#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxo s PHE 431 N 0.00 -0.32 0.07 1.61 -0.12 -0.96 -5.02 117.98 113.24 1jxo s PHE 431 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 56.93 56.97 1jxo s PHE 431 Cb 0.00 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1jxo s PHE 431 CO 0.00 -0.98 -0.21 0.71 -0.05 0.00 0.00 175.22 174.69 1jxo s TYR 432 N -3.71 2.47 0.04 3.49 1.51 -1.26 -0.19 117.35 119.71 1jxo s TYR 432 Ca 0.07 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1jxo s TYR 432 Cb -0.03 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1jxo s TYR 432 CO -0.02 0.27 -0.01 0.96 -1.11 0.00 0.00 175.55 175.64 1jxo s ILE 433 N -0.97 0.18 -0.13 2.71 -4.36 -0.66 -2.17 121.20 115.80 1jxo s ILE 433 Ca 0.15 -1.50 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1jxo s ILE 433 Cb -0.10 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 1jxo s ILE 433 CO 0.06 -0.83 -0.12 -0.60 0.24 0.00 0.00 174.94 173.70 1jxo s ARG 434 N -3.17 3.41 0.30 0.37 3.52 0.08 0.18 118.95 123.64 1jxo s ARG 434 Ca -0.00 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 54.65 1jxo s ARG 434 Cb 0.02 -2.67 -0.09 0.00 -1.56 0.00 0.00 34.95 30.65 1jxo s ARG 434 CO -0.07 0.23 1.10 0.00 -0.81 0.00 0.00 175.30 175.75 1jxo s ALA 435 N 0.32 3.36 -0.20 6.12 0.00 -0.07 -2.16 121.76 129.13 1jxo s ALA 435 Ca -0.09 0.89 0.15 0.00 0.00 0.00 0.00 51.96 52.91 1jxo s ALA 435 Cb -0.16 -3.33 0.46 0.00 0.00 0.00 0.00 23.12 20.10 1jxo s ALA 435 CO 0.05 -0.20 1.36 1.28 0.00 0.00 0.00 175.76 178.26 1jxo n LEU 436 N 0.99 3.53 -3.55 0.00 4.77 -0.43 -0.35 117.00 121.96 1jxo n LEU 436 Ca -0.00 -3.26 -0.11 0.00 -0.03 0.00 0.00 56.01 52.62 1jxo n LEU 436 Cb 0.45 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1jxo n LEU 436 CO 0.53 0.85 0.42 0.72 -1.33 0.00 0.00 177.39 178.58 1jxo s PHE 437 N -2.96 -0.44 0.07 -1.77 -0.12 -1.26 -4.83 117.98 106.67 1jxo s PHE 437 Ca 0.40 0.15 -0.11 0.00 -0.05 0.00 0.00 56.93 57.33 1jxo s PHE 437 Cb 0.34 0.60 -0.06 0.00 -0.63 0.00 0.00 43.02 43.28 1jxo s PHE 437 CO 0.05 -0.96 0.40 -0.51 -0.05 0.00 0.00 175.22 174.15 1jxo s ASP 438 N -2.80 6.66 -0.10 1.98 1.01 -1.26 -3.16 116.67 119.00 1jxo s ASP 438 Ca 0.04 0.82 -0.04 0.00 0.71 0.00 0.00 52.55 54.08 1jxo s ASP 438 Cb -0.02 -2.19 0.05 0.00 1.01 0.00 0.00 42.92 41.77 1jxo s ASP 438 CO -0.07 0.19 0.16 -0.47 0.21 0.00 0.00 175.17 175.19 1jxo s TYR 439 N -1.36 -0.16 -0.38 4.23 5.04 0.33 -4.95 117.35 120.10 1jxo s TYR 439 Ca 0.32 0.51 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 1jxo s TYR 439 Cb -0.14 -0.30 0.17 0.00 0.35 0.00 0.00 41.96 42.03 1jxo s TYR 439 CO 0.17 -0.32 0.49 0.34 -1.34 0.00 0.00 175.55 174.89 1jxo s ASP 440 N 2.29 -0.08 0.35 4.32 -1.08 -1.26 -0.98 116.67 120.22 1jxo s ASP 440 Ca 0.04 -1.12 0.06 0.00 -0.52 0.00 0.00 52.55 51.01 1jxo s ASP 440 Cb -0.13 1.22 0.64 0.00 -1.46 0.00 0.00 42.92 43.19 1jxo s ASP 440 CO -0.07 -0.23 1.87 0.07 0.52 0.00 0.00 175.17 177.33 1jxo h LYS 441 N 7.14 0.41 -0.56 4.34 5.09 -1.88 -0.34 116.57 130.77 1jxo h LYS 441 Ca 0.04 -0.10 -0.10 0.00 0.09 0.00 0.00 60.65 60.58 1jxo h LYS 441 Cb 1.11 -0.05 -0.02 0.00 0.10 0.00 0.00 32.23 33.37 1jxo h LYS 441 CO 0.16 0.51 -0.04 1.15 -2.09 0.00 0.00 179.45 179.14 1jxo h THR 442 N 0.39 1.27 -0.27 0.07 2.02 -1.91 0.86 112.91 115.34 1jxo h THR 442 Ca 0.08 -1.19 -0.13 0.00 0.77 0.00 0.00 66.41 65.94 1jxo h THR 442 Cb 0.40 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1jxo h THR 442 CO 0.02 0.42 -0.33 0.11 0.37 0.00 0.00 175.52 176.12 1jxo h LYS 443 N 0.90 0.69 -0.02 6.66 1.57 -1.80 0.25 116.57 124.82 1jxo h LYS 443 Ca 0.15 -0.39 -0.20 0.00 -1.87 0.00 0.00 60.65 58.34 1jxo h LYS 443 Cb 0.60 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1jxo h LYS 443 CO 0.04 1.00 -0.86 0.38 -0.57 0.00 0.00 179.45 179.45 1jxo h ASP 444 N 0.43 0.40 0.00 0.86 2.03 -0.98 -3.39 116.42 115.77 1jxo h ASP 444 Ca 0.04 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1jxo h ASP 444 Cb 0.90 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1jxo h ASP 444 CO 0.08 1.09 0.00 0.00 -1.03 0.00 0.00 179.24 179.38 1jxo n GLY 446 N 0.51 0.65 3.68 0.00 0.00 0.86 -5.00 105.19 105.90 1jxo n GLY 446 Ca 0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1jxo n GLY 446 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jxo s PHE 447 N -2.12 3.39 -0.16 1.61 5.36 -1.23 -4.96 117.98 119.89 1jxo s PHE 447 Ca 0.00 0.63 -0.10 0.00 -0.96 0.00 0.00 56.93 56.50 1jxo s PHE 447 Cb 0.00 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.13 1jxo s PHE 447 CO 0.00 0.03 0.18 -0.51 -1.46 0.00 0.00 175.22 173.46 1jxo s LEU 448 N 1.17 4.29 0.00 6.12 1.43 -1.26 -3.06 118.68 127.37 1jxo s LEU 448 Ca 0.19 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 1jxo s LEU 448 Cb -0.15 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 43.96 1jxo s LEU 448 CO 0.08 0.24 0.68 -1.54 0.23 0.00 0.00 176.35 176.04 1jxo n SER 449 N 2.96 -0.99 0.00 2.29 3.41 -1.26 -4.99 113.62 115.04 1jxo n SER 449 Ca -0.16 -1.46 0.09 0.00 -0.26 0.00 0.00 58.87 57.08 1jxo n SER 449 Cb 0.53 1.59 0.51 0.00 -0.26 0.00 0.00 64.21 66.58 1jxo n SER 449 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jxo n GLN 450 N -0.48 0.92 -1.74 4.33 3.00 -1.26 -4.87 117.38 117.28 1jxo n GLN 450 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1jxo n GLN 450 Cb 0.36 -1.29 -0.01 0.00 0.00 0.00 0.00 30.24 29.30 1jxo n GLN 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jxo n ALA 451 N -0.79 1.99 -2.18 -1.58 0.00 -1.26 -1.43 120.51 115.25 1jxo n ALA 451 Ca 0.13 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 1jxo n ALA 451 Cb 0.06 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 1jxo n ALA 451 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jxo s LEU 452 N -1.24 4.36 -0.12 0.00 2.96 0.32 -4.70 118.68 120.27 1jxo s LEU 452 Ca 0.57 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1jxo s LEU 452 Cb -0.52 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 42.70 1jxo s LEU 452 CO 0.59 0.08 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.72 1jxo s SER 453 N -1.61 4.82 0.16 3.68 1.04 -1.26 -4.77 113.70 115.76 1jxo s SER 453 Ca 0.40 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 1jxo s SER 453 Cb -0.17 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.43 1jxo s SER 453 CO 0.20 0.27 0.36 0.72 0.98 0.00 0.00 173.24 175.77 1jxo s PHE 454 N -0.23 0.12 0.31 5.02 -0.12 -0.15 -5.01 117.98 117.92 1jxo s PHE 454 Ca 0.04 -0.48 0.09 0.00 -0.05 0.00 0.00 56.93 56.53 1jxo s PHE 454 Cb -0.13 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.34 1jxo s PHE 454 CO 0.02 -0.75 0.02 -0.98 -0.05 0.00 0.00 175.22 173.48 1jxo s ARG 455 N -3.90 2.17 0.28 1.99 1.04 -1.26 -0.51 118.95 118.77 1jxo s ARG 455 Ca 0.11 -1.61 -0.28 0.00 -1.04 0.00 0.00 55.73 52.91 1jxo s ARG 455 Cb 0.02 -2.04 -0.14 0.00 -2.04 0.00 0.00 34.95 30.75 1jxo s ARG 455 CO -0.04 0.22 1.06 0.34 -0.04 0.00 0.00 175.30 176.83 1jxo n PHE 456 N -0.95 1.39 0.00 5.89 7.35 -1.19 -1.08 117.46 128.88 1jxo n PHE 456 Ca -0.05 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1jxo n PHE 456 Cb 0.61 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.17 1jxo n PHE 456 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jxo n GLY 457 N 1.26 2.37 3.75 7.13 0.00 0.52 -4.64 105.19 115.58 1jxo n GLY 457 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1jxo n GLY 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jxo s ASP 458 N -2.93 6.69 -0.13 1.61 1.01 -0.24 -4.66 116.67 118.01 1jxo s ASP 458 Ca 0.00 2.65 -0.18 0.00 0.71 0.00 0.00 52.55 55.73 1jxo s ASP 458 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1jxo s ASP 458 CO 0.00 -0.66 0.48 -0.69 0.21 0.00 0.00 175.17 174.51 1jxo s VAL 459 N -0.17 5.18 -0.04 -1.27 1.01 -1.26 -0.90 120.40 122.95 1jxo s VAL 459 Ca 0.57 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.57 1jxo s VAL 459 Cb -0.41 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1jxo s VAL 459 CO 0.44 0.30 -0.23 -0.76 0.00 0.00 0.00 175.10 174.85 1jxo s LEU 460 N 0.78 2.19 -0.44 3.92 1.43 0.13 -1.15 118.68 125.54 1jxo s LEU 460 Ca 0.26 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1jxo s LEU 460 Cb -0.15 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1jxo s LEU 460 CO 0.10 0.30 0.57 -2.28 0.23 0.00 0.00 176.35 175.27 1jxo s HIS 461 N -0.50 3.10 -0.37 0.29 5.65 0.17 -1.66 115.29 121.98 1jxo s HIS 461 Ca 0.06 -0.20 -0.22 0.00 0.25 0.00 0.00 55.06 54.95 1jxo s HIS 461 Cb -0.11 -3.20 0.01 0.00 -1.18 0.00 0.00 32.58 28.10 1jxo s HIS 461 CO 0.01 -0.82 0.74 0.08 -0.65 0.00 0.00 174.74 174.09 1jxo s VAL 462 N 2.57 4.77 -0.12 0.89 1.01 0.74 -1.94 120.40 128.32 1jxo s VAL 462 Ca 0.18 0.75 0.18 0.00 0.00 0.00 0.00 61.98 63.09 1jxo s VAL 462 Cb -0.15 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 31.83 1jxo s VAL 462 CO 0.17 -0.43 0.51 2.30 0.00 0.00 0.00 175.10 177.65 1jxo n ILE 463 N 5.76 1.09 -3.52 2.22 -5.35 -0.38 -2.26 119.36 116.92 1jxo n ILE 463 Ca 0.02 -0.72 -0.17 0.00 -0.27 0.00 0.00 62.75 61.60 1jxo n ILE 463 Cb 0.48 -0.56 -0.13 0.00 -1.74 0.00 0.00 39.64 37.70 1jxo n ILE 463 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jxo