0.00 0.00 0.00 0.00 43.02 39.04 1gxr s PHE 461 CO 0.17 -4.02 1.09 -2.14 -0.00 0.00 0.00 175.22 170.33 1gxr s PRO 462 N 2.43 1.00 0.53 0.24 0.02 -1.26 -4.88 135.00 133.08 1gxr s PRO 462 Ca 0.75 1.02 0.26 0.00 0.02 0.00 0.00 61.00 63.04 1gxr s PRO 462 Cb -0.42 -1.76 1.40 0.00 0.02 0.00 0.00 34.50 33.74 1gxr s PRO 462 CO 0.33 -2.47 1.99 -1.35 -0.33 0.00 0.00 177.00 175.17 1gxr h PRO 463 N -1.73 0.00 -0.70 5.54 0.11 -1.97 -1.42 132.00 131.85 1gxr h PRO 463 Ca -0.49 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 1gxr h PRO 463 Cb 1.28 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.22 1gxr h PRO 463 CO 0.51 0.00 0.30 -0.40 -0.21 0.00 0.00 178.00 178.20 1gxr n ASP 464 N -4.37 3.90 -0.03 -2.05 5.75 -1.26 -4.57 116.55 113.92 1gxr n ASP 464 Ca 0.10 -3.45 -0.16 0.00 -0.01 0.00 0.00 54.79 51.27 1gxr n ASP 464 Cb 0.63 -0.73 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 1gxr n ASP 464 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gxr h ALA 465 N 1.70 0.26 -0.02 2.12 0.00 -1.59 -3.36 119.26 118.38 1gxr h ALA 465 Ca 0.35 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gxr h ALA 465 Cb 2.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1gxr h ALA 465 CO 0.74 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.79 1gxr n LEU 466 N -4.10 1.71 -3.69 0.00 4.77 -1.26 -4.72 117.00 109.70 1gxr n LEU 466 Ca -0.08 -1.03 -0.14 0.00 -0.03 0.00 0.00 56.01 54.73 1gxr n LEU 466 Cb 0.66 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1gxr n LEU 466 CO 0.49 0.34 0.16 -0.51 -1.33 0.00 0.00 177.39 176.55 1gxr s ILE 467 N -0.69 0.02 0.00 -0.08 2.07 -1.26 -4.97 121.20 116.29 1gxr s ILE 467 Ca 0.10 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1gxr s ILE 467 Cb 0.07 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1gxr s ILE 467 CO 0.10 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1gxr n GLY 468 N 1.84 1.69 3.68 1.50 0.00 -1.26 -4.34 105.19 108.30 1gxr n GLY 468 Ca -0.18 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 1gxr n GLY 468 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gxr n PRO 469 N -1.54 2.60 -0.73 1.61 -0.02 -1.26 -1.25 135.00 134.42 1gxr n PRO 469 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1gxr n PRO 469 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 1gxr n PRO 469 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gxr n GLY 470 N 4.20 0.86 3.63 -1.23 0.00 -1.26 -5.02 105.19 106.37 1gxr n GLY 470 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1gxr n GLY 470 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gxr s ILE 471 N -3.45 5.34 0.56 -0.61 -1.09 -0.38 -4.91 121.20 116.67 1gxr s ILE 471 Ca 0.00 0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.39 1gxr s ILE 471 Cb 0.00 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1gxr s ILE 471 CO 0.00 0.31 1.23 -2.65 -1.23 0.00 0.00 174.94 172.60 1gxr n PRO 472 N 4.57 1.41 -0.07 2.79 -0.02 -1.26 -4.62 135.00 137.79 1gxr n PRO 472 Ca -0.15 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1gxr n PRO 472 Cb 0.52 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 1gxr n PRO 472 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gxr n ARG 473 N -1.02 0.68 -3.81 -0.52 1.74 0.82 -4.93 116.66 109.61 1gxr n ARG 473 Ca 0.12 0.15 0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1gxr n ARG 473 Cb 0.45 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1gxr n ARG 473 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1gxr s HIS 474 N -2.54 -0.00 -0.05 -1.55 -3.43 -1.13 -4.93 115.29 101.67 1gxr s HIS 474 Ca -0.15 -0.14 0.03 0.00 -0.80 0.00 0.00 55.06 54.00 1gxr s HIS 474 Cb 0.07 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.80 1gxr s HIS 474 CO 0.77 -0.34 -0.12 0.00 -2.00 0.00 0.00 174.74 173.05 1gxr s ALA 475 N -2.23 1.19 -0.13 -1.38 0.00 -1.26 -0.92 121.76 117.03 1gxr s ALA 475 Ca 0.22 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1gxr s ALA 475 Cb 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1gxr s ALA 475 CO -0.02 0.17 -0.08 0.50 0.00 0.00 0.00 175.76 176.33 1gxr s ARG 476 N 0.34 3.41 0.06 0.00 3.52 -0.05 -4.92 118.95 121.31 1gxr s ARG 476 Ca -0.08 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.62 1gxr s ARG 476 Cb -0.12 -2.74 -0.06 0.00 -1.56 0.00 0.00 34.95 30.46 1gxr s ARG 476 CO 0.02 0.30 1.26 -1.14 -0.81 0.00 0.00 175.30 174.93 1gxr s GLN 477 N 0.17 4.38 0.00 5.12 0.74 -1.26 -0.23 119.66 128.58 1gxr s GLN 477 Ca -0.04 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.22 1gxr s GLN 477 Cb -0.14 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.60 1gxr s GLN 477 CO 0.04 -0.35 0.00 0.44 -0.55 0.00 0.00 175.29 174.87 1gxr n ILE 478 N 4.07 0.00 -3.62 -2.34 -5.35 0.12 -4.91 119.36 107.32 1gxr n ILE 478 Ca 0.10 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.23 1gxr n ILE 478 Cb 0.45 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 38.99 1gxr n ILE 478 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1gxr s ASN 479 N -1.38 -0.41 -0.08 7.28 0.01 -1.13 -4.99 114.94 114.23 1gxr s ASN 479 Ca 0.00 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.44 1gxr s ASN 479 Cb 0.00 0.45 0.02 0.00 0.41 0.00 0.00 41.25 42.12 1gxr s ASN 479 CO 0.00 -0.60 -0.10 -0.89 -1.51 0.00 0.00 177.10 174.00 1gxr s THR 480 N -1.78 1.04 -0.42 1.60 2.01 -1.26 -0.83 115.64 116.00 1gxr s THR 480 Ca -0.09 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 1gxr s THR 480 Cb -0.02 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.56 1gxr s THR 480 CO 0.03 0.35 0.27 -0.76 -0.69 0.00 0.00 174.62 173.82 1gxr s LEU 481 N 1.14 5.16 -1.15 4.42 1.43 0.66 -4.96 118.68 125.39 1gxr s LEU 481 Ca -0.06 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.43 1gxr s LEU 481 Cb -0.14 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1gxr s LEU 481 CO -0.02 -0.53 2.06 0.59 0.23 0.00 0.00 176.35 178.68 1gxr n ASN 482 N 4.96 3.32 -0.27 2.29 5.03 -1.26 -1.63 115.26 127.69 1gxr n ASN 482 Ca -0.11 -2.77 -0.03 0.00 0.87 0.00 0.00 54.58 52.54 1gxr n ASN 482 Cb 0.43 -1.43 0.08 0.00 -1.02 0.00 0.00 39.78 37.84 1gxr n ASN 482 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1gxr h HIS 483 N 7.04 0.90 0.00 3.10 2.76 -1.90 -3.47 115.15 123.58 1gxr h HIS 483 Ca 0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1gxr h HIS 483 Cb 0.68 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1gxr h HIS 483 CO 1.36 0.53 0.00 0.41 -1.30 0.00 0.00 177.93 178.93 1gxr n GLY 484 N -1.30 0.66 3.11 5.26 0.00 -0.23 -5.02 105.19 107.67 1gxr n GLY 484 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1gxr n GLY 484 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gxr s GLU 485 N -0.76 0.68 0.22 1.61 0.41 -1.25 -4.93 118.70 114.67 1gxr s GLU 485 Ca 0.00 -1.24 -0.32 0.00 -0.41 0.00 0.00 54.97 53.00 1gxr s GLU 485 Cb 0.00 0.07 -0.13 0.00 -1.78 0.00 0.00 34.13 32.29 1gxr s GLU 485 CO 0.00 -0.08 1.61 0.28 -0.49 0.00 0.00 175.26 176.59 1gxr n VAL 486 N 0.11 0.35 -3.17 2.63 0.31 -1.26 -3.96 118.33 113.34 1gxr n VAL 486 Ca -0.14 -0.09 -0.45 0.00 -0.01 0.00 0.00 64.34 63.65 1gxr n VAL 486 Cb 0.61 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 1gxr n VAL 486 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1gxr s VAL 487 N 0.68 5.03 -1.03 2.52 1.01 -1.07 -4.37 120.40 123.17 1gxr s VAL 487 Ca 0.73 -1.41 0.27 0.00 0.00 0.00 0.00 61.98 61.56 1gxr s VAL 487 Cb -0.57 -4.49 0.14 0.00 0.00 0.00 0.00 36.38 31.46 1gxr s VAL 487 CO 0.40 -1.10 1.69 0.00 0.00 0.00 0.00 175.10 176.08 1gxr s ALA 489 N -2.98 -0.94 -0.05 0.00 0.00 -1.21 -4.63 121.76 111.94 1gxr s ALA 489 Ca 0.13 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1gxr s ALA 489 Cb 0.18 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1gxr s ALA 489 CO 0.61 -0.18 0.18 0.14 0.00 0.00 0.00 175.76 176.50 1gxr s VAL 490 N 0.17 0.02 0.02 0.00 -7.23 -1.26 -0.38 120.40 111.74 1gxr s VAL 490 Ca -0.00 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 1gxr s VAL 490 Cb -0.03 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.60 1gxr s VAL 490 CO 0.01 -0.08 0.08 -0.89 -0.31 0.00 0.00 175.10 173.91 1gxr s THR 491 N -0.21 0.11 0.01 5.32 2.01 -0.44 -4.51 115.64 117.94 1gxr s THR 491 Ca -0.03 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.16 1gxr s THR 491 Cb -0.03 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1gxr s THR 491 CO 0.01 -0.49 -0.25 -0.51 -0.69 0.00 0.00 174.62 172.68 1gxr s ILE 492 N -1.85 2.18 0.84 1.82 2.07 -1.26 -0.34 121.20 124.65 1gxr s ILE 492 Ca -0.12 -1.22 -0.12 0.00 -1.41 0.00 0.00 60.65 57.78 1gxr s ILE 492 Cb -0.06 -1.81 0.09 0.00 0.13 0.00 0.00 42.46 40.82 1gxr s ILE 492 CO -0.01 0.47 1.11 -0.94 -1.91 0.00 0.00 174.94 173.66 1gxr s SER 493 N -0.95 4.15 -0.15 4.50 1.04 -0.35 -4.96 113.70 116.99 1gxr s SER 493 Ca 0.11 1.22 -0.03 0.00 0.48 0.00 0.00 55.95 57.73 1gxr s SER 493 Cb -0.10 -1.91 0.05 0.00 0.10 0.00 0.00 66.02 64.16 1gxr s SER 493 CO 0.01 -2.17 0.04 0.21 0.98 0.00 0.00 173.24 172.30 1gxr s ASN 494 N -3.91 2.34 0.87 7.02 2.47 -1.26 -2.77 114.94 119.70 1gxr s ASN 494 Ca 0.62 -0.53 -0.11 0.00 0.42 0.00 0.00 52.86 53.26 1gxr s ASN 494 Cb -0.15 -0.45 0.12 0.00 -1.45 0.00 0.00 41.25 39.32 1gxr s ASN 494 CO 0.54 -0.28 1.15 -2.16 -3.72 0.00 0.00 177.10 172.63 1gxr s PRO 495 N 1.97 1.29 -0.14 0.43 0.04 -1.26 -4.79 135.00 132.54 1gxr s PRO 495 Ca 0.02 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1gxr s PRO 495 Cb -0.15 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1gxr s PRO 495 CO -0.07 -2.43 1.41 0.95 0.04 0.00 0.00 177.00 176.90 1gxr s THR 496 N -2.59 4.02 0.00 1.26 -4.23 -1.11 -4.53 115.64 108.45 1gxr s THR 496 Ca 0.67 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1gxr s THR 496 Cb -0.23 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1gxr s THR 496 CO 0.56 -0.14 0.00 -2.11 -0.54 0.00 0.00 174.62 172.39 1gxr n ARG 497 N 6.88 0.00 -4.73 3.99 1.85 -1.26 -4.93 116.66 118.46 1gxr n ARG 497 Ca 0.15 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.70 1gxr n ARG 497 Cb 0.44 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.71 1gxr n ARG 497 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1gxr s HIS 498 N -0.92 2.35 -0.04 2.89 3.76 -1.26 -0.47 115.29 121.60 1gxr s HIS 498 Ca 0.00 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1gxr s HIS 498 Cb 0.00 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.32 1gxr