#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xef s ILE 468 N 0.00 1.12 -0.06 0.53 1.01 0.08 0.10 121.20 123.98 1xef s ILE 468 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1xef s ILE 468 Cb 0.00 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1xef s ILE 468 CO 0.00 0.37 -0.13 -0.89 0.00 0.00 0.00 174.94 174.29 1xef s THR 469 N 1.24 1.20 -0.23 2.92 2.01 0.11 -0.23 115.64 122.65 1xef s THR 469 Ca -0.03 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1xef s THR 469 Cb -0.14 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1xef s THR 469 CO -0.03 0.36 0.04 -0.36 -0.69 0.00 0.00 174.62 173.94 1xef s PHE 470 N 0.49 3.07 -0.19 4.92 0.08 0.12 -0.73 117.98 125.73 1xef s PHE 470 Ca -0.12 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.47 1xef s PHE 470 Cb -0.14 -2.17 0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1xef s PHE 470 CO 0.03 -0.32 -0.10 0.50 -0.10 0.00 0.00 175.22 175.23 1xef s ARG 471 N 1.38 2.03 -1.57 0.44 3.52 -0.19 -1.44 118.95 123.11 1xef s ARG 471 Ca 0.05 -0.80 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 1xef s ARG 471 Cb -0.15 -2.37 0.09 0.00 -1.56 0.00 0.00 34.95 30.96 1xef s ARG 471 CO 0.02 -0.41 0.68 0.09 -0.81 0.00 0.00 175.30 174.87 1xef n ASN 472 N 4.70 -2.38 -4.67 -2.12 3.02 -1.16 -0.63 115.26 112.03 1xef n ASN 472 Ca -0.15 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.00 1xef n ASN 472 Cb 0.47 -3.03 -0.02 0.00 -0.61 0.00 0.00 39.78 36.58 1xef n ASN 472 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xef s ILE 473 N -3.55 4.12 -0.16 2.41 -1.09 -0.90 -3.00 121.20 119.03 1xef s ILE 473 Ca 0.45 1.40 0.01 0.00 -2.23 0.00 0.00 60.65 60.27 1xef s ILE 473 Cb -0.24 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 1xef s ILE 473 CO 0.90 -0.08 -0.16 -0.60 -1.23 0.00 0.00 174.94 173.76 1xef s ARG 474 N 3.14 2.54 -0.01 2.79 3.52 -0.04 -0.62 118.95 130.27 1xef s ARG 474 Ca 0.58 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 1xef s ARG 474 Cb -0.25 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 1xef s ARG 474 CO 0.19 -0.21 -0.09 0.12 -0.81 0.00 0.00 175.30 174.50 1xef s PHE 475 N 1.37 0.83 0.03 5.12 5.36 0.04 -1.93 117.98 128.81 1xef s PHE 475 Ca 0.04 -0.16 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1xef s PHE 475 Cb -0.13 -0.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 1xef s PHE 475 CO -0.11 -0.01 -0.03 -0.98 -1.46 0.00 0.00 175.22 172.63 1xef s ARG 476 N -0.24 0.45 -0.03 10.12 1.70 -1.26 0.44 118.95 130.12 1xef s ARG 476 Ca 0.03 -0.89 -0.24 0.00 -0.47 0.00 0.00 55.73 54.17 1xef s ARG 476 Cb -0.04 0.15 -0.22 0.00 -0.57 0.00 0.00 34.95 34.27 1xef s ARG 476 CO -0.00 -0.08 1.08 1.88 -1.08 0.00 0.00 175.30 177.10 1xef h TYR 477 N 3.97 0.30 -3.28 5.89 0.05 -1.87 -3.46 116.97 118.56 1xef h TYR 477 Ca -0.33 -0.15 -0.66 0.00 0.05 0.00 0.00 58.73 57.64 1xef h TYR 477 Cb 1.18 -0.04 -0.19 0.00 1.01 0.00 0.00 36.73 38.69 1xef h TYR 477 CO 0.60 0.92 -0.82 0.15 -1.05 0.00 0.00 178.16 177.96 1xef s LYS 478 N -3.31 1.56 0.32 4.88 3.01 -1.26 -4.98 119.74 119.96 1xef s LYS 478 Ca -0.15 -1.47 0.12 0.00 -1.01 0.00 0.00 55.97 53.45 1xef s LYS 478 Cb 0.02 -1.89 0.65 0.00 -1.01 0.00 0.00 37.83 35.60 1xef s LYS 478 CO 0.75 0.41 1.25 -0.35 0.51 0.00 0.00 175.35 177.91 1xef n PRO 479 N 0.34 0.08 -0.06 -1.68 -0.04 -1.26 -0.25 135.00 132.14 1xef n PRO 479 Ca -0.13 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1xef n PRO 479 Cb 0.55 -2.10 -0.16 0.00 -0.04 0.00 0.00 33.50 31.76 1xef n PRO 479 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xef n ASP 480 N -2.01 0.27 -4.64 3.54 8.00 -1.26 -5.02 116.55 115.42 1xef n ASP 480 Ca -0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 1xef n ASP 480 Cb 0.35 1.39 0.02 0.00 -0.02 0.00 0.00 41.12 42.86 1xef n ASP 480 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xef n SER 481 N -2.50 1.58 -4.73 -2.24 2.88 0.65 -4.99 113.62 104.27 1xef n SER 481 Ca -0.20 1.00 -0.33 0.00 -1.33 0.00 0.00 58.87 58.01 1xef n SER 481 Cb 0.88 -1.42 0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1xef n SER 481 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1xef s PRO 482 N -2.30 2.04 0.07 -1.46 0.04 -1.26 -4.80 135.00 127.33 1xef s PRO 482 Ca 0.66 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1xef s PRO 482 Cb -0.50 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 1xef s PRO 482 CO 0.54 -1.87 1.88 0.08 0.04 0.00 0.00 177.00 177.68 1xef s VAL 483 N -2.31 2.87 -0.23 -0.36 1.01 -1.26 -4.56 120.40 115.56 1xef s VAL 483 Ca 0.70 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 1xef s VAL 483 Cb -0.25 -3.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.92 1xef s VAL 483 CO 0.49 -0.01 -0.07 -0.38 0.00 0.00 0.00 175.10 175.13 1xef n ILE 484 N 5.20 1.53 -3.99 2.22 2.08 0.17 -4.85 119.36 121.71 1xef n ILE 484 Ca 0.19 -0.16 -0.35 0.00 0.56 0.00 0.00 62.75 62.99 1xef n ILE 484 Cb 0.40 -2.01 -0.13 0.00 -0.75 0.00 0.00 39.64 37.15 1xef n ILE 484 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1xef s LEU 485 N -7.74 3.11 -0.32 1.39 1.43 -0.55 -3.85 118.68 112.16 1xef s LEU 485 Ca -0.32 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1xef s LEU 485 Cb 0.09 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1xef s LEU 485 CO 0.52 0.02 0.04 -0.62 0.23 0.00 0.00 176.35 176.55 1xef s ASP 486 N 1.26 5.06 -1.19 2.29 -1.08 -0.47 -0.78 116.67 121.75 1xef s ASP 486 Ca 0.03 -1.25 -0.33 0.00 -0.52 0.00 0.00 52.55 50.48 1xef s ASP 486 Cb -0.15 -1.77 0.05 0.00 -1.46 0.00 0.00 42.92 39.59 1xef s ASP 486 CO 0.00 -0.29 0.68 -3.20 0.52 0.00 0.00 175.17 172.87 1xef n ASN 487 N 4.69 -4.17 -4.76 -0.34 4.05 0.21 -4.68 115.26 110.26 1xef n ASN 487 Ca -0.13 -1.29 -0.38 0.00 0.45 0.00 0.00 54.58 53.24 1xef n ASN 487 Cb 0.44 -1.62 -0.06 0.00 1.23 0.00 0.00 39.78 39.77 1xef n ASN 487 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1xef s ILE 488 N -3.49 5.09 -0.08 -1.44 -5.25 -0.79 -4.73 121.20 110.51 1xef s ILE 488 Ca 0.46 0.96 0.02 0.00 -0.99 0.00 0.00 60.65 61.11 1xef s ILE 488 Cb -0.26 -3.80 0.01 0.00 2.95 0.00 0.00 42.46 41.36 1xef s ILE 488 CO 0.97 0.42 -0.14 0.20 -1.79 0.00 0.00 174.94 174.60 1xef s ASN 489 N -0.01 2.08 -0.27 4.36 0.01 -1.26 -2.13 114.94 117.73 1xef s ASN 489 Ca 0.26 -0.36 -0.20 0.00 -0.71 0.00 0.00 52.86 51.85 1xef s ASN 489 Cb -0.16 -0.95 0.07 0.00 0.41 0.00 0.00 41.25 40.62 1xef s ASN 489 CO 0.12 0.04 0.68 -0.22 -1.51 0.00 0.00 177.10 176.22 1xef s LEU 490 N 0.70 -0.77 -0.19 0.60 2.96 -0.52 -4.96 118.68 116.50 1xef s LEU 490 Ca -0.13 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1xef s LEU 490 Cb -0.16 2.35 0.03 0.00 0.50 0.00 0.00 46.19 48.91 1xef s LEU 490 CO 0.03 -0.24 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.21 1xef s SER 491 N 0.97 3.36 -0.32 3.68 0.01 -1.26 0.14 113.70 120.29 1xef s SER 491 Ca -0.05 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 1xef s SER 491 Cb -0.05 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.75 1xef s SER 491 CO -0.09 -0.04 0.06 -0.63 0.41 0.00 0.00 173.24 172.95 1xef s ILE 492 N 1.27 3.54 0.24 1.44 1.01 0.68 -4.98 121.20 124.41 1xef s ILE 492 Ca 0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 1xef s ILE 492 Cb -0.14 -2.98 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 1xef s ILE 492 CO -0.11 -0.10 0.64 -1.59 0.00 0.00 0.00 174.94 173.78 1xef s LYS 493 N 1.37 4.00 0.17 2.79 -2.85 -1.26 -0.74 119.74 123.22 1xef s LYS 493 Ca -0.02 0.57 -0.34 0.00 -1.00 0.00 0.00 55.97 55.19 1xef s LYS 493 Cb -0.19 -2.70 -0.14 0.00 -2.06 0.00 0.00 37.83 32.74 1xef s LYS 493 CO 0.01 0.32 1.51 0.94 0.10 0.00 0.00 175.35 178.23 1xef n GLN 494 N 0.20 2.00 -0.01 1.78 7.27 -1.26 -2.25 117.38 125.10 1xef n GLN 494 Ca -0.01 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.78 1xef n GLN 494 Cb 0.52 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.73 1xef n GLN 494 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xef n GLY 495 N 3.03 0.42 3.80 1.69 0.00 -0.91 -4.91 105.19 108.32 1xef n GLY 495 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1xef n GLY 495 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xef s GLU 496 N -0.98 4.15 -0.40 1.61 2.02 -0.95 -4.92 118.70 119.22 1xef s GLU 496 Ca 0.00 0.63 -0.19 0.00 0.02 0.00 0.00 54.97 55.44 1xef s GLU 496 Cb 0.00 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1xef s GLU 496 CO 0.00 0.59 0.55 0.08 0.02 0.00 0.00 175.26 176.49 1xef s VAL 497 N -0.87 4.96 -0.17 2.63 1.01 -1.26 -2.05 120.40 124.65 1xef s VAL 497 Ca 0.28 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 1xef s VAL 497 Cb -0.18 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1xef s VAL 497 CO 0.17 -0.40 0.03 -0.63 0.00 0.00 0.00 175.10 174.26 1xef s ILE 498 N 2.50 4.44 -0.13 2.22 -1.09 -0.02 -1.15 121.20 127.97 1xef s ILE 498 Ca 0.19 -0.16 -0.07 0.00 -2.23 0.00 0.00 60.65 58.38 1xef s ILE 498 Cb -0.15 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1xef s ILE 498 CO 0.15 0.47 0.14 -0.83 -1.23 0.00 0.00 174.94 173.64 1xef s GLY 499 N 0.41 2.14 -0.18 6.18 0.00 -0.48 -0.33 107.32 115.07 1xef s GLY 499 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1xef s GLY 499 CO 0.01 -0.32 -0.15 -0.42 0.00 0.00 0.00 173.10 172.23 1xef s ILE 500 N -0.86 1.77 0.37 0.90 1.01 0.87 0.08 121.20 125.34 1xef s ILE 500 Ca 0.14 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1xef s ILE 500 Cb -0.12 -1.70 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1xef s ILE 500 CO 0.03 0.38 0.03 0.68 0.00 0.00 0.00 174.94 176.06 1xef s VAL 501 N 1.38 1.65 0.00 2.92 -7.23 -0.10 -1.91 120.40 117.12 1xef s VAL 501 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1xef s VAL 501 Cb -0.14 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1xef s VAL 501 CO -0.10 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1xef n GLY 502 N -0.84 3.23 3.56 2.32 0.00 -1.26 -0.85 105.19 111.34 1xef n GLY 502 Ca -0.04 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1xef n GLY 502 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xef n ARG 503 N -1.62 0.09 -1.74 1.61 1.74 -1.26 -4.89 116.66 110.59 1xef n ARG 503 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1xef n ARG 503 Cb 0.00 -2.12 -0.03 0.00 -1.02 0.00 0.00 32.46 29.29 1xef n ARG 503 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xef s SER 504 N -1.92 6.36 0.00 0.55 0.15 -1.26 -2.40 113.70 115.18 1xef s SER 504 Ca 0.67 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.77 1xef s SER 504 Cb -0.29 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1xef s SER 504 CO 0.57 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1xef n GLY 505 N 4.63 0.93 0.16 9.45 0.00 -1.26 -4.99 105.19 114.10 1xef n GLY 505 Ca 0.21 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1xef n GLY 505 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xef h SER 506 N 0.00 0.00 0.00 1.61 4.64 -1.82 -3.46 113.55 114.52 1xef h SER 506 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xef h SER 506 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xef h SER 506 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1xef n GLY 507 N 1.20 1.55 0.11 -0.77 0.00 -1.26 -0.81 105.19 105.21 1xef n GLY 507 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1xef n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xef h LYS 508 N 0.04 0.23 -0.30 1.61 1.57 -1.91 -1.98 116.57 115.82 1xef h LYS 508 Ca 0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1xef h LYS 508 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xef h LYS 508 CO 0.00 0.15 -0.49 0.77 -0.57 0.00 0.00 179.45 179.31 1xef h SER 509 N 0.24 0.92 -0.73 0.86 0.02 -2.00 -3.12 113.55 109.74 1xef h SER 509 Ca 0.08 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1xef h SER 509 Cb -0.01 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1xef h SER 509 CO -0.04 1.25 0.44 0.74 -1.14 0.00 0.00 176.83 178.09 1xef h THR 510 N 0.66 1.21 -0.97 -2.27 2.02 -1.97 -2.13 112.91 109.45 1xef h THR 510 Ca 0.03 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1xef h THR 510 Cb 1.09 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1xef h THR 510 CO 0.11 0.22 0.60 0.25 0.37 0.00 0.00 175.52 177.06 1xef h LEU 511 N 1.01 1.15 -0.41 2.58 5.85 -1.30 -2.35 115.31 121.84 1xef h LEU 511 Ca 0.27 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xef h LEU 511 Cb -0.04 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.70 1xef h LEU 511 CO -0.05 0.87 0.00 0.71 -0.34 0.00 0.00 178.44 179.63 1xef h THR 512 N 1.33 0.00 0.00 1.05 1.35 -1.39 -3.14 112.91 112.11 1xef h THR 512 Ca 0.35 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1xef h THR 512 Cb -0.08 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1xef h THR 512 CO -0.07 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.29 1xef h LYS 513 N 0.00 0.00 0.00 4.72 1.57 -0.85 -2.99 116.57 119.02 1xef h LYS 513 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1xef h LYS 513 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1xef h LYS 513 CO 0.00 0.02 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.28 1xef h LEU 514 N 0.00 0.00 -1.56 2.94 3.38 -1.47 -2.20 115.31 116.40 1xef h LEU 514 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1xef h LEU 514 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1xef h LEU 514 CO 0.00 0.55 -0.19 0.40 0.09 0.00 0.00 178.44 179.29 1xef h ILE 515 N 0.00 0.66 -0.00 1.22 2.04 -1.60 -2.86 117.51 116.97 1xef h ILE 515 Ca -0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1xef h ILE 515 Cb 1.42 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1xef h ILE 515 CO 0.07 0.19 -0.94 0.00 0.00 0.00 0.00 178.15 177.47 1xef n GLN 516 N -3.62 0.15 -3.83 2.37 6.02 -1.17 -4.98 117.38 112.32 1xef n GLN 516 Ca -0.01 -0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.62 1xef n GLN 516 Cb 0.33 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.10 1xef n GLN 516 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1xef n ARG 517 N -1.34 -4.43 0.24 -1.09 0.63 -0.86 -4.87 116.66 104.94 1xef n ARG 517 Ca 0.05 0.54 0.14 0.00 -0.92 0.00 0.00 57.85 57.66 1xef n ARG 517 Cb 0.34 -5.02 0.41 0.00 0.45 0.00 0.00 32.46 28.65 1xef n ARG 517 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1xef h PHE 518 N -1.87 0.00 -4.10 -0.14 0.04 -1.77 -3.46 116.94 105.63 1xef h PHE 518 Ca -0.61 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.01 1xef h PHE 518 Cb 1.37 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.34 1xef h PHE 518 CO 0.49 0.00 -0.68 0.71 -0.60 0.00 0.00 178.31 178.23 1xef s TYR 519 N -3.41 0.38 -0.07 -0.55 1.51 -1.26 -5.10 117.35 108.86 1xef s TYR 519 Ca 0.05 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1xef s TYR 519 Cb 0.07 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1xef s TYR 519 CO 0.60 -0.29 -0.17 0.96 -1.11 0.00 0.00 175.55 175.55 1xef s ILE 520 N -2.68 2.78 0.47 2.71 -5.25 -1.26 -4.74 121.20 113.23 1xef s ILE 520 Ca -0.05 -0.81 -0.21 0.00 -0.99 0.00 0.00 60.65 58.60 1xef s ILE 520 Cb -0.01 -2.09 -0.09 0.00 2.95 0.00 0.00 42.46 43.23 1xef s ILE 520 CO -0.05 0.57 1.04 -2.16 -1.79 0.00 0.00 174.94 172.54 1xef s PRO 521 N -0.34 3.86 0.39 0.37 0.04 -1.26 -4.90 135.00 133.17 1xef s PRO 521 Ca 0.03 1.38 0.25 0.00 0.04 0.00 0.00 61.00 62.70 1xef s PRO 521 Cb -0.13 -2.16 0.59 0.00 0.04 0.00 0.00 34.50 32.84 1xef s PRO 521 CO 0.02 -0.38 1.69 1.05 0.04 0.00 0.00 177.00 179.43 1xef h GLU 522 N 1.71 0.00 -3.07 4.56 4.11 -1.76 -3.45 114.58 116.67 1xef h GLU 522 Ca -0.49 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.77 1xef h GLU 522 Cb 1.22 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.21 1xef h GLU 522 CO 0.60 0.00 -0.42 1.21 0.07 0.00 0.00 179.01 180.47 1xef s ASN 523 N -5.69 -0.28 0.00 3.06 3.84 -1.18 -5.00 114.94 109.68 1xef s ASN 523 Ca 0.07 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1xef s ASN 523 Cb 0.07 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 1xef s ASN 523 CO 0.63 -0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.44 1xef n GLY 524 N 3.15 -2.16 2.92 1.21 0.00 -1.16 -0.86 105.19 108.30 1xef n GLY 524 Ca -0.15 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1xef n GLY 524 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xef s GLN 525 N -0.18 0.19 -0.16 1.61 -0.21 0.20 -4.93 119.66 116.17 1xef s GLN 525 Ca 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.13 1xef s GLN 525 Cb 0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 33.01 33.90 1xef s GLN 525 CO 0.00 0.02 -0.03 0.08 -2.12 0.00 0.00 175.29 173.23 1xef s VAL 526 N -0.42 3.88 -0.02 1.09 1.01 -1.26 -1.02 120.40 123.66 1xef s VAL 526 Ca -0.04 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1xef s VAL 526 Cb -0.03 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1xef s VAL 526 CO -0.00 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.70 1xef s LEU 527 N 0.46 1.91 -0.16 3.92 1.02 0.09 -1.30 118.68 124.62 1xef