#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1c n GLY 524 N 0.00 4.71 3.54 4.97 0.00 -1.25 -5.02 105.19 112.14 1j1c n GLY 524 Ca 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1j1c n GLY 524 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1c s SER 525 N -0.38 -0.09 0.49 1.61 1.04 -1.25 -3.84 113.70 111.28 1j1c s SER 525 Ca 0.00 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.57 1j1c s SER 525 Cb 0.00 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1j1c s SER 525 CO 0.00 -1.09 0.04 0.23 0.98 0.00 0.00 173.24 173.39 1j1c n MET 526 N -0.35 0.71 -3.54 4.02 2.81 -1.26 -4.53 117.12 114.98 1j1c n MET 526 Ca -0.03 -3.68 -0.23 0.00 -1.81 0.00 0.00 57.70 51.95 1j1c n MET 526 Cb 0.62 1.23 -0.15 0.00 -0.71 0.00 0.00 33.22 34.21 1j1c n MET 526 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j1c s LYS 527 N -3.78 0.14 -0.02 0.03 1.02 0.47 -4.98 119.74 112.63 1j1c s LYS 527 Ca 0.05 -0.03 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 1j1c s LYS 527 Cb 0.00 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 1j1c s LYS 527 CO 0.04 -0.73 0.30 0.08 -0.92 0.00 0.00 175.35 174.12 1j1c s VAL 528 N 2.22 5.23 0.00 3.17 1.01 -1.26 -0.45 120.40 130.32 1j1c s VAL 528 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1j1c s VAL 528 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1j1c s VAL 528 CO -0.15 0.49 0.00 -1.54 0.00 0.00 0.00 175.10 173.90 1j1c n SER 529 N 1.55 0.00 -3.65 3.32 3.41 0.02 -4.97 113.62 113.30 1j1c n SER 529 Ca -0.14 -0.71 -0.29 0.00 -0.26 0.00 0.00 58.87 57.47 1j1c n SER 529 Cb 0.53 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1j1c n SER 529 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1j1c s ARG 530 N -1.13 0.74 0.12 4.33 0.52 -1.25 -0.29 118.95 121.98 1j1c s ARG 530 Ca 0.00 -1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 53.68 1j1c s ARG 530 Cb 0.00 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.58 1j1c s ARG 530 CO 0.00 -1.08 1.45 -0.44 0.02 0.00 0.00 175.30 175.25 1j1c h ASP 531 N 7.61 -1.62 -3.76 0.23 3.45 -1.49 -3.45 116.42 117.39 1j1c h ASP 531 Ca -0.08 0.23 0.19 0.00 0.43 0.00 0.00 57.03 57.79 1j1c h ASP 531 Cb 0.98 0.68 -0.24 0.00 -0.56 0.00 0.00 39.33 40.20 1j1c h ASP 531 CO 0.43 -0.28 0.77 -1.59 -1.57 0.00 0.00 179.24 177.00 1j1c s LYS 532 N -5.13 0.32 -0.42 3.56 -2.85 -1.26 -4.95 119.74 109.01 1j1c s LYS 532 Ca -0.11 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 1j1c s LYS 532 Cb 0.08 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1j1c s LYS 532 CO 0.51 -0.11 0.00 -0.25 0.10 0.00 0.00 175.35 175.60 1j1c n ASP 533 N 0.42 -4.02 0.00 0.03 8.00 -1.26 -1.92 116.55 117.80 1j1c n ASP 533 Ca -0.04 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1j1c n ASP 533 Cb 0.58 -1.87 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 1j1c n ASP 533 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j1c n GLY 534 N -1.79 1.08 3.64 0.44 0.00 -1.26 -4.98 105.19 102.32 1j1c n GLY 534 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1j1c n GLY 534 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j1c n SER 535 N 0.00 3.53 -4.70 1.61 2.88 -0.81 -4.89 113.62 111.24 1j1c n SER 535 Ca 0.00 0.73 -0.42 0.00 -1.33 0.00 0.00 58.87 57.85 1j1c n SER 535 Cb 0.00 