s HIS 498 CO 0.00 0.20 -0.24 0.08 -0.85 0.00 0.00 174.74 173.93 1gxr s VAL 499 N -0.89 1.92 -0.20 -0.90 1.01 0.10 -1.22 120.40 120.22 1gxr s VAL 499 Ca 0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1gxr s VAL 499 Cb -0.10 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1gxr s VAL 499 CO 0.04 0.54 0.01 -0.31 0.00 0.00 0.00 175.10 175.38 1gxr s TYR 500 N -0.32 3.06 -0.11 5.22 1.51 0.53 -0.73 117.35 126.52 1gxr s TYR 500 Ca 0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1gxr s TYR 500 Cb -0.12 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1gxr s TYR 500 CO 0.01 -0.20 -0.21 0.95 -1.11 0.00 0.00 175.55 174.99 1gxr s THR 501 N 0.96 2.27 -0.26 -0.71 -4.23 -0.23 -1.33 115.64 112.12 1gxr s THR 501 Ca 0.02 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.49 1gxr s THR 501 Cb -0.14 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1gxr s THR 501 CO 0.02 0.55 0.14 -0.83 -0.54 0.00 0.00 174.62 173.96 1gxr s GLY 502 N 0.41 1.89 0.00 3.99 0.00 0.49 -0.53 107.32 113.57 1gxr s GLY 502 Ca -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1gxr s GLY 502 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.33 1gxr n GLY 503 N 4.82 1.89 3.43 0.20 0.00 -0.58 -2.07 105.19 112.88 1gxr n GLY 503 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1gxr n GLY 503 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gxr s LYS 504 N 3.55 2.98 0.00 1.61 2.20 -1.26 -0.51 119.74 128.31 1gxr s LYS 504 Ca 0.00 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1gxr s LYS 504 Cb 0.00 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1gxr s LYS 504 CO 0.00 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1gxr n GLY 505 N 5.08 2.63 3.18 5.54 0.00 0.20 -4.80 105.19 117.03 1gxr n GLY 505 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1gxr n GLY 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s VAL 507 N -3.92 3.05 -0.01 0.00 1.01 -0.28 -1.53 120.40 118.72 1gxr s VAL 507 Ca 0.24 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1gxr s VAL 507 Cb 0.07 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1gxr s VAL 507 CO 0.02 0.51 0.13 -0.54 0.00 0.00 0.00 175.10 175.23 1gxr s LYS 508 N 0.49 3.24 -0.16 2.72 1.02 0.31 -0.17 119.74 127.20 1gxr s LYS 508 Ca -0.09 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1gxr s LYS 508 Cb -0.16 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1gxr s LYS 508 CO 0.04 0.67 -0.11 0.08 -0.92 0.00 0.00 175.35 175.11 1gxr s VAL 509 N -1.24 3.07 -0.08 3.17 1.01 -0.02 -1.07 120.40 125.24 1gxr s VAL 509 Ca 0.24 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1gxr s VAL 509 Cb -0.12 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1gxr s VAL 509 CO 0.15 0.50 -0.20 0.26 0.00 0.00 0.00 175.10 175.81 1gxr s TRP 510 N 0.75 2.59 -0.65 5.22 0.52 0.09 0.08 118.94 127.53 1gxr s TRP 510 Ca -0.05 -0.68 -0.20 0.00 0.02 0.00 0.00 56.10 55.20 1gxr s TRP 510 Cb -0.15 -1.68 0.10 0.00 -1.15 0.00 0.00 33.47 30.59 1gxr s TRP 510 CO 0.01 -0.19 0.82 0.34 0.02 0.00 0.00 176.95 177.96 1gxr s ASP 511 N -0.04 6.25 0.00 2.95 -1.08 -1.26 -0.73 116.67 122.75 1gxr s ASP 511 Ca -0.06 -1.42 0.25 0.00 -0.52 0.00 0.00 52.55 50.81 1gxr s ASP 511 Cb -0.15 -2.34 1.26 0.00 -1.46 0.00 0.00 42.92 40.24 1gxr s ASP 511 CO 0.05 -1.18 1.84 2.30 0.52 0.00 0.00 175.17 178.69 1gxr n ILE 512 N 5.59 0.04 1.26 4.11 -5.35 0.38 -3.01 119.36 122.37 1gxr n ILE 512 Ca -0.04 -0.13 0.14 0.00 -0.27 0.00 0.00 62.75 62.45 1gxr n ILE 512 Cb 0.44 -0.04 0.55 0.00 -1.74 0.00 0.00 39.64 38.86 1gxr n ILE 512 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1gxr n SER 513 N -0.41 0.38 -3.94 7.28 3.41 -1.21 -4.28 113.62 114.86 1gxr n SER 513 Ca 0.19 -0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.19 1gxr n SER 513 Cb 0.20 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1gxr n SER 513 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1gxr s HIS 514 N -2.67 3.30 0.34 7.33 3.76 -1.17 -4.99 115.29 121.20 1gxr s HIS 514 Ca 0.23 -3.22 0.15 0.00 -0.15 0.00 0.00 55.06 52.07 1gxr s HIS 514 Cb 0.19 -2.79 1.12 0.00 1.11 0.00 0.00 32.58 32.21 1gxr s HIS 514 CO 0.52 -0.68 1.64 -1.35 -0.85 0.00 0.00 174.74 174.02 1gxr h PRO 515 N 6.18 0.23 0.00 8.40 0.11 -1.83 -1.15 132.00 143.94 1gxr h PRO 515 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1gxr h PRO 515 Cb 0.85 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1gxr h PRO 515 CO 0.70 0.15 -0.00 0.78 -0.21 0.00 0.00 178.00 179.42 1gxr h GLY 516 N 0.24 0.00 -4.59 -0.55 0.00 -1.94 -3.45 103.07 92.78 1gxr h GLY 516 Ca 0.75 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.54 1gxr h GLY 516 CO -0.65 0.00 0.91 0.70 0.00 0.00 0.00 176.54 177.49 1gxr n ASN 517 N -3.09 3.73 -0.00 0.19 4.13 -0.44 -4.89 115.26 114.89 1gxr n ASN 517 Ca -0.01 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.35 1gxr n ASN 517 Cb 0.21 -1.55 -0.00 0.00 -1.54 0.00 0.00 39.78 36.90 1gxr n ASN 517 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1gxr n LYS 518 N 3.13 6.49 -4.37 3.52 2.85 -1.26 -5.05 118.16 123.48 1gxr n LYS 518 Ca 0.13 -0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.20 1gxr n LYS 518 Cb 0.34 -0.54 -0.10 0.00 -0.65 0.00 0.00 35.03 34.08 1gxr n LYS 518 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1gxr s SER 519 N -1.08 2.59 0.69 -5.58 1.04 -1.26 -4.71 113.70 105.40 1gxr s SER 519 Ca 0.00 -1.07 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 1gxr s SER 519 Cb 0.00 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1gxr s SER 519 CO 0.01 -0.23 1.14 -2.84 0.98 0.00 0.00 173.24 172.30 1gxr s PRO 520 N -3.67 2.53 0.10 4.02 0.02 -1.26 -4.78 135.00 131.95 1gxr s PRO 520 Ca 0.24 1.50 0.23 0.00 0.02 0.00 0.00 61.00 62.99 1gxr s PRO 520 Cb 0.01 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1gxr s PRO 520 CO 0.08 -1.48 0.98 1.33 -0.33 0.00 0.00 177.00 177.58 1gxr n VAL 521 N -2.60 0.31 -3.64 3.83 0.24 0.11 -4.95 118.33 111.63 1gxr n VAL 521 Ca 0.11 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1gxr n VAL 521 Cb 0.51 -0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 1gxr n VAL 521 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1gxr s SER 522 N -4.52 -0.27 -0.05 -1.34 0.01 -1.19 -5.01 113.70 101.33 1gxr s SER 522 Ca 0.01 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 1gxr s SER 522 Cb 0.13 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.84 1gxr s SER 522 CO 0.81 -0.77 0.07 -1.58 0.41 0.00 0.00 173.24 172.17 1gxr s GLN 523 N -3.18 -0.07 -0.39 12.44 0.74 -1.26 -0.84 119.66 127.10 1gxr s GLN 523 Ca -0.01 0.36 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 1gxr s GLN 523 Cb 0.01 -0.57 0.02 0.00 1.10 0.00 0.00 33.01 33.57 1gxr s GLN 523 CO -0.07 -0.35 0.26 -0.51 -0.55 0.00 0.00 175.29 174.07 1gxr s LEU 524 N 2.17 4.90 -0.41 3.68 1.43 0.76 -4.95 118.68 126.26 1gxr s LEU 524 Ca 0.05 -0.90 -0.27 0.00 -1.03 0.00 0.00 54.13 51.98 1gxr s LEU 524 Cb -0.12 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1gxr s LEU 524 CO -0.03 -0.41 1.00 -1.81 0.23 0.00 0.00 176.35 175.33 1gxr s ASP 525 N 1.63 6.65 -0.16 2.29 1.01 -1.26 -1.13 116.67 125.70 1gxr s ASP 525 Ca 0.04 0.48 0.01 0.00 0.71 0.00 0.00 52.55 53.79 1gxr s ASP 525 Cb -0.19 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 1gxr s ASP 525 CO 0.09 -1.01 -0.14 0.00 0.21 0.00 0.00 175.17 174.31 1gxr n LEU 527 N -2.99 0.00 -4.71 0.00 4.77 -0.73 -4.93 117.00 108.42 1gxr n LEU 527 Ca -0.28 -2.53 -0.42 0.00 -0.03 0.00 0.00 56.01 52.74 1gxr n LEU 527 Cb 0.79 0.95 -0.00 0.00 -2.33 0.00 0.00 43.42 42.83 1gxr n LEU 527 CO 0.15 -0.40 0.93 -3.20 -1.33 0.00 0.00 177.39 173.55 1gxr n ASN 528 N -1.70 2.90 0.15 -1.43 4.05 -1.26 -4.57 115.26 113.39 1gxr n ASN 528 Ca -0.02 1.20 0.08 0.00 0.45 0.00 0.00 54.58 56.29 1gxr n ASN 528 Cb 0.49 -1.51 0.43 0.00 1.23 0.00 0.00 39.78 40.43 1gxr n ASN 528 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1gxr n ARG 529 N 0.48 0.10 0.00 1.20 1.74 -1.26 -0.52 116.66 118.41 1gxr n ARG 529 Ca 0.04 0.58 0.11 0.00 -0.77 0.00 0.00 57.85 57.81 1gxr n ARG 529 Cb 0.37 -1.98 -0.12 0.00 -1.02 0.00 0.00 32.46 29.71 1gxr n ARG 529 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1gxr n ASP 530 N -2.08 0.43 -4.85 0.55 9.92 -1.26 -4.36 116.55 114.90 1gxr n ASP 530 Ca -0.01 -0.34 -0.37 0.00 -0.53 0.00 0.00 54.79 53.55 1gxr n ASP 530 Cb 0.16 1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 42.05 1gxr n ASP 530 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1gxr s ASN 531 N -3.98 6.76 0.14 -2.24 0.01 0.32 -4.90 114.94 111.05 1gxr s ASN 531 Ca -0.01 0.92 -0.13 0.00 -0.71 0.00 0.00 52.86 52.93 1gxr s ASN 531 Cb 0.15 -2.23 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 1gxr s ASN 531 CO 0.88 0.25 0.52 -0.31 -1.51 0.00 0.00 177.10 176.92 1gxr s TYR 532 N -1.24 3.59 0.15 2.20 2.02 -1.26 0.62 117.35 123.43 1gxr s TYR 532 Ca 0.29 0.99 -0.29 0.00 -0.37 0.00 0.00 57.07 57.69 1gxr s TYR 532 Cb -0.16 -2.32 -0.07 0.00 -0.40 0.00 0.00 41.96 39.02 1gxr s TYR 532 CO 0.16 0.43 0.92 0.42 -1.57 0.00 0.00 175.55 175.92 1gxr s ILE 533 N -1.48 4.36 -0.01 2.71 -1.09 0.34 -1.22 121.20 124.81 1gxr s ILE 533 Ca 0.38 2.02 0.06 0.00 -2.23 0.00 0.00 60.65 60.88 1gxr s ILE 533 Cb -0.14 -4.30 -0.10 0.00 -1.58 0.00 0.00 42.46 36.34 1gxr s ILE 533 CO 0.19 0.40 0.14 0.54 -1.23 0.00 0.00 174.94 174.98 1gxr n ARG 534 N 2.26 0.20 -3.62 2.79 5.12 -0.30 -4.40 116.66 118.72 1gxr n ARG 534 Ca -0.00 -0.06 -0.15 0.00 -1.93 0.00 0.00 57.85 55.71 1gxr n ARG 534 Cb 0.48 -1.15 -0.07 0.00 -1.16 0.00 0.00 32.46 30.56 1gxr n ARG 534 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1gxr s SER 535 N -2.75 -0.72 -0.10 0.55 0.15 -0.71 -4.57 113.70 105.56 1gxr s SER 535 Ca -0.02 1.30 -0.04 0.00 0.70 0.00 0.00 55.95 57.88 1gxr s SER 535 Cb 0.04 1.28 0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1gxr s SER 535 CO 0.27 -0.30 0.21 0.00 1.20 0.00 0.00 173.24 174.61 1gxr s LYS 537 N 1.66 1.22 0.04 0.00 1.02 -0.05 -4.69 119.74 118.94 1gxr s LYS 537 Ca -0.05 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.34 1gxr s LYS 537 Cb -0.11 -1.13 -0.06 0.00 -0.52 0.00 0.00 37.83 36.01 1gxr s LYS 537 CO -0.07 0.23 0.43 -0.51 -0.92 0.00 0.00 175.35 174.51 1gxr s LEU 538 N -0.09 4.43 0.62 3.17 1.43 -1.26 -0.61 118.68 126.36 1gxr s LEU 538 Ca 0.01 0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 53.90 1gxr s LEU 538 Cb -0.08 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1gxr s LEU 538 CO 0.00 0.26 1.10 -0.76 0.23 0.00 0.00 176.35 177.18 1gxr s LEU 539 N -1.40 3.49 0.40 1.79 2.01 -0.25 -4.89 118.68 119.83 1gxr s LEU 539 Ca 0.28 1.98 0.22 0.00 0.01 0.00 0.00 54.13 56.63 1gxr s LEU 539 Cb -0.16 -4.55 1.26 0.00 0.01 0.00 0.00 46.19 42.75 1gxr s LEU 539 CO 0.16 -1.41 1.66 -0.65 1.01 0.00 0.00 176.35 177.11 1gxr h PRO 540 N 0.39 0.20 0.00 1.29 0.11 -1.93 0.20 132.00 132.26 1gxr h PRO 540 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1gxr h PRO 540 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1gxr h PRO 540 CO 0.56 0.13 -0.26 0.38 -0.21 0.00 0.00 178.00 178.59 1gxr h ASP 541 N 0.20 0.00 0.00 -2.05 3.04 -1.96 -3.48 116.42 112.17 1gxr h ASP 541 Ca 0.76 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.55 1gxr h ASP 541 Cb 2.