s LEU 527 Ca -0.03 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.89 1xef s LEU 527 Cb -0.14 -0.70 0.02 0.00 0.02 0.00 0.00 46.19 45.39 1xef s LEU 527 CO 0.03 0.12 -0.20 -0.63 0.02 0.00 0.00 176.35 175.69 1xef s ILE 528 N -0.04 2.03 -1.32 -0.59 1.01 -0.55 0.04 121.20 121.79 1xef s ILE 528 Ca -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1xef s ILE 528 Cb -0.08 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.59 1xef s ILE 528 CO 0.00 0.54 0.30 -0.67 0.00 0.00 0.00 174.94 175.11 1xef n ASP 529 N 4.41 -4.56 0.00 3.58 2.03 0.29 -0.81 116.55 121.49 1xef n ASP 529 Ca -0.20 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1xef n ASP 529 Cb 0.51 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.13 1xef n ASP 529 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xef n GLY 530 N -1.11 0.86 3.58 0.27 0.00 -1.26 -5.03 105.19 102.50 1xef n GLY 530 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1xef n GLY 530 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xef s HIS 531 N -3.42 3.23 -0.04 1.61 3.76 0.00 -5.04 115.29 115.39 1xef s HIS 531 Ca 0.00 0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 1xef s HIS 531 Cb 0.00 -2.63 -0.06 0.00 1.11 0.00 0.00 32.58 31.00 1xef s HIS 531 CO 0.00 -0.31 1.71 0.34 -0.85 0.00 0.00 174.74 175.62 1xef s ASP 532 N 1.68 6.63 0.50 1.40 -1.08 -1.26 -1.48 116.67 123.07 1xef s ASP 532 Ca 0.14 2.31 0.24 0.00 -0.52 0.00 0.00 52.55 54.72 1xef s ASP 532 Cb -0.16 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.09 1xef s ASP 532 CO 0.11 -0.95 2.05 -0.07 0.52 0.00 0.00 175.17 176.83 1xef h LEU 533 N 10.28 0.00 -1.71 -1.34 3.38 -1.58 -1.61 115.31 122.73 1xef h LEU 533 Ca -0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1xef h LEU 533 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xef h LEU 533 CO 0.95 0.14 -0.16 0.00 0.09 0.00 0.00 178.44 179.46 1xef h ALA 534 N 1.86 1.65 -0.02 1.53 0.00 -1.90 -2.90 119.26 119.48 1xef h ALA 534 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xef h ALA 534 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xef h ALA 534 CO 0.02 0.20 -0.03 1.47 0.00 0.00 0.00 179.25 180.91 1xef n LEU 535 N -4.23 2.46 -4.93 0.00 -0.00 -0.84 -5.05 117.00 104.42 1xef n LEU 535 Ca -0.02 -3.14 -0.25 0.00 -0.00 0.00 0.00 56.01 52.60 1xef n LEU 535 Cb 0.23 -0.44 -0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1xef n LEU 535 CO 0.35 0.75 0.30 0.00 -0.00 0.00 0.00 177.39 178.79 1xef s ALA 536 N -2.90 3.58 0.10 1.47 0.00 -0.67 -4.96 121.76 118.39 1xef s ALA 536 Ca 0.33 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 1xef s ALA 536 Cb 0.29 -2.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 1xef s ALA 536 CO 0.03 -0.22 1.50 0.34 0.00 0.00 0.00 175.76 177.41 1xef s ASP 537 N -4.09 6.71 0.16 0.00 -1.08 -1.26 -4.94 116.67 112.17 1xef s ASP 537 Ca 0.44 2.41 -0.15 0.00 -0.52 0.00 0.00 52.55 54.74 1xef s ASP 537 Cb -0.10 -2.58 0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1xef s ASP 537 CO 0.40 -0.76 1.77 -0.65 0.52 0.00 0.00 175.17 176.45 1xef h PRO 538 N 7.30 0.39 -0.49 4.34 0.11 -1.96 -2.81 132.00 138.87 1xef h PRO 538 Ca -0.42 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1xef h PRO 538 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xef h PRO 538 CO 0.90 0.26 -0.21 -0.91 -0.21 0.00 0.00 178.00 177.82 1xef h ASN 539 N 0.40 1.03 -0.58 -2.05 -0.26 -2.01 -3.03 115.58 109.09 1xef h ASN 539 Ca 0.18 -0.39 0.07 0.00 -0.56 0.00 0.00 56.30 55.60 1xef h ASN 539 Cb 0.11 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.03 1xef h ASN 539 CO -0.14 1.19 0.27 -0.25 -1.06 0.00 0.00 177.43 177.44 1xef h TRP 540 N 0.87 0.48 -0.41 1.19 7.01 -1.93 -2.70 115.95 120.46 1xef h TRP 540 Ca 0.11 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1xef h TRP 540 Cb 0.79 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 1xef h TRP 540 CO 0.05 0.20 -0.09 1.25 -2.79 0.00 0.00 178.44 177.06 1xef h LEU 541 N 0.50 0.69 -0.61 0.65 5.85 -1.45 -2.98 115.31 117.96 1xef h LEU 541 Ca 0.27 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1xef h LEU 541 Cb 0.24 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1xef h LEU 541 CO -0.22 0.82 0.28 -0.09 -0.34 0.00 0.00 178.44 178.89 1xef h ARG 542 N 0.65 0.50 -0.01 1.25 2.43 -1.36 -2.59 114.38 115.25 1xef h ARG 542 Ca 0.12 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1xef h ARG 542 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1xef h ARG 542 CO 0.03 0.33 -0.40 0.00 -1.51 0.00 0.00 179.97 178.42 1xef h ARG 543 N 0.52 0.01 0.00 0.20 3.08 -1.45 -3.20 114.38 113.55 1xef h ARG 543 Ca 0.29 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1xef h ARG 543 Cb 0.27 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1xef h ARG 543 CO -0.24 0.41 -0.40 1.96 -1.07 0.00 0.00 179.97 180.64 1xef h GLN 544 N 0.01 0.00 -5.24 0.04 1.08 -1.40 -3.42 115.11 106.19 1xef h GLN 544 Ca -0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 1xef h GLN 544 Cb 0.71 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.85 1xef h GLN 544 CO 0.05 0.40 -0.79 0.08 -0.95 0.00 0.00 178.83 177.62 1xef s VAL 545 N -3.63 2.83 -0.09 -0.54 1.01 -1.21 -0.75 120.40 118.03 1xef s VAL 545 Ca -0.00 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xef s VAL 545 Cb 0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1xef s VAL 545 CO 0.69 0.51 -0.21 -0.83 0.00 0.00 0.00 175.10 175.27 1xef s GLY 546 N 0.65 1.38 -0.12 4.51 0.00 -0.31 -4.95 107.32 108.48 1xef s GLY 546 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1xef s GLY 546 CO 0.02 -0.46 -0.15 0.14 0.00 0.00 0.00 173.10 172.65 1xef s VAL 547 N 0.06 1.54 -0.29 1.40 1.01 -1.26 -0.82 120.40 122.04 1xef s VAL 547 Ca -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1xef s VAL 547 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1xef s VAL 547 CO 0.06 0.45 0.13 -0.69 0.00 0.00 0.00 175.10 175.05 1xef s VAL 548 N 1.11 4.57 0.78 2.92 1.01 0.27 -5.00 120.40 126.06 1xef s VAL 548 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1xef s VAL 548 Cb -0.14 -3.26 0.15 0.00 0.00 0.00 0.00 36.38 33.13 1xef s VAL 548 CO -0.04 0.16 1.07 -0.76 0.00 0.00 0.00 175.10 175.53 1xef s LEU 549 N 1.62 2.91 0.19 3.92 1.43 -1.26 -0.79 118.68 126.71 1xef s LEU 549 Ca 0.05 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 1xef s LEU 549 Cb -0.16 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.33 1xef s LEU 549 CO 0.06 -2.10 1.75 -0.61 0.23 0.00 0.00 176.35 175.68 1xef h GLN 550 N -0.76 1.05 -6.63 1.70 4.15 -1.69 -3.40 115.11 109.53 1xef h GLN 550 Ca -0.36 -0.20 -0.70 0.00 0.77 0.00 0.00 58.65 58.16 1xef h GLN 550 Cb 1.26 -0.17 -0.28 0.00 0.21 0.00 0.00 27.48 28.50 1xef h GLN 550 CO 0.37 0.88 -0.87 0.34 -1.93 0.00 0.00 178.83 177.62 1xef s ASP 551 N -6.24 3.22 -0.10 -0.69 3.68 -1.26 -4.91 116.67 110.37 1xef s ASP 551 Ca -0.13 -0.49 -0.04 0.00 2.13 0.00 0.00 52.55 54.02 1xef s ASP 551 Cb 0.14 -0.38 0.05 0.00 -1.45 0.00 0.00 42.92 41.29 1xef s ASP 551 CO 0.82 0.29 0.21 0.20 0.13 0.00 0.00 175.17 176.83 1xef s ASN 552 N -0.92 0.35 -0.18 -0.34 -0.87 -1.26 -5.13 114.94 106.59 1xef s ASN 552 Ca 0.11 0.46 -0.21 0.00 -1.57 0.00 0.00 52.86 51.65 1xef s ASN 552 Cb -0.10 0.46 -0.03 0.00 -0.02 0.00 0.00 41.25 41.56 1xef s ASN 552 CO 0.01 -0.22 0.66 0.68 -2.57 0.00 0.00 177.10 175.65 1xef s VAL 553 N 2.07 5.01 0.13 1.60 -7.23 -1.26 -4.91 120.40 115.82 1xef s VAL 553 Ca -0.01 1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 61.28 1xef s VAL 553 Cb -0.12 -3.97 -0.07 0.00 0.56 0.00 0.00 36.38 32.78 1xef s VAL 553 CO -0.07 0.12 0.53 -0.76 -0.31 0.00 0.00 175.10 174.61 1xef s LEU 554 N 1.78 4.35 0.48 1.32 1.43 -1.26 -5.03 118.68 121.75 1xef s LEU 554 Ca 0.31 1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 1xef s LEU 554 Cb -0.16 -3.21 -0.08 0.00 0.03 0.00 0.00 46.19 42.77 1xef s LEU 554 CO 0.11 0.12 1.04 -0.76 0.23 0.00 0.00 176.35 177.09 1xef s LEU 555 N -1.91 3.85 -0.66 1.79 1.43 -1.26 -3.93 118.68 118.00 1xef s LEU 555 Ca 0.37 1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 55.20 1xef s LEU 555 Cb -0.15 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.35 1xef s LEU 555 CO 0.19 -0.78 1.87 -3.20 0.23 0.00 0.00 176.35 174.66 1xef n ASN 556 N -0.94 2.55 -2.18 2.29 5.15 -1.25 -4.67 115.26 116.20 1xef n ASN 556 Ca 0.09 -2.58 -0.08 0.00 -0.60 0.00 0.00 54.58 51.41 1xef n ASN 556 Cb 0.52 -1.00 -0.01 0.00 -0.53 0.00 0.00 39.78 38.76 1xef n ASN 556 