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 61.98 1j1c n SER 535 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1j1c s LYS 536 N 4.92 4.43 -0.10 -1.46 2.20 -1.26 -1.18 119.74 127.29 1j1c s LYS 536 Ca 0.95 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 58.24 1j1c s LYS 536 Cb -0.54 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1j1c s LYS 536 CO 0.45 -0.28 -0.22 0.08 -0.36 0.00 0.00 175.35 175.02 1j1c s VAL 537 N 1.47 1.91 -0.21 4.02 1.01 0.60 -4.50 120.40 124.72 1j1c s VAL 537 Ca 0.56 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1j1c s VAL 537 Cb -0.26 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1j1c s VAL 537 CO 0.26 0.53 0.02 -0.89 0.00 0.00 0.00 175.10 175.02 1j1c s THR 538 N 0.47 4.13 -0.13 3.92 2.01 -0.47 -0.80 115.64 124.78 1j1c s THR 538 Ca -0.16 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1j1c s THR 538 Cb -0.17 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1j1c s THR 538 CO 0.06 0.42 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.37 1j1c s THR 539 N 1.03 2.83 0.22 -0.82 2.01 0.40 -1.31 115.64 119.99 1j1c s THR 539 Ca 0.02 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1j1c s THR 539 Cb -0.14 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1j1c s THR 539 CO 0.02 0.53 0.02 0.68 -0.69 0.00 0.00 174.62 175.18 1j1c s VAL 540 N 0.40 0.84 -0.32 3.82 -7.23 0.12 -0.40 120.40 117.63 1j1c s VAL 540 Ca -0.12 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.01 1j1c s VAL 540 Cb -0.16 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1j1c s VAL 540 CO 0.06 -0.32 0.04 -0.69 -0.31 0.00 0.00 175.10 173.88 1j1c s VAL 541 N -3.55 3.22 0.19 1.32 1.01 -1.26 -0.33 120.40 120.99 1j1c s VAL 541 Ca 0.28 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1j1c s VAL 541 Cb 0.06 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1j1c s VAL 541 CO 0.08 -0.17 0.03 0.00 0.00 0.00 0.00 175.10 175.04 1j1c s ALA 542 N 1.28 3.28 -0.18 5.51 0.00 0.12 -4.84 121.76 126.94 1j1c s ALA 542 Ca -0.03 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 1j1c s ALA 542 Cb -0.20 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1j1c s ALA 542 CO -0.00 0.45 0.34 0.99 0.00 0.00 0.00 175.76 177.54 1j1c s THR 543 N -1.81 5.26 0.28 0.00 2.01 -0.31 -1.10 115.64 119.97 1j1c s THR 543 Ca 0.29 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1j1c s THR 543 Cb -0.09 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.60 1j1c s THR 543 CO 0.20 0.33 1.11 -2.65 -0.69 0.00 0.00 174.62 172.91 1j1c n PRO 544 N 3.97 1.53 -0.12 4.92 -0.02 -1.26 -1.96 135.00 142.05 1j1c n PRO 544 Ca -0.10 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1j1c n PRO 544 Cb 0.52 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1j1c n PRO 544 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1j1c h GLY 545 N 2.41 0.67 0.00 -1.23 0.00 0.12 -3.41 103.07 101.63 1j1c h GLY 545 Ca -0.41 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.29 1j1c h GLY 545 CO 0.63 0.43 -1.57 -0.18 0.00 0.00 0.00 176.54 175.85 1j1c n GLN 546 N -4.53 0.24 -0.28 4.80 -0.06 -1.26 -4.65 117.38 111.64 1j1c n GLN 546 Ca -0.01 0.07 -0.22 0.00 -2.00 0.00 0.00 57.00 54.84 1j1c n GLN 546 Cb 0.25 -1.07 0.20 0.00 -4.06 0.00 0.00 30.24 25.56 1j1c n GLN 