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.38 1gxr h ASP 541 CO -0.49 0.19 0.00 0.61 -2.04 0.00 0.00 179.24 177.51 1gxr n GLY 542 N 1.16 0.56 0.37 7.15 0.00 0.71 -4.95 105.19 110.20 1gxr n GLY 542 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1gxr n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s THR 544 N -1.85 0.04 -0.07 0.00 2.01 -1.26 -0.22 115.64 114.30 1gxr s THR 544 Ca 0.13 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1gxr s THR 544 Cb 0.13 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.40 1gxr s THR 544 CO 0.39 -0.19 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.74 1gxr s LEU 545 N -0.60 1.86 -0.16 4.42 2.96 -0.48 -1.10 118.68 125.59 1gxr s LEU 545 Ca -0.07 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1gxr s LEU 545 Cb -0.04 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1gxr s LEU 545 CO 0.00 0.11 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 1gxr s ILE 546 N 0.35 3.58 -0.10 6.68 1.01 0.22 -0.23 121.20 132.72 1gxr s ILE 546 Ca -0.12 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1gxr s ILE 546 Cb -0.15 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1gxr s ILE 546 CO 0.05 0.49 -0.23 -0.69 0.00 0.00 0.00 174.94 174.56 1gxr s VAL 547 N 0.51 1.96 0.11 2.92 1.01 0.23 -0.87 120.40 126.27 1gxr s VAL 547 Ca -0.05 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1gxr s VAL 547 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1gxr s VAL 547 CO 0.03 0.54 -0.12 -0.83 0.00 0.00 0.00 175.10 174.72 1gxr s GLY 548 N 0.36 0.95 0.00 4.51 0.00 -0.07 -1.41 107.32 111.66 1gxr s GLY 548 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1gxr s GLY 548 CO 0.08 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1gxr n GLY 549 N 0.50 1.65 2.88 0.20 0.00 -1.24 -1.15 105.19 108.03 1gxr n GLY 549 Ca -0.15 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1gxr n GLY 549 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gxr n GLU 550 N 0.00 1.97 -3.58 1.61 1.02 -0.36 -1.09 120.64 120.21 1gxr n GLU 550 Ca 0.00 -1.88 -0.07 0.00 -0.02 0.00 0.00 57.16 55.19 1gxr n GLU 550 Cb 0.00 -2.85 -0.02 0.00 -0.02 0.00 0.00 31.44 28.55 1gxr n GLU 550 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxr s ALA 551 N 4.18 -1.76 -2.23 0.62 0.00 -1.11 -4.74 121.76 116.72 1gxr s ALA 551 Ca 0.52 0.69 0.29 0.00 0.00 0.00 0.00 51.96 53.46 1gxr s ALA 551 Cb 0.13 0.51 1.46 0.00 0.00 0.00 0.00 23.12 25.23 1gxr s ALA 551 CO 0.04 -0.81 1.97 0.43 0.00 0.00 0.00 175.76 177.39 1gxr n SER 552 N -0.33 0.73 -4.35 0.00 7.64 -1.18 -3.86 113.62 112.28 1gxr n SER 552 Ca -0.08 -1.26 -0.31 0.00 1.01 0.00 0.00 58.87 58.22 1gxr n SER 552 Cb 0.62 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.66 1gxr n SER 552 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gxr s THR 553 N -1.99 2.29 -0.18 0.44 -4.23 -1.26 -0.26 115.64 110.44 1gxr s THR 553 Ca 0.42 -1.01 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1gxr s THR 553 Cb 0.21 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 1gxr s THR 553 CO 0.35 0.58 0.01 -0.76 -0.54 0.00 0.00 174.62 174.25 1gxr s LEU 554 N -0.60 3.38 -0.13 4.79 1.43 0.75 -4.62 118.68 123.68 1gxr s LEU 554 Ca 0.09 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1gxr s LEU 554 Cb -0.10 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1gxr s LEU 554 CO -0.00 0.12 0.17 -0.94 0.23 0.00 0.00 176.35 175.92 1gxr s SER 555 N 0.69 6.38 -0.26 2.29 1.04 -0.50 -0.29 113.70 123.05 1gxr s SER 555 Ca 0.00 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 1gxr s SER 555 Cb -0.14 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1gxr s SER 555 CO 0.02 0.33 0.02 -0.63 0.98 0.00 0.00 173.24 173.96 1gxr s ILE 556 N -0.59 3.66 -0.11 -1.02 1.01 0.01 -0.60 121.20 123.55 1gxr s ILE 556 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1gxr s ILE 556 Cb -0.12 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1gxr s ILE 556 CO 0.03 0.23 0.00 0.26 0.00 0.00 0.00 174.94 175.46 1gxr s TRP 557 N 1.48 3.15 -0.32 3.97 0.52 0.68 0.33 118.94 128.74 1gxr s TRP 557 Ca 0.04 0.08 -0.20 0.00 0.02 0.00 0.00 56.10 56.03 1gxr s TRP 557 Cb -0.16 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1gxr s TRP 557 CO -0.00 0.33 0.64 0.34 0.02 0.00 0.00 176.95 178.28 1gxr s ASP 558 N -0.47 6.48 -0.41 2.95 -1.08 0.42 -1.38 116.67 123.19 1gxr s ASP 558 Ca 0.08 0.35 0.04 0.00 -0.52 0.00 0.00 52.55 52.51 1gxr s ASP 558 Cb -0.12 -2.33 0.64 0.00 -1.46 0.00 0.00 42.92 39.65 1gxr s ASP 558 CO 0.02 -0.52 1.86 0.18 0.52 0.00 0.00 175.17 177.23 1gxr n LEU 559 N 5.95 6.48 -4.92 -1.34 4.77 0.70 -2.22 117.00 126.43 1gxr n LEU 559 Ca -0.01 -3.45 -0.29 0.00 -0.03 0.00 0.00 56.01 52.23 1gxr n LEU 559 Cb 0.49 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1gxr n LEU 559 CO 0.47 0.99 -0.02 0.00 -1.33 0.00 0.00 177.39 177.51 1gxr s ALA 560 N -3.09 3.86 -0.93 -1.18 0.00 -1.26 -4.89 121.76 114.27 1gxr s ALA 560 Ca 0.54 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 1gxr s ALA 560 Cb 0.45 -1.99 -0.20 0.00 0.00 0.00 0.00 23.12 21.38 1gxr s ALA 560 CO 0.11 0.60 2.13 0.00 0.00 0.00 0.00 175.76 178.59 1gxr n ALA 561 N -0.22 0.27 -2.73 0.00 0.00 -1.26 -4.91 120.51 111.66 1gxr n ALA 561 Ca -0.04 -1.87 -0.36 0.00 0.00 0.00 0.00 53.44 51.18 1gxr n ALA 561 Cb 0.53 -3.11 -0.08 0.00 0.00 0.00 0.00 19.45 16.79 1gxr n ALA 561 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1gxr s PRO 564 N 8.39 4.22 0.05 0.00 0.02 -1.26 -5.25 135.00 141.17 1gxr s PRO 564 Ca 0.81 -0.10 0.03 0.00 0.02 0.00 0.00 61.00 61.76 1gxr s PRO 564 Cb -0.09 -3.42 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 1gxr s PRO 564 CO 0.16 0.27 -0.09 -0.98 -0.33 0.00 0.00 177.00 176.03 1gxr s ARG 565 N 0.41 0.59 -0.22 5.54 1.70 -0.94 -4.96 118.95 121.08 1gxr s ARG 565 Ca 0.11 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.27 1gxr s ARG 565 Cb -0.12 -0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 33.87 1gxr s ARG 565 CO 0.00 0.06 1.75 -1.50 -1.08 0.00 0.00 175.30 174.54 1gxr s ILE 566 N -1.49 3.52 -0.04 4.99 1.10 -1.26 -0.43 121.20 127.58 1gxr s ILE 566 Ca -0.08 0.57 -0.13 0.00 -0.51 0.00 0.00 60.65 60.50 1gxr s ILE 566 Cb -0.09 -3.56 -0.31 0.00 0.15 0.00 0.00 42.46 38.65 1gxr s ILE 566 CO 0.00 -0.26 0.73 0.50 -2.11 0.00 0.00 174.94 173.80 1gxr h LYS 567 N 11.58 0.40 -2.29 3.50 3.64 -0.46 -3.47 116.57 129.48 1gxr h LYS 567 Ca -0.36 -0.68 0.19 0.00 -1.27 0.00 0.00 60.65 58.53 1gxr h LYS 567 Cb 1.17 0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1gxr h LYS 567 CO 1.00 1.33 0.54 0.00 -2.27 0.00 0.00 179.45 180.04 1gxr s ALA 568 N -2.56 -1.69 -0.00 5.00 0.00 -0.99 -5.02 121.76 116.50 1gxr s ALA 568 Ca -0.15 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1gxr s ALA 568 Cb 0.05 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 1gxr s ALA 568 CO 0.86 -1.05 -0.04 -1.21 0.00 0.00 0.00 175.76 174.31 1gxr s GLU 569 N -2.97 0.34 -0.30 0.00 2.02 -1.26 -0.81 118.70 115.72 1gxr s GLU 569 Ca 0.14 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.89 1gxr s GLU 569 Cb -0.01 -0.31 0.02 0.00 0.10 0.00 0.00 34.13 33.93 1gxr s GLU 569 CO 0.02 0.08 0.05 -0.51 0.02 0.00 0.00 175.26 174.93 1gxr s LEU 570 N -0.20 3.83 -0.29 1.80 1.43 0.60 -4.94 118.68 120.92 1gxr s LEU 570 Ca 0.01 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 1gxr s LEU 570 Cb -0.02 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1gxr s LEU 570 CO -0.00 -0.22 0.18 -0.89 0.23 0.00 0.00 176.35 175.65 1gxr s THR 571 N 1.43 5.04 0.41 5.49 2.01 -1.26 -0.18 115.64 128.58 1gxr s THR 571 Ca 0.01 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1gxr s THR 571 Cb -0.18 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1gxr s THR 571 CO 0.01 0.18 0.35 -0.94 -0.69 0.00 0.00 174.62 173.53 1gxr s SER 572 N 1.71 5.00 0.00 3.53 1.04 0.64 -5.01 113.70 120.60 1gxr s SER 572 Ca 0.06 -0.76 0.26 0.00 0.48 0.00 0.00 55.95 55.99 1gxr s SER 572 Cb -0.16 -0.59 0.59 0.00 0.10 0.00 0.00 66.02 65.95 1gxr s SER 572 CO 0.09 -0.62 1.46 -1.54 0.98 0.00 0.00 173.24 173.62 1gxr n SER 573 N -1.50 1.05 -4.76 7.02 3.41 -1.26 -4.79 113.62 112.79 1gxr n SER 573 Ca 0.03 -0.86 -0.39 0.00 -0.26 0.00 0.00 58.87 57.39 1gxr n SER 573 Cb 0.62 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 1gxr n SER 573 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gxr s ALA 574 N -2.60 3.33 0.41 7.33 0.00 -1.26 -4.96 121.76 124.00 1gxr s ALA 574 Ca 0.21 0.57 0.22 0.00 0.00 0.00 0.00 51.96 52.96 1gxr s ALA 574 Cb 0.19 -3.17 1.24 0.00 0.00 0.00 0.00 23.12 21.37 1gxr s ALA 574 CO 0.57 0.22 2.02 -1.00 0.00 0.00 0.00 175.76 177.56 1gxr h PRO 575 N 4.01 0.00 -3.23 0.00 0.13 -1.89 -3.37 132.00 127.65 1gxr h PRO 575 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1gxr h PRO 575 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1gxr h PRO 575 CO 0.67 0.17 0.03 0.00 -0.23 0.00 0.00 178.00 178.64 1gxr s ALA 576 N -4.29 -1.18 -0.11 -0.56 0.00 -1.25 -2.76 121.76 111.61 1gxr s ALA 576 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1gxr s ALA 576 Cb 0.14 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1gxr s ALA 576 CO 0.63 -0.68 -0.14 0.00 0.00 0.00 0.00 175.76 175.57 1gxr n TYR 578 N 3.32 0.00 -3.54 0.00 0.53 0.14 -3.72 117.16 113.89 1gxr n TYR 578 Ca -0.18 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.59 1gxr n TYR 578 Cb 0.53 -0.29 -0.04 0.00 -1.03 0.00 0.00 39.34 38.51 1gxr n TYR 578 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1gxr s ALA 579 N -2.94 -1.86 0.09 -0.72 0.00 -1.25 -4.66 