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1xef n ARG 557 N 6.67 0.52 -1.15 1.20 1.85 -1.26 -4.92 116.66 119.57 1xef n ARG 557 Ca 0.47 -1.61 -0.31 0.00 -1.00 0.00 0.00 57.85 55.40 1xef n ARG 557 Cb 0.35 1.67 0.11 0.00 -1.05 0.00 0.00 32.46 33.55 1xef n ARG 557 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1xef s SER 558 N -2.31 4.02 0.15 2.89 1.04 -1.26 -1.35 113.70 116.87 1xef s SER 558 Ca 0.15 1.81 -0.15 0.00 0.48 0.00 0.00 55.95 58.24 1xef s SER 558 Cb -0.01 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1xef s SER 558 CO 0.11 -2.34 1.74 0.40 0.98 0.00 0.00 173.24 174.12 1xef h ILE 559 N -1.34 1.18 -0.47 -1.02 2.04 -1.20 -0.19 117.51 116.50 1xef h ILE 559 Ca -0.45 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1xef h ILE 559 Cb 1.25 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1xef h ILE 559 CO 0.50 0.20 0.28 -0.29 0.00 0.00 0.00 178.15 178.85 1xef h ILE 560 N 0.62 1.15 -0.88 -0.67 2.10 -1.73 -1.48 117.51 116.62 1xef h ILE 560 Ca 0.16 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.76 1xef h ILE 560 Cb 0.10 0.52 -0.04 0.00 -1.09 0.00 0.00 36.82 36.32 1xef h ILE 560 CO -0.02 0.15 0.54 0.44 -1.08 0.00 0.00 178.15 178.18 1xef h ASP 561 N 0.62 1.05 -0.53 2.19 5.19 -1.78 -0.32 116.42 122.85 1xef h ASP 561 Ca 0.17 -0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.45 1xef h ASP 561 Cb -0.00 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1xef h ASP 561 CO -0.03 0.80 0.07 0.78 -3.12 0.00 0.00 179.24 177.74 1xef h ASN 562 N 1.21 0.89 0.35 6.45 4.21 -0.65 -2.20 115.58 125.84 1xef h ASN 562 Ca 0.32 -0.20 -0.20 0.00 1.21 0.00 0.00 56.30 57.43 1xef h ASN 562 Cb -0.06 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 36.90 1xef h ASN 562 CO -0.06 0.91 -0.82 0.40 -1.29 0.00 0.00 177.43 176.56 1xef h ILE 563 N 0.88 1.41 -0.17 2.81 2.04 -0.95 -3.27 117.51 120.25 1xef h ILE 563 Ca 0.18 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.71 1xef h ILE 563 Cb 0.41 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1xef h ILE 563 CO 0.01 0.69 0.00 -1.54 0.00 0.00 0.00 178.15 177.32 1xef n SER 564 N -3.77 1.45 -0.34 1.72 3.41 -0.16 -4.43 113.62 111.51 1xef n SER 564 Ca -0.05 -1.73 0.08 0.00 -0.26 0.00 0.00 58.87 56.91 1xef n SER 564 Cb 0.76 -0.11 0.17 0.00 -0.26 0.00 0.00 64.21 64.78 1xef n SER 564 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xef n LEU 565 N 0.20 -0.27 0.16 1.04 0.00 -0.84 -0.35 117.00 116.93 1xef n LEU 565 Ca 0.15 1.62 0.13 0.00 0.00 0.00 0.00 56.01 57.90 1xef n LEU 565 Cb 0.28 -0.52 0.36 0.00 0.00 0.00 0.00 43.42 43.54 1xef n LEU 565 CO 0.11 -1.58 0.87 0.00 0.00 0.00 0.00 177.39 176.80 1xef h ALA 566 N 1.89 1.00 -0.96 1.96 0.00 -1.89 -3.41 119.26 117.84 1xef h ALA 566 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1xef h ALA 566 Cb 0.83 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 1xef h ALA 566 CO -0.95 0.00 -0.44 1.21 0.00 0.00 0.00 179.25 179.07 1xef s ASN 567 N -5.12 -1.47 0.68 0.00 3.84 0.52 -5.00 114.94 108.39 1xef s ASN 567 Ca 0.08 -0.89 -0.11 0.00 0.21 0.00 0.00 52.86 52.16 1xef s ASN 567 Cb 0.09 1.89 -0.00 0.00 -0.55 0.00 0.00 41.25 42.68 1xef s ASN 567 CO 0.60 -0.15 1.06 -2.16 -2.79 0.00 0.00 177.10 173.66 1xef s PRO 568 N 1.71 3.10 0.00 0.43 0.04 -1.06 -3.68 135.00 135.55 1xef s PRO 568 Ca 0.18 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1xef s PRO 568 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xef s PRO 568 CO -0.07 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1xef n GLY 569 N -2.38 2.83 3.67 0.56 0.00 -1.26 -5.00 105.19 103.61 1xef n GLY 569 Ca 0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xef n GLY 569 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xef s MET 570 N 0.00 4.16 0.95 1.61 0.00 -1.24 -4.97 119.30 119.80 1xef s MET 570 Ca 0.00 2.48 -0.16 0.00 0.00 0.00 0.00 55.69 58.01 1xef s MET 570 Cb 0.00 -3.96 0.22 0.00 0.00 0.00 0.00 34.83 31.09 1xef s MET 570 CO 0.00 -0.89 1.21 -1.13 0.00 0.00 0.00 175.02 174.21 1xef n SER 571 N 6.90 -0.22 0.25 1.11 3.41 -1.26 -4.84 113.62 118.97 1xef n SER 571 Ca 0.18 -1.40 0.09 0.00 -0.26 0.00 0.00 58.87 57.48 1xef n SER 571 Cb 0.41 -0.95 0.65 0.00 -0.26 0.00 0.00 64.21 64.07 1xef n SER 571 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xef h VAL 572 N -1.86 0.97 -0.23 -3.33 2.07 -1.99 -2.96 116.25 108.91 1xef h VAL 572 Ca -0.40 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1xef h VAL 572 Cb 1.11 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1xef h VAL 572 CO 0.28 0.00 -0.32 1.05 0.02 0.00 0.00 177.57 178.59 1xef h GLU 573 N 0.00 0.63 0.00 1.57 9.09 -1.99 -0.52 114.58 123.36 1xef h GLU 573 Ca 0.01 -0.37 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1xef h GLU 573 Cb 0.04 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1xef h GLU 573 CO -0.00 0.98 0.00 0.87 0.05 0.00 0.00 179.01 180.91 1xef h LYS 574 N 0.33 0.00 0.07 1.06 1.79 -1.91 -0.33 116.57 117.58 1xef h LYS 574 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xef h LYS 574 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1xef h LYS 574 CO 0.08 0.00 -0.03 0.28 -1.08 0.00 0.00 179.45 178.69 1xef h VAL 575 N 0.00 1.17 -0.60 0.50 2.07 -1.38 -2.77 116.25 115.24 1xef h VAL 575 Ca 0.00 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1xef h VAL 575 Cb 0.86 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1xef h VAL 575 CO 0.00 0.21 0.20 0.40 0.02 0.00 0.00 177.57 178.40 1xef h ILE 576 N -0.48 1.24 -0.91 4.57 2.04 -0.91 -1.45 117.51 121.60 1xef h ILE 576 Ca -0.01 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1xef h ILE 576 Cb 0.42 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1xef h ILE 576 CO 0.02 0.31 0.60 0.22 0.00 0.00 0.00 178.15 179.29 1xef h TYR 577 N 0.84 1.13 -0.51 1.37 3.20 -1.15 0.83 116.97 122.69 1xef h TYR 577 Ca 0.19 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1xef h TYR 577 Cb 0.27 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1xef h TYR 577 CO 0.02 0.69 -0.01 0.00 -1.64 0.00 0.00 178.16 177.22 1xef h ALA 578 N 1.35 1.02 -0.01 1.82 0.00 -1.21 -0.54 119.26 121.69 1xef h ALA 578 Ca 0.35 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1xef h ALA 578 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xef h ALA 578 CO -0.09 0.60 -0.78 0.00 0.00 0.00 0.00 179.25 178.98 1xef h ALA 579 N 1.19 0.68 -0.29 0.00 0.00 -0.40 -2.40 119.26 118.03 1xef h ALA 579 Ca 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1xef h ALA 579 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xef h ALA 579 CO 0.02 0.89 -0.43 0.87 0.00 0.00 0.00 179.25 180.60 1xef h LYS 580 N 0.08 0.74 -0.62 0.00 1.57 0.88 0.70 116.57 119.91 1xef h LYS 580 Ca -0.02 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1xef h LYS 580 Cb 1.36 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1xef h LYS 580 CO 0.11 1.03 0.01 -0.07 -0.57 0.00 0.00 179.45 179.96 1xef h LEU 581 N 0.60 1.06 -0.00 2.94 4.07 -1.08 -2.90 115.31 119.99 1xef h LEU 581 Ca 0.04 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1xef h LEU 581 Cb 0.99 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1xef h LEU 581 CO 0.09 1.10 0.00 0.00 -1.08 0.00 0.00 178.44 178.56 1xef n ALA 582 N -2.48 2.30 -2.48 1.53 0.00 -0.91 -4.36 120.51 114.11 1xef n ALA 582 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1xef n ALA 582 Cb 0.35 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.34 1xef n ALA 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xef n GLY 583 N 1.42 0.44 0.02 0.00 0.00 -0.54 -4.76 105.19 101.77 1xef n GLY 583 Ca 0.07 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1xef n GLY 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xef n ALA 584 N -2.31 2.40 -0.13 4.61 0.00 0.23 -4.67 120.51 120.64 1xef n ALA 584 Ca -0.02 -0.45 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1xef n ALA 584 Cb 0.53 -0.43 0.33 0.00 0.00 0.00 0.00 19.45 19.87 1xef n ALA 584 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xef h HIS 585 N 0.00 0.76 0.37 0.00 6.17 -1.81 -2.92 115.15 117.72 1xef h HIS 585 Ca -0.06 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 1xef h HIS 585 Cb 0.88 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 1xef h HIS 585 CO 0.00 0.47 -0.27 -0.44 0.71 0.00 0.00 177.93 178.41 1xef h ASP 586 N 0.81 -0.68 1.06 3.26 3.32 -1.89 -2.22 116.42 120.08 1xef h ASP 586 Ca 0.23 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1xef h ASP 586 Cb -0.07 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xef