s ASP 464 N -5.50 1.17 -0.20 7.28 -1.08 -1.10 -4.77 116.67 112.47 1jxo s ASP 464 Ca -0.06 -0.07 0.16 0.00 -0.52 0.00 0.00 52.55 52.05 1jxo s ASP 464 Cb 0.09 0.44 0.57 0.00 -1.46 0.00 0.00 42.92 42.56 1jxo s ASP 464 CO 0.83 -0.31 1.47 0.00 0.52 0.00 0.00 175.17 177.69 1jxo n ALA 465 N 5.32 3.23 -0.21 3.66 0.00 -1.26 -0.57 120.51 130.69 1jxo n ALA 465 Ca -0.05 -2.34 -0.01 0.00 0.00 0.00 0.00 53.44 51.04 1jxo n ALA 465 Cb 0.50 -0.78 0.21 0.00 0.00 0.00 0.00 19.45 19.38 1jxo n ALA 465 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jxo h GLY 466 N 1.99 1.05 -4.93 0.00 0.00 -1.94 -3.41 103.07 95.83 1jxo h GLY 466 Ca 0.03 -0.46 -0.56 0.00 0.00 0.00 0.00 47.33 46.33 1jxo h GLY 466 CO 0.28 0.44 0.47 -0.35 0.00 0.00 0.00 176.54 177.39 1jxo s ASP 467 N -6.41 7.14 0.41 0.19 -1.08 -1.26 -4.94 116.67 110.72 1jxo s ASP 467 Ca -0.11 1.40 0.08 0.00 -0.52 0.00 0.00 52.55 53.41 1jxo s ASP 467 Cb 0.17 -2.52 0.88 0.00 -1.46 0.00 0.00 42.92 40.00 1jxo s ASP 467 CO 0.79 -0.41 2.03 -0.33 0.52 0.00 0.00 175.17 177.78 1jxo h GLU 468 N 7.14 0.53 0.06 4.34 3.07 -2.00 -3.19 114.58 124.53 1jxo h GLU 468 Ca -0.31 -0.03 -0.37 0.00 -0.50 0.00 0.00 59.36 58.15 1jxo h GLU 468 Cb 1.15 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.89 1jxo h GLU 468 CO 0.84 0.35 -2.15 0.39 -1.40 0.00 0.00 179.01 177.04 1jxo n GLU 469 N -4.47 0.70 -4.64 2.33 -0.58 -1.26 -4.50 120.64 108.22 1jxo n GLU 469 Ca 0.06 0.21 -0.29 0.00 -0.42 0.00 0.00 57.16 56.72 1jxo n GLU 469 Cb 0.15 -1.64 -0.17 0.00 -0.57 0.00 0.00 31.44 29.21 1jxo n GLU 469 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jxo s TRP 470 N -2.55 2.04 -0.01 -0.32 0.52 -1.20 -0.82 118.94 116.60 1jxo s TRP 470 Ca -0.23 -0.91 -0.05 0.00 0.02 0.00 0.00 56.10 54.92 1jxo s TRP 470 Cb 0.07 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1jxo s TRP 470 CO 0.73 -0.44 0.22 -1.58 0.02 0.00 0.00 176.95 175.90 1jxo s TRP 471 N 0.79 3.57 -0.13 -1.98 0.51 0.42 -4.07 118.94 118.05 1jxo s TRP 471 Ca -0.11 0.50 -0.14 0.00 -2.12 0.00 0.00 56.10 54.24 1jxo s TRP 471 Cb -0.16 -1.93 -0.05 0.00 -0.81 0.00 0.00 33.47 30.52 1jxo s TRP 471 CO 0.01 0.64 0.31 -1.14 -0.51 0.00 0.00 176.95 176.27 1jxo s GLN 472 N -1.71 4.17 0.29 4.98 0.74 0.27 -0.60 119.66 127.80 1jxo s GLN 472 Ca 0.26 0.15 -0.19 0.00 0.05 0.00 0.00 55.36 55.63 1jxo s GLN 472 Cb -0.13 -3.39 0.06 0.00 1.10 0.00 0.00 33.01 30.66 1jxo s GLN 472 CO 0.15 0.32 0.90 0.00 -0.55 0.00 0.00 175.29 176.11 1jxo s ALA 473 N 0.19 -1.13 -0.03 1.58 0.00 0.41 -1.26 121.76 121.53 1jxo s ALA 473 Ca 0.18 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1jxo s ALA 473 Cb -0.14 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1jxo s ALA 473 CO 0.06 -1.02 0.29 -0.98 0.00 0.00 0.00 175.76 174.11 1jxo s ARG 474 N -2.29 0.59 0.31 0.00 1.70 -0.82 0.30 118.95 118.75 1jxo s ARG 474 Ca 0.18 -0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 55.06 1jxo s ARG 474 Cb -0.04 0.27 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 1jxo s ARG 474 CO 0.09 -0.15 1.33 1.03 -1.08 0.00 0.00 175.30 176.52 1jxo s ARG 475 N -1.05 4.34 -0.87 3.89 0.52 -1.26 -0.66 118.95 123.86 1jxo s ARG 475 Ca -0.11 2.22 -0.07 0.00 -0.52 0.00 0.00 55.73 57.25 1jxo s ARG 475 Cb -0.05 -3.09 -0.10 0.00 0.52 0.00 0.00 34.95 32.23 1jxo s ARG 475 CO 0.03 -0.24 3.09 0.28 0.02 0.00 0.00 175.30 178.49 1jxo n VAL 476 N 1.20 3.87 -3.64 3.52 0.31 -0.30 -4.83 118.33 118.46 1jxo n VAL 476 Ca 0.02 -2.52 -0.27 0.00 -0.01 0.00 0.00 64.34 61.56 1jxo n VAL 476 Cb 0.42 -2.19 -0.16 0.00 -0.91 0.00 0.00 33.84 30.99 1jxo n VAL 476 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1jxo s ILE 485 N 0.70 0.13 0.00 2.52 1.10 -1.26 -5.08 121.20 119.31 1jxo s ILE 485 Ca 0.65 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 1jxo s ILE 485 Cb 0.26 -0.82 0.00 0.00 0.15 0.00 0.00 42.46 42.05 1jxo s ILE 485 CO -0.07 -0.35 0.00 0.61 -2.11 0.00 0.00 174.94 173.02 1jxo n GLY 486 N 5.19 3.49 3.67 1.50 0.00 0.15 -4.97 105.19 114.22 1jxo n GLY 486 Ca -0.07 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1jxo n GLY 486 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxo s PHE 487 N -2.03 3.01 0.05 1.61 0.40 -0.52 -0.44 117.98 120.06 1jxo s PHE 487 Ca 0.00 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1jxo s PHE 487 Cb 0.00 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1jxo s PHE 487 CO 0.00 0.45 -0.09 0.96 0.70 0.00 0.00 175.22 177.24 1jxo s ILE 488 N -1.15 0.70 0.38 0.64 -4.36 0.23 0.12 121.20 117.77 1jxo s ILE 488 Ca 0.21 -1.18 -0.27 0.00 -0.26 0.00 0.00 60.65 59.15 1jxo s ILE 488 Cb -0.11 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.72 1jxo s ILE 488 CO 0.12 -0.36 1.32 -2.16 0.24 0.00 0.00 174.94 174.10 1jxo s PRO 489 N -1.72 4.11 0.87 0.37 0.04 -1.26 -0.44 135.00 136.96 1jxo s PRO 489 Ca -0.07 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1jxo s PRO 489 Cb -0.09 -2.88 0.11 0.00 0.04 0.00 0.00 34.50 31.68 1jxo s PRO 489 CO 0.01 -0.40 1.09 -1.54 0.04 0.00 0.00 177.00 176.20 1jxo s SER 490 N -0.60 3.72 0.19 6.66 1.04 -0.00 -4.68 113.70 120.02 1jxo s SER 490 Ca 0.54 1.54 -0.13 0.00 0.48 0.00 0.00 55.95 58.38 1jxo s SER 490 Cb -0.39 -2.23 0.18 0.00 0.10 0.00 0.00 66.02 63.68 1jxo s SER 490 CO 0.51 -2.49 1.75 0.50 0.98 0.00 0.00 173.24 174.49 1jxo h LYS 491 N -1.45 0.34 -0.44 4.02 3.64 -1.90 -0.65 116.57 120.14 1jxo h LYS 491 Ca -0.48 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 1jxo h LYS 491 Cb 1.27 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1jxo h LYS 491 CO 0.54 0.22 0.10 -0.09 -2.27 0.00 0.00 179.45 177.95 1jxo h ARG 492 N 0.35 0.23 -0.21 1.90 2.43 -1.92 -1.09 114.38 116.06 1jxo h ARG 492 Ca 0.24 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1jxo h ARG 492 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1jxo h ARG 492 CO -0.25 0.15 0.03 -0.09 -1.51 0.00 0.00 179.97 178.30 1jxo h ARG 493 N 0.23 0.36 0.01 0.20 2.43 -1.59 -1.17 114.38 114.84 1jxo h ARG 493 Ca 0.21 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1jxo h ARG 493 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1jxo h ARG 493 CO -0.27 0.51 -0.00 0.28 -1.51 0.00 0.00 179.97 178.97 1jxo h VAL 494 N 0.15 1.03 -0.26 0.20 2.07 -0.88 -2.77 116.25 115.80 1jxo h VAL 494 Ca 0.06 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1jxo h VAL 494 Cb 0.33 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1jxo h VAL 494 CO 0.01 0.03 -0.20 -0.33 0.02 0.00 0.00 177.57 177.09 1jxo h GLU 495 N -0.06 0.59 -0.95 1.57 5.08 -1.25 -2.58 114.58 116.98 1jxo h GLU 495 Ca -0.00 -0.29 0.24 0.00 -1.00 0.00 0.00 59.36 58.31 1jxo h GLU 495 Cb 0.06 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.18 1jxo h GLU 495 CO 0.00 0.88 0.49 -0.09 -1.00 0.00 0.00 179.01 179.29 1jxo h ARG 496 N 0.31 0.44 -0.32 2.33 2.43 -1.21 1.06 114.38 119.42 1jxo h ARG 496 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1jxo h ARG 496 Cb 0.75 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1jxo h ARG 496 CO 0.05 0.29 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.57 1jxo h ARG 497 N 0.45 0.57 -0.03 0.20 1.12 -1.23 -1.40 114.38 114.06 1jxo h ARG 497 Ca 0.61 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 59.28 1jxo h ARG 497 Cb 1.19 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1jxo h ARG 497 CO -0.52 0.70 -0.07 0.93 -3.11 0.00 0.00 179.97 177.90 1jxo h GLU 498 N 0.52 0.10 -0.60 0.20 3.07 0.13 -2.64 114.58 115.36 1jxo h GLU 498 Ca 0.09 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1jxo h GLU 498 Cb 0.55 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1jxo h GLU 498 CO 0.03 0.66 0.34 -1.49 -1.40 0.00 0.00 179.01 177.15 1jxo h TRP 499 N -0.44 0.81 -0.63 4.33 -0.00 -0.35 -1.70 115.95 117.97 1jxo h TRP 499 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.83 1jxo h TRP 499 Cb 0.66 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.53 1jxo h TRP 499 CO 0.12 0.56 0.19 1.03 -0.00 0.00 0.00 178.44 180.35 1jxo h SER 500 N 0.84 0.89 0.09 -3.49 0.87 -1.24 0.28 113.55 111.78 1jxo h SER 500 Ca 0.22 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1jxo h SER 500 Cb 0.01 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1jxo h SER 500 CO -0.04 0.84 -0.05 0.03 -0.53 0.00 0.00 176.83 177.08 1jxo h ARG 501 N 0.92 -0.12 -0.85 2.24 -0.00 -0.95 -2.13 114.38 113.49 1jxo h ARG 501 Ca 0.21 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.67 1jxo h ARG 501 Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.23 1jxo h ARG 501 CO -0.01 0.11 0.43 -0.07 0.00 0.00 0.00 179.97 180.43 1jxo h LEU 502 N -0.35 1.09 -2.33 3.04 3.38 -1.02 -1.31 115.31 117.81 1jxo h LEU 502 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1jxo h LEU 502 Cb 0.29 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jxo h LEU 502 CO 0.02 0.91 -0.03 0.11 0.09 0.00 0.00 178.44 179.53 1jxo h LYS 503 N 1.20 0.00 0.00 1.13 1.57 -0.35 0.06 116.57 120.17 1jxo h LYS 503 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1jxo h LYS 503 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1jxo h LYS 503 CO -0.04 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1jxo h ALA 504 N 1.97 1.00 -0.02 3.86 0.00 -0.54 -2.69 