121.76 110.43 1gxr s ALA 579 Ca -0.04 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1gxr s ALA 579 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1gxr s ALA 579 CO 0.63 -0.46 -0.10 -0.51 0.00 0.00 0.00 175.76 175.31 1gxr s LEU 580 N -1.65 2.37 -0.06 0.00 1.43 -1.26 -0.71 118.68 118.80 1gxr s LEU 580 Ca -0.01 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.27 1gxr s LEU 580 Cb -0.01 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1gxr s LEU 580 CO -0.01 -0.23 0.17 0.00 0.23 0.00 0.00 176.35 176.51 1gxr s ALA 581 N -2.17 -0.43 -0.09 4.21 0.00 -0.55 -4.91 121.76 117.81 1gxr s ALA 581 Ca 0.03 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1gxr s ALA 581 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1gxr s ALA 581 CO 0.00 -0.10 -0.07 0.42 0.00 0.00 0.00 175.76 176.01 1gxr s ILE 582 N -0.13 3.65 0.63 0.00 -1.09 -1.26 -0.17 121.20 122.83 1gxr s ILE 582 Ca -0.02 -0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 57.74 1gxr s ILE 582 Cb -0.02 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.32 1gxr s ILE 582 CO 0.00 0.57 1.19 -0.94 -1.23 0.00 0.00 174.94 174.53 1gxr s SER 583 N -0.41 4.97 0.42 3.58 1.04 -0.38 -4.90 113.70 118.02 1gxr s SER 583 Ca 0.06 2.33 0.17 0.00 0.48 0.00 0.00 55.95 58.98 1gxr s SER 583 Cb -0.12 -2.59 1.06 0.00 0.10 0.00 0.00 66.02 64.47 1gxr s SER 583 CO 0.02 -1.74 1.87 -0.65 0.98 0.00 0.00 173.24 173.72 1gxr h PRO 584 N 0.52 0.41 -0.15 4.02 0.11 -1.93 0.75 132.00 135.73 1gxr h PRO 584 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gxr h PRO 584 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1gxr h PRO 584 CO 0.54 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1gxr n ASP 585 N -4.51 1.35 -0.57 -2.05 5.68 -1.26 -4.92 116.55 110.27 1gxr n ASP 585 Ca 0.18 -1.70 -0.07 0.00 -0.50 0.00 0.00 54.79 52.70 1gxr n ASP 585 Cb 0.65 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 1gxr n ASP 585 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1gxr n SER 586 N 0.13 -5.38 0.05 -1.12 7.64 0.26 -4.85 113.62 110.34 1gxr n SER 586 Ca 0.15 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1gxr n SER 586 Cb 0.27 -3.54 -0.05 0.00 -1.01 0.00 0.00 64.21 59.88 1gxr n SER 586 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1gxr n LYS 587 N -0.80 0.54 -4.21 1.43 5.02 -1.26 -4.93 118.16 113.95 1gxr n LYS 587 Ca -0.07 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.02 1gxr n LYS 587 Cb 0.49 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 1gxr n LYS 587 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gxr s VAL 588 N -3.37 1.05 -0.09 -0.18 1.01 -1.26 -2.50 120.40 115.05 1gxr s VAL 588 Ca -0.02 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1gxr s VAL 588 Cb 0.12 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1gxr s VAL 588 CO 0.83 -0.18 -0.20 0.00 0.00 0.00 0.00 175.10 175.56 1gxr s PHE 590 N 0.49 3.41 -0.11 0.00 0.40 0.76 -0.54 117.98 122.40 1gxr s PHE 590 Ca -0.16 0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1gxr s PHE 590 Cb -0.17 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1gxr s PHE 590 CO 0.06 0.41 -0.17 0.45 0.70 0.00 0.00 175.22 176.67 1gxr s SER 591 N -0.14 2.59 -0.40 1.36 0.15 0.06 -1.49 113.70 115.83 1gxr s SER 591 Ca 0.09 -0.47 -0.26 0.00 0.70 0.00 0.00 55.95 56.02 1gxr s SER 591 Cb -0.12 -1.18 0.02 0.00 -1.71 0.00 0.00 66.02 63.04 1gxr s SER 591 CO 0.01 0.05 0.95 0.00 1.20 0.00 0.00 173.24 175.44 1gxr h SER 594 N 1.64 0.00 -0.08 0.00 4.64 -1.44 -1.04 113.55 117.28 1gxr h SER 594 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1gxr h SER 594 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1gxr h SER 594 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1gxr n ASP 595 N -2.63 1.69 0.00 4.97 5.68 -1.26 -2.92 116.55 122.08 1gxr n ASP 595 Ca -0.00 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1gxr n ASP 595 Cb 0.16 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1gxr n ASP 595 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gxr n GLY 596 N 1.18 3.10 3.81 6.12 0.00 -0.47 -4.55 105.19 114.37 1gxr n GLY 596 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1gxr n GLY 596 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gxr s ASN 597 N -1.13 6.10 -0.30 1.61 0.01 -1.26 -4.02 114.94 115.95 1gxr s ASN 597 Ca 0.00 1.81 -0.05 0.00 -0.71 0.00 0.00 52.86 53.91 1gxr s ASN 597 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1gxr s ASN 597 CO 0.00 -0.95 0.05 -0.63 -1.51 0.00 0.00 177.10 174.07 1gxr s ILE 598 N -2.33 3.65 0.07 0.60 -1.09 -0.52 -1.05 121.20 120.52 1gxr s ILE 598 Ca 0.64 -0.91 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 1gxr s ILE 598 Cb -0.15 -2.93 -0.06 0.00 -1.58 0.00 0.00 42.46 37.73 1gxr s ILE 598 CO 0.30 0.03 0.66 0.00 -1.23 0.00 0.00 174.94 174.70 1gxr s ALA 599 N 1.43 3.49 -0.31 9.38 0.00 -0.02 -0.52 121.76 135.21 1gxr s ALA 599 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1gxr s ALA 599 Cb -0.18 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1gxr s ALA 599 CO 0.01 0.25 0.02 0.08 0.00 0.00 0.00 175.76 176.12 1gxr s VAL 600 N -0.69 3.11 -0.17 0.00 1.01 -0.08 -0.76 120.40 122.83 1gxr s VAL 600 Ca 0.33 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1gxr s VAL 600 Cb -0.20 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1gxr s VAL 600 CO 0.21 -0.13 0.08 0.26 0.00 0.00 0.00 175.10 175.52 1gxr s TRP 601 N 1.27 3.32 -0.61 5.22 0.52 0.30 -1.16 118.94 127.79 1gxr s TRP 601 Ca -0.04 0.19 -0.22 0.00 0.02 0.00 0.00 56.10 56.05 1gxr s TRP 601 Cb -0.20 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.15 1gxr s TRP 601 CO -0.01 0.30 0.90 0.34 0.02 0.00 0.00 176.95 178.50 1gxr s ASP 602 N 0.02 6.22 0.42 2.95 3.68 0.26 -1.31 116.67 128.90 1gxr s ASP 602 Ca 0.07 -0.87 0.12 0.00 2.13 0.00 0.00 52.55 54.00 1gxr s ASP 602 Cb -0.12 -2.40 0.95 0.00 -1.45 0.00 0.00 42.92 39.91 1gxr s ASP 602 CO 0.01 -1.30 1.98 -0.07 0.13 0.00 0.00 175.17 175.91 1gxr h LEU 603 N 10.95 0.44 -0.15 -1.34 3.38 -1.79 0.08 115.31 126.88 1gxr h LEU 603 Ca -0.28 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1gxr h LEU 603 Cb 1.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1gxr h LEU 603 CO 1.13 0.27 0.00 -0.74 0.09 0.00 0.00 178.44 179.19 1gxr h HIS 604 N 0.50 -0.00 -0.17 1.13 2.76 -1.91 -3.20 115.15 114.25 1gxr h HIS 604 Ca 0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1gxr h HIS 604 Cb 0.45 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1gxr h HIS 604 CO -0.00 -0.02 0.00 0.27 -1.30 0.00 0.00 177.93 176.88 1gxr n ASN 605 N -5.12 3.26 -4.19 3.26 0.23 -1.13 -4.99 115.26 106.58 1gxr n ASN 605 Ca -0.04 -2.97 -0.30 0.00 -0.53 0.00 0.00 54.58 50.75 1gxr n ASN 605 Cb 0.08 -0.48 -0.07 0.00 -2.08 0.00 0.00 39.78 37.24 1gxr n ASN 605 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gxr n GLN 606 N -0.78 -1.87 -4.76 -3.83 3.00 -0.00 -4.95 117.38 104.19 1gxr n GLN 606 Ca 0.18 0.22 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 1gxr n GLN 606 Cb 0.77 -4.03 -0.14 0.00 0.00 0.00 0.00 30.24 26.83 1gxr n GLN 606 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1gxr s THR 607 N -4.14 1.85 -0.57 5.09 2.01 -1.10 -4.94 115.64 113.83 1gxr s THR 607 Ca 0.07 -1.26 -0.26 0.00 0.31 0.00 0.00 61.69 60.55 1gxr s THR 607 Cb -0.04 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.92 1gxr s THR 607 CO 0.96 0.28 1.05 -0.22 -0.69 0.00 0.00 174.62 175.99 1gxr s LEU 608 N -1.17 3.83 0.19 4.42 2.96 -1.26 -0.58 118.68 127.07 1gxr s LEU 608 Ca 0.09 -0.20 0.17 0.00 -0.22 0.00 0.00 54.13 53.98 1gxr s LEU 608 Cb -0.09 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 1gxr s LEU 608 CO 0.02 -1.35 1.14 -0.37 -1.32 0.00 0.00 176.35 174.47 1gxr h VAL 609 N 6.07 0.52 -3.09 1.68 -1.51 -1.51 -3.49 116.25 114.94 1gxr h VAL 609 Ca -0.26 -1.86 -0.02 0.00 -1.23 0.00 0.00 66.70 63.34 1gxr h VAL 609 Cb 1.07 2.10 -0.11 0.00 -2.13 0.00 0.00 31.29 32.21 1gxr h VAL 609 CO 1.13 0.30 0.15 -0.60 -1.23 0.00 0.00 177.57 177.33 1gxr s ARG 610 N -3.02 1.31 -0.11 5.19 3.52 -1.19 -5.03 118.95 119.60 1gxr s ARG 610 Ca 0.01 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1gxr s ARG 610 Cb 0.08 0.57 0.06 0.00 -1.56 0.00 0.00 34.95 34.10 1gxr s ARG 610 CO 0.77 -0.57 0.18 -1.14 -0.81 0.00 0.00 175.30 173.74 1gxr s GLN 611 N -3.78 0.08 -0.48 5.12 0.74 -1.26 -0.90 119.66 119.17 1gxr s GLN 611 Ca 0.03 0.50 -0.23 0.00 0.05 0.00 0.00 55.36 55.71 1gxr s GLN 611 Cb -0.01 -0.46 0.03 0.00 1.10 0.00 0.00 33.01 33.67 1gxr s GLN 611 CO -0.10 -0.38 0.83 -0.06 -0.55 0.00 0.00 175.29 175.03 1gxr s PHE 612 N 2.31 2.93 -0.13 1.67 2.99 0.33 -4.90 117.98 123.19 1gxr s PHE 612 Ca 0.03 0.09 -0.08 0.00 0.00 0.00 0.00 56.93 56.98 1gxr s PHE 612 Cb -0.13 -3.81 -0.04 0.00 0.00 0.00 0.00 43.02 39.04 1gxr s PHE 612 CO -0.07 -1.10 0.15 -0.65 -0.00 0.00 0.00 175.22 173.54 1gxr s GLN 613 N 3.48 3.60 0.00 0.44 -0.21 -1.26 -1.44 119.66 124.28 1gxr s GLN 613 Ca 0.30 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1gxr s GLN 613 Cb -0.12 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1gxr s GLN 613 CO 0.21 0.68 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 1gxr n GLY 614 N 2.26 -1.36 3.67 3.09 0.00 -1.26 -4.95 105.19 106.63 1gxr n GLY 614 Ca -0.19 0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.84 1gxr n GLY 614 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gxr n HIS 615 N 0.00 2.27 1.26 1.61 8.25 -1.26 -4.86 115.22 122.49 1gxr n HIS 615 Ca 0.00 0.26 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1gxr n HIS 615 Cb 0.00 -2.54 0.45 0.00 1.12 0.00 0.00 29.99 29.01 1gxr n HIS 615 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gxr n THR 616 N 3.46 0.00 -4.23 1.59 -2.24 -1.26 -4.50 114.28 107.10 1gxr n THR 616 Ca 0.17 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1gxr n THR 616 Cb 0.29 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1gxr n THR 616 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gxr s ASP 617 N -2.56 0.56 0.29 3.42 -1.08 -1.26 -4.92 116.67 111.12 1gxr s ASP 617 Ca 0.24 -1.46 -0.27 0.00 -0.52 0.00 0.00 52.55 50.54 1gxr s ASP 617 Cb 0.19 0.40 -0.14 0.00 -1.46 0.00 0.00 42.92 41.91 1gxr s ASP 617 CO 0.52 -0.87 0.84 0.61 0.52 0.00 0.00 175.17 176.79 1gxr n GLY 618 N -0.36 -0.76 3.68 2.66 0.00 -1.15 -3.49 105.19 105.77 1gxr n GLY 618 Ca 0.03 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1gxr