h ASP 586 CO -0.05 -0.41 -0.37 2.19 -1.72 0.00 0.00 179.24 178.88 1xef h PHE 587 N -0.63 0.00 -0.16 4.55 -5.15 -1.86 -3.00 116.94 110.68 1xef h PHE 587 Ca -0.03 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.55 1xef h PHE 587 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.71 1xef h PHE 587 CO -0.12 0.37 -0.65 0.82 -2.00 0.00 0.00 178.31 176.73 1xef h ILE 588 N 0.00 1.32 0.00 0.88 2.04 -1.48 -3.02 117.51 117.25 1xef h ILE 588 Ca -0.00 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.89 1xef h ILE 588 Cb 1.01 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1xef h ILE 588 CO 0.05 0.60 -0.24 0.28 0.00 0.00 0.00 178.15 178.84 1xef h SER 589 N 0.45 0.00 0.18 1.72 0.02 -1.26 -3.01 113.55 111.64 1xef h SER 589 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xef h SER 589 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xef h SER 589 CO 0.12 0.24 -0.54 -0.62 -1.14 0.00 0.00 176.83 174.89 1xef n GLU 590 N -3.96 0.54 -2.43 3.45 1.02 -1.19 -4.84 120.64 113.23 1xef n GLU 590 Ca -0.02 -0.39 -0.37 0.00 -0.02 0.00 0.00 57.16 56.36 1xef n GLU 590 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1xef n GLU 590 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xef s LEU 591 N -2.73 4.08 0.16 -4.62 1.43 -1.14 -4.98 118.68 110.88 1xef s LEU 591 Ca 0.16 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.26 1xef s LEU 591 Cb 0.18 -4.22 0.04 0.00 0.03 0.00 0.00 46.19 42.22 1xef s LEU 591 CO 0.66 -0.67 1.73 -0.09 0.23 0.00 0.00 176.35 178.21 1xef h ARG 592 N 2.29 0.74 0.00 1.70 2.43 -1.88 -2.72 114.38 116.93 1xef h ARG 592 Ca -0.49 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1xef h ARG 592 Cb 1.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1xef h ARG 592 CO 0.61 0.63 -0.10 -1.91 -1.51 0.00 0.00 179.97 177.69 1xef n GLU 593 N -4.58 0.22 0.00 0.20 4.07 -1.26 -5.01 120.64 114.27 1xef n GLU 593 Ca 0.02 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1xef n GLU 593 Cb 0.13 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 1xef n GLU 593 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xef n GLY 594 N 1.35 1.66 0.22 8.31 0.00 -1.03 -2.37 105.19 113.33 1xef n GLY 594 Ca 0.05 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1xef n GLY 594 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xef h TYR 595 N 0.00 0.00 -0.07 1.61 0.05 -1.91 -2.60 116.97 114.04 1xef h TYR 595 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xef h TYR 595 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1xef h TYR 595 CO 0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1xef n ASN 596 N -2.68 0.71 -4.67 3.88 3.02 -1.00 -2.05 115.26 112.47 1xef n ASN 596 Ca 0.01 -1.52 -0.42 0.00 -0.03 0.00 0.00 54.58 52.61 1xef n ASN 596 Cb 0.23 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1xef n ASN 596 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xef s THR 597 N -1.92 3.36 -0.29 3.41 2.01 -0.98 -4.80 115.64 116.43 1xef s THR 597 Ca 0.31 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1xef s THR 597 Cb 0.15 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1xef s THR 597 CO 0.24 -0.04 1.04 -0.63 -0.69 0.00 0.00 174.62 174.55 1xef s ILE 598 N 3.78 4.58 0.81 1.82 1.09 -1.26 -1.78 121.20 130.24 1xef s ILE 598 Ca 0.76 1.77 -0.12 0.00 -1.10 0.00 0.00 60.65 61.97 1xef s ILE 598 Cb -0.36 -4.37 0.08 0.00 -1.06 0.00 0.00 42.46 36.75 1xef s ILE 598 CO 0.32 -0.38 1.14 0.68 -0.10 0.00 0.00 174.94 176.60 1xef s VAL 599 N 3.48 2.48 0.83 2.92 -7.23 -0.46 -4.94 120.40 117.49 1xef s VAL 599 Ca 0.44 0.16 -0.13 0.00 -1.81 0.00 0.00 61.98 60.64 1xef s VAL 599 Cb -0.13 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.81 1xef s VAL 599 CO 0.13 -0.20 0.98 0.61 -0.31 0.00 0.00 175.10 176.30 1xef n GLY 600 N -2.85 -0.58 0.00 2.32 0.00 -1.24 -4.15 105.19 98.69 1xef n GLY 600 Ca 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1xef n GLY 600 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xef n GLU 601 N -2.83 0.86 0.00 1.61 4.71 -1.26 -2.74 120.64 120.99 1xef n GLU 601 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1xef n GLU 601 Cb 0.51 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1xef n GLU 601 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1xef n GLN 602 N -0.68 4.13 0.00 3.49 -0.06 -1.26 -4.92 117.38 118.08 1xef n GLN 602 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1xef n GLN 602 Cb 0.03 -0.57 0.00 0.00 -4.06 0.00 0.00 30.24 25.64 1xef n GLN 602 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xef n GLY 603 N 0.60 3.46 3.29 1.69 0.00 -1.11 -4.64 105.19 108.49 1xef n GLY 603 Ca 0.00 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 1xef n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xef n ALA 604 N 0.00 4.38 1.40 4.61 0.00 -1.26 -3.64 120.51 126.00 1xef n ALA 604 Ca 0.00 -4.64 0.14 0.00 0.00 0.00 0.00 53.44 48.94 1xef n ALA 604 Cb 0.00 -2.52 0.54 0.00 0.00 0.00 0.00 19.45 17.47 1xef n ALA 604 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xef n GLY 605 N 2.61 -0.68 2.14 0.00 0.00 -1.26 -4.81 105.19 103.18 1xef n GLY 605 Ca 0.26 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1xef n GLY 605 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xef n LEU 606 N -0.68 0.00 -4.91 0.99 4.77 -1.26 -4.91 117.00 111.00 1xef n LEU 606 Ca 0.15 -1.84 -0.28 0.00 -0.03 0.00 0.00 56.01 54.01 1xef n LEU 606 Cb 0.30 0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1xef n LEU 606 CO 0.23 -0.28 0.72 -0.94 -1.33 0.00 0.00 177.39 175.78 1xef s SER 607 N -2.66 4.63 0.15 -1.43 1.04 -1.26 -4.89 113.70 109.28 1xef s SER 607 Ca 0.02 0.64 -0.18 0.00 0.48 0.00 0.00 55.95 56.92 1xef s SER 607 Cb -0.00 -1.20 0.03 0.00 0.10 0.00 0.00 66.02 64.95 1xef s SER 607 CO 0.01 -1.78 1.73 1.23 0.98 0.00 0.00 173.24 175.41 1xef h GLY 608 N -0.86 0.34 1.53 7.32 0.00 -1.99 -1.93 103.07 107.47 1xef h GLY 608 Ca -0.45 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1xef h GLY 608 CO 0.64 -0.02 -0.32 -1.33 0.00 0.00 0.00 176.54 175.50 1xef h GLY 609 N 0.16 0.58 0.86 4.60 0.00 -1.94 -1.62 103.07 105.71 1xef h GLY 609 Ca 0.14 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xef h GLY 609 CO -0.19 0.48 0.05 1.46 0.00 0.00 0.00 176.54 178.34 1xef h GLN 610 N 0.46 0.34 -0.40 4.80 4.20 -1.91 -0.58 115.11 122.02 1xef h GLN 610 Ca 0.05 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.76 1xef h GLN 610 Cb 0.79 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.46 1xef h GLN 610 CO 0.06 0.45 -0.01 0.00 -0.67 0.00 0.00 178.83 178.67 1xef h ARG 611 N 0.16 0.09 -0.17 1.46 3.08 -1.25 -1.98 114.38 115.77 1xef h ARG 611 Ca 0.07 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1xef h ARG 611 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xef h ARG 611 CO 0.00 0.06 -0.15 0.37 -1.07 0.00 0.00 179.97 179.18 1xef h GLN 612 N 0.09 0.28 0.00 0.04 5.75 -1.05 -1.02 115.11 119.20 1xef h GLN 612 Ca 0.20 -0.07 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 1xef h GLN 612 Cb 0.28 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1xef h GLN 612 CO -0.34 0.43 -0.84 0.00 -2.65 0.00 0.00 178.83 175.44 1xef h ARG 613 N 0.26 0.10 -0.49 1.69 3.08 -0.83 -2.04 114.38 116.16 1xef h ARG 613 Ca 0.05 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1xef h ARG 613 Cb 0.43 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1xef h ARG 613 CO 0.03 0.88 -0.04 0.82 -1.07 0.00 0.00 179.97 180.59 1xef h ILE 614 N 0.06 1.27 -0.85 2.04 1.08 -0.85 -1.23 117.51 119.02 1xef h ILE 614 Ca -0.03 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.28 1xef h ILE 614 Cb 1.46 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.18 1xef h ILE 614 CO 0.12 0.40 0.42 0.00 -0.69 0.00 0.00 178.15 178.39 1xef h ALA 615 N 0.92 1.14 -0.30 1.87 0.00 -1.14 -0.45 119.26 121.30 1xef h ALA 615 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xef h ALA 615 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xef h ALA 615 CO 0.03 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.75 1xef h ILE 616 N 1.20 1.26 -0.80 0.00 2.04 -1.26 -1.85 117.51 118.10 1xef h ILE 616 Ca 0.29 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1xef h ILE 616 Cb 0.10 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1xef h ILE 616 CO -0.04 0.31 0.50 0.00 0.00 0.00 0.00 178.15 178.92 1xef h ALA 617 N 0.83 1.08 -0.48 1.87 0.00 -0.90 -1.71 119.26 119.94 1xef h ALA 617 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xef h ALA 617 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xef h ALA 617 CO 0.02 0.26 0.19 -0.09 0.00 0.00 0.00 179.25 179.63 1xef h ARG 618 N 0.94 0.73 0.00 0.00 2.43 -1.02 -2.31 114.38 115.15 1xef h ARG 618 Ca 0.34 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1xef h ARG 618 Cb 0.