546 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1j1c n GLY 547 N 2.76 -3.66 3.75 1.69 0.00 -1.26 -4.97 105.19 103.50 1j1c n GLY 547 Ca -0.19 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1j1c n GLY 547 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j1c s PRO 548 N -4.53 2.32 -1.12 1.61 0.04 -1.26 -4.82 135.00 127.24 1j1c s PRO 548 Ca 0.48 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1j1c s PRO 548 Cb -0.08 -1.89 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 1j1c s PRO 548 CO 0.39 -1.62 2.04 -3.47 0.04 0.00 0.00 177.00 174.39 1j1c n ASP 549 N -3.09 2.00 -4.03 6.66 2.03 -1.26 -4.65 116.55 114.21 1j1c n ASP 549 Ca 0.10 -2.57 -0.32 0.00 0.52 0.00 0.00 54.79 52.52 1j1c n ASP 549 Cb 0.52 -1.73 -0.14 0.00 -0.72 0.00 0.00 41.12 39.05 1j1c n ASP 549 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1j1c s ARG 550 N 7.74 1.66 0.36 -0.67 0.52 -1.26 -5.03 118.95 122.27 1j1c s ARG 550 Ca 0.77 -2.00 -0.27 0.00 -0.52 0.00 0.00 55.73 53.70 1j1c s ARG 550 Cb -0.03 -3.29 -0.12 0.00 0.52 0.00 0.00 34.95 32.03 1j1c s ARG 550 CO 0.17 -0.99 1.27 -2.30 0.02 0.00 0.00 175.30 173.47 1j1c n PRO 551 N 4.11 2.03 -4.16 3.54 -0.02 -1.26 -4.37 135.00 134.86 1j1c n PRO 551 Ca 0.03 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1j1c n PRO 551 Cb 0.40 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 1j1c n PRO 551 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1j1c s GLN 552 N -1.96 0.80 -0.01 -0.52 -2.07 -0.26 -4.95 119.66 110.69 1j1c s GLN 552 Ca 0.57 -0.95 -0.25 0.00 -1.82 0.00 0.00 55.36 52.91 1j1c s GLN 552 Cb -0.56 -0.79 -0.04 0.00 -1.09 0.00 0.00 33.01 30.53 1j1c s GLN 552 CO 0.61 0.17 0.79 -2.00 -1.32 0.00 0.00 175.29 173.54 1j1c s GLU 553 N -1.76 4.49 -0.08 9.60 2.12 -1.26 -0.70 118.70 131.12 1j1c s GLU 553 Ca -0.02 1.07 0.02 0.00 0.36 0.00 0.00 54.97 56.39 1j1c s GLU 553 Cb -0.10 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1j1c s GLU 553 CO 0.02 0.12 -0.12 0.08 -0.54 0.00 0.00 175.26 174.82 1j1c s VAL 554 N 0.53 1.16 -0.06 3.70 1.01 0.55 -4.95 120.40 122.34 1j1c s VAL 554 Ca 0.41 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1j1c s VAL 554 Cb -0.19 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1j1c s VAL 554 CO 0.22 0.37 -0.23 -0.44 0.00 0.00 0.00 175.10 175.01 1j1c s SER 555 N 0.86 2.90 0.10 3.32 0.01 -1.26 -0.71 113.70 118.93 1j1c s SER 555 Ca -0.11 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 1j1c s SER 555 Cb -0.15 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 1j1c s SER 555 CO 0.01 0.22 0.13 -0.72 0.41 0.00 0.00 173.24 173.29 1j1c s TYR 556 N -0.06 0.40 0.24 2.43 1.13 -0.43 -0.78 117.35 120.27 1j1c s TYR 556 Ca -0.05 -0.84 0.05 0.00 -1.41 0.00 0.00 57.07 54.82 1j1c s TYR 556 Cb -0.14 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1j1c s TYR 556 CO 0.04 -0.53 0.20 0.25 -2.51 0.00 0.00 175.55 172.99 1j1c n THR 557 N -0.05 0.00 -3.89 -3.49 -2.24 0.17 -1.37 114.28 103.40 1j1c n THR 557 Ca -0.12 -1.73 -0.25 0.00 -2.27 0.00 0.00 64.05 59.68 1j1c n THR 557 Cb 0.62 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1j1c n THR 557 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j1c n ASP 558 N -2.04 -0.82 -4.63 3.42 8.00 -1.26 -0.73 116.55 118.48 1j1c n ASP 558 Ca 0.05 -0.98 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 1j1c n ASP 558 Cb 0.43 -3.24 -0.02 0.00 -0.02 0.00 0.00 41.12 38.27 1j1c n ASP 558 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j1c s THR 559 N -3.88 4.26 -0.02 -3.53 2.01 -1.25 -4.36 115.64 108.87 1j1c s THR 559 Ca 0.04 1.43 0.02 0.00 0.31 0.00 0.00 61.69 63.49 1j1c s THR 559 Cb -0.01 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1j1c s THR 559 CO 0.87 -0.51 -0.07 -1.59 -0.69 0.00 0.00 174.62 172.64 1j1c s LYS 560 N 4.02 0.68 0.24 4.92 -2.85 -0.33 -4.93 119.74 121.49 1j1c s LYS 560 Ca 0.52 -0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.96 1j1c s LYS 560 Cb -0.15 -0.66 -0.10 0.00 -2.06 0.00 0.00 37.83 34.86 1j1c s LYS 560 CO 0.21 0.10 1.51 0.08 0.10 0.00 0.00 175.35 177.35 1j1c s VAL 561 N 0.10 2.49 -0.02 1.79 1.01 -1.26 0.57 120.40 125.07 1j1c s VAL 561 Ca -0.01 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1j1c s VAL 561 Cb -0.06 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1j1c s VAL 561 CO -0.00 0.06 0.86 2.30 0.00 0.00 0.00 175.10 178.32 1j1c n ILE 562 N 2.62 0.63 -3.70 2.22 -5.35 0.75 -4.82 119.36 111.71 1j1c n ILE 562 Ca 0.09 -0.70 0.03 0.00 -0.27 0.00 0.00 62.75 61.89 1j1c n ILE 562 Cb 0.39 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1j1c n ILE 562 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j1c s GLY 563 N -1.01 -0.38 -0.29 3.28 0.00 -0.89 -4.94 107.32 103.09 1j1c s GLY 563 Ca 0.06 0.63 -0.22 0.00 0.00 0.00 0.00 44.72 45.19 1j1c s GLY 563 CO 0.01 1.69 1.09 0.21 0.00 0.00 0.00 173.10 176.10 1j1c s ASN 564 N -3.22 -0.39 0.28 1.64 2.47 -1.26 -2.99 114.94 111.47 1j1c s ASN 564 Ca 0.19 0.71 0.03 0.00 0.42 0.00 0.00 52.86 54.21 1j1c s ASN 564 Cb 0.05 0.85 -0.04 0.00 -1.45 0.00 0.00 41.25 40.66 1j1c s ASN 564 CO -0.04 -0.12 0.19 -0.83 -3.72 0.00 0.00 177.10 172.57 1j1c s GLY 565 N 0.50 1.94 0.60 1.21 0.00 -0.30 -5.00 107.32 106.27 1j1c s GLY 565 Ca 0.00 -1.84 0.39 0.00 0.00 0.00 0.00 44.72 43.28 1j1c s GLY 565 CO -0.10 -1.49 2.19 1.48 0.00 0.00 0.00 173.10 175.19 1j1c h SER 566 N 2.33 0.00 0.23 1.64 4.64 -2.02 -2.91 113.55 117.46 1j1c h SER 566 Ca -0.32 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.66 1j1c h SER 566 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1j1c h SER 566 CO 0.47 0.00 -1.95 0.49 -0.87 0.00 0.00 176.83 174.97 1j1c n PHE 567 N -3.01 1.06 -1.80 4.77 0.99 -1.26 -5.09 117.46 113.13 1j1c n PHE 567 Ca -0.02 0.27 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1j1c n PHE 567 Cb 0.15 -1.16 0.00 0.00 -1.00 0.00 0.00 39.48 37.47 1j1c n PHE 567 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j1c n GLY 568 N 1.86 1.58 3.09 1.37 0.00 -1.10 -3.65 105.19 108.34 1j1c n GLY 568 Ca -0.28 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1j1c n GLY 568 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j1c s VAL 569 N -1.08 1.00 -0.25 1.61 1.01 -0.88 -1.15 120.40 120.66 1j1c s VAL 569 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1j1c s VAL 569 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1j1c s VAL 569 CO 0.00 0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.71 1j1c s VAL 570 N -0.38 4.24 0.27 2.92 1.01 -1.16 -1.00 120.40 126.30 1j1c s VAL 570 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1j1c