n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s ALA 619 N -1.10 3.47 -0.14 4.61 0.00 -0.73 -0.95 121.76 126.92 1gxr s ALA 619 Ca 0.61 -0.04 0.19 0.00 0.00 0.00 0.00 51.96 52.71 1gxr s ALA 619 Cb -0.74 -3.05 -0.28 0.00 0.00 0.00 0.00 23.12 19.05 1gxr s ALA 619 CO 0.59 -0.44 0.46 -1.13 0.00 0.00 0.00 175.76 175.24 1gxr n SER 620 N 4.70 0.69 -3.73 0.00 3.41 -0.03 -4.42 113.62 114.24 1gxr n SER 620 Ca 0.01 -0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1gxr n SER 620 Cb 0.50 1.75 -0.03 0.00 -0.26 0.00 0.00 64.21 66.17 1gxr n SER 620 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gxr s ILE 622 N -3.87 0.00 0.14 0.00 2.07 -1.26 -1.82 121.20 116.46 1gxr s ILE 622 Ca 0.09 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.08 1gxr s ILE 622 Cb -0.02 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.64 1gxr s ILE 622 CO -0.02 0.00 0.78 -0.62 -1.91 0.00 0.00 174.94 173.17 1gxr s ASP 623 N -2.13 -0.36 -0.02 4.50 -1.08 -0.59 -4.89 116.67 112.10 1gxr s ASP 623 Ca -0.00 -0.22 0.05 0.00 -0.52 0.00 0.00 52.55 51.85 1gxr s ASP 623 Cb -0.01 0.55 -0.03 0.00 -1.46 0.00 0.00 42.92 41.97 1gxr s ASP 623 CO -0.05 -0.95 -0.15 -0.63 0.52 0.00 0.00 175.17 173.92 1gxr s ILE 624 N -3.52 3.04 0.95 4.11 1.01 -1.26 -1.05 121.20 124.48 1gxr s ILE 624 Ca 0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1gxr s ILE 624 Cb -0.02 -2.23 0.14 0.00 0.01 0.00 0.00 42.46 40.36 1gxr s ILE 624 CO -0.04 0.51 0.99 -1.54 0.00 0.00 0.00 174.94 174.86 1gxr n SER 625 N 2.04 -0.28 0.24 3.58 3.41 0.11 -4.79 113.62 117.92 1gxr n SER 625 Ca -0.17 0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.88 1gxr n SER 625 Cb 0.52 -1.41 0.61 0.00 -0.26 0.00 0.00 64.21 63.67 1gxr n SER 625 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gxr h ASN 626 N -1.92 0.00 0.49 4.04 -1.07 -1.85 -1.09 115.58 114.18 1gxr h ASN 626 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1gxr h ASN 626 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1gxr h ASN 626 CO 0.40 0.15 -0.16 -0.90 0.07 0.00 0.00 177.43 176.99 1gxr n ASP 627 N -4.06 0.41 -0.12 6.14 3.85 -1.26 -4.93 116.55 116.58 1gxr n ASP 627 Ca -0.02 -0.34 -0.02 0.00 -0.71 0.00 0.00 54.79 53.70 1gxr n ASP 627 Cb 0.23 -0.09 -0.01 0.00 -1.35 0.00 0.00 41.12 39.91 1gxr n ASP 627 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gxr n GLY 628 N 1.36 0.41 0.00 6.12 0.00 -0.41 -4.86 105.19 107.80 1gxr n GLY 628 Ca 0.12 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1gxr n GLY 628 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gxr n THR 629 N -2.57 0.00 -4.28 2.61 -2.24 -1.26 -4.92 114.28 101.62 1gxr n THR 629 Ca -0.02 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 1gxr n THR 629 Cb 0.24 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 1gxr n THR 629 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1gxr s LYS 630 N -3.07 1.11 0.02 -0.78 1.02 -1.26 -1.99 119.74 114.78 1gxr s LYS 630 Ca 0.04 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 54.93 1gxr s LYS 630 Cb 0.15 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 1gxr s LYS 630 CO 0.85 0.29 -0.24 -1.17 -0.92 0.00 0.00 175.35 174.17 1gxr s LEU 631 N -2.03 2.27 -0.06 3.17 2.96 -0.13 -0.71 118.68 124.15 1gxr s LEU 631 Ca 0.07 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1gxr s LEU 631 Cb -0.09 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1gxr s LEU 631 CO 0.04 0.29 -0.15 0.26 -1.32 0.00 0.00 176.35 175.47 1gxr s TRP 632 N -0.76 1.66 0.11 5.38 0.52 -0.22 0.44 118.94 126.06 1gxr s TRP 632 Ca 0.12 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 55.71 1gxr s TRP 632 Cb -0.10 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1gxr s TRP 632 CO 0.02 -0.25 -0.12 0.95 0.02 0.00 0.00 176.95 177.56 1gxr s THR 633 N 0.41 1.14 0.13 2.01 -4.23 0.26 -1.54 115.64 113.81 1gxr s THR 633 Ca -0.11 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 1gxr s THR 633 Cb -0.14 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1gxr s THR 633 CO 0.04 -0.50 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.56 1gxr s GLY 634 N -2.48 1.43 0.16 3.99 0.00 -0.75 -0.74 107.32 108.93 1gxr s GLY 634 Ca 0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 1gxr s GLY 634 CO 0.02 -1.39 0.08 -0.32 0.00 0.00 0.00 173.10 171.49 1gxr s GLY 635 N -2.11 1.19 0.00 0.20 0.00 -0.31 -0.85 107.32 105.44 1gxr s GLY 635 Ca 0.11 -1.57 0.16 0.00 0.00 0.00 0.00 44.72 43.43 1gxr s GLY 635 CO 0.06 -1.39 1.54 1.04 0.00 0.00 0.00 173.10 174.35 1gxr n LEU 636 N -0.17 0.00 -1.78 0.66 4.77 -0.13 -2.18 117.00 118.17 1gxr n LEU 636 Ca -0.02 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1gxr n LEU 636 Cb 0.65 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.12 1gxr n LEU 636 CO 0.32 0.00 0.84 -0.90 -1.33 0.00 0.00 177.39 176.32 1gxr n ASP 637 N -0.79 5.34 -1.61 -1.43 5.75 -1.26 -4.82 116.55 117.73 1gxr n ASP 637 Ca 0.12 -2.76 -0.16 0.00 -0.01 0.00 0.00 54.79 51.98 1gxr n ASP 637 Cb 0.06 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.46 1gxr n ASP 637 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gxr n ASN 638 N 0.77 -4.87 -4.27 -1.12 4.13 -1.03 -4.93 115.26 103.94 1gxr n ASN 638 Ca 0.27 0.15 -0.18 0.00 1.68 0.00 0.00 54.58 56.49 1gxr n ASN 638 Cb 1.09 -3.91 -0.11 0.00 -1.54 0.00 0.00 39.78 35.31 1gxr n ASN 638 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1gxr s THR 639 N -2.73 1.44 -0.09 3.41 -4.23 -1.25 -0.36 115.64 111.83 1gxr s THR 639 Ca 0.00 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1gxr s THR 639 Cb 0.00 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1gxr s THR 639 CO 0.00 -0.43 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.74 1gxr s VAL 640 N -2.25 1.90 0.02 2.29 1.01 -0.18 -1.16 120.40 122.04 1gxr s VAL 640 Ca 0.12 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1gxr s VAL 640 Cb -0.04 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1gxr s VAL 640 CO 0.04 0.53 -0.16 -0.13 0.00 0.00 0.00 175.10 175.37 1gxr s ARG 641 N 0.32 1.15 -0.01 2.72 0.52 0.08 -0.36 118.95 123.37 1gxr s ARG 641 Ca -0.16 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1gxr s ARG 641 Cb -0.17 -1.17 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 1gxr s ARG 641 CO 0.07 0.30 -0.03 -1.54 0.02 0.00 0.00 175.30 174.12 1gxr s SER 642 N -0.89 4.87 0.04 0.23 1.04 -0.90 -0.58 113.70 117.52 1gxr s SER 642 Ca 0.04 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1gxr s SER 642 Cb -0.07 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 1gxr s SER 642 CO 0.01 0.29 -0.13 0.26 0.98 0.00 0.00 173.24 174.65 1gxr s TRP 643 N -1.01 1.14 -0.27 5.02 0.52 0.17 -0.35 118.94 124.17 1gxr s TRP 643 Ca 0.17 -0.35 -0.20 0.00 0.02 0.00 0.00 56.10 55.75 1gxr s TRP 643 Cb -0.11 -0.68 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 1gxr s TRP 643 CO 0.08 0.02 0.60 0.34 0.02 0.00 0.00 176.95 178.01 1gxr s ASP 644 N -1.10 6.53 0.21 2.95 -1.08 -0.35 -0.96 116.67 122.88 1gxr s ASP 644 Ca 0.01 0.61 0.06 0.00 -0.52 0.00 0.00 52.55 52.71 1gxr s ASP 644 Cb -0.08 -2.32 0.15 0.00 -1.46 0.00 0.00 42.92 39.21 1gxr s ASP 644 CO 0.01 -0.37 1.49 -0.07 0.52 0.00 0.00 175.17 176.75 1gxr h LEU 645 N 8.94 0.16 -0.11 -1.34 3.38 -1.73 0.53 115.31 125.13 1gxr h LEU 645 Ca -0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gxr h LEU 645 Cb 1.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1gxr h LEU 645 CO 0.77 0.84 -0.01 -2.11 0.09 0.00 0.00 178.44 178.01 1gxr n ARG 646 N -3.73 0.87 0.00 1.13 1.85 -1.26 -4.08 116.66 111.43 1gxr n ARG 646 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1gxr n ARG 646 Cb 0.71 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 1gxr n ARG 646 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1gxr n GLU 647 N -0.97 0.00 -1.50 2.89 1.02 -1.20 -5.08 120.64 115.80 1gxr n GLU 647 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1gxr n GLU 647 Cb 0.18 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1gxr n GLU 647 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gxr n GLY 648 N 2.65 0.47 3.12 0.62 0.00 0.18 -5.06 105.19 107.18 1gxr n GLY 648 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1gxr n GLY 648 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gxr s ARG 649 N -2.78 0.55 0.14 1.61 1.70 -1.21 -4.97 118.95 113.99 1gxr s ARG 649 Ca 0.00 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 1gxr s ARG 649 Cb 0.00 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 1gxr s ARG 649 CO 0.00 -0.14 1.14 -1.14 -1.08 0.00 0.00 175.30 174.08 1gxr s GLN 650 N -1.91 4.52 -0.23 3.89 0.74 -1.26 -1.21 119.66 124.21 1gxr s GLN 650 Ca -0.11 1.75 -0.16 0.00 0.05 0.00 0.00 55.36 56.90 1gxr s GLN 650 Cb -0.05 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.67 1gxr s GLN 650 CO -0.01 -0.06 -0.34 1.28 -0.55 0.00 0.00 175.29 175.61 1gxr n LEU 651 N 2.93 1.94 -4.40 3.68 4.77 0.52 -4.92 117.00 121.52 1gxr n LEU 651 Ca 0.05 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.17 1gxr n LEU 651 Cb 0.46 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1gxr n LEU 651 CO 0.55 0.15 -0.38 -1.10 -1.33 0.00 0.00 177.39 175.27 1gxr s GLN 652 N -2.69 1.48 -0.18 3.23 -0.21 -1.22 -4.98 119.66 115.10 1gxr s GLN 652 Ca -0.33 -1.73 -0.07 0.00 0.02 0.00 0.00 55.36 53.24 1gxr s GLN 652 Cb 0.09 -1.12 0.08 0.00 1.00 0.00 0.00 33.01 33.06 1gxr s GLN 652 CO 0.46 0.07 0.39 -1.14 -2.12 0.00 0.00 175.29 172.95 1gxr s GLN 653 N -3.71 0.31 -0.19 2.91 0.74 -1.26 -2.11 119.66 116.35 1gxr s GLN 653 Ca 0.28 0.93 -0.03 0.00 0.05 0.00 0.00 55.36 56.59 1gxr s GLN 653 Cb 0.03 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 1gxr s GLN 653 CO 0.10 -0.23 -0.06 -1.01 -0.55 0.00 0.00 175.29 173.55 1gxr s HIS 654 N 2.29 2.95 -0.19 1.67 3.76 0.52 -4.96 115.29 121.33 1gxr s HIS 654 Ca -0.03 -0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 54.08 1gxr s HIS 654 Cb -0.11 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 1gxr s HIS 654 CO -0.12 -0.36 0.08 -0.51 -0.85 0.00 0.00 174.74 172.98 1gxr s ASP 655 N 1.00 5.78 0.42 1.40 1.01 -1.26 -1.01 116.67 124.01 1gxr s ASP 655 Ca 0.00 0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.45 1gxr s ASP 655 Cb -0.15 -2.00 -0.06 0.00 1.01 0.00 0.00 42.92 41.72 1gxr s ASP 655 CO 0.00 0.17 0.08 -0.36 0.21 0.00 0.00 175.17 175.28 1gxr s PHE 656 N 0.38 2.49 -1.01 4.23 0.40 0.52 -5.02 117.98 119.97 1gxr s PHE 656 Ca 0.04 -0.66 0.28 0.00 -0.60 0.00 0.00 56.93 55.99 1gxr s PHE 656 Cb -0.12 -1.84 1.07 0.00 0.51 0.00 0.00 43.02 42.64 1gxr s PHE 656 CO -0.00 0.31 1.81 0.25 0.70 0.00 0.00 175.22 178.29 1gxr n THR 657 N -1.11 0.00 -4.18 0.64 -2.24 -1.26 -4.84 114.28 101.28 1gxr n THR 657 Ca -0.04 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1gxr n THR 657 Cb 0.66 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1gxr n THR 657 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gxr s SER 658 N -2.99 0.31 0.56 3.42 1.04 -1.26 -5.05 113.70 109.72 1gxr s SER 658 Ca 0.14 -1.