119.26 122.84 1jxo h ALA 504 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jxo h ALA 504 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jxo h ALA 504 CO 0.00 0.00 -0.22 1.63 0.00 0.00 0.00 179.25 180.67 1jxo n LYS 505 N -2.37 1.58 -1.62 0.00 5.02 0.00 -4.93 118.16 115.85 1jxo n LYS 505 Ca 0.01 -1.18 -0.44 0.00 -2.02 0.00 0.00 58.31 54.69 1jxo n LYS 505 Cb 0.22 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1jxo n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jxo n ASP 506 N 0.38 1.64 -1.96 4.39 8.00 -1.02 -0.17 116.55 127.82 1jxo n ASP 506 Ca 0.09 1.18 -0.15 0.00 0.71 0.00 0.00 54.79 56.62 1jxo n ASP 506 Cb 0.41 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 1jxo n ASP 506 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jxo n TRP 507 N 0.22 -0.80 0.09 1.24 5.03 -1.26 -5.11 117.44 116.86 1jxo n TRP 507 Ca 0.08 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.61 1jxo n TRP 507 Cb 0.33 -3.00 0.00 0.00 -1.03 0.00 0.00 31.31 27.61 1jxo n TRP 507 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1jxo n GLY 508 N -0.60 -0.17 3.28 6.99 0.00 0.76 -5.25 105.19 110.19 1jxo n GLY 508 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1jxo n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxo s VAL 520 N -1.98 -0.48 0.05 1.61 1.01 -1.26 -5.08 120.40 114.26 1jxo s VAL 520 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1jxo s VAL 520 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1jxo s VAL 520 CO 0.00 0.00 -0.22 -0.76 0.00 0.00 0.00 175.10 174.12 1jxo s LEU 521 N 2.67 2.17 0.00 3.92 1.43 -1.26 -5.04 118.68 122.56 1jxo s LEU 521 Ca 0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1jxo s LEU 521 Cb -0.08 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1jxo s LEU 521 CO -0.15 0.19 0.00 -1.54 0.23 0.00 0.00 176.35 175.07 1jxo n SER 522 N 1.81 0.00 -4.21 2.29 3.41 -1.26 -4.83 113.62 110.83 1jxo n SER 522 Ca -0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 1jxo n SER 522 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1jxo n SER 522 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jxo s TYR 523 N 0.00 1.07 -0.02 7.33 1.51 -1.26 -1.31 117.35 124.67 1jxo s TYR 523 Ca 0.00 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1jxo s TYR 523 Cb 0.00 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1jxo s TYR 523 CO 0.00 -0.32 -0.03 -1.83 -1.11 0.00 0.00 175.55 172.26 1jxo s GLU 524 N -3.96 0.38 0.33 -0.62 -1.05 -0.92 -4.95 118.70 107.91 1jxo s GLU 524 Ca 0.23 -0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.71 1jxo s GLU 524 Cb 0.07 -0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 33.23 1jxo s GLU 524 CO 0.03 -0.00 1.18 0.95 0.95 0.00 0.00 175.26 178.36 1jxo s THR 525 N 0.38 3.17 0.11 1.83 -4.23 -1.26 -0.74 115.64 114.89 1jxo s THR 525 Ca -0.04 1.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.63 1jxo s THR 525 Cb -0.07 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1jxo s THR 525 CO -0.01 0.22 -0.10 0.68 -0.54 0.00 0.00 174.62 174.87 1jxo s VAL 526 N -1.24 0.99 0.17 2.29 -7.23 -0.92 -3.40 120.40 111.06 1jxo s VAL 526 Ca 0.49 -1.76 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1jxo s VAL 526 Cb -0.34 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1jxo s VAL 526 CO 0.44 -0.62 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.55 1jxo s THR 527 N -2.71 1.76 -0.04 5.32 2.01 0.74 -4.50 115.64 118.22 1jxo s THR 527 Ca 0.08 -1.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.01 1jxo s THR 527 Cb -0.01 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1jxo s THR 527 CO -0.00 -0.38 0.31 -1.58 -0.69 0.00 0.00 174.62 172.28 1jxo s GLN 528 N -2.95 3.74 0.04 4.92 0.74 -1.26 -0.40 119.66 124.49 1jxo s GLN 528 Ca 0.16 0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.72 1jxo s GLN 528 Cb -0.05 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 1jxo s GLN 528 CO 0.06 0.73 0.11 0.00 -0.55 0.00 0.00 175.29 175.64 1jxo s MET 529 N -1.06 0.61 0.12 1.67 0.23 0.16 -4.95 119.30 116.08 1jxo s MET 529 Ca 0.20 -0.76 -0.16 0.00 -1.03 0.00 0.00 55.69 53.95 1jxo s MET 529 Cb -0.15 0.24 -0.07 0.00 -1.53 0.00 0.00 34.83 33.32 1jxo s MET 529 CO 0.10 -0.16 0.55 -2.00 -2.03 0.00 0.00 175.02 171.49 1jxo s GLU 530 N -2.68 4.05 0.06 3.16 2.12 -1.26 -0.81 118.70 123.34 1jxo s GLU 530 Ca -0.04 0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.95 1jxo s GLU 530 Cb -0.01 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 1jxo s GLU 530 CO -0.05 0.53 -0.25 0.08 -0.54 0.00 0.00 175.26 175.04 1jxo s VAL 531 N -1.35 2.31 -0.47 3.70 1.01 0.24 -4.96 120.40 120.88 1jxo s VAL 531 Ca 0.35 -1.42 0.11 0.00 0.00 0.00 0.00 61.98 61.02 1jxo s VAL 531 Cb -0.16 -1.94 0.32 0.00 0.00 0.00 0.00 36.38 34.59 1jxo s VAL 531 CO 0.19 0.30 1.25 1.41 0.00 0.00 0.00 175.10 178.25 1jxo n HIS 532 N 1.55 0.48 -4.23 5.22 -0.00 -1.26 -4.74 115.22 112.23 1jxo n HIS 532 Ca -0.17 -0.66 -0.13 0.00 -0.00 0.00 0.00 57.72 56.76 1jxo n HIS 532 Cb 0.52 -0.13 -0.10 0.00 -0.00 0.00 0.00 29.99 30.28 1jxo n HIS 532 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jxo s TYR 533 N -1.71 1.22 -0.03 4.41 -0.85 -1.26 -4.91 117.35 114.22 1jxo s TYR 533 Ca 0.25 -1.19 -0.25 0.00 -0.52 0.00 0.00 57.07 55.36 1jxo s TYR 533 Cb 0.18 -0.68 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 1jxo s TYR 533 CO 0.10 -0.41 0.78 0.00 -1.52 0.00 0.00 175.55 174.50 1jxo s ALA 534 N -3.88 3.30 0.18 9.51 0.00 -0.47 -5.01 121.76 125.40 1jxo s ALA 534 Ca 0.31 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1jxo s ALA 534 Cb 0.07 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 1jxo s ALA 534 CO 0.08 -0.09 1.54 1.03 0.00 0.00 0.00 175.76 178.32 1jxo s ARG 535 N 0.65 4.23 0.79 0.00 0.52 -1.26 -4.61 118.95 119.26 1jxo s ARG 535 Ca 0.41 2.34 -0.13 0.00 -0.52 0.00 0.00 55.73 57.83 1jxo s ARG 535 Cb -0.19 -3.15 0.07 0.00 0.52 0.00 0.00 34.95 32.20 1jxo s ARG 535 CO 0.21 -0.57 1.15 -2.14 0.02 0.00 0.00 175.30 173.98 1jxo s PRO 536 N 0.90 1.88 -0.08 3.54 0.02 -1.26 -4.16 135.00 135.83 1jxo s PRO 536 Ca 0.68 1.54 0.05 0.00 0.02 0.00 0.00 61.00 63.29 1jxo s PRO 536 Cb -0.43 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 1jxo s PRO 536 CO 0.33 -1.99 -0.24 0.42 -0.33 0.00 0.00 177.00 175.19 1jxo s ILE 537 N -2.41 2.05 -0.31 2.83 -1.09 0.43 -0.46 121.20 122.24 1jxo s ILE 537 Ca 0.69 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1jxo s ILE 537 Cb -0.24 -1.76 0.09 0.00 -1.58 0.00 0.00 42.46 38.98 1jxo s ILE 537 CO 0.51 0.56 0.06 -0.63 -1.23 0.00 0.00 174.94 174.21 1jxo s ILE 538 N 0.16 1.43 -0.10 2.92 1.01 -0.21 -0.70 121.20 125.73 1jxo s ILE 538 Ca -0.13 -1.69 -0.16 0.00 0.00 0.00 0.00 60.65 58.67 1jxo s ILE 538 Cb -0.16 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1jxo s ILE 538 CO 0.07 -0.57 0.40 -0.63 0.00 0.00 0.00 174.94 174.21 1jxo s ILE 539 N 1.35 5.18 0.20 2.92 1.01 -1.26 -0.43 121.20 130.16 1jxo s ILE 539 Ca 0.08 0.80 0.07 0.00 0.00 0.00 0.00 60.65 61.60 1jxo s ILE 539 Cb -0.18 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1jxo s ILE 539 CO -0.17 0.42 -0.13 -0.76 0.00 0.00 0.00 174.94 174.30 1jxo s LEU 540 N 0.08 2.54 0.00 2.97 1.43 0.17 -4.89 118.68 120.98 1jxo s LEU 540 Ca 0.23 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1jxo s LEU 540 Cb -0.15 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1jxo s LEU 540 CO 0.09 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1jxo n GLY 541 N -0.36 0.13 3.71 -3.19 0.00 -1.26 -0.71 105.19 103.51 1jxo n GLY 541 Ca -0.08 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1jxo n GLY 541 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jxo n PRO 542 N -0.11 2.23 -0.95 1.61 -0.02 -1.26 -2.27 135.00 134.23 1jxo n PRO 542 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1jxo n PRO 542 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1jxo n PRO 542 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jxo n THR 543 N 0.84 0.00 -0.22 3.45 -2.24 -1.26 -4.88 114.28 109.97 1jxo n THR 543 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 1jxo n THR 543 Cb 0.35 -0.33 0.34 0.00 -2.10 0.00 0.00 70.33 68.59 1jxo n THR 543 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1jxo h LYS 544 N 0.96 0.77 -0.43 -0.78 2.10 -1.75 -0.81 116.57 116.63 1jxo h LYS 544 Ca 0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1jxo h LYS 544 Cb 0.28 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 1jxo h LYS 544 CO 0.00 0.51 0.12 -0.44 -2.00 0.00 0.00 179.45 177.63 1jxo h ASP 545 N 0.79 0.63 -0.38 7.07 3.32 -1.90 0.10 116.42 126.05 1jxo h ASP 545 Ca 0.35 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1jxo h ASP 545 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1jxo h ASP 545 CO -0.13 0.69 0.19 -0.09 -1.72 0.00 0.00 179.24 178.18 1jxo h ARG 546 N 0.55 0.54 -0.69 3.56 2.43 -1.71 -1.70 114.38 117.37 1jxo h ARG 546 Ca 0.14 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1jxo h ARG 546 Cb 0.29 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1jxo h ARG 546 CO -0.00 0.48 0.39 0.00 -1.51 0.00 0.00 179.97 179.33 1jxo h ALA 547 N 1.04 1.39 0.11 2.80 0.00 -0.96 -1.41 119.26 122.22 1jxo h