s VAL 570 Cb -0.05 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1j1c s VAL 570 CO -0.00 0.32 0.21 -0.31 0.00 0.00 0.00 175.10 175.32 1j1c s TYR 571 N 1.60 3.04 -0.10 5.22 2.02 -0.58 -0.18 117.35 128.37 1j1c s TYR 571 Ca 0.06 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1j1c s TYR 571 Cb -0.15 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1j1c s TYR 571 CO 0.03 0.45 -0.07 -1.14 -1.57 0.00 0.00 175.55 173.25 1j1c s GLN 572 N -3.87 3.08 0.04 -0.62 0.74 0.19 -0.67 119.66 118.55 1j1c s GLN 572 Ca 0.35 -0.56 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 1j1c s GLN 572 Cb -0.07 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.33 1j1c s GLN 572 CO 0.25 0.49 0.05 0.00 -0.55 0.00 0.00 175.29 175.53 1j1c s ALA 573 N -0.35 0.11 -0.15 1.58 0.00 -0.68 -1.19 121.76 121.08 1j1c s ALA 573 Ca 0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1j1c s ALA 573 Cb -0.12 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1j1c s ALA 573 CO 0.02 -0.32 -0.06 0.21 0.00 0.00 0.00 175.76 175.62 1j1c s LYS 574 N -2.86 3.60 -0.04 0.00 2.20 0.09 -1.07 119.74 121.67 1j1c s LYS 574 Ca -0.03 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 1j1c s LYS 574 Cb 0.00 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1j1c s LYS 574 CO -0.06 0.22 1.36 -0.51 -0.36 0.00 0.00 175.35 176.01 1j1c s LEU 575 N 0.39 4.29 0.28 5.43 1.43 0.22 -0.66 118.68 130.05 1j1c s LEU 575 Ca -0.05 2.00 0.01 0.00 -1.03 0.00 0.00 54.13 55.06 1j1c s LEU 575 Cb -0.15 -3.55 0.65 0.00 0.03 0.00 0.00 46.19 43.17 1j1c s LEU 575 CO 0.03 -0.72 1.69 0.00 0.23 0.00 0.00 176.35 177.58 1j1c n ASP 577 N -5.10 1.84 0.25 0.00 8.00 -1.26 -4.29 116.55 115.98 1j1c n ASP 577 Ca 0.20 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.34 1j1c n ASP 577 Cb 0.60 -0.90 0.66 0.00 -0.02 0.00 0.00 41.12 41.46 1j1c n ASP 577 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1j1c h SER 578 N -1.00 0.00 0.00 -2.24 4.64 -1.97 -3.45 113.55 109.54 1j1c h SER 578 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1j1c h SER 578 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1j1c h SER 578 CO -0.09 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1j1c n GLY 579 N -0.61 1.42 3.76 -0.77 0.00 0.10 -4.98 105.19 104.11 1j1c n GLY 579 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1j1c n GLY 579 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1c s GLU 580 N -0.03 3.46 0.12 1.61 2.02 -1.24 -4.46 118.70 120.18 1j1c s GLU 580 Ca 0.00 2.36 -0.08 0.00 0.02 0.00 0.00 54.97 57.27 1j1c s GLU 580 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 1j1c s GLU 580 CO 0.00 -0.98 0.41 -0.51 0.02 0.00 0.00 175.26 174.21 1j1c s LEU 581 N -3.04 4.30 0.24 1.80 1.43 -1.26 0.69 118.68 122.84 1j1c s LEU 581 Ca 0.65 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1j1c s LEU 581 Cb -0.43 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1j1c s LEU 581 CO 0.53 0.11 0.34 0.68 0.23 0.00 0.00 176.35 178.24 1j1c s VAL 582 N -1.53 0.00 0.06 -1.59 -7.23 -0.23 -3.80 120.40 106.08 1j1c s VAL 582 Ca 0.37 -1.66 0.09 0.00 -1.81 0.00 0.00 61.98 58.97 1j1c s VAL 582 Cb -0.13 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1j1c s VAL 582 CO 0.20 0.00 -0.25 0.00 -0.31 0.00 0.00 