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.00 1gxr s SER 658 Cb 0.19 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1gxr s SER 658 CO 0.57 -0.91 1.13 -1.10 0.98 0.00 0.00 173.24 173.91 1gxr s GLN 659 N -4.04 3.28 -0.19 4.02 -0.21 -1.26 -4.39 119.66 116.87 1gxr s GLN 659 Ca 0.37 1.58 -0.09 0.00 0.02 0.00 0.00 55.36 57.25 1gxr s GLN 659 Cb 0.05 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 1gxr s GLN 659 CO 0.14 -0.90 0.10 0.42 -2.12 0.00 0.00 175.29 172.92 1gxr s ILE 660 N -1.85 5.16 -0.06 1.08 1.09 -0.93 -1.03 121.20 124.67 1gxr s ILE 660 Ca 0.72 0.10 0.07 0.00 -1.10 0.00 0.00 60.65 60.44 1gxr s ILE 660 Cb -0.23 -3.34 -0.11 0.00 -1.06 0.00 0.00 42.46 37.72 1gxr s ILE 660 CO 0.29 0.45 0.18 0.49 -0.10 0.00 0.00 174.94 176.25 1gxr n PHE 661 N 3.48 0.00 -3.54 3.97 0.99 -0.55 -4.25 117.46 117.55 1gxr n PHE 661 Ca -0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.16 1gxr n PHE 661 Cb 0.52 -0.14 -0.04 0.00 -1.00 0.00 0.00 39.48 38.82 1gxr n PHE 661 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1gxr s SER 662 N -2.64 -0.43 0.19 4.37 1.04 -1.12 -4.57 113.70 110.54 1gxr s SER 662 Ca -0.02 -0.01 -0.23 0.00 0.48 0.00 0.00 55.95 56.17 1gxr s SER 662 Cb 0.05 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1gxr s SER 662 CO 0.29 -0.84 0.72 -1.48 0.98 0.00 0.00 173.24 172.92 1gxr s LEU 663 N -2.45 -0.39 -0.20 2.42 0.05 -1.26 -0.01 118.68 116.84 1gxr s LEU 663 Ca -0.01 -0.28 -0.27 0.00 0.05 0.00 0.00 54.13 53.63 1gxr s LEU 663 Cb 0.00 2.54 0.07 0.00 -2.05 0.00 0.00 46.19 46.75 1gxr s LEU 663 CO -0.08 -1.07 0.72 -0.83 -0.55 0.00 0.00 176.35 174.54 1gxr s GLY 664 N -2.81 -0.54 -0.18 -3.48 0.00 -0.10 -4.75 107.32 95.48 1gxr s GLY 664 Ca 0.06 1.84 -0.08 0.00 0.00 0.00 0.00 44.72 46.54 1gxr s GLY 664 CO -0.03 1.51 0.11 -0.47 0.00 0.00 0.00 173.10 174.21 1gxr s TYR 665 N -0.12 3.39 0.09 1.90 5.04 -1.26 -0.83 117.35 125.57 1gxr s TYR 665 Ca -0.03 0.29 -0.31 0.00 -2.44 0.00 0.00 57.07 54.58 1gxr s TYR 665 Cb -0.03 -2.09 -0.09 0.00 0.35 0.00 0.00 41.96 40.11 1gxr s TYR 665 CO 0.03 0.34 1.60 0.00 -1.34 0.00 0.00 175.55 176.19 1gxr h PRO 667 N 7.80 0.17 -0.22 0.00 0.11 -1.86 0.16 132.00 138.17 1gxr h PRO 667 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1gxr h PRO 667 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1gxr h PRO 667 CO 0.92 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 179.07 1gxr n THR 668 N -4.40 0.28 -1.84 -1.15 -2.24 -1.26 -4.75 114.28 98.91 1gxr n THR 668 Ca 0.15 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1gxr n THR 668 Cb 0.69 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1gxr n THR 668 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gxr n GLY 669 N 1.23 -2.30 4.57 3.38 0.00 0.57 -4.97 105.19 107.68 1gxr n GLY 669 Ca 0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1gxr n GLY 669 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gxr n GLU 670 N -0.23 0.00 -4.80 1.61 1.02 -1.26 -4.70 120.64 112.28 1gxr n GLU 670 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1gxr n GLU 670 Cb 0.00 -1.16 -0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1gxr n GLU 670 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1gxr s TRP 671 N -0.01 1.75 -0.15 -0.32 0.52 -1.26 -0.73 118.94 118.73 1gxr s TRP 671 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1gxr s TRP 671 Cb 0.00 -1.09 0.03 0.00 -1.15 0.00 0.00 33.47 31.26 1gxr s TRP 671 CO 0.00 0.02 -0.12 -1.17 0.02 0.00 0.00 176.95 175.70 1gxr s LEU 672 N -0.78 1.71 -0.07 2.99 2.96 -0.49 -0.87 118.68 124.13 1gxr s LEU 672 Ca 0.07 -0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 1gxr s LEU 672 Cb -0.08 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1gxr s LEU 672 CO 0.00 -0.09 0.39 0.00 -1.32 0.00 0.00 176.35 175.34 1gxr s ALA 673 N 1.51 3.62 -0.08 5.97 0.00 -0.01 -0.33 121.76 132.44 1gxr s ALA 673 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1gxr s ALA 673 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.56 1gxr s ALA 673 CO -0.10 0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.88 1gxr s VAL 674 N -0.28 1.30 -0.24 0.00 1.01 0.17 -0.92 120.40 121.44 1gxr s VAL 674 Ca 0.22 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1gxr s VAL 674 Cb -0.15 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1gxr s VAL 674 CO 0.10 0.39 0.21 -0.83 0.00 0.00 0.00 175.10 174.97 1gxr s GLY 675 N 0.72 1.99 0.18 4.51 0.00 0.98 -0.77 107.32 114.92 1gxr s GLY 675 Ca -0.13 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.79 1gxr s GLY 675 CO 0.03 0.52 0.13 1.06 0.00 0.00 0.00 173.10 174.84 1gxr s MET 676 N 1.24 2.85 0.48 2.90 1.00 -0.57 -1.47 119.30 125.73 1gxr s MET 676 Ca 0.09 -0.92 0.25 0.00 0.00 0.00 0.00 55.69 55.12 1gxr s MET 676 Cb -0.14 -2.61 1.24 0.00 0.00 0.00 0.00 34.83 33.32 1gxr s MET 676 CO 0.06 0.47 1.99 1.49 0.00 0.00 0.00 175.02 179.03 1gxr h GLU 677 N 2.33 0.00 0.00 2.03 4.22 -1.38 -1.21 114.58 120.57 1gxr h GLU 677 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1gxr h GLU 677 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1gxr h GLU 677 CO 0.62 0.17 0.00 -1.13 -2.18 0.00 0.00 179.01 176.50 1gxr n SER 678 N -3.65 0.62 0.00 1.04 3.41 -1.26 -3.79 113.62 109.99 1gxr n SER 678 Ca -0.01 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1gxr n SER 678 Cb 0.30 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1gxr n SER 678 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gxr n SER 679 N -2.23 0.00 -4.86 4.04 3.41 -0.71 -4.87 113.62 108.41 1gxr n SER 679 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.31 1gxr n SER 679 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1gxr n SER 679 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1gxr s ASN 680 N -2.69 6.53 -0.12 4.04 0.02 -1.26 -4.18 114.94 117.28 1gxr s ASN 680 Ca 0.00 1.33 0.02 0.00 -1.02 0.00 0.00 52.86 53.19 1gxr s ASN 680 Cb 0.00 -2.41 -0.01 0.00 0.02 0.00 0.00 41.25 38.85 1gxr s ASN 680 CO 0.00 -0.52 -0.18 -0.69 0.02 0.00 0.00 177.10 175.72 1gxr s VAL 681 N -2.56 2.55 -0.15 1.60 1.01 -0.78 -1.52 120.40 120.56 1gxr s VAL 681 Ca 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1gxr s VAL 681 Cb -0.10 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1gxr s VAL 681 CO 0.34 0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 174.21 1gxr s GLU 682 N 0.41 3.24 -0.42 2.72 0.41 0.05 -0.59 118.70 124.51 1gxr s GLU 682 Ca -0.14 -0.74 -0.05 0.00 -0.41 0.00 0.00 54.97 53.63 1gxr s GLU 682 Cb -0.17 -2.61 0.11 0.00 -1.78 0.00 0.00 34.13 29.68 1gxr s GLU 682 CO 0.06 0.07 0.24 0.08 -0.49 0.00 0.00 175.26 175.22 1gxr s VAL 683 N 0.69 3.64 0.19 2.63 1.01 -0.20 0.46 120.40 128.82 1gxr s VAL 683 Ca -0.07 -1.88 -0.23 0.00 0.00 0.00 0.00 61.98 59.80 1gxr s VAL 683 Cb -0.16 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1gxr s VAL 683 CO 0.02 -0.67 0.75 -0.76 0.00 0.00 0.00 175.10 174.44 1gxr s LEU 684 N 1.24 4.49 -0.49 3.92 1.43 0.55 -1.22 118.68 128.59 1gxr s LEU 684 Ca 0.06 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 1gxr s LEU 684 Cb -0.24 -3.41 0.04 0.00 0.03 0.00 0.00 46.19 42.61 1gxr s LEU 684 CO -0.02 0.14 0.77 -2.28 0.23 0.00 0.00 176.35 175.18 1gxr s HIS 685 N -1.30 2.96 -0.15 0.29 5.65 -1.14 -1.40 115.29 120.20 1gxr s HIS 685 Ca 0.39 -0.09 -0.41 0.00 0.25 0.00 0.00 55.06 55.20 1gxr s HIS 685 Cb -0.20 -3.71 -0.18 0.00 -1.18 0.00 0.00 32.58 27.31 1gxr s HIS 685 CO 0.24 -1.09 1.41 0.28 -0.65 0.00 0.00 174.74 174.93 1gxr n VAL 686 N 5.99 0.07 0.00 0.89 0.31 0.09 -0.93 118.33 124.74 1gxr n VAL 686 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1gxr n VAL 686 Cb 0.47 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1gxr n VAL 686 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1gxr n ASN 687 N 3.18 0.00 -4.89 4.52 3.02 -1.26 -4.93 115.26 114.90 1gxr n ASN 687 Ca 0.23 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.49 1gxr n ASN 687 Cb 0.09 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1gxr n ASN 687 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gxr s LYS 688 N 0.00 3.71 0.04 3.52 1.02 -0.11 -5.05 119.74 122.88 1gxr s LYS 688 Ca 0.00 0.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.99 1gxr s LYS 688 Cb 0.00 -2.54 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1gxr s LYS 688 CO 0.00 0.12 1.35 -1.35 -0.92 0.00 0.00 175.35 174.55 1gxr h PRO 689 N 1.60 -0.75 -6.50 -1.68 0.11 -1.92 -3.39 132.00 119.48 1gxr h PRO 689 Ca -0.47 0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.13 1gxr h PRO 689 Cb 1.19 0.17 0.21 0.00 0.11 0.00 0.00 31.00 32.67 1gxr h PRO 689 CO 0.65 -0.50 -0.83 -0.40 -0.21 0.00 0.00 178.00 176.72 1gxr n ASP 690 N -4.25 -2.71 -3.73 -2.05 5.75 -1.26 -4.78 116.55 103.52 1gxr n ASP 690 Ca -0.10 0.43 -0.08 0.00 -0.01 0.00 0.00 54.79 55.04 1gxr n ASP 690 Cb 0.32 -1.08 -0.02 0.00 -1.03 0.00 0.00 41.12 39.30 1gxr n ASP 690 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1gxr s LYS 691 N -2.72 1.83 0.08 0.11 -2.85 -0.92 -2.86 119.74 112.41 1gxr s LYS 691 Ca 0.57 -1.10 0.10 0.00 -1.00 0.00 0.00 55.97 54.54 1gxr s LYS 691 Cb -0.28 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1gxr s LYS 691 CO 0.67 -0.83 -0.26 0.71 0.10 0.00 0.00 175.35 175.74 1gxr s TYR 692 N -3.69 2.34 -0.14 1.78 1.51 -0.35 -0.56 117.35 118.24 1gxr s TYR 692 Ca 0.13 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1gxr s TYR 692 Cb -0.05 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1gxr s TYR 692 CO 0.08 0.24 -0.17 -0.65 -1.11 0.00 0.00 175.55 173.93 1gxr s GLN 693 N -1.64 2.56 -0.11 -0.62 -0.21 0.06 -1.04 119.66 118.66 1gxr s GLN 693 Ca 0.13 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.83 1gxr s GLN 693 Cb -0.10 -2.18 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 1gxr s GLN 693 CO 0.04 -0.11 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.49 1gxr s LEU 694 N 1.10 2.90 -0.64 2.90 1.43 0.24 -1.10 118.68 125.52 1gxr s LEU 694 Ca -0.02 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1gxr s LEU 694 Cb -0.14 -1.65 0.18 0.00 0.03 0.00 0.00 46.19 44.60 1gxr s LEU 694 CO -0.05 0.22 0.49 1.41 0.23 0.00 0.00 176.35 178.65 1gxr n HIS 695 N 3.15 2.38 -1.44 0.29 8.25 0.81 -1.87 115.22 126.78 1gxr n HIS 695 Ca -0.18 -4.08 0.03 0.00 -0.26 0.00 0.00 57.72 53.23 1gxr n HIS 695 Cb 0.53 -0.44 0.04 0.00 1.12 0.00 0.00 29.99 31.24 1gxr n HIS 695 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1gxr n LEU 696 N 2.01 0.82 -4.30 2.41 4.77 -1.26 -4.79 117.00 116.65 1gxr n LEU 696 Ca 0.23 -1.53 -0.30 0.00 -0.03 0.00 0.00 56.01 54.39 1gxr n LEU 696 Cb 0.39 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.20 1gxr n LEU 696 CO 0.24 0.36 -0.56 -1.00 -1.33 0.00 0.00 177.39 175.11 1gxr s HIS 697 N -0.89 2.21 -1.72 -1.77 3.76 -1.26 -5.01 115.29 110.61 1gxr s HIS 697 Ca 0.09 -0.41 0.23 0.00 -0.15 0.00 0.00 55.06 54.82 1gxr s HIS 697 Cb 0.08 -1.39 0.08 0.00 1.11 0.00 0.00 32.58 32.46 1gxr s HIS 697 CO 0.01 0.01 1.14 0.39 -0.85 0.00 0.00 174.74 175.44 1gxr n GLU 698 N 2.25 0.83 -2.81 1.40 1.02 -1.26 -4.80 120.64 117.27 1gxr n GLU 698 Ca -0.16 -0.66 -0.08 0.00 -0.02 0.00 0.00 57.16 56.25 1gxr n GLU 698 Cb 0.