ALA 547 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jxo h ALA 547 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jxo h ALA 547 CO -0.02 0.51 -0.05 -0.91 0.00 0.00 0.00 179.25 178.78 1jxo h ASN 548 N 0.96 -0.12 -0.56 0.00 2.35 -0.55 -2.36 115.58 115.30 1jxo h ASN 548 Ca 0.25 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1jxo h ASN 548 Cb -0.00 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1jxo h ASN 548 CO -0.04 0.06 0.26 0.44 -1.65 0.00 0.00 177.43 176.50 1jxo h ASP 549 N -0.30 0.74 -0.41 5.81 3.32 -1.05 -2.42 116.42 122.11 1jxo h ASP 549 Ca -0.01 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1jxo h ASP 549 Cb 0.25 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1jxo h ASP 549 CO 0.02 0.66 0.01 0.44 -1.72 0.00 0.00 179.24 178.66 1jxo h ASP 550 N 0.76 0.77 -0.63 6.45 5.19 -1.28 0.16 116.42 127.83 1jxo h ASP 550 Ca 0.19 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1jxo h ASP 550 Cb 0.13 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 1jxo h ASP 550 CO -0.02 0.83 0.11 -0.07 -3.12 0.00 0.00 179.24 176.97 1jxo h LEU 551 N 0.75 1.01 -0.42 1.55 3.38 -1.24 0.23 115.31 120.57 1jxo h LEU 551 Ca 0.15 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1jxo h LEU 551 Cb 0.45 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jxo h LEU 551 CO 0.02 1.00 -0.45 -0.07 0.09 0.00 0.00 178.44 179.03 1jxo h LEU 552 N 1.00 0.90 0.22 1.67 3.38 -1.00 -1.64 115.31 119.82 1jxo h LEU 552 Ca 0.20 -0.44 -0.33 0.00 0.09 0.00 0.00 57.88 57.41 1jxo h LEU 552 Cb 0.41 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jxo h LEU 552 CO 0.01 1.21 -1.51 0.77 0.09 0.00 0.00 178.44 179.01 1jxo h SER 553 N 0.66 0.72 0.52 -0.43 4.64 -0.84 -3.18 113.55 115.64 1jxo h SER 553 Ca 0.04 -0.83 -0.16 0.00 -0.47 0.00 0.00 61.79 60.37 1jxo h SER 553 Cb 1.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1jxo h SER 553 CO 0.10 1.66 -0.72 -0.08 -0.87 0.00 0.00 176.83 176.93 1jxo h GLU 554 N 0.13 0.17 -2.03 4.77 4.81 -0.62 -3.38 114.58 118.42 1jxo h GLU 554 Ca -0.26 -0.14 -0.53 0.00 -0.13 0.00 0.00 59.36 58.30 1jxo h GLU 554 Cb 2.12 0.03 -0.40 0.00 0.63 0.00 0.00 28.75 31.14 1jxo h GLU 554 CO 0.24 0.81 -1.08 1.19 -0.73 0.00 0.00 179.01 179.44 1jxo n PHE 555 N -3.76 0.34 0.14 0.92 3.01 -0.62 -4.94 117.46 112.55 1jxo n PHE 555 Ca -0.02 -3.72 0.15 0.00 1.01 0.00 0.00 57.45 54.87 1jxo n PHE 555 Cb 0.70 -0.40 0.71 0.00 -0.01 0.00 0.00 39.48 40.48 1jxo n PHE 555 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jxo h PRO 556 N 3.58 0.00 0.00 -1.08 0.11 -1.74 -0.40 132.00 132.47 1jxo h PRO 556 Ca 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 1jxo h PRO 556 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1jxo h PRO 556 CO 0.52 0.00 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.56 1jxo h ASP 557 N 0.00 0.00 0.00 -2.05 3.45 -1.92 -3.31 116.42 112.59 1jxo h ASP 557 Ca 0.13 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.40 1jxo h ASP 557 Cb 0.55 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.28 1jxo h ASP 557 CO -0.00 0.30 -2.06 2.29 -1.57 0.00 0.00 179.24 178.20 1jxo n LYS 558 N -3.38 0.90 -4.85 3.56 2.85 -0.36 -4.86 118.16 112.03 1jxo n LYS 558 Ca 0.01 -0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 56.93 1jxo n LYS 558 Cb 0.51 -1.45 -0.15 0.00 -0.65 0.00 0.00 35.03 33.29 1jxo n LYS 558 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1jxo s PHE 559 N -2.80 1.73 0.13 5.58 0.40 -0.31 -0.97 117.98 121.73 1jxo s PHE 559 Ca -0.08 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1jxo s PHE 559 Cb 0.08 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1jxo s PHE 559 CO 0.75 0.00 0.08 0.20 0.70 0.00 0.00 175.22 176.94 1jxo s GLY 560 N -0.64 0.87 -0.01 4.36 0.00 -0.49 -4.50 107.32 106.90 1jxo s GLY 560 Ca 0.07 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1jxo s GLY 560 CO -0.00 -1.29 0.02 -0.56 0.00 0.00 0.00 173.10 171.27 1jxo s SER 561 N -3.02 5.29 0.62 1.64 0.01 -1.26 -0.77 113.70 116.21 1jxo s SER 561 Ca 0.21 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.48 1jxo s SER 561 Cb 0.07 -1.44 0.03 0.00 0.21 0.00 0.00 66.02 64.89 1jxo s SER 561 CO 0.00 0.29 0.91 0.00 0.41 0.00 0.00 173.24 174.86 1jxo s VAL 563 N -3.03 4.75 0.66 0.00 1.01 -1.26 -5.05 120.40 117.47 1jxo s VAL 563 Ca 0.56 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1jxo s VAL 563 Cb -0.11 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1jxo s VAL 563 CO 0.44 -0.79 1.06 -2.16 0.00 0.00 0.00 175.10 173.65 1jxo s PRO 564 N 3.00 3.05 0.18 2.72 0.04 -1.26 -4.66 135.00 138.08 1jxo s PRO 564 Ca 0.22 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.22 1jxo s PRO 564 Cb -0.16 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1jxo s PRO 564 CO 0.17 -1.01 0.45 -1.01 0.04 0.00 0.00 177.00 175.63 1jxo s HIS 565 N -2.87 3.46 -0.06 0.56 3.76 -0.37 -0.95 115.29 118.82 1jxo s HIS 565 Ca 0.60 0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 56.00 1jxo s HIS 565 Cb -0.14 -2.09 0.03 0.00 1.11 0.00 0.00 32.58 31.49 1jxo s HIS 565 CO 0.50 0.36 0.37 -0.08 -0.85 0.00 0.00 174.74 175.04 1jxo s THR 566 N -1.75 0.03 -1.10 1.30 -1.32 -0.67 -2.45 115.64 109.67 1jxo s THR 566 Ca 0.43 -0.28 0.25 0.00 -1.21 0.00 0.00 61.69 60.87 1jxo s THR 566 Cb -0.12 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1jxo s THR 566 CO 0.24 -0.16 1.36 0.35 -2.21 0.00 0.00 174.62 174.20 1jxo n THR 567 N 1.72 0.00 0.27 5.08 -2.24 -0.96 -0.54 114.28 117.61 1jxo n THR 567 Ca -0.19 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1jxo n THR 567 Cb 0.56 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1jxo n THR 567 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jxo h ARG 568 N 0.18 -0.71 0.00 -0.78 -0.00 -1.81 -3.44 114.38 107.81 1jxo h ARG 568 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1jxo h ARG 568 Cb 0.51 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.64 1jxo h ARG 568 CO 0.00 -0.44 0.00 -2.13 0.00 0.00 0.00 179.97 177.40 1jxo n ARG 578 N -5.28 0.00 -0.09 0.04 0.63 -1.26 -4.72 116.66 105.98 1jxo n ARG 578 Ca -0.10 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.68 1jxo n ARG 578 Cb 0.31 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.15 1jxo n ARG 578 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jxo n ASP 579 N 0.00 1.84 -4.21 6.15 8.00 -1.26 -4.93 116.55 122.15 1jxo n ASP 579 Ca 0.00 0.50 -0.12 0.00 0.71 0.00 0.00 54.79 55.88 1jxo n ASP 579 Cb 0.00 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 1jxo n ASP 579 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jxo s TYR 580 N -2.33 1.06 -0.44 1.24 1.51 -1.26 -4.27 117.35 112.86 1jxo s TYR 580 Ca -0.24 -0.84 -0.16 0.00 -1.01 0.00 0.00 57.07 54.82 1jxo s TYR 580 Cb 0.05 -0.57 0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1jxo s TYR 580 CO 0.44 -0.04 0.40 -1.01 -1.11 0.00 0.00 175.55 174.22 1jxo s HIS 581 N -3.49 3.21 0.08 2.71 3.76 -0.12 -4.99 115.29 116.45 1jxo s HIS 581 Ca 0.14 -0.65 -0.30 0.00 -0.15 0.00 0.00 55.06 54.10 1jxo s HIS 581 Cb 0.04 -2.95 -0.05 0.00 1.11 0.00 0.00 32.58 30.73 1jxo s HIS 581 CO -0.02 -0.73 0.95 -0.06 -0.85 0.00 0.00 174.74 174.03 1jxo s PHE 582 N 1.86 3.77 -0.16 1.40 0.40 -1.26 -1.67 117.98 122.32 1jxo s PHE 582 Ca 0.07 1.75 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1jxo s PHE 582 Cb -0.20 -3.05 0.01 0.00 0.51 0.00 0.00 43.02 40.28 1jxo s PHE 582 CO 0.10 0.16 -0.17 0.08 0.70 0.00 0.00 175.22 176.09 1jxo s VAL 583 N 0.22 2.39 0.10 -0.44 1.01 0.29 -4.93 120.40 119.04 1jxo s VAL 583 Ca 0.47 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1jxo s VAL 583 Cb -0.23 -2.00 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 1jxo s VAL 583 CO 0.29 0.52 1.33 0.28 0.00 0.00 0.00 175.10 177.52 1jxo h SER 584 N 7.58 0.91 -3.32 3.32 0.02 -1.86 -3.38 113.55 116.82 1jxo h SER 584 Ca -0.37 -0.59 -0.59 0.00 -0.84 0.00 0.00 61.79 59.39 1jxo h SER 584 Cb 1.17 -0.27 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 1jxo h SER 584 CO 0.59 1.34 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.72 1jxo s SER 585 N -6.97 6.37 0.15 3.07 0.15 -1.26 -4.95 113.70 110.26 1jxo s SER 585 Ca -0.11 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 1jxo s SER 585 Cb 0.09 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1jxo s SER 585 CO 0.89 0.10 1.37 0.08 1.20 0.00 0.00 173.24 176.87 1jxo h ARG 586 N 6.79 0.43 -0.32 5.44 -0.00 -1.92 -2.65 114.38 122.15 1jxo h ARG 586 Ca -0.40 -0.40 -0.00 0.00 -0.00 0.00 0.00 59.98 59.18 1jxo h ARG 586 Cb 1.16 0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 31.21 1jxo h ARG 586 CO 0.75 1.05 0.20 1.05 -0.00 0.00 0.00 179.97 183.01 1jxo h GLU 587 N 0.27 0.44 -0.60 0.08 9.09 -1.99 0.52 114.58 122.40 1jxo h GLU 587 Ca -0.05 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 59.29 1jxo h GLU 587 Cb 1.43 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 28.41 1jxo h GLU 587 CO 0.14 0.33 0.26 0.87 0.05 0.00 0.00 179.01 180.67 1jxo h LYS 588 N 0.42 0.86 0.20 1.06 1.57 -1.97 -1.38 116.57 117.32 1jxo h LYS 588 Ca 0.12 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1jxo h LYS 588 Cb 0.01 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1jxo h LYS 588 CO -0.02 0.69 -0.10 1.98 -0.57 0.00 0.00 179.45 181.43 1jxo h MET 589 N 0.85 -0.26 -0.63 3.15 4.05 -0.95 -1.47 114.93 119.68 1jxo h MET 589 Ca 0.21 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.71 1jxo h MET 589 Cb 0.13 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1jxo h MET 589 CO -0.02 -0.02 0.42 0.93 0.23 0.00 0.00 176.91 178.44 1jxo h GLU 590 N -0.47 0.58 -0.16 0.39 5.08 0.35 -1.31 114.58 119.04 1jxo h GLU 590 Ca -0.03 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1jxo h GLU 590 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jxo h GLU 590 CO 0.04 0.38 -0.50 0.87 -1.00 0.00 0.00 179.01 178.80 1jxo h LYS 591 N 0.59 0.62 -0.68 2.33 1.57 -1.09 -2.25 116.57 117.67 1jxo h LYS 591 Ca 0.27 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1jxo h LYS 591 Cb 0.32 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1jxo h LYS 591 CO -0.08 1.08 0.42 -0.44 -0.57 0.00 0.00 179.45 179.85 1jxo h ASP 592 N 0.29 0.81 -0.27 0.86 3.32 -0.61 0.23 116.42 121.05 1jxo h ASP 592 Ca -0.02 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1jxo h ASP 592 Cb 1.