175.10 174.75 1j1c s ALA 583 N -4.00 2.35 -0.28 1.32 0.00 0.12 -1.68 121.76 119.59 1j1c s ALA 583 Ca 0.30 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1j1c s ALA 583 Cb 0.02 -0.53 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1j1c s ALA 583 CO 0.11 0.54 0.00 0.42 0.00 0.00 0.00 175.76 176.84 1j1c s ILE 584 N -0.87 1.61 -0.43 0.00 1.01 0.15 -0.08 121.20 122.60 1j1c s ILE 584 Ca 0.13 -1.56 -0.25 0.00 0.00 0.00 0.00 60.65 58.97 1j1c s ILE 584 Cb -0.10 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1j1c s ILE 584 CO 0.03 -0.34 0.89 -0.75 0.00 0.00 0.00 174.94 174.77 1j1c s LYS 585 N 1.30 3.60 -0.27 2.79 2.20 0.33 -1.53 119.74 128.17 1j1c s LYS 585 Ca 0.02 0.23 -0.11 0.00 -0.36 0.00 0.00 55.97 55.74 1j1c s LYS 585 Cb -0.19 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 1j1c s LYS 585 CO -0.11 -1.11 0.21 0.21 -0.36 0.00 0.00 175.35 174.19 1j1c s LYS 586 N 3.56 3.99 0.01 4.03 2.20 -0.17 -0.90 119.74 132.46 1j1c s LYS 586 Ca 0.36 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.75 1j1c s LYS 586 Cb -0.11 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1j1c s LYS 586 CO 0.23 -0.14 -0.13 0.08 -0.36 0.00 0.00 175.35 175.03 1j1c s VAL 587 N 1.64 1.05 0.12 4.02 1.01 -0.13 -2.07 120.40 126.04 1j1c s VAL 587 Ca 0.08 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1j1c s VAL 587 Cb -0.15 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 1j1c s VAL 587 CO 0.10 0.14 1.43 -0.22 0.00 0.00 0.00 175.10 176.54 1j1c s LEU 588 N -0.73 4.37 -0.19 3.92 2.96 -1.24 0.15 118.68 127.92 1j1c s LEU 588 Ca 0.03 2.36 -0.09 0.00 -0.22 0.00 0.00 54.13 56.21 1j1c s LEU 588 Cb -0.06 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1j1c s LEU 588 CO 0.00 -0.69 0.12 -1.58 -1.32 0.00 0.00 176.35 172.88 1j1c s GLN 589 N 1.22 4.12 -0.35 1.98 2.00 0.99 -4.80 119.66 124.82 1j1c s GLN 589 Ca 0.66 -0.24 -0.25 0.00 -2.00 0.00 0.00 55.36 53.52 1j1c s GLN 589 Cb -0.38 -3.37 0.01 0.00 0.80 0.00 0.00 33.01 30.08 1j1c s GLN 589 CO 0.30 0.31 0.90 0.34 -0.50 0.00 0.00 175.29 176.64 1j1c s ASP 590 N 0.32 6.69 0.06 6.67 3.68 -1.26 -4.42 116.67 128.41 1j1c s ASP 590 Ca 0.07 0.62 0.08 0.00 2.13 0.00 0.00 52.55 55.45 1j1c s ASP 590 Cb -0.11 -2.45 0.36 0.00 -1.45 0.00 0.00 42.92 39.26 1j1c s ASP 590 CO -0.01 -0.80 1.24 0.29 0.13 0.00 0.00 175.17 176.02 1j1c n LYS 591 N 6.62 0.03 0.32 4.34 4.01 -1.26 -3.15 118.16 129.09 1j1c n LYS 591 Ca 0.06 0.47 -0.13 0.00 -0.51 0.00 0.00 58.31 58.20 1j1c n LYS 591 Cb 0.48 -1.59 -0.06 0.00 -0.51 0.00 0.00 35.03 33.35 1j1c n LYS 591 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1j1c h ARG 592 N 0.00 -0.83 0.00 1.97 9.65 -2.05 -3.47 114.38 119.65 1j1c h ARG 592 Ca 0.00 0.06 -0.56 0.00 -1.10 0.00 0.00 59.98 58.37 1j1c h ARG 592 Cb 0.07 0.19 -0.11 0.00 -1.39 0.00 0.00 29.97 28.73 1j1c h ARG 592 CO 0.00 -0.55 -0.43 1.19 2.80 0.00 0.00 179.97 182.97 1j1c n PHE 593 N -5.09 0.67 -2.61 2.20 3.72 -1.19 -5.15 117.46 110.01 1j1c n PHE 593 Ca -0.11 -2.34 -0.30 0.00 -0.05 0.00 0.00 57.45 54.65 1j1c n PHE 593 Cb 0.34 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1j1c n PHE 593 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j1c s LYS 594 N -3.57 3.77 -0.21 -1.08 1.02 -1.26 -4.68 119.74 113.73 1j1c s LYS 594 Ca 0.08 