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1xef h ARG 618 CO -0.15 0.66 -0.19 0.00 -1.51 0.00 0.00 179.97 178.78 1xef h ALA 619 N 1.03 1.58 -0.05 2.80 0.00 -0.85 0.78 119.26 124.55 1xef h ALA 619 Ca 0.16 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1xef h ALA 619 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xef h ALA 619 CO -0.01 0.24 -0.84 -0.07 0.00 0.00 0.00 179.25 178.56 1xef h LEU 620 N 0.00 0.60 -0.18 0.00 3.38 -1.14 -2.84 115.31 115.13 1xef h LEU 620 Ca -0.00 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1xef h LEU 620 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xef h LEU 620 CO 0.02 1.21 0.01 0.58 0.09 0.00 0.00 178.44 180.35 1xef h VAL 621 N 0.30 1.25 -0.99 1.22 2.07 -0.80 -2.22 116.25 117.07 1xef h VAL 621 Ca -0.06 -0.82 0.35 0.00 0.82 0.00 0.00 66.70 66.99 1xef h VAL 621 Cb 1.46 1.44 -0.16 0.00 -1.52 0.00 0.00 31.29 32.50 1xef h VAL 621 CO 0.15 0.25 0.51 0.78 0.02 0.00 0.00 177.57 179.28 1xef h ASN 622 N 0.07 0.36 -5.80 0.57 -0.26 -0.91 -3.47 115.58 106.14 1xef h ASN 622 Ca 0.05 0.22 -0.27 0.00 -0.56 0.00 0.00 56.30 55.75 1xef h ASN 622 Cb 0.36 0.21 0.10 0.00 -1.06 0.00 0.00 38.32 37.93 1xef h ASN 622 CO 0.01 -0.27 -0.69 -3.20 -1.06 0.00 0.00 177.43 172.22 1xef n ASN 623 N -5.16 -6.36 -4.89 5.81 4.05 -0.84 -5.01 115.26 102.87 1xef n ASN 623 Ca 0.33 -0.68 -0.29 0.00 0.45 0.00 0.00 54.58 54.39 1xef n ASN 623 Cb 1.08 -4.32 0.01 0.00 1.23 0.00 0.00 39.78 37.78 1xef n ASN 623 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1xef s PRO 624 N -4.62 3.48 0.34 1.20 0.04 -1.26 -4.98 135.00 129.20 1xef s PRO 624 Ca 0.31 0.49 0.24 0.00 0.04 0.00 0.00 61.00 62.08 1xef s PRO 624 Cb -0.08 -2.19 0.45 0.00 0.04 0.00 0.00 34.50 32.72 1xef s PRO 624 CO 0.80 -0.48 1.60 0.87 0.04 0.00 0.00 177.00 179.83 1xef h LYS 625 N -0.14 0.00 -4.66 4.56 1.57 -1.75 -3.42 116.57 112.73 1xef h LYS 625 Ca -0.45 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.72 1xef h LYS 625 Cb 1.20 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.15 1xef h LYS 625 CO 0.62 0.00 -0.83 0.42 -0.57 0.00 0.00 179.45 179.09 1xef s ILE 626 N -3.19 1.59 -0.20 1.86 1.01 0.07 -1.44 121.20 120.90 1xef s ILE 626 Ca 0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1xef s ILE 626 Cb 0.08 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1xef s ILE 626 CO 0.66 0.42 -0.08 -0.22 0.00 0.00 0.00 174.94 175.72 1xef s LEU 627 N 1.47 2.79 -0.22 2.97 2.96 0.87 -1.17 118.68 128.35 1xef s LEU 627 Ca 0.04 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1xef s LEU 627 Cb -0.13 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1xef s LEU 627 CO -0.10 0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.26 1xef s ILE 628 N 1.20 3.16 -0.35 6.68 1.01 0.00 0.23 121.20 133.13 1xef s ILE 628 Ca 0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1xef s ILE 628 Cb -0.14 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1xef s ILE 628 CO -0.03 0.39 0.28 -0.36 0.00 0.00 0.00 174.94 175.22 1xef s PHE 629 N 1.43 3.23 -0.68 3.97 0.40 0.15 -0.56 117.98 125.92 1xef s PHE 629 Ca 0.05 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1xef s PHE 629 Cb -0.15 -2.54 0.18 0.00 0.51 0.00 0.00 43.02 41.02 1xef s PHE 629 CO -0.04 -0.42 0.52 0.34 0.70 0.00 0.00 175.22 176.32 1xef s ASP 630 N 1.72 5.62 -1.48 1.36 -1.08 0.03 -0.51 116.67 122.33 1xef s ASP 630 Ca 0.07 -2.81 -0.04 0.00 -0.52 0.00 0.00 52.55 49.24 1xef s ASP 630 Cb -0.17 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.36 1xef s ASP 630 CO 0.11 -0.42 0.41 -0.62 0.52 0.00 0.00 175.17 175.17 1xef n GLU 631 N 3.61 -3.76 0.09 4.34 -0.58 -0.57 -2.47 120.64 121.30 1xef n GLU 631 Ca 0.09 0.80 0.01 0.00 -0.42 0.00 0.00 57.16 57.64 1xef n GLU 631 Cb 0.40 -5.57 0.32 0.00 -0.57 0.00 0.00 31.44 26.02 1xef n GLU 631 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xef h ALA 632 N 1.00 1.36 -0.01 0.62 0.00 -1.79 -3.19 119.26 117.26 1xef h ALA 632 Ca -0.48 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1xef h ALA 632 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xef h ALA 632 CO 0.54 0.44 -0.30 0.25 0.00 0.00 0.00 179.25 180.17 1xef n THR 633 N -4.20 0.00 0.23 0.00 -2.24 -1.26 -4.68 114.28 102.13 1xef n THR 633 Ca -0.01 -0.35 0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1xef n THR 633 Cb 0.33 1.14 0.77 0.00 -2.10 0.00 0.00 70.33 70.47 1xef n THR 633 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xef h SER 634 N 1.32 0.00 -0.01 3.42 4.64 -1.94 0.14 113.55 121.12 1xef h SER 634 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xef h SER 634 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1xef h SER 634 CO 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 176.83 175.48 1xef n ALA 635 N -1.88 3.49 -1.78 5.18 0.00 -1.26 -4.97 120.51 119.29 1xef n ALA 635 Ca -0.02 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 1xef n ALA 635 Cb 0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1xef n ALA 635 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xef s LEU 636 N -2.29 4.26 0.76 0.00 1.02 0.50 -4.89 118.68 118.05 1xef s LEU 636 Ca 0.11 1.97 -0.13 0.00 0.02 0.00 0.00 54.13 56.10 1xef s LEU 636 Cb 0.13 -4.06 0.06 0.00 0.02 0.00 0.00 46.19 42.33 1xef s LEU 636 CO 0.49 -0.27 1.14 1.51 0.02 0.00 0.00 176.35 179.24 1xef s ASP 637 N -1.53 4.22 0.27 2.29 -4.77 -1.26 -4.71 116.67 111.17 1xef s ASP 637 Ca 0.53 2.11 -0.01 0.00 -3.30 0.00 0.00 52.55 51.89 1xef s ASP 637 Cb -0.21 -2.56 0.51 0.00 -1.09 0.00 0.00 42.92 39.57 1xef s ASP 637 CO 0.27 -2.24 1.82 1.88 0.70 0.00 0.00 175.17 177.60 1xef h TYR 638 N -0.74 1.01 -0.36 2.11 0.05 -1.96 -0.18 116.97 116.90 1xef h TYR 638 Ca -0.45 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 1xef h TYR 638 Cb 1.26 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1xef h TYR 638 CO 0.52 0.38 0.15 1.49 -1.05 0.00 0.00 178.16 179.65 1xef h GLU 639 N 0.88 0.54 -0.59 4.88 4.81 -1.99 0.36 114.58 123.48 1xef h GLU 639 Ca 0.47 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1xef h GLU 639 Cb 0.48 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1xef h GLU 639 CO -0.28 0.52 0.20 0.77 -0.73 0.00 0.00 179.01 179.49 1xef h SER 640 N 0.44 0.85 -0.20 1.04 0.02 -1.59 -2.30 113.55 111.82 1xef h SER 640 Ca 0.12 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 1xef h SER 640 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xef h SER 640 CO -0.01 0.82 -0.35 -0.08 -1.14 0.00 0.00 176.83 176.07 1xef h GLU 641 N 0.83 0.72 -0.65 3.45 4.81 -1.03 -3.19 114.58 119.52 1xef h GLU 641 Ca 0.19 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1xef h GLU 641 Cb 0.26 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1xef h GLU 641 CO -0.01 0.96 0.41 1.25 -0.73 0.00 0.00 179.01 180.90 1xef h HIS 642 N 0.60 0.78 -0.26 0.92 2.76 -0.63 0.12 115.15 119.44 1xef h HIS 642 Ca 0.06 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1xef h HIS 642 Cb 0.88 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.54 1xef h HIS 642 CO 0.04 0.45 -0.04 0.28 -1.30 0.00 0.00 177.93 177.37 1xef h VAL 643 N 0.82 0.77 -0.42 5.26 2.07 -1.41 0.85 116.25 124.19 1xef h VAL 643 Ca 0.26 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1xef h VAL 643 Cb -0.01 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1xef h VAL 643 CO -0.09 0.01 0.17 0.40 0.02 0.00 0.00 177.57 178.07 1xef h ILE 644 N 0.03 1.20 0.00 4.57 2.04 -1.43 -1.57 117.51 122.35 1xef h ILE 644 Ca 0.13 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.28 1xef h ILE 644 Cb 0.18 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1xef h ILE 644 CO -0.24 0.23 -0.42 0.24 0.00 0.00 0.00 178.15 177.95 1xef h MET 645 N 0.54 0.00 -0.17 2.37 2.86 -0.47 -2.43 114.93 117.63 1xef h MET 645 Ca 0.14 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 1xef h MET 645 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1xef h MET 645 CO -0.01 0.42 -0.34 0.00 1.06 0.00 0.00 176.91 178.04 1xef h ARG 646 N 0.00 0.36 -0.02 1.72 3.08 0.95 -3.08 114.38 117.38 1xef h ARG 646 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xef h ARG 646 Cb 0.93 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1xef h ARG 646 CO 0.05 0.65 0.00 0.09 -1.07 0.00 0.00 179.97 179.70 1xef n ASN 647 N -4.08 1.23 0.31 7.04 3.02 -0.61 -4.25 115.26 117.93 1xef n ASN 647 Ca -0.01 -1.43 0.18 0.00 -0.03 0.00 0.00 54.58 53.29 1xef n ASN 647 Cb 0.44 -0.01 1.03 0.00 -0.61 0.00 0.00 39.78 40.63 1xef n ASN 647 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1xef h MET 648 N 1.90 0.00 0.00 3.52 4.05 -1.36 -0.87 114.93 122.17 1xef h MET 648 Ca 0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 1xef h MET 648 Cb 0.41 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1xef h MET 648 CO 0.00 0.01 -0.56 1.12 0.23 0.00 0.00 176.91 177.71 1xef h HIS 649 N 0.00 0.00 0.04 1.39 2.07 -1.82 -2.56 115.15 114.27 1xef h HIS 649 Ca -0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 1xef h HIS 649 Cb 0.04 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.99 1xef h HIS 649 CO 0.00 0.56 -1.74 0.87 -3.07 0.00 0.00 177.93 174.55 1xef h LYS 650 N 0.00 0.08 -0.31 5.12 1.57 -1.52 -3.36 116.57 118.15 1xef h LYS 650 Ca -0.01 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1xef h LYS 650 Cb 1.