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1jxo h ASP 592 CO 0.11 0.62 0.13 0.40 -1.72 0.00 0.00 179.24 178.78 1jxo h ILE 593 N 0.94 1.15 0.00 0.35 2.04 -1.18 -1.35 117.51 119.46 1jxo h ILE 593 Ca 0.25 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1jxo h ILE 593 Cb -0.05 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1jxo h ILE 593 CO -0.05 0.15 -0.09 1.56 0.00 0.00 0.00 178.15 179.73 1jxo h GLN 594 N 0.31 0.00 -0.44 2.37 4.20 -0.63 -1.03 115.11 119.88 1jxo h GLN 594 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1jxo h GLN 594 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1jxo h GLN 594 CO -0.01 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 1jxo n ALA 595 N -2.30 2.62 -3.65 3.87 0.00 0.70 -4.90 120.51 116.84 1jxo n ALA 595 Ca -0.02 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 1jxo n ALA 595 Cb 0.20 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.72 1jxo n ALA 595 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxo n HIS 596 N 0.34 -2.63 0.42 0.00 -0.00 -0.39 -4.87 115.22 108.09 1jxo n HIS 596 Ca 0.10 0.98 0.12 0.00 -0.00 0.00 0.00 57.72 58.92 1jxo n HIS 596 Cb 0.35 -4.79 0.10 0.00 -0.00 0.00 0.00 29.99 25.65 1jxo n HIS 596 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1jxo h LYS 597 N -2.43 0.00 -6.40 -0.41 6.56 -1.46 -3.47 116.57 108.97 1jxo h LYS 597 Ca -0.58 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.33 1jxo h LYS 597 Cb 1.37 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.83 1jxo h LYS 597 CO 0.58 0.00 -0.75 -0.06 -2.06 0.00 0.00 179.45 177.16 1jxo s PHE 598 N -3.23 2.74 0.17 -1.35 0.40 -1.26 -2.04 117.98 113.41 1jxo s PHE 598 Ca 0.04 -0.14 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1jxo s PHE 598 Cb 0.12 -1.56 0.17 0.00 0.51 0.00 0.00 43.02 42.26 1jxo s PHE 598 CO 0.75 0.30 1.49 0.82 0.70 0.00 0.00 175.22 179.29 1jxo h ILE 599 N 3.91 1.44 -1.51 0.64 1.08 -1.27 -3.47 117.51 118.34 1jxo h ILE 599 Ca -0.48 -2.53 0.09 0.00 -0.39 0.00 0.00 64.86 61.55 1jxo h ILE 599 Cb 1.16 2.39 -0.26 0.00 -3.07 0.00 0.00 36.82 37.05 1jxo h ILE 599 CO 0.51 0.71 0.55 -0.70 -0.69 0.00 0.00 178.15 178.53 1jxo s GLU 600 N -3.24 0.47 0.16 2.37 2.12 -1.25 -4.53 118.70 114.80 1jxo s GLU 600 Ca 0.00 0.36 -0.14 0.00 0.36 0.00 0.00 54.97 55.56 1jxo s GLU 600 Cb 0.11 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.74 1jxo s GLU 600 CO 0.77 -0.10 0.38 0.00 -0.54 0.00 0.00 175.26 175.78 1jxo s ALA 601 N -0.32 -0.57 -0.03 6.30 0.00 -1.26 -1.20 121.76 124.68 1jxo s ALA 601 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1jxo s ALA 601 Cb -0.03 0.77 0.10 0.00 0.00 0.00 0.00 23.12 23.96 1jxo s ALA 601 CO -0.04 -0.68 1.31 0.20 0.00 0.00 0.00 175.76 176.54 1jxo s GLY 602 N -2.88 -0.21 0.50 0.00 0.00 0.54 -4.98 107.32 100.28 1jxo s GLY 602 Ca 0.10 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1jxo s GLY 602 CO -0.05 4.46 0.00 1.62 0.00 0.00 0.00 173.10 179.14 1jxo s GLN 603 N -2.09 2.17 0.00 2.90 0.74 -1.26 -0.24 119.66 121.89 1jxo s GLN 603 Ca 0.26 -2.38 0.00 0.00 0.05 0.00 0.00 55.36 53.30 1jxo s GLN 603 Cb 0.01 -1.53 0.00 0.00 1.10 0.00 0.00 33.01 32.59 1jxo s GLN 603 CO -0.02 -0.34 0.83 -1.13 -0.55 0.00 0.00 175.29 174.08 1jxo n SER 606 N -1.24 0.00 -4.91 6.67 3.41 -1.26 -4.81 113.62 111.48 1jxo n SER 606 Ca -0.18 -1.65 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 1jxo n SER 606 Cb 0.67 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1jxo n SER 606 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jxo s HIS 607 N -2.00 3.33 0.21 7.33 3.76 -1.26 -5.07 115.29 121.59 1jxo s HIS 607 Ca 0.00 -0.01 -0.22 0.00 -0.15 0.00 0.00 55.06 54.68 1jxo s HIS 607 Cb 0.00 -1.54 -0.08 0.00 1.11 0.00 0.00 32.58 32.07 1jxo s HIS 607 CO 0.00 0.49 0.75 -0.51 -0.85 0.00 0.00 174.74 174.62 1jxo s LEU 608 N -3.68 4.43 0.01 0.89 1.43 -1.26 -4.93 118.68 115.57 1jxo s LEU 608 Ca 0.33 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1jxo s LEU 608 Cb -0.09 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1jxo s LEU 608 CO 0.27 0.09 -0.06 -0.31 0.23 0.00 0.00 176.35 176.57 1jxo s TYR 609 N -1.39 0.56 0.07 0.29 1.51 0.67 -2.27 117.35 116.79 1jxo s TYR 609 Ca 0.41 -0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 55.99 1jxo s TYR 609 Cb -0.19 -0.35 0.07 0.00 -0.11 0.00 0.00 41.96 41.38 1jxo s TYR 609 CO 0.23 -0.03 0.61 0.20 -1.11 0.00 0.00 175.55 175.45 1jxo s GLY 610 N -0.59 -0.57 -0.38 0.71 0.00 -1.03 -0.34 107.32 105.12 1jxo s GLY 610 Ca -0.02 0.80 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 1jxo s GLY 610 CO 0.00 0.46 0.18 -1.59 0.00 0.00 0.00 173.10 172.16 1jxo s THR 611 N -2.64 3.88 0.51 0.90 2.01 -0.34 -1.24 115.64 118.71 1jxo s THR 611 Ca -0.04 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.37 1jxo s THR 611 Cb -0.01 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1jxo s THR 611 CO -0.03 -0.39 1.05 -0.94 -0.69 0.00 0.00 174.62 173.61 1jxo s SER 612 N 1.78 6.21 0.25 3.53 1.04 -1.26 -0.79 113.70 124.45 1jxo s SER 612 Ca 0.02 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 1jxo s SER 612 Cb -0.22 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.61 1jxo s SER 612 CO 0.01 -0.88 1.92 0.58 0.98 0.00 0.00 173.24 175.86 1jxo h VAL 613 N 1.36 1.23 -0.38 5.02 2.07 -1.75 -2.66 116.25 121.14 1jxo h VAL 613 Ca -0.49 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1jxo h VAL 613 Cb 1.22 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1jxo h VAL 613 CO 0.59 0.24 0.23 1.56 0.02 0.00 0.00 177.57 180.20 1jxo h GLN 614 N 1.31 0.52 -0.79 1.57 7.50 -1.92 0.09 115.11 123.38 1jxo h GLN 614 Ca 0.37 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.45 1jxo h GLN 614 Cb -0.12 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.26 1jxo h GLN 614 CO -0.09 0.39 0.42 0.77 -1.50 0.00 0.00 178.83 178.82 1jxo h SER 615 N 0.50 0.99 -0.26 1.46 0.02 -1.81 0.89 113.55 115.34 1jxo h SER 615 Ca 0.14 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1jxo h SER 615 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1jxo h SER 615 CO -0.03 0.81 -0.01 0.58 -1.14 0.00 0.00 176.83 177.05 1jxo h VAL 616 N 1.11 1.26 -0.57 2.27 2.07 -1.23 -2.90 116.25 118.26 1jxo h VAL 616 Ca 0.28 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1jxo h VAL 616 Cb 0.05 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1jxo h VAL 616 CO -0.04 0.30 0.23 -0.09 0.02 0.00 0.00 177.57 177.98 1jxo h ARG 617 N 0.24 0.41 -0.57 1.57 9.65 -0.30 -0.69 114.38 124.70 1jxo h ARG 617 Ca 0.07 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1jxo h ARG 617 Cb 0.44 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1jxo h ARG 617 CO 0.02 0.27 0.29 0.93 2.80 0.00 0.00 179.97 184.28 1jxo h GLU 618 N 0.42 0.54 -0.38 0.20 5.08 -0.71 0.29 114.58 120.01 1jxo h GLU 618 Ca 0.28 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1jxo h GLU 618 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1jxo h GLU 618 CO -0.26 0.36 -0.03 0.28 -1.00 0.00 0.00 179.01 178.35 1jxo h VAL 619 N 0.56 1.27 -0.44 3.13 2.07 -1.24 -1.38 116.25 120.21 1jxo h VAL 619 Ca 0.26 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1jxo h VAL 619 Cb 0.17 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1jxo h VAL 619 CO -0.18 0.36 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1jxo h ALA 620 N 0.86 1.33 0.00 1.67 0.00 -0.52 -2.40 119.26 120.20 1jxo h ALA 620 Ca 0.11 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1jxo h ALA 620 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jxo h ALA 620 CO 0.03 0.47 -0.86 1.05 0.00 0.00 0.00 179.25 179.94 1jxo h GLU 621 N 0.65 0.10 0.00 0.00 4.11 -0.34 -1.18 114.58 117.92 1jxo h GLU 621 Ca 0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1jxo h GLU 621 Cb 0.28 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1jxo h GLU 621 CO 0.00 0.89 0.00 0.00 0.07 0.00 0.00 179.01 179.97 1jxo n GLN 622 N -3.61 0.07 -0.02 1.06 0.00 -0.53 -4.84 117.38 109.51 1jxo n GLN 622 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 