0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.36 1j1c s LYS 594 Cb 0.00 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1j1c s LYS 594 CO 0.06 -0.17 1.20 1.21 -0.92 0.00 0.00 175.35 176.73 1j1c s ASN 595 N -3.36 6.95 0.24 2.83 2.47 -1.26 -4.92 114.94 117.89 1j1c s ASN 595 Ca 0.53 1.52 -0.01 0.00 0.42 0.00 0.00 52.86 55.32 1j1c s ASN 595 Cb -0.10 -2.54 0.28 0.00 -1.45 0.00 0.00 41.25 37.44 1j1c s ASN 595 CO 0.35 -0.79 1.65 -0.09 -3.72 0.00 0.00 177.10 174.50 1j1c h ARG 596 N 8.15 0.58 -0.22 0.43 2.43 -1.96 -1.72 114.38 122.07 1j1c h ARG 596 Ca -0.24 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1j1c h ARG 596 Cb 1.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1j1c h ARG 596 CO 0.98 0.82 0.08 1.49 -1.51 0.00 0.00 179.97 181.84 1j1c h GLU 597 N 0.50 0.32 -0.20 0.20 4.81 -1.90 -1.55 114.58 116.76 1j1c h GLU 597 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j1c h GLU 597 Cb 0.78 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1j1c h GLU 597 CO 0.06 0.38 0.09 1.25 -0.73 0.00 0.00 179.01 180.07 1j1c h LEU 598 N 0.19 0.28 -1.15 1.64 5.85 -1.89 0.46 115.31 120.69 1j1c h LEU 598 Ca 0.07 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1j1c h LEU 598 Cb 0.18 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1j1c h LEU 598 CO -0.01 0.35 0.59 1.56 -0.34 0.00 0.00 178.44 180.59 1j1c h GLN 599 N 0.19 0.97 -0.02 1.25 1.08 -1.21 -0.07 115.11 117.30 1j1c h GLN 599 Ca 0.07 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1j1c h GLN 599 Cb 0.15 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1j1c h GLN 599 CO -0.01 0.64 -0.18 0.82 -0.95 0.00 0.00 178.83 179.16 1j1c h ILE 600 N 1.00 1.52 -0.51 2.54 2.04 -1.04 -3.27 117.51 119.79 1j1c h ILE 600 Ca 0.39 -1.78 0.05 0.00 1.00 0.00 0.00 64.86 64.52 1j1c h ILE 600 Cb 0.24 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1j1c h ILE 600 CO -0.15 0.48 0.34 0.24 0.00 0.00 0.00 178.15 179.06 1j1c h MET 601 N -0.49 0.50 0.00 2.37 2.86 -0.53 -2.26 114.93 117.38 1j1c h MET 601 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1j1c h MET 601 Cb 0.88 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1j1c h MET 601 CO 0.04 0.33 -0.17 0.00 1.06 0.00 0.00 176.91 178.16 1j1c h ARG 602 N 0.51 0.00 -0.05 1.72 3.08 -1.07 -2.73 114.38 115.85 1j1c h ARG 602 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1j1c h ARG 602 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1j1c h ARG 602 CO -0.06 0.17 0.00 0.36 -1.07 0.00 0.00 179.97 179.38 1j1c n LYS 603 N -4.01 2.12 -3.50 0.04 2.85 -0.85 -4.66 118.16 110.14 1j1c n LYS 603 Ca -0.02 -1.63 -0.38 0.00 -1.05 0.00 0.00 58.31 55.23 1j1c n LYS 603 Cb 0.25 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1j1c n LYS 603 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j1c s LEU 604 N -1.96 4.39 -0.33 -5.58 1.43 -1.03 -5.04 118.68 110.57 1j1c s LEU 604 Ca 0.32 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1j1c s LEU 604 Cb 0.20 -2.53 0.15 0.00 0.03 0.00 0.00 46.19 44.05 1j1c s LEU 604 CO 0.31 0.23 0.36 -0.62 0.23 0.00 0.00 176.35 176.86 1j1c s ASP 605 N -0.48 1.10 -0.09 2.29 2.15 -1.26 -4.90 116.67 115.48 1j1c s ASP 605 Ca 0.22 -1.01 -0.18 0.00 0.43 0.00 0.00 52.55 52.02 1j1c s ASP 605 Cb -0.15 0.70 0.04 0.00 -0.30 0.00 0.00 42.92 