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xef h LYS 650 CO 0.07 0.73 -0.01 0.82 -0.57 0.00 0.00 179.45 180.49 1xef h ILE 651 N 0.02 1.26 -0.42 1.86 2.04 -1.28 -3.20 117.51 117.79 1xef h ILE 651 Ca -0.31 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1xef h ILE 651 Cb 2.01 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1xef h ILE 651 CO 0.09 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.55 1xef s LYS 653 N -1.72 3.57 -0.45 0.00 1.02 -1.21 -2.34 119.74 118.61 1xef s LYS 653 Ca 0.33 1.88 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1xef s LYS 653 Cb 0.21 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1xef s LYS 653 CO 0.16 -1.59 0.00 0.41 -0.92 0.00 0.00 175.35 173.41 1xef n GLY 654 N 5.12 0.71 3.56 -3.33 0.00 -1.26 -5.01 105.19 104.98 1xef n GLY 654 Ca 0.23 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1xef n GLY 654 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xef s ARG 655 N -2.12 1.50 -0.15 1.61 1.70 -0.99 -4.86 118.95 115.65 1xef s ARG 655 Ca 0.00 -1.23 -0.07 0.00 -0.47 0.00 0.00 55.73 53.96 1xef s ARG 655 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1xef s ARG 655 CO 0.00 -0.62 0.09 0.99 -1.08 0.00 0.00 175.30 174.68 1xef s THR 656 N -4.01 5.03 -0.16 4.99 2.01 -0.52 -2.14 115.64 120.83 1xef s THR 656 Ca 0.22 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1xef s THR 656 Cb -0.00 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1xef s THR 656 CO 0.08 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.64 1xef s VAL 657 N -0.22 2.11 -0.20 3.82 1.01 -0.87 -0.09 120.40 125.96 1xef s VAL 657 Ca 0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1xef s VAL 657 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1xef s VAL 657 CO 0.01 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1xef s ILE 658 N 1.05 3.06 -0.23 2.22 1.01 0.14 -0.84 121.20 127.60 1xef s ILE 658 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1xef s ILE 658 Cb -0.14 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1xef s ILE 658 CO -0.07 0.47 -0.14 -0.63 0.00 0.00 0.00 174.94 174.57 1xef s ILE 659 N 1.22 2.10 -0.27 2.92 1.01 0.56 0.31 121.20 129.04 1xef s ILE 659 Ca 0.02 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.11 1xef s ILE 659 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1xef s ILE 659 CO -0.03 0.17 0.62 -0.63 0.00 0.00 0.00 174.94 175.07 1xef s ILE 660 N 1.18 4.98 0.00 2.92 1.01 0.33 -0.09 121.20 131.53 1xef s ILE 660 Ca -0.04 1.05 0.04 0.00 0.00 0.00 0.00 60.65 61.70 1xef s ILE 660 Cb -0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1xef s ILE 660 CO -0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 174.94 174.73 1xef s ALA 661 N 2.52 1.03 -0.09 9.38 0.00 -0.80 -1.51 121.76 132.29 1xef s ALA 661 Ca 0.26 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.70 1xef s ALA 661 Cb -0.15 -0.24 -0.24 0.00 0.00 0.00 0.00 23.12 22.49 1xef s ALA 661 CO 0.09 0.24 0.50 0.00 0.00 0.00 0.00 175.76 176.59 1xef n ALA 662 N 2.59 1.31 -2.61 0.00 0.00 -1.26 -4.55 120.51 115.97 1xef n ALA 662 Ca -0.15 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.10 1xef n ALA 662 Cb 0.56 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1xef n ALA 662 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xef s ARG 663 N -2.58 3.44 0.37 0.00 3.52 -1.26 -4.93 118.95 117.52 1xef s ARG 663 Ca -0.12 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 1xef s ARG 663 Cb 0.07 -4.01 0.72 0.00 -1.56 0.00 0.00 34.95 30.18 1xef s ARG 663 CO 0.80 -1.49 2.01 -0.07 -0.81 0.00 0.00 175.30 175.74 1xef h LEU 664 N 11.20 0.64 -2.72 -0.88 4.07 -1.98 -2.43 115.31 123.21 1xef h LEU 664 Ca -0.25 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1xef h LEU 664 Cb 1.07 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1xef h LEU 664 CO 1.11 0.46 0.02 0.77 -1.08 0.00 0.00 178.44 179.71 1xef h SER 665 N 0.75 0.00 -0.79 -0.43 4.64 -1.99 -2.14 113.55 113.59 1xef h SER 665 Ca 0.23 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1xef h SER 665 Cb -0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1xef h SER 665 CO -0.06 0.00 0.52 0.74 -0.87 0.00 0.00 176.83 177.16 1xef h THR 666 N 0.00 1.21 -0.57 2.95 2.02 -1.86 -3.14 112.91 113.51 1xef h THR 666 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1xef h THR 666 Cb 0.04 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1xef h THR 666 CO -0.00 0.20 0.00 1.33 0.37 0.00 0.00 175.52 177.42 1xef n VAL 667 N -4.52 1.78 -0.25 3.16 0.24 -0.81 -4.62 118.33 113.31 1xef n VAL 667 Ca 0.08 -1.25 0.17 0.00 -2.04 0.00 0.00 64.34 61.30 1xef n VAL 667 Cb 0.02 0.14 0.48 0.00 -1.47 0.00 0.00 33.84 33.00 1xef n VAL 667 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1xef h LYS 668 N 3.61 0.46 -0.51 7.34 3.64 -1.54 -1.44 116.57 128.13 1xef h LYS 668 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1xef h LYS 668 Cb 1.36 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1xef h LYS 668 CO 0.20 0.31 0.07 0.09 -2.27 0.00 0.00 179.45 177.84 1xef n ASN 669 N -4.53 4.79 -4.77 4.20 4.13 -1.26 -4.39 115.26 113.43 1xef n ASN 669 Ca 0.19 -3.08 -0.36 0.00 1.68 0.00 0.00 54.58 53.00 1xef n ASN 669 Cb 0.64 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1xef n ASN 669 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xef s ALA 670 N -2.88 2.80 0.37 5.41 0.00 -0.55 -4.94 121.76 121.97 1xef s ALA 670 Ca 0.51 0.91 0.10 0.00 0.00 0.00 0.00 51.96 53.47 1xef s ALA 670 Cb 0.40 -3.39 0.71 0.00 0.00 0.00 0.00 23.12 20.85 1xef s ALA 670 CO 0.12 -0.78 1.86 -0.44 0.00 0.00 0.00 175.76 176.51 1xef h ASP 671 N 1.54 0.17 -3.36 0.00 3.32 -1.48 -3.43 116.42 113.17 1xef h ASP 671 Ca -0.50 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.34 1xef h ASP 671 Cb 1.26 -0.05 -0.28 0.00 0.22 0.00 0.00 39.33 40.48 1xef h ASP 671 CO 0.58 0.42 -0.41 -0.60 -1.72 0.00 0.00 179.24 177.52 1xef s ARG 672 N -4.49 0.28 -0.17 3.56 3.52 -1.21 -4.63 118.95 115.82 1xef s ARG 672 Ca -0.05 0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1xef s ARG 672 Cb 0.15 -0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1xef s ARG 672 CO 0.74 -0.15 -0.04 0.42 -0.81 0.00 0.00 175.30 175.46 1xef s ILE 673 N 1.18 3.76 -0.19 4.11 1.01 -0.13 -1.38 121.20 129.56 1xef s ILE 673 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1xef s ILE 673 Cb -0.09 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1xef s ILE 673 CO -0.09 0.47 0.06 -0.63 0.00 0.00 0.00 174.94 174.75 1xef s ILE 674 N 0.70 4.70 -0.32 2.92 1.09 0.11 -2.28 121.20 128.11 1xef s ILE 674 Ca -0.02 -0.06 -0.08 0.00 -1.10 0.00 0.00 60.65 59.39 1xef s ILE 674 Cb -0.14 -3.13 0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1xef s ILE 674 CO 0.02 0.44 0.11 -0.69 -0.10 0.00 0.00 174.94 174.73 1xef s VAL 675 N 0.55 4.08 -0.03 2.92 1.01 -0.84 -0.93 120.40 127.17 1xef s VAL 675 Ca 0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1xef s VAL 675 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1xef s VAL 675 CO 0.01 -0.03 0.34 -0.04 0.00 0.00 0.00 175.10 175.38 1xef s MET 676 N 1.50 3.80 -0.18 2.72 -1.94 -0.03 -0.79 119.30 124.38 1xef s MET 676 Ca 0.02 0.28 -0.08 0.00 -1.71 0.00 0.00 55.69 54.20 1xef s MET 676 Cb -0.18 -3.21 0.07 0.00 2.01 0.00 0.00 34.83 33.52 1xef s MET 676 CO 0.04 0.71 0.40 -2.00 -0.01 0.00 0.00 175.02 174.16 1xef s GLU 677 N -1.08 0.34 -1.63 2.03 2.56 -0.24 -4.07 118.70 116.61 1xef s GLU 677 Ca 0.22 0.89 -0.14 0.00 0.00 0.00 0.00 54.97 55.94 1xef s GLU 677 Cb -0.16 0.13 0.12 0.00 2.00 0.00 0.00 34.13 36.22 1xef s GLU 677 CO 0.11 -0.21 0.70 1.63 -0.56 0.00 0.00 175.26 176.94 1xef n LYS 678 N 4.82 -3.27 -0.99 4.30 5.02 -1.26 -1.51 118.16 125.28 1xef n LYS 678 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1xef n LYS 678 Cb 0.52 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 1xef n LYS 678 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xef n GLY 679 N -1.57 0.48 3.32 0.72 0.00 0.01 -4.81 105.19 103.34 1xef n GLY 679 Ca -0.02 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1xef n GLY 679 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xef s LYS 680 N -0.35 1.48 -0.63 1.61 1.02 -0.57 -1.37 119.74 120.93 1xef s LYS 680 Ca 0.00 -1.12 -0.28 0.00 0.02 0.00 0.00 55.97 54.60 1xef s LYS 680 Cb 0.00 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1xef s LYS 680 CO 0.00 0.43 1.22 0.42 -0.92 0.00 0.00 175.35 176.49 1xef s ILE 681 N -0.91 3.94 -0.09 2.17 1.01 -1.26 -1.07 121.20 124.97 1xef s ILE 681 Ca 0.10 0.76 0.14 0.00 0.00 0.00 0.00 60.65 61.65 1xef s ILE 681 Cb -0.10 -4.78 -0.24 0.00 0.01 0.00 0.00 42.46 37.36 1xef s ILE 681 CO 0.03 -1.49 0.47 0.52 0.00 0.00 0.00 174.94 174.47 1xef n VAL 682 N 6.58 1.54 -3.93 2.92 0.31 0.03 -4.96 118.33 120.82 1xef n VAL 682 Ca 0.07 -0.82 -0.08 0.00 -0.01 0.00 0.00 64.34 63.50 1xef n VAL 682 Cb 0.49 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 1xef n VAL 682 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xef s GLU 683 N -2.56 0.83 -0.01 5.55 2.02 -1.20 -5.04 118.70 118.28 1xef s GLU 683 Ca -0.06 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 1xef s GLU 683 Cb 0.07 0.31 0.07 0.00 0.10 0.00 0.00 34.13 34.69 1xef s GLU 683 CO 0.83 -0.25 0.67 -1.14 0.02 0.00 0.00 175.26 175.38 1xef s GLN 684 N -3.89 1.10 0.00 1.61 -0.44 -1.26 -1.98 119.66 114.79 1xef s GLN 684 Ca 0.07 0.11 0.00 0.00 -2.50 0.00 0.00 55.36 53.04 1xef s GLN 684 Cb 0.06 0.52 0.00 0.00 -1.64 0.00 0.00 33.01 31.94 1xef s GLN 684 CO -0.09 -0.38 0.00 0.41 0.50 0.00 0.00 175.29 175.73 1xef n GLY 685 N 0.64 0.84 3.81 2.59 0.00 -0.97 -4.79 105.19 107.31 1xef n GLY 685 Ca -0.19 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1xef n GLY 685 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xef s LYS 686 N -1.61 2.40 0.21 1.61 1.02 -1.26 -0.96 119.74 121.15 1xef s LYS 686 Ca 0.00 0.78 -0.11 0.00 0.02 0.00 0.00 55.97 56.65 1xef s LYS 686 Cb 0.00 -1.94 0.27 0.00 -0.52 0.00 0.00 37.83 35.64 1xef s LYS 686 CO 0.00 -1.43 1.68 1.25 -0.92 0.00 0.00 175.35 175.92 1xef h HIS 687 N -0.96 0.01 0.00 3.18 -0.00 -1.85 -0.37 115.15 115.16 1xef h HIS 687 Ca -0.46 0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 59.82 1xef h HIS 687 Cb 1.25 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.72 1xef h HIS 687 CO 0.53 -0.13 -0.64 0.87 -0.00 0.00 0.00 177.93 178.56 1xef h LYS 688 N 0.14 0.00 -0.12 5.26 1.57 -1.93 -2.88 116.57 118.61 1xef h LYS 688 Ca 0.31 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1xef h LYS 688 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1xef h LYS 688 CO -0.48 0.64 -0.48 0.93 -0.57 0.00 0.00 179.45 179.49 1xef h GLU 689 N 0.00 0.31 0.00 3.15 5.08 -1.63 -2.80 114.58 118.69 1xef h GLU 689 Ca -0.01 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1xef h GLU 689 Cb 1.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1xef h GLU 689 CO 0.08 0.73 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.00 1xef h LEU 690 N 0.25 0.00 0.00 1.33 3.38 -1.04 -3.13 115.31 116.10 1xef h LEU 690 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xef h LEU 690 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xef h LEU 690 CO 0.08 0.75 -0.04 0.18 0.09 0.00 0.00 178.44 179.50 1xef n LEU 691 N -3.54 0.50 0.01 1.67 4.32 -1.10 -3.61 117.00 115.25 1xef n LEU 691 Ca -0.00 0.52 0.05 0.00 -0.02 0.00 0.00 56.01 56.55 1xef n LEU 691 Cb 0.75 -0.38 0.45 0.00 -1.62 0.00 0.00 43.42 42.62 1xef n LEU 691 CO 0.44 -0.10 1.16 0.28 -1.22 0.00 0.00 177.39 177.94 1xef h SER 692 N 0.00 0.43 -3.53 -1.43 0.02 -1.44 -3.35 113.55 104.25 1xef h SER 692 Ca 0.00 -0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.25 1xef h SER 692 Cb 0.64 -0.11 -0.19 0.00 0.14 0.00 0.00 62.40 62.89 1xef h SER 692 CO 0.00 0.31 -0.20 -1.61 -1.14 0.00 0.00 176.83 174.18 1xef s GLU 693 N -5.46 3.09 0.42 3.45 0.41 -1.24 -4.95 118.70 114.43 1xef s GLU 693 Ca -0.08 -0.76 0.20 0.00 -0.41 0.00 0.00 54.97 53.92 1xef s GLU 693 Cb 0.18 -3.97 0.90 0.00 -1.78 0.00 0.00 34.13 29.45 1xef s GLU 693 CO 0.73 -0.86 1.84 -1.00 -0.49 0.00 0.00 175.26 175.48 1xef h PRO 694 N 8.73 0.00 -0.12 0.39 0.13 -1.87 -2.80 132.00 136.47 1xef h PRO 694 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xef h PRO 694 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xef h PRO 694 CO 0.80 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 178.02 1xef n GLU 695 N -3.66 1.56 -1.50 0.86 0.28 -1.26 -4.51 120.64 112.41 1xef n GLU 695 Ca -0.01 -0.84 -0.32 0.00 -0.16 0.00 0.00 57.16 55.83 1xef n GLU 695 Cb 0.41 -1.38 0.07 0.00 1.43 0.00 0.00 31.44 31.97 1xef n GLU 695 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1xef s SER 696 N -1.61 4.89 0.22 -1.84 1.04 -1.06 -4.93 113.70 110.43 1xef s SER 696 Ca 0.32 1.84 -0.06 0.00 0.48 0.00 0.00 55.95 58.53 1xef s SER 696 Cb 0.17 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.97 1xef s SER 696 CO 0.26 -1.77 1.74 0.25 0.98 0.00 0.00 173.24 174.70 1xef h LEU 697 N -0.62 0.97 -0.94 2.42 5.85 -1.91 -2.42 115.31 118.66 1xef h LEU 697 Ca -0.45 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 1xef h LEU 697 Cb 1.23 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1xef h LEU 697 CO 0.53 0.95 0.52 0.22 -0.34 0.00 0.00 178.44 180.33 1xef h TYR 698 N 0.98 1.24 -0.62 1.25 3.20 -1.93 -2.29 116.97 118.79 1xef h TYR 698 Ca 0.20 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1xef h TYR 698 Cb 0.38 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1xef h TYR 698 CO 0.03 0.84 0.10 0.77 -1.64 0.00 0.00 178.16 178.26 1xef h SER 699 N 1.27 0.98 -0.49 -2.11 0.02 -1.73 -1.56 113.55 109.95 1xef h SER 699 Ca 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1xef h SER 699 Cb -0.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1xef h SER 699 CO -0.06 1.00 0.27 0.22 -1.14 0.00 0.00 176.83 177.12 1xef h TYR 700 N 0.93 0.67 -0.37 3.45 3.20 -1.13 -0.49 116.97 123.22 1xef h TYR 700 Ca 0.19 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1xef h TYR 700 Cb 0.43 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1xef h TYR 700 CO 0.03 0.49 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.93 1xef h LEU 701 N 0.64 0.69 -0.54 2.82 3.38 -1.40 -3.03 115.31 117.87 1xef h LEU 701 Ca 0.17 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1xef h LEU 701 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xef h LEU 701 CO -0.03 0.87 0.34 0.22 0.09 0.00 0.00 178.44 179.93 1xef h TYR 702 N 0.50 0.65 0.00 1.13 3.20 -1.05 -1.95 116.97 119.45 1xef h TYR 702 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1xef h TYR 702 Cb 0.54 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xef h TYR 702 CO 0.04 0.39 0.00 1.04 -1.64 0.00 0.00 178.16 177.99 1xef n GLN 703 N -4.74 0.05 0.15 1.82 1.13 -0.21 -1.80 117.38 113.78 1xef n GLN 703 Ca 0.04 0.20 0.12 0.00 -1.94 0.00 0.00 57.00 55.42 1xef n GLN 703 Cb 0.05 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.11 1xef n GLN 703 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1xef h LEU 704 N 0.00 0.00 -8.65 1.08 3.38 -1.23 -3.43 115.31 106.47 1xef h LEU 704 Ca 0.00 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 1xef h LEU 704 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xef h LEU 704 CO 0.00 0.01 1.58 0.00 0.09 0.00 0.00 178.44 180.13 1xef n GLN 705 N -2.68 1.20 -2.32 1.13 6.02 -0.74 -3.71 117.38 116.28 1xef n GLN 705 Ca 0.04 0.17 -0.03 0.00 -0.01 0.00 0.00 57.00 57.17 1xef n GLN 705 Cb 0.49 -3.10 -0.02 0.00 1.02 0.00 0.00 30.24 28.63 1xef n GLN 705 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xef n SER 706 N 13.59 -2.69 0.00 1.08 2.88 -1.26 -5.07 113.62 122.14 1xef n SER 706 Ca 0.38 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1xef n SER 706 Cb 0.44 -4.10 0.00 0.00 -0.75 0.00 0.00 64.21 59.80 1xef n SER 706 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28