57.00 57.25 1jxo n GLN 622 Cb 0.80 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.54 1jxo n GLN 622 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jxo n GLY 623 N -0.49 0.96 3.30 2.61 0.00 -1.06 -5.09 105.19 105.42 1jxo n GLY 623 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1jxo n GLY 623 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxo s LYS 624 N -0.98 1.19 -0.02 1.61 -2.85 -1.12 -4.77 119.74 112.79 1jxo s LYS 624 Ca 0.00 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.37 1jxo s LYS 624 Cb 0.00 -1.28 -0.05 0.00 -2.06 0.00 0.00 37.83 34.44 1jxo s LYS 624 CO 0.00 0.27 1.40 -1.01 0.10 0.00 0.00 175.35 176.11 1jxo s HIS 625 N -1.78 2.78 -0.36 1.78 3.76 -0.15 -3.82 115.29 117.50 1jxo s HIS 625 Ca 0.12 0.80 -0.24 0.00 -0.15 0.00 0.00 55.06 55.59 1jxo s HIS 625 Cb -0.07 -3.66 0.01 0.00 1.11 0.00 0.00 32.58 29.97 1jxo s HIS 625 CO 0.05 -2.45 0.81 0.00 -0.85 0.00 0.00 174.74 172.30 1jxo s ILE 627 N 3.15 3.76 -0.17 0.00 -1.09 0.05 -0.43 121.20 126.47 1jxo s ILE 627 Ca 0.32 0.68 -0.14 0.00 -2.23 0.00 0.00 60.65 59.29 1jxo s ILE 627 Cb -0.13 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1jxo s ILE 627 CO 0.17 -1.01 0.28 -0.76 -1.23 0.00 0.00 174.94 172.39 1jxo s LEU 628 N 6.18 4.22 -1.02 2.97 1.43 0.13 -4.65 118.68 127.94 1jxo s LEU 628 Ca 0.57 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1jxo s LEU 628 Cb -0.12 -2.35 0.30 0.00 0.03 0.00 0.00 46.19 44.05 1jxo s LEU 628 CO 0.27 0.08 1.40 -0.67 0.23 0.00 0.00 176.35 177.66 1jxo n ASP 629 N 3.73 6.11 -4.28 2.29 4.64 -1.26 -4.40 116.55 123.37 1jxo n ASP 629 Ca -0.12 -3.43 -0.18 0.00 -1.38 0.00 0.00 54.79 49.67 1jxo n ASP 629 Cb 0.52 -1.18 -0.10 0.00 -1.04 0.00 0.00 41.12 39.31 1jxo n ASP 629 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1jxo s VAL 630 N -2.83 0.65 0.72 5.18 -7.23 -1.26 -5.15 120.40 110.48 1jxo s VAL 630 Ca 0.33 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 1jxo s VAL 630 Cb 0.07 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1jxo s VAL 630 CO 0.09 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 175.04 1jxo s SER 631 N -3.38 5.29 0.64 4.85 1.04 -1.26 -4.91 113.70 115.97 1jxo s SER 631 Ca 0.36 1.06 0.38 0.00 0.48 0.00 0.00 55.95 58.24 1jxo s SER 631 Cb 0.07 -1.81 2.18 0.00 0.10 0.00 0.00 66.02 66.57 1jxo s SER 631 CO 0.15 -1.43 2.33 0.00 0.98 0.00 0.00 173.24 175.27 1jxo h ALA 632 N -0.71 1.23 -0.07 5.32 0.00 -1.99 -1.24 119.26 121.80 1jxo h ALA 632 Ca -0.45 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1jxo h ALA 632 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jxo h ALA 632 CO 0.64 -0.00 0.07 -0.91 0.00 0.00 0.00 179.25 179.05 1jxo h ASN 633 N 0.00 0.00 0.80 0.00 2.35 -1.96 -0.89 115.58 115.88 1jxo h ASN 633 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jxo h ASN 633 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1jxo h ASN 633 CO -0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.69 1jxo h ALA 634 N 1.93 1.05 0.17 -0.83 0.00 -1.46 -3.28 119.26 116.85 1jxo h ALA 634 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jxo h ALA 634 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jxo h ALA 634 CO -0.00 0.11 -0.22 0.28 0.00 0.00 0.00 179.25 179.42 1jxo h VAL 635 N 0.00 0.51 -0.78 0.00 2.07 -1.34 -0.68 116.25 116.04 1jxo h VAL 635 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1jxo h VAL 635 Cb 0.51 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1jxo h VAL 635 CO 0.01 0.00 0.51 0.03 0.02 0.00 0.00 177.57 178.14 1jxo h ARG 636 N -0.45 0.96 -0.45 1.57 2.47 -1.75 -0.60 114.38 116.13 1jxo h ARG 636 Ca 0.01 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1jxo h ARG 636 Cb 0.44 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1jxo h ARG 636 CO -0.08 0.64 0.26 0.00 0.56 0.00 0.00 179.97 181.35 1jxo h ARG 637 N 0.99 0.52 -0.41 0.04 2.47 -1.48 -1.32 114.38 115.19 1jxo h ARG 637 Ca 0.30 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.84 1jxo h ARG 637 Cb -0.02 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1jxo h ARG 637 CO -0.08 0.34 -0.32 -0.07 0.56 0.00 0.00 179.97 180.41 1jxo h LEU 638 N 0.53 0.98 -0.79 3.04 3.38 -0.46 -2.73 115.31 119.26 1jxo h LEU 638 Ca 0.18 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1jxo h LEU 638 Cb 0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1jxo h LEU 638 CO -0.09 1.22 0.50 1.56 0.09 0.00 0.00 178.44 181.73 1jxo h GLN 639 N 0.76 0.95 -0.02 1.13 4.20 -0.82 -0.02 115.11 121.29 1jxo h GLN 639 Ca 0.08 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1jxo h GLN 639 Cb 0.91 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1jxo h GLN 639 CO 0.08 0.63 -0.22 0.00 -0.67 0.00 0.00 178.83 178.66 1jxo h ALA 640 N 1.34 1.60 -0.18 3.87 0.00 -1.14 -0.49 119.26 124.25 1jxo h ALA 640 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jxo h ALA 640 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jxo h ALA 640 CO -0.12 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1jxo n ALA 641 N -2.50 2.50 -2.67 0.00 0.00 -0.37 -4.90 120.51 112.58 1jxo n ALA 641 Ca -0.02 -0.42 -0.19 0.00 0.00 0.00 0.00 53.44 52.80 1jxo n ALA 641 Cb 0.28 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1jxo n ALA 641 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxo n HIS 642 N 0.12 -1.36 -3.36 0.00 -0.00 -0.19 -4.93 115.22 105.50 1jxo n HIS 642 Ca 0.12 0.25 -0.27 0.00 -0.00 0.00 0.00 57.72 57.83 1jxo n HIS 642 Cb 0.23 -3.92 -0.08 0.00 -0.00 0.00 0.00 29.99 26.23 1jxo n HIS 642 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jxo n LEU 643 N -3.19 3.51 -4.51 2.41 4.77 -0.16 -5.02 117.00 114.81 1jxo n LEU 643 Ca -0.16 -5.40 -0.41 0.00 -0.03 0.00 0.00 56.01 50.01 1jxo n LEU 643 Cb 0.64 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1jxo n LEU 643 CO 0.35 2.09 2.04 1.41 -1.33 0.00 0.00 177.39 181.94 1jxo n HIS 644 N 0.79 1.22 -1.78 -1.77 8.25 -1.26 -4.40 115.22 116.28 1jxo n HIS 644 Ca 0.29 0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 57.67 1jxo n HIS 644 Cb 0.42 -2.54 0.05 0.00 1.12 0.00 0.00 29.99 29.03 1jxo n HIS 644 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jxo s PRO 645 N 8.02 2.87 -0.48 -0.41 0.04 -1.26 -4.31 135.00 139.46 1jxo s PRO 645 Ca 1.12 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1jxo s PRO 645 Cb -0.64 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 31.99 1jxo s PRO 645 CO 0.38 -1.06 0.39 0.42 0.04 0.00 0.00 177.00 177.17 1jxo s ILE 646 N -3.25 4.86 -0.42 0.56 1.01 0.39 -4.91 121.20 119.44 1jxo s ILE 646 Ca 0.58 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1jxo s ILE 646 Cb -0.12 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1jxo s ILE 646 CO 0.53 -0.68 0.57 0.00 0.00 0.00 0.00 174.94 175.36 1jxo s ALA 647 N 1.54 3.39 -0.27 9.38 0.00 -1.26 -1.04 121.76 133.50 1jxo s ALA 647 Ca 0.04 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 1jxo s ALA 647 Cb -0.26 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1jxo s ALA 647 CO 0.03 -1.64 0.04 0.42 0.00 0.00 0.00 175.76 174.62 1jxo s ILE 648 N 2.58 3.80 -0.22 0.00 1.01 0.42 -0.03 121.20 128.76 1jxo s ILE 648 Ca 0.19 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1jxo s ILE 648 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1jxo s ILE 648 CO 0.17 0.19 0.27 0.12 0.00 0.00 0.00 174.94 175.69 1jxo s PHE 649 N 1.50 3.34 -0.41 3.97 5.36 -0.53 0.46 117.98 131.66 1jxo s PHE 649 Ca 0.03 0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 56.23 1jxo s PHE 649 Cb -0.16 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.14 1jxo s PHE 649 CO 0.01 0.03 0.49 0.42 -1.46 0.00 0.00 175.22 174.71 1jxo s ILE 650 N 1.19 5.02 -0.27 3.12 1.01 0.12 0.07 121.20 131.45 1jxo s ILE 650 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1jxo s ILE 650 Cb -0.14 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1jxo s ILE 650 CO 0.06 -0.42 0.21 -0.60 0.00 0.00 0.00 174.94 174.18 1jxo s ARG 651 N 2.32 3.97 0.21 2.79 3.52 0.10 -4.12 118.95 127.74 1jxo s ARG 651 Ca 0.15 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 1jxo s ARG 651 Cb -0.16 -3.64 -0.09 0.00 -1.56 0.00 0.00 34.95 29.50 1jxo s ARG 651 CO 0.15 -0.16 1.26 -2.14 -0.81 0.00 0.00 175.30 173.60 1jxo s PRO 652 N 1.70 4.44 0.42 5.12 0.02 -1.26 -4.59 135.00 140.85 1jxo s PRO 652 Ca 0.08 1.99 0.26 0.00 0.02 0.00 0.00 61.00 63.35 1jxo s PRO 652 Cb -0.16 -3.20 0.75 0.00 0.02 0.00 0.00 34.50 31.91 1jxo s PRO 652 CO 0.10 -0.16 1.75 0.00 -0.33 0.00 0.00 177.00 178.35 1jxo h ARG 653 N 5.09 0.00 -1.78 5.54 3.08 -1.89 -3.48 114.38 120.93 1jxo h ARG 653 Ca -0.45 0.00 0.39 0.00 0.07 0.00 0.00 59.98 59.99 1jxo h ARG 653 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 1jxo h ARG 653 CO 0.75 0.00 0.98 -1.54 -1.07 0.00 0.00 179.97 179.09 1jxo s SER 654 N -5.64 -0.00 0.20 7.04 1.04 -1.26 -4.93 113.70 110.15 1jxo s SER 654 Ca 0.06 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 1jxo s SER 654 Cb 0.08 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.36 1jxo s SER 654 CO 0.60 -0.09 1.76 0.25 0.98 0.00 0.00 173.24 176.74 1jxo h LEU 655 N 2.00 0.98 -0.96 2.42 5.85 -1.93 -1.80 115.31 121.86 1jxo h LEU 655 Ca -0.24 