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1gxr n GLU 698 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1gxr n SER 699 N -0.51 -0.49 -4.55 1.62 2.88 -1.26 -4.97 113.62 106.34 1gxr n SER 699 Ca 0.08 -1.91 -0.47 0.00 -1.33 0.00 0.00 58.87 55.24 1gxr n SER 699 Cb 0.41 0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 64.83 1gxr n SER 699 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gxr s VAL 701 N -0.70 4.71 0.06 0.00 1.01 -0.54 -1.13 120.40 123.80 1gxr s VAL 701 Ca 0.66 -0.77 0.12 0.00 0.00 0.00 0.00 61.98 61.99 1gxr s VAL 701 Cb -0.81 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.03 1gxr s VAL 701 CO 0.56 -1.17 1.47 -0.07 0.00 0.00 0.00 175.10 175.90 1gxr h LEU 702 N 10.27 0.00 -7.26 3.92 3.38 -1.39 -3.38 115.31 120.85 1gxr h LEU 702 Ca -0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1gxr h LEU 702 Cb 1.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 1gxr h LEU 702 CO 1.10 0.66 0.02 -0.55 0.09 0.00 0.00 178.44 179.77 1gxr s SER 703 N -6.59 -0.35 -0.03 -0.43 0.15 -1.19 -4.50 113.70 100.75 1gxr s SER 703 Ca 0.01 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 1gxr s SER 703 Cb 0.10 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.98 1gxr s SER 703 CO 0.76 -0.87 0.63 -1.48 1.20 0.00 0.00 173.24 173.49 1gxr s LEU 704 N -2.68 -0.48 -0.21 3.45 0.05 -1.26 -0.60 118.68 116.95 1gxr s LEU 704 Ca 0.01 0.58 -0.16 0.00 0.05 0.00 0.00 54.13 54.61 1gxr s LEU 704 Cb 0.01 2.40 0.06 0.00 -2.05 0.00 0.00 46.19 46.61 1gxr s LEU 704 CO -0.11 -0.62 0.54 -0.75 -0.55 0.00 0.00 176.35 174.86 1gxr s LYS 705 N -1.44 0.59 0.32 1.48 2.20 -0.27 -4.71 119.74 117.92 1gxr s LYS 705 Ca -0.10 0.85 -0.21 0.00 -0.36 0.00 0.00 55.97 56.15 1gxr s LYS 705 Cb -0.01 0.21 -0.10 0.00 -1.51 0.00 0.00 37.83 36.42 1gxr s LYS 705 CO 0.07 -0.11 0.85 -0.06 -0.36 0.00 0.00 175.35 175.74 1gxr s PHE 706 N 0.77 3.52 0.64 4.03 0.40 -1.26 -0.90 117.98 125.18 1gxr s PHE 706 Ca -0.04 1.52 -0.15 0.00 -0.60 0.00 0.00 56.93 57.66 1gxr s PHE 706 Cb -0.05 -2.75 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 1gxr s PHE 706 CO -0.06 0.14 1.10 0.00 0.70 0.00 0.00 175.22 177.10 1gxr s ALA 707 N -1.81 2.52 0.45 5.36 0.00 -0.36 -4.90 121.76 123.02 1gxr s ALA 707 Ca 0.52 0.55 0.22 0.00 0.00 0.00 0.00 51.96 53.25 1gxr s ALA 707 Cb -0.14 -3.31 1.32 0.00 0.00 0.00 0.00 23.12 20.99 1gxr s ALA 707 CO 0.19 -1.18 2.07 1.88 0.00 0.00 0.00 175.76 178.72 1gxr h TYR 708 N 0.17 0.00 0.00 0.00 -1.99 -1.87 0.05 116.97 113.32 1gxr h TYR 708 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1gxr h TYR 708 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1gxr h TYR 708 CO 0.55 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.84 1gxr n GLY 710 N 0.90 1.49 0.21 0.00 0.00 0.00 -4.73 105.19 103.05 1gxr n GLY 710 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1gxr n GLY 710 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxr h LYS 711 N 1.97 0.00 -3.30 1.61 1.57 -1.91 -3.43 116.57 113.08 1gxr h LYS 711 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1gxr h LYS 711 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1gxr h LYS 711 CO 0.00 0.00 0.07 1.67 -0.57 0.00 0.00 179.45 180.62 1gxr s TRP 712 N -3.47 0.06 0.24 -1.35 1.48 -1.26 -1.26 118.94 113.38 1gxr s TRP 712 Ca 0.03 -0.47 -0.14 0.00 -1.06 0.00 0.00 56.10 54.46 1gxr s TRP 712 Cb 0.09 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.87 1gxr s TRP 712 CO 0.50 -1.12 0.50 -0.59 -4.06 0.00 0.00 176.95 172.18 1gxr s PHE 713 N -3.96 0.27 0.15 1.66 -0.12 -0.17 -1.22 117.98 114.58 1gxr s PHE 713 Ca 0.16 -0.64 0.08 0.00 -0.05 0.00 0.00 56.93 56.48 1gxr s PHE 713 Cb -0.04 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1gxr s PHE 713 CO 0.08 -1.00 -0.18 0.14 -0.05 0.00 0.00 175.22 174.21 1gxr s VAL 714 N -3.99 1.71 0.07 -2.49 -7.23 -0.08 0.02 120.40 108.41 1gxr s VAL 714 Ca 0.20 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1gxr s VAL 714 Cb -0.01 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1gxr s VAL 714 CO 0.07 -0.29 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.53 1gxr s SER 715 N -2.49 1.31 0.09 4.85 1.04 -0.46 -1.12 113.70 116.92 1gxr s SER 715 Ca 0.13 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1gxr s SER 715 Cb -0.06 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1gxr s SER 715 CO 0.06 -0.17 -0.19 0.42 0.98 0.00 0.00 173.24 174.34 1gxr s THR 716 N -1.58 1.56 0.18 2.02 -4.23 0.23 -1.22 115.64 112.61 1gxr s THR 716 Ca -0.03 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1gxr s THR 716 Cb -0.08 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 1gxr s THR 716 CO 0.01 -0.06 0.02 -0.83 -0.54 0.00 0.00 174.62 173.22 1gxr s GLY 717 N -1.75 1.29 0.26 3.99 0.00 -0.52 -1.13 107.32 109.47 1gxr s GLY 717 Ca 0.05 -1.63 0.22 0.00 0.00 0.00 0.00 44.72 43.35 1gxr s GLY 717 CO 0.03 -1.53 1.66 1.17 0.00 0.00 0.00 173.10 174.43 1gxr n LYS 718 N -0.27 0.16 -0.20 2.90 4.81 -0.29 -1.66 118.16 123.62 1gxr n LYS 718 Ca -0.05 0.49 0.02 0.00 -0.87 0.00 0.00 58.31 57.90 1gxr n LYS 718 Cb 0.64 -1.87 0.10 0.00 0.02 0.00 0.00 35.03 33.92 1gxr n LYS 718 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1gxr n ASP 719 N -2.19 1.87 0.00 3.14 5.75 -1.26 -4.38 116.55 119.48 1gxr n ASP 719 Ca 0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1gxr n ASP 719 Cb 0.15 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1gxr n ASP 719 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gxr n ASN 720 N 0.14 -2.83 -4.84 -1.12 5.03 -0.89 -4.96 115.26 105.79 1gxr n ASN 720 Ca 0.07 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.17 1gxr n ASN 720 Cb 0.39 -1.30 -0.06 0.00 -1.02 0.00 0.00 39.78 37.79 1gxr n ASN 720 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1gxr s LEU 721 N 0.00 4.20 -0.25 3.41 1.43 -1.25 -0.32 118.68 125.90 1gxr s LEU 721 Ca 0.00 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1gxr s LEU 721 Cb 0.00 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1gxr s LEU 721 CO 0.00 0.35 -0.05 -0.22 0.23 0.00 0.00 176.35 176.66 1gxr s LEU 722 N -1.33 3.16 -0.08 1.79 2.96 -0.19 -1.44 118.68 123.54 1gxr s LEU 722 Ca 0.19 -0.79 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1gxr s LEU 722 Cb -0.12 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1gxr s LEU 722 CO 0.09 -0.11 -0.10 0.20 -1.32 0.00 0.00 176.35 175.10 1gxr s ASN 723 N 1.36 4.32 -0.14 3.68 0.01 -0.36 -0.92 114.94 122.89 1gxr s ASN 723 Ca 0.01 -0.16 -0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1gxr s ASN 723 Cb -0.16 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 1gxr s ASN 723 CO -0.04 0.29 -0.00 0.00 -1.51 0.00 0.00 177.10 175.84 1gxr s ALA 724 N -0.40 3.18 0.03 0.60 0.00 -0.07 -1.36 121.76 123.74 1gxr s ALA 724 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1gxr s ALA 724 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1gxr s ALA 724 CO 0.02 0.33 -0.19 -1.58 0.00 0.00 0.00 175.76 174.34 1gxr s TRP 725 N -0.04 1.67 0.27 0.00 0.52 0.10 -1.60 118.94 119.86 1gxr s TRP 725 Ca 0.03 -0.36 -0.28 0.00 0.02 0.00 0.00 56.10 55.52 1gxr s TRP 725 Cb -0.13 -1.01 -0.09 0.00 -1.15 0.00 0.00 33.47 31.09 1gxr s TRP 725 CO 0.02 0.06 0.92 0.50 0.02 0.00 0.00 176.95 178.47 1gxr s ARG 726 N -1.02 4.72 0.00 4.98 6.06 0.35 -1.00 118.95 133.05 1gxr s ARG 726 Ca 0.06 1.39 -0.19 0.00 -2.50 0.00 0.00 55.73 54.49 1gxr s ARG 726 Cb -0.08 -3.08 -0.06 0.00 0.06 0.00 0.00 34.95 31.79 1gxr s ARG 726 CO 0.01 0.43 0.55 0.99 -2.50 0.00 0.00 175.30 174.78 1gxr s THR 727 N -1.35 4.91 -0.62 4.11 2.01 -0.39 -0.20 115.64 124.10 1gxr s THR 727 Ca 0.44 1.16 0.16 0.00 0.31 0.00 0.00 61.69 63.76 1gxr s THR 727 Cb -0.23 -3.88 -0.18 0.00 0.01 0.00 0.00 72.50 68.21 1gxr s THR 727 CO 0.28 0.46 0.62 -0.81 -0.69 0.00 0.00 174.62 174.48 1gxr n PRO 728 N 2.45 1.58 0.00 4.92 -0.04 -1.26 -4.85 135.00 137.80 1gxr n PRO 728 Ca -0.09 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1gxr n PRO 728 Cb 0.51 -1.27 0.68 0.00 -0.04 0.00 0.00 33.50 33.38 1gxr n PRO 728 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1gxr n TYR 729 N -1.49 0.00 -2.90 0.54 0.18 -1.23 -4.85 117.16 107.41 1gxr n TYR 729 Ca 0.02 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.71 1gxr n TYR 729 Cb 0.28 -0.25 0.03 0.00 -0.38 0.00 0.00 39.34 39.02 1gxr n TYR 729 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1gxr n GLY 730 N 0.91 0.36 3.77 -7.48 0.00 0.72 -4.75 105.19 98.72 1gxr n GLY 730 Ca 0.13 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1gxr n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s ALA 731 N -3.12 3.39 -0.61 4.61 0.00 -1.25 -4.60 121.76 120.17 1gxr s ALA 731 Ca 0.21 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 1gxr s ALA 731 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1gxr s ALA 731 CO 0.28 -0.48 1.17 0.45 0.00 0.00 0.00 175.76 177.17 1gxr s SER 732 N -0.75 6.36 0.02 0.00 0.15 -1.26 -0.49 113.70 117.72 1gxr s SER 732 Ca 0.50 -0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 1gxr s SER 