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1jxo h LEU 655 Cb 1.18 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1jxo h LEU 655 CO 0.30 0.88 0.15 -0.33 -0.34 0.00 0.00 178.44 179.10 1jxo h GLU 656 N 1.01 0.90 -0.40 1.25 3.07 -1.97 -2.61 114.58 115.84 1jxo h GLU 656 Ca 0.24 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1jxo h GLU 656 Cb 0.21 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1jxo h GLU 656 CO -0.02 0.80 0.09 -0.97 -1.40 0.00 0.00 179.01 177.51 1jxo h ASN 657 N 0.87 0.55 -0.68 1.42 -0.00 -1.71 -2.50 115.58 113.53 1jxo h ASN 657 Ca 0.19 -0.08 0.02 0.00 -0.00 0.00 0.00 56.30 56.43 1jxo h ASN 657 Cb 0.30 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.44 1jxo h ASN 657 CO -0.00 0.56 0.43 0.58 -0.00 0.00 0.00 177.43 179.00 1jxo h VAL 658 N 0.59 1.13 0.00 2.57 2.07 -0.98 -0.62 116.25 121.00 1jxo h VAL 658 Ca 0.13 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1jxo h VAL 658 Cb 0.23 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1jxo h VAL 658 CO -0.00 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 1jxo h LEU 659 N 0.86 0.00 0.00 2.57 3.38 -1.45 0.83 115.31 121.50 1jxo h LEU 659 Ca 0.26 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 1jxo h LEU 659 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1jxo h LEU 659 CO -0.08 0.00 -1.28 1.05 0.09 0.00 0.00 178.44 178.21 1jxo h GLU 660 N 0.00 0.00 0.00 1.13 4.11 -0.83 -3.33 114.58 115.66 1jxo h GLU 660 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1jxo h GLU 660 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jxo h GLU 660 CO 0.00 0.49 -1.15 0.44 0.07 0.00 0.00 179.01 178.86 1jxo n ILE 661 N -3.06 0.61 -3.74 -1.06 -5.35 -0.37 -4.31 119.36 102.07 1jxo n ILE 661 Ca -0.08 -0.56 -0.30 0.00 -0.27 0.00 0.00 62.75 61.54 1jxo n ILE 661 Cb 0.90 -0.34 -0.14 0.00 -1.74 0.00 0.00 39.64 38.32 1jxo n ILE 661 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jxo s ASN 662 N -5.31 3.87 -0.07 7.28 3.84 0.27 -3.64 114.94 121.18 1jxo s ASN 662 Ca -0.02 -2.25 0.05 0.00 0.21 0.00 0.00 52.86 50.86 1jxo s ASN 662 Cb 0.10 -1.02 0.29 0.00 -0.55 0.00 0.00 41.25 40.06 1jxo s ASN 662 CO 0.81 -0.33 0.99 2.29 -2.79 0.00 0.00 177.10 178.07 1jxo n LYS 663 N 4.05 2.31 -0.10 0.43 -0.00 -1.25 -4.08 118.16 119.51 1jxo n LYS 663 Ca 0.05 -1.12 0.08 0.00 -0.00 0.00 0.00 58.31 57.32 1jxo n LYS 663 Cb 0.38 -1.70 0.13 0.00 -0.00 0.00 0.00 35.03 33.84 1jxo n LYS 663 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1jxo n ARG 664 N 0.23 1.76 -4.35 -1.58 0.00 -1.26 -5.04 116.66 106.43 1jxo n ARG 664 Ca 0.10 -2.42 -0.18 0.00 -0.00 0.00 0.00 57.85 55.35 1jxo n ARG 664 Cb 0.54 -1.45 -0.10 0.00 -0.00 0.00 0.00 32.46 31.45 1jxo n ARG 664 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1jxo s ILE 665 N -2.53 1.06 0.87 8.89 -4.36 -1.26 -5.16 121.20 118.71 1jxo s ILE 665 Ca 0.28 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 1jxo s ILE 665 Cb 0.24 -2.43 0.15 0.00 1.25 0.00 0.00 42.46 41.67 1jxo s ILE 665 CO 0.03 -0.26 1.22 0.42 0.24 0.00 0.00 174.94 176.60 1jxo s THR 666 N -3.40 2.05 0.17 8.37 -4.23 -1.26 -4.90 115.64 112.43 1jxo s THR 666 Ca 0.30 -0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 1jxo s THR 666 Cb 0.06 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.99 1jxo s THR 666 CO 0.10 0.00 1.60 1.05 -0.54 0.00 0.00 174.62 176.83 1jxo h GLU 667 N -1.27 1.04 -0.65 3.99 9.09 -2.01 -2.02 114.58 122.75 1jxo h GLU 667 Ca -0.44 -0.37 -0.08 0.00 0.05 0.00 0.00 59.36 58.52 1jxo h GLU 667 Cb 1.27 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 1jxo h GLU 667 CO 0.47 1.07 0.11 1.49 0.05 0.00 0.00 179.01 182.19 1jxo h GLU 668 N 0.92 1.07 -0.70 1.06 4.57 -1.99 -1.32 114.58 118.19 1jxo h GLU 668 Ca 0.15 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 1jxo h GLU 668 Cb 0.65 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1jxo h GLU 668 CO 0.04 0.98 0.16 1.96 -1.18 0.00 0.00 179.01 180.98 1jxo h GLN 669 N 1.00 1.13 -0.76 1.92 4.20 -1.90 -1.82 115.11 118.88 1jxo h GLN 669 Ca 0.20 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1jxo h GLN 669 Cb 0.42 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1jxo h GLN 669 CO 0.01 1.00 0.29 0.00 -0.67 0.00 0.00 178.83 179.46 1jxo h ALA 670 N 1.08 1.08 -0.37 3.87 0.00 -0.96 0.18 119.26 124.14 1jxo h ALA 670 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1jxo h ALA 670 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jxo h ALA 670 CO 0.00 0.65 0.04 0.07 0.00 0.00 0.00 179.25 180.01 1jxo h ARG 671 N 1.11 0.63 -0.82 0.00 -0.00 -1.00 0.17 114.38 114.47 1jxo h ARG 671 Ca 0.25 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.98 60.01 1jxo h ARG 671 Cb 0.22 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.97 30.09 1jxo h ARG 671 CO -0.02 0.71 0.35 1.57 -0.00 0.00 0.00 179.97 182.58 1jxo h LYS 672 N 0.46 1.21 -0.22 0.08 5.09 -0.96 -1.08 116.57 121.15 1jxo h LYS 672 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.63 1jxo h LYS 672 Cb 0.40 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 32.52 1jxo h LYS 672 CO 0.01 0.96 0.08 0.00 -2.09 0.00 0.00 179.45 178.41 1jxo h ALA 673 N 1.19 0.28 -0.61 0.07 0.00 -0.26 -0.75 119.26 119.17 1jxo h ALA 673 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jxo h ALA 673 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jxo h ALA 673 CO -0.03 -0.11 0.37 0.35 0.00 0.00 0.00 179.25 179.83 1jxo h PHE 674 N 0.19 0.68 -0.40 0.00 3.57 -0.34 0.11 116.94 120.74 1jxo h PHE 674 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1jxo h PHE 674 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1jxo h PHE 674 CO -0.01 0.37 0.14 -0.44 -2.23 0.00 0.00 178.31 176.14 1jxo h ASP 675 N 0.71 0.58 0.09 0.41 3.32 -1.04 -0.30 116.42 120.19 1jxo h ASP 675 Ca 0.26 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1jxo h ASP 675 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1jxo h ASP 675 CO -0.12 0.62 -0.24 0.03 -1.72 0.00 0.00 179.24 177.81 1jxo h ARG 676 N 0.51 0.25 -0.34 3.56 3.08 -0.63 -2.07 114.38 118.75 1jxo h ARG 676 Ca 0.13 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1jxo h ARG 676 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1jxo h ARG 676 CO -0.01 0.48 -0.15 0.00 -1.07 0.00 0.00 179.97 179.23 1jxo h ALA 677 N 1.53 0.47 -0.63 0.04 0.00 -0.40 -1.22 119.26 119.05 1jxo h ALA 677 Ca 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jxo h ALA 677 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jxo h ALA 677 CO 0.04 0.37 0.42 1.15 0.00 0.00 0.00 179.25 181.23 1jxo h THR 678 N 0.47 1.15 0.00 0.00 2.02 -0.74 -0.63 112.91 115.18 1jxo h THR 678 Ca 0.08 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1jxo h THR 678 Cb 0.67 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1jxo h THR 678 CO 0.05 0.16 -0.47 0.11 0.37 0.00 0.00 175.52 175.73 1jxo h LYS 679 N 0.85 0.00 -0.25 6.66 1.57 -1.33 -1.78 116.57 122.29 1jxo h LYS 679 Ca 0.23 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1jxo h LYS 679 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1jxo h LYS 679 CO -0.06 0.47 -0.25 1.25 -0.57 0.00 0.00 179.45 180.30 1jxo h LEU 680 N 0.00 0.65 -0.51 2.94 5.85 -0.49 -2.57 115.31 121.19 1jxo h LEU 680 Ca -0.00 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 1jxo h LEU 680 Cb 0.99 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1jxo h LEU 680 CO 0.06 0.99 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.90 1jxo h GLU 681 N 0.32 1.02 -1.01 1.25 4.81 -1.00 -0.77 114.58 119.20 1jxo h GLU 681 Ca 0.04 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1jxo h GLU 681 Cb 0.80 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1jxo h GLU 681 CO 0.06 1.10 0.66 1.96 -0.73 0.00 0.00 179.01 182.06 1jxo h GLN 682 N 0.88 1.29 0.03 1.92 4.20 -1.30 -3.03 115.11 119.10 1jxo h GLN 682 Ca 0.12 -0.08 -0.32 0.00 0.06 0.00 0.00 58.65 58.44 1jxo h GLN 682 Cb 0.75 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1jxo h GLN 682 CO 0.06 0.85 -1.87 -1.91 -0.67 0.00 0.00 178.83 175.29 1jxo n GLU 683 N -4.40 0.67 -0.14 1.46 2.13 -0.97 -4.64 120.64 114.74 1jxo n GLU 683 Ca 0.13 0.25 0.05 0.00 0.66 0.00 0.00 57.16 58.24 1jxo n GLU 683 Cb 0.04 -1.74 0.11 0.00 0.27 0.00 0.00 31.44 30.13 1jxo n GLU 683 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1jxo n PHE 684 N -3.12 0.31 -0.32 4.31 3.01 -0.30 -4.81 117.46 116.55 1jxo n PHE 684 Ca -0.23 -0.62 0.16 0.00 1.01 0.00 0.00 57.45 57.77 1jxo n PHE 684 Cb 1.06 -0.09 0.36 0.00 -0.01 0.00 0.00 39.48 40.79 1jxo n PHE 684 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxo h THR 685 N 1.01 0.38 0.00 4.37 2.02 -1.71 0.63 112.91 119.62 1jxo h THR 685 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jxo h THR 685 Cb 0.79 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1jxo h THR 685 CO 0.03 0.06 -0.04 -0.33 0.37 0.00 0.00 175.52 175.62 1jxo h GLU 686 N 0.34 0.00 0.00 6.66 3.07 -1.90 -2.12 114.58 120.63 1jxo h GLU 686 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1jxo h GLU 686 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1jxo h GLU 686 CO -0.58 0.04 -0.07 0.00 -1.40 0.00 0.00 179.01 176.99 1jxo s PHE 688 N -3.14 3.57 -0.00 