732 Cb -0.35 -2.53 -0.22 0.00 -1.71 0.00 0.00 66.02 61.20 1gxr s SER 732 CO 0.46 -1.52 1.14 0.40 1.20 0.00 0.00 173.24 174.92 1gxr h ILE 733 N 6.10 1.39 -2.54 6.45 2.04 -1.64 -3.48 117.51 125.83 1gxr h ILE 733 Ca -0.26 -2.06 0.07 0.00 1.00 0.00 0.00 64.86 63.61 1gxr h ILE 733 Cb 1.06 2.49 -0.13 0.00 -0.74 0.00 0.00 36.82 39.49 1gxr h ILE 733 CO 1.19 0.61 0.39 0.72 0.00 0.00 0.00 178.15 181.07 1gxr s PHE 734 N -3.31 -0.38 0.00 1.37 -0.12 -1.24 -4.86 117.98 109.44 1gxr s PHE 734 Ca -0.13 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 1gxr s PHE 734 Cb 0.04 0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1gxr s PHE 734 CO 0.84 -0.69 -0.01 -0.65 -0.05 0.00 0.00 175.22 174.66 1gxr s GLN 735 N -3.36 0.10 -0.10 1.99 -0.21 -1.26 -0.89 119.66 115.93 1gxr s GLN 735 Ca 0.05 -0.10 -0.00 0.00 0.02 0.00 0.00 55.36 55.33 1gxr s GLN 735 Cb -0.01 -0.05 0.02 0.00 1.00 0.00 0.00 33.01 33.97 1gxr s GLN 735 CO -0.09 0.01 -0.07 0.45 -2.12 0.00 0.00 175.29 173.47 1gxr s SER 736 N -0.18 2.00 -0.35 5.90 0.15 -0.09 -5.00 113.70 116.13 1gxr s SER 736 Ca -0.01 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 1gxr s SER 736 Cb -0.01 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1gxr s SER 736 CO -0.00 -0.10 0.43 -0.75 1.20 0.00 0.00 173.24 174.01 1gxr s LYS 737 N 1.56 3.57 0.69 5.44 2.47 -1.26 -1.03 119.74 131.18 1gxr s LYS 737 Ca 0.02 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.11 1gxr s LYS 737 Cb -0.13 -3.81 0.12 0.00 -1.46 0.00 0.00 37.83 32.55 1gxr s LYS 737 CO -0.06 -0.58 0.95 -1.21 0.16 0.00 0.00 175.35 174.61 1gxr s GLU 738 N 2.17 1.81 0.28 4.03 2.02 0.56 -5.02 118.70 124.57 1gxr s GLU 738 Ca 0.15 -1.19 0.26 0.00 0.02 0.00 0.00 54.97 54.20 1gxr s GLU 738 Cb -0.16 -2.39 0.75 0.00 0.10 0.00 0.00 34.13 32.43 1gxr s GLU 738 CO 0.12 -1.32 1.74 0.66 0.02 0.00 0.00 175.26 176.49 1gxr h SER 739 N -0.39 0.00 -2.30 -0.19 4.64 -1.98 -3.46 113.55 109.87 1gxr h SER 739 Ca -0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1gxr h SER 739 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1gxr h SER 739 CO 0.41 0.00 0.01 -0.24 -0.87 0.00 0.00 176.83 176.14 1gxr n SER 740 N -2.49 -0.75 -4.73 4.97 2.88 -1.26 -4.97 113.62 107.27 1gxr n SER 740 Ca 0.05 -1.76 -0.39 0.00 -1.33 0.00 0.00 58.87 55.44 1gxr n SER 740 Cb 0.42 1.32 0.04 0.00 -0.75 0.00 0.00 64.21 65.24 1gxr n SER 740 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1gxr n SER 741 N -1.63 2.52 -4.27 -3.46 7.64 -1.26 -3.95 113.62 109.21 1gxr n SER 741 Ca -0.01 0.97 -0.38 0.00 1.01 0.00 0.00 58.87 60.46 1gxr n SER 741 Cb 0.25 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 61.78 1gxr n SER 741 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gxr s VAL 742 N -1.30 3.79 -0.18 0.44 1.01 -0.67 -0.53 120.40 122.96 1gxr s VAL 742 Ca 0.71 -1.19 0.21 0.00 0.00 0.00 0.00 61.98 61.71 1gxr s VAL 742 Cb -0.42 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1gxr s VAL 742 CO 0.50 -0.22 0.87 0.18 0.00 0.00 0.00 175.10 176.42 1gxr n LEU 743 N 4.81 0.66 -3.71 3.92 7.99 -0.05 -3.66 117.00 126.95 1gxr n LEU 743 Ca -0.12 0.26 -0.10 0.00 -0.01 0.00 0.00 56.01 56.04 1gxr n LEU 743 Cb 0.44 -0.02 -0.04 0.00 -0.11 0.00 0.00 43.42 43.70 1gxr n LEU 743 CO 0.32 -0.09 0.22 -0.94 -1.51 0.00 0.00 177.39 175.39 1gxr s SER 744 N -5.25 -0.24 0.23 -1.43 1.04 -1.21 -4.47 113.70 102.38 1gxr s SER 744 Ca -0.03 -0.44 -0.22 0.00 0.48 0.00 0.00 55.95 55.74 1gxr s SER 744 Cb 0.10 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1gxr s SER 744 CO 0.82 -0.97 0.69 0.00 0.98 0.00 0.00 173.24 174.76 1gxr s ASP 746 N -2.85 -0.52 0.02 0.00 2.15 -0.61 -4.74 116.67 110.11 1gxr s ASP 746 Ca 0.07 0.07 0.05 0.00 0.43 0.00 0.00 52.55 53.17 1gxr s ASP 746 Cb -0.04 0.56 -0.02 0.00 -0.30 0.00 0.00 42.92 43.12 1gxr s ASP 746 CO -0.00 -0.88 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.34 1gxr s ILE 747 N -3.27 1.17 0.79 4.11 1.01 -1.26 -1.40 121.20 122.35 1gxr s ILE 747 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1gxr s ILE 747 Cb -0.00 -1.02 0.07 0.00 0.01 0.00 0.00 42.46 41.52 1gxr s ILE 747 CO -0.09 0.17 1.09 -0.94 0.00 0.00 0.00 174.94 175.18 1gxr s SER 748 N -0.76 4.34 0.65 3.58 1.04 -0.13 -4.90 113.70 117.52 1gxr s SER 748 Ca 0.04 1.77 0.41 0.00 0.48 0.00 0.00 55.95 58.65 1gxr s SER 748 Cb -0.07 -2.47 2.27 0.00 0.10 0.00 0.00 66.02 65.86 1gxr s SER 748 CO 0.00 -2.13 2.33 -0.37 0.98 0.00 0.00 173.24 174.05 1gxr h VAL 749 N -1.20 0.12 -0.56 5.02 -1.51 -1.92 -0.73 116.25 115.47 1gxr h VAL 749 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1gxr h VAL 749 Cb 1.24 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1gxr h VAL 749 CO 0.52 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.96 1gxr n ASP 750 N -3.25 3.68 -2.22 4.19 5.75 -1.26 -4.80 116.55 118.64 1gxr n ASP 750 Ca -0.03 -2.10 -0.20 0.00 -0.01 0.00 0.00 54.79 52.46 1gxr n ASP 750 Cb 0.09 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1gxr n ASP 750 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1gxr n ASP 751 N 1.07 -5.51 0.01 -1.12 8.00 -0.28 -4.87 116.55 113.84 1gxr n ASP 751 Ca 0.20 0.12 0.09 0.00 0.71 0.00 0.00 54.79 55.91 1gxr n ASP 751 Cb 0.60 -4.66 -0.13 0.00 -0.02 0.00 0.00 41.12 36.91 1gxr n ASP 751 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1gxr n LYS 752 N -2.83 0.65 -4.10 -1.24 4.81 -1.26 -4.75 118.16 109.44 1gxr n LYS 752 Ca -0.22 -0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 56.97 1gxr n LYS 752 Cb 0.67 -1.59 -0.12 0.00 0.02 0.00 0.00 35.03 34.01 1gxr n LYS 752 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1gxr s TYR 753 N -3.37 0.75 -0.04 5.64 1.51 -1.26 -0.22 117.35 120.36 1gxr s TYR 753 Ca -0.07 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1gxr s TYR 753 Cb 0.12 -0.44 -0.00 0.00 -0.11 0.00 0.00 41.96 41.52 1gxr s TYR 753 CO 0.88 -0.05 -0.16 0.42 -1.11 0.00 0.00 175.55 175.53 1gxr s ILE 754 N -1.22 1.29 -0.03 2.71 1.01 -0.49 -0.95 121.20 123.52 1gxr s ILE 754 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1gxr s ILE 754 Cb -0.09 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1gxr s ILE 754 CO 0.01 0.37 -0.22 -0.69 0.00 0.00 0.00 174.94 174.41 1gxr s VAL 755 N -0.00 1.74 0.06 2.92 1.01 -0.49 0.08 120.40 125.71 1gxr s VAL 755 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1gxr s VAL 755 Cb -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1gxr s VAL 755 CO 0.01 0.49 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 1gxr s THR 756 N -0.40 1.24 -0.11 3.92 -4.23 -0.47 -1.58 115.64 114.02 1gxr s THR 756 Ca 0.05 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 1gxr s THR 756 Cb -0.10 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1gxr s THR 756 CO 0.00 -0.07 0.06 -0.83 -0.54 0.00 0.00 174.62 173.24 1gxr s GLY 757 N -1.46 1.97 0.17 3.99 0.00 0.10 -0.87 107.32 111.22 1gxr s GLY 757 Ca 0.01 -0.74 0.11 0.00 0.00 0.00 0.00 44.72 44.10 1gxr s GLY 757 CO 0.02 -0.45 -0.21 -0.45 0.00 0.00 0.00 173.10 172.01 1gxr s SER 758 N -0.82 3.62 0.01 1.64 0.15 0.19 -0.87 113.70 117.62 1gxr s SER 758 Ca 0.13 -0.76 0.19 0.00 0.70 0.00 0.00 55.95 56.20 1gxr s SER 758 Cb -0.12 -0.37 0.80 0.00 -1.71 0.00 0.00 66.02 64.62 1gxr s SER 758 CO 0.03 0.13 1.60 0.61 1.20 0.00 0.00 173.24 176.81 1gxr n GLY 759 N 0.38 -1.15 1.54 9.45 0.00 0.31 -2.39 105.19 113.33 1gxr n GLY 759 Ca -0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1gxr n GLY 759 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gxr n ASP 760 N -1.54 3.62 -3.60 1.61 8.00 -1.26 -4.82 116.55 118.56 1gxr n ASP 760 Ca 0.04 -2.76 -0.21 0.00 0.71 0.00 0.00 54.79 52.57 1gxr n ASP 760 Cb 0.22 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1gxr n ASP 760 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gxr n LYS 761 N -0.08 -6.24 -3.85 -1.24 5.02 -1.01 -4.92 118.16 105.84 1gxr n LYS 761 Ca 0.27 0.75 -0.08 0.00 -2.02 0.00 0.00 58.31 57.22 1gxr n LYS 761 Cb 1.02 -5.62 -0.00 0.00 -0.02 0.00 0.00 35.03 30.40 1gxr n LYS 761 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1gxr s LYS 762 N -5.88 1.97 0.09 1.97 -2.85 -1.25 -1.07 119.74 112.71 1gxr s LYS 762 Ca 0.20 -1.21 0.06 0.00 -1.00 0.00 0.00 55.97 54.02 1gxr s LYS 762 Cb -0.09 0.61 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1gxr s LYS 762 CO 0.77 -0.90 -0.15 0.00 0.10 0.00 0.00 175.35 175.16 1gxr s ALA 763 N -3.24 1.40 -0.03 0.59 0.00 -0.65 -0.63 121.76 119.21 1gxr s ALA 763 Ca 0.14 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1gxr s ALA 763 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1gxr s ALA 763 CO 0.09 0.18 -0.26 0.99 0.00 0.00 0.00 175.76 176.77 1gxr s THR 764 N -1.53 2.06 -0.15 0.00 2.01 -0.05 -0.24 115.64 117.74 1gxr s THR 764 Ca 0.03 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 1gxr s THR 764 Cb -0.08 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1gxr s THR 764 CO 0.03 0.58 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.77 1gxr s VAL 765 N -0.55 3.49 0.05 3.82 1.01 -0.01 -1.36 120.40 126.85 1gxr s VAL 765 Ca 0.08 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1gxr s VAL 765 Cb -0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1gxr s VAL 765 CO -0.00 0.50 -0.23 -0.31 0.00 0.00 0.00 175.10 175.06 1gxr s TYR 766 N 0.42 2.43 -0.17 5.22 1.51 0.11 -0.71 117.35 126.16 1gxr s TYR 766 Ca -0.07 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1gxr s TYR 766 Cb -0.15 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1gxr s TYR 766 CO 0.04 0.21 0.07 -2.00 -1.11 0.00 0.00 175.55 172.76 1gxr s GLU 767 N -1.43 3.89 -0.18 -0.62 2.12 0.68 -1.40 118.70 121.76 1gxr s GLU 767 Ca 0.13 -0.31 -0.23 0.00 0.36 0.00 0.00 54.97 54.93 1gxr s GLU 767 Cb -0.10 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1gxr s GLU 767 CO 0.04 0.36 0.71 0.08 -0.54 0.00 0.00 175.26 175.90 1gxr s VAL 768 N 0.14 4.97 -0.20 3.70 1.01 0.70 -0.87 120.40 129.85 1gxr s VAL 768 Ca 0.05 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 1gxr s VAL 768 Cb -0.12 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1gxr s VAL 768 CO 0.00 0.09 0.07 -0.63 0.00 0.00 0.00 175.10 174.64 1gxr s ILE 769 N 1.93 4.81 -2.15 2.22 -1.09 -0.09 -4.87 121.20 121.96 1gxr s ILE 769 Ca 0.33 -0.02 0.17 0.00 -2.23 0.00 0.00 60.65 58.90 1gxr s ILE 769 Cb -0.16 -3.18 0.14 0.00 -1.58 0.00 0.00 42.46 37.67 1gxr s ILE 769 CO 0.11 0.43 1.04 -1.22 -1.23 0.00 0.00 174.94 174.08