0.00 2.99 -0.80 -4.65 117.98 115.95 1jxo s PHE 688 Ca 0.09 1.64 0.11 0.00 0.00 0.00 0.00 56.93 58.77 1jxo s PHE 688 Cb 0.10 -3.30 -0.23 0.00 0.00 0.00 0.00 43.02 39.60 1jxo s PHE 688 CO 0.63 -0.63 0.81 0.77 -0.00 0.00 0.00 175.22 176.80 1jxo h SER 689 N 4.40 0.00 -5.00 1.36 0.02 -0.77 -3.48 113.55 110.08 1jxo h SER 689 Ca -0.46 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1jxo h SER 689 Cb 1.21 -0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 1jxo h SER 689 CO 0.70 1.01 0.19 0.00 -1.14 0.00 0.00 176.83 177.58 1jxo s ALA 690 N -2.63 -1.60 -0.10 3.77 0.00 -1.06 -4.59 121.76 115.56 1jxo s ALA 690 Ca -0.03 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1jxo s ALA 690 Cb 0.08 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1jxo s ALA 690 CO 0.82 -0.66 -0.20 0.42 0.00 0.00 0.00 175.76 176.14 1jxo s ILE 691 N -3.12 1.79 -0.03 0.00 1.01 -1.26 -1.46 121.20 118.13 1jxo s ILE 691 Ca -0.02 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1jxo s ILE 691 Cb -0.01 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1jxo s ILE 691 CO -0.07 0.50 -0.23 -0.69 0.00 0.00 0.00 174.94 174.45 1jxo s VAL 692 N 0.58 2.30 0.19 2.92 1.01 0.11 -4.97 120.40 122.54 1jxo s VAL 692 Ca -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1jxo s VAL 692 Cb -0.17 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1jxo s VAL 692 CO 0.05 0.58 0.00 -1.61 0.00 0.00 0.00 175.10 174.12 1jxo s GLU 693 N -0.63 1.19 -0.07 2.72 2.02 -1.26 -0.72 118.70 121.95 1jxo s GLU 693 Ca 0.10 -1.59 -0.32 0.00 0.02 0.00 0.00 54.97 53.18 1jxo s GLU 693 Cb -0.10 -0.38 0.13 0.00 0.10 0.00 0.00 34.13 33.88 1jxo s GLU 693 CO -0.01 -0.12 1.35 0.20 0.02 0.00 0.00 175.26 176.70 1jxo s GLY 694 N -3.22 -0.43 0.00 -1.39 0.00 -1.26 -4.63 107.32 96.39 1jxo s GLY 694 Ca 0.26 0.91 0.22 0.00 0.00 0.00 0.00 44.72 46.11 1jxo s GLY 694 CO 0.06 0.19 1.22 1.22 0.00 0.00 0.00 173.10 175.79 1jxo n ASP 695 N -0.45 2.90 -3.50 1.64 8.00 -1.26 -4.83 116.55 119.06 1jxo n ASP 695 Ca -0.08 -1.92 -0.09 0.00 0.71 0.00 0.00 54.79 53.40 1jxo n ASP 695 Cb 0.63 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1jxo n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jxo s SER 696 N -1.78 -0.43 0.18 -2.24 1.04 -1.26 -4.50 113.70 104.71 1jxo s SER 696 Ca 0.27 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1jxo s SER 696 Cb 0.19 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.89 1jxo s SER 696 CO 0.28 -0.79 1.77 0.15 0.98 0.00 0.00 173.24 175.64 1jxo h PHE 697 N 2.00 0.93 -0.72 5.02 3.57 -1.76 -2.42 116.94 123.57 1jxo h PHE 697 Ca -0.26 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.34 1jxo h PHE 697 Cb 1.27 -0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 1jxo h PHE 697 CO 0.26 0.70 0.19 0.93 -2.23 0.00 0.00 178.31 178.16 1jxo h GLU 698 N 0.90 0.29 -0.55 1.11 3.07 -1.96 0.68 114.58 118.10 1jxo h GLU 698 Ca 0.22 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1jxo h GLU 698 Cb 0.12 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1jxo h GLU 698 CO -0.03 0.19 -0.07 1.49 -1.40 0.00 0.00 179.01 179.19 1jxo h GLU 699 N 0.30 1.03 -0.43 2.33 4.81 -1.90 0.15 114.58 120.86 1jxo h GLU 699 Ca 0.40 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1jxo h GLU 699 Cb 0.66 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1jxo h GLU 699 CO -0.48 1.05 -0.16 0.82 -0.73 0.00 0.00 179.01 179.52 1jxo h ILE 700 N 0.91 1.26 -0.40 2.32 2.04 -0.52 -1.58 117.51 121.54 1jxo h ILE 700 Ca 0.15 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 1jxo h ILE 700 Cb 0.63 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1jxo h ILE 700 CO 0.04 0.43 -0.10 0.22 0.00 0.00 0.00 178.15 178.74 1jxo h TYR 701 N 0.72 0.87 -0.36 1.37 3.20 0.51 -0.12 116.97 123.15 1jxo h TYR 701 Ca 0.11 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1jxo h TYR 701 Cb 0.66 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1jxo h TYR 701 CO 0.04 0.90 0.21 1.25 -1.64 0.00 0.00 178.16 178.92 1jxo h HIS 702 N 0.58 0.39 -0.42 -3.82 2.76 -0.77 -1.96 115.15 111.91 1jxo h HIS 702 Ca 0.10 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 1jxo h HIS 702 Cb 0.62 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1jxo h HIS 702 CO 0.05 0.23 -0.06 0.87 -1.30 0.00 0.00 177.93 177.71 1jxo h LYS 703 N 0.42 0.72 -0.63 5.26 1.57 -1.09 -2.12 116.57 120.71 1jxo h LYS 703 Ca 0.15 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1jxo h LYS 703 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1jxo h LYS 703 CO -0.07 0.78 0.40 0.28 -0.57 0.00 0.00 179.45 180.27 1jxo h VAL 704 N 0.67 1.12 -0.27 0.50 2.07 -0.55 0.90 116.25 120.68 1jxo h VAL 704 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1jxo h VAL 704 Cb 0.50 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1jxo h VAL 704 CO 0.03 0.15 0.14 0.11 0.02 0.00 0.00 177.57 178.02 1jxo h LYS 705 N 0.81 0.39 -0.90 1.57 1.57 -1.06 -1.62 116.57 117.33 1jxo h LYS 705 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1jxo h LYS 705 Cb -0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1jxo h LYS 705 CO -0.08 0.36 0.54 0.00 -0.57 0.00 0.00 179.45 179.70 1jxo h ARG 706 N 0.32 1.23 -0.62 3.15 2.47 -0.92 -1.69 114.38 118.33 1jxo h ARG 706 Ca 0.10 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 1jxo h ARG 706 Cb 0.09 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 1jxo h ARG 706 CO -0.01 0.87 0.22 0.28 0.56 0.00 0.00 179.97 181.89 1jxo h VAL 707 N 1.25 1.24 -0.21 2.04 2.07 -0.58 -0.67 116.25 121.39 1jxo h VAL 707 Ca 0.32 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1jxo h VAL 707 Cb -0.04 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1jxo h VAL 707 CO -0.06 0.30 0.12 0.40 0.02 0.00 0.00 177.57 178.36 1jxo h ILE 708 N 0.87 1.09 0.09 4.57 2.04 -0.86 -1.87 117.51 123.45 1jxo h ILE 708 Ca 0.20 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jxo h ILE 708 Cb 0.25 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1jxo h ILE 708 CO -0.01 0.09 -0.05 -0.08 0.00 0.00 0.00 178.15 178.10 1jxo h GLU 709 N 0.25 -0.12 -0.79 2.37 4.81 -1.18 -1.78 114.58 118.14 1jxo h GLU 709 Ca 0.08 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1jxo h GLU 709 Cb 0.04 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1jxo h GLU 709 CO -0.01 -0.08 0.52 0.22 -0.73 0.00 0.00 179.01 178.92 1jxo h ASP 710 N -0.13 0.52 -0.48 1.04 -0.00 -0.96 -2.39 116.42 114.02 1jxo h ASP 710 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1jxo h ASP 710 Cb 0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.35 1jxo h ASP 710 CO 0.02 0.28 0.00 0.18 -0.00 0.00 0.00 179.24 179.72 1jxo n LEU 711 N -4.51 4.30 -1.42 2.28 4.77 -0.72 -4.59 117.00 117.13 1jxo n LEU 711 Ca 0.14 -2.56 -0.08 0.00 -0.03 0.00 0.00 56.01 53.48 1jxo n LEU 711 Cb 0.45 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 1jxo n LEU 711 CO 0.32 0.74 0.84 -1.54 -1.33 0.00 0.00 177.39 176.42 1jxo n SER 712 N 0.53 2.98 -4.50 -1.43 3.41 -0.70 -4.96 113.62 108.96 1jxo n SER 712 Ca 0.22 -3.65 -0.26 0.00 -0.26 0.00 0.00 58.87 54.92 1jxo n SER 712 Cb 0.84 -0.68 0.13 0.00 -0.26 0.00 0.00 64.21 64.24 1jxo n SER 712 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jxo s GLY 713 N -2.14 1.76 0.55 5.00 0.00 -1.26 -4.94 107.32 106.30 1jxo s GLY 713 Ca 0.48 -1.53 0.34 0.00 0.00 0.00 0.00 44.72 44.00 1jxo s GLY 713 CO 0.04 -0.90 1.99 -0.56 0.00 0.00 0.00 173.10 173.66 1jxo h PRO 714 N -0.91 0.00 -5.32 2.90 0.13 -1.95 -3.42 132.00 123.43 1jxo h PRO 714 Ca -0.39 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.07 1jxo h PRO 714 Cb 1.26 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 1jxo h PRO 714 CO 0.40 0.00 -0.83 0.71 -0.23 0.00 0.00 178.00 178.05 1jxo s TYR 715 N -3.67 2.67 0.09 1.56 1.51 -1.26 0.80 117.35 119.05 1jxo s TYR 715 Ca 0.01 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1jxo s TYR 715 Cb 0.09 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1jxo s TYR 715 CO 0.54 -0.34 -0.06 0.96 -1.11 0.00 0.00 175.55 175.54 1jxo s ILE 716 N 0.38 0.60 -0.06 2.71 -4.36 0.01 -4.93 121.20 115.55 1jxo s ILE 716 Ca -0.15 -1.87 -0.16 0.00 -0.26 0.00 0.00 60.65 58.21 1jxo s ILE 716 Cb -0.17 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 1jxo s ILE 716 CO 0.07 -0.87 0.44 0.26 0.24 0.00 0.00 174.94 175.07 1jxo s TRP 717 N -3.56 3.61 0.07 1.37 0.52 -1.26 -0.67 118.94 119.03 1jxo s TRP 717 Ca 0.10 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.14 1jxo s TRP 717 Cb 0.05 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1jxo s TRP 717 CO -0.05 0.39 -0.05 0.14 0.02 0.00 0.00 176.95 177.40 1jxo s VAL 718 N -0.18 0.42 0.70 4.03 -7.23 0.46 -4.92 120.40 113.69 1jxo s VAL 718 Ca 0.24 -1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1jxo s VAL 718 Cb -0.16 -1.45 0.15 0.00 0.56 0.00 0.00 36.38 35.48 1jxo s VAL 718 CO 0.11 -0.88 0.34 -2.65 -0.31 0.00 0.00 175.10 171.71 1jxo n PRO 719 N 0.23 -1.58 -0.29 4.82 -0.02 -1.26 -0.18 135.00 136.71 1jxo n PRO 719 Ca -0.14 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1jxo n PRO 719 Cb 0.60 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1jxo n PRO 719 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48