43.21 1j1c s ASP 605 CO 0.10 -0.32 0.43 -2.28 -0.17 0.00 0.00 175.17 172.93 1j1c s HIS 606 N 2.02 -0.40 -0.19 -5.34 2.46 -1.26 -5.05 115.29 107.53 1j1c s HIS 606 Ca 0.13 0.83 0.27 0.00 0.47 0.00 0.00 55.06 56.76 1j1c s HIS 606 Cb -0.14 0.18 1.24 0.00 -0.13 0.00 0.00 32.58 33.73 1j1c s HIS 606 CO -0.20 -0.35 1.82 0.00 -2.47 0.00 0.00 174.74 173.54 1j1c n ASN 608 N -2.51 3.07 -3.85 0.00 3.02 -1.26 -4.82 115.26 108.91 1j1c n ASN 608 Ca 0.01 -3.52 -0.18 0.00 -0.03 0.00 0.00 54.58 50.85 1j1c n ASN 608 Cb 0.19 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.57 1j1c n ASN 608 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j1c s ILE 609 N -3.12 0.31 0.26 2.41 1.01 -1.04 -0.68 121.20 120.35 1j1c s ILE 609 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 1j1c s ILE 609 Cb 0.39 -0.38 -0.12 0.00 0.01 0.00 0.00 42.46 42.37 1j1c s ILE 609 CO 0.04 0.17 1.63 0.55 0.00 0.00 0.00 174.94 177.34 1j1c n VAL 610 N 4.09 0.69 -2.84 2.92 3.14 -0.34 -4.66 118.33 121.33 1j1c n VAL 610 Ca -0.26 -0.17 -0.40 0.00 -2.96 0.00 0.00 64.34 60.54 1j1c n VAL 610 Cb 0.51 -1.96 -0.05 0.00 -1.06 0.00 0.00 33.84 31.28 1j1c n VAL 610 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1j1c s ARG 611 N 0.04 4.63 -0.54 1.45 3.52 -1.26 -4.94 118.95 121.84 1j1c s ARG 611 Ca 0.68 1.30 -0.21 0.00 -0.13 0.00 0.00 55.73 57.37 1j1c s ARG 611 Cb -0.50 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 29.59 1j1c s ARG 611 CO 0.43 0.29 0.75 -1.17 -0.81 0.00 0.00 175.30 174.80 1j1c s LEU 612 N -0.21 4.71 0.01 -0.88 2.96 -1.26 -2.05 118.68 121.97 1j1c s LEU 612 Ca 0.43 -0.82 -0.25 0.00 -0.22 0.00 0.00 54.13 53.26 1j1c s LEU 612 Cb -0.23 -2.53 -0.15 0.00 0.50 0.00 0.00 46.19 43.78 1j1c s LEU 612 CO 0.27 -1.06 1.14 0.03 -1.32 0.00 0.00 176.35 175.41 1j1c h ARG 613 N 9.16 -0.68 -2.88 1.98 3.08 -0.57 -3.35 114.38 121.12 1j1c h ARG 613 Ca -0.27 0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.89 1j1c h ARG 613 Cb 1.09 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1j1c h ARG 613 CO 1.03 -0.38 0.30 1.52 -1.07 0.00 0.00 179.97 181.38 1j1c s TYR 614 N -4.61 -0.07 0.05 3.04 1.13 -1.18 0.15 117.35 115.86 1j1c s TYR 614 Ca -0.14 -0.43 -0.00 0.00 -1.41 0.00 0.00 57.07 55.09 1j1c s TYR 614 Cb 0.02 0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 41.58 1j1c s TYR 614 CO 0.46 -1.26 -0.04 -0.59 -2.51 0.00 0.00 175.55 171.61 1j1c s PHE 615 N -3.24 0.56 0.12 -3.49 -0.71 -0.83 -0.27 117.98 110.12 1j1c s PHE 615 Ca 0.13 -0.91 -0.24 0.00 -1.04 0.00 0.00 56.93 54.87 1j1c s PHE 615 Cb -0.05 -0.38 0.07 0.00 -1.21 0.00 0.00 43.02 41.45 1j1c s PHE 615 CO 0.08 -0.28 0.60 -0.59 -1.34 0.00 0.00 175.22 173.68 1j1c s PHE 616 N -3.30 -0.53 0.03 3.49 -0.71 -0.70 -1.16 117.98 115.10 1j1c s PHE 616 Ca 0.03 0.43 0.00 0.00 -1.04 0.00 0.00 56.93 56.36 1j1c s PHE 616 Cb 0.03 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1j1c s PHE 616 CO -0.07 -0.80 0.12 0.71 -1.34 0.00 0.00 175.22 173.85 1j1c s TYR 617 N -3.31 3.34 -0.01 3.49 2.02 -1.26 -0.45 117.35 121.18 1j1c s TYR 617 Ca -0.01 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 1j1c s TYR 617 Cb -0.01 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1j1c s TYR 617 CO -0.09 0.57 -0.03 -1.54 -1.57 0.00 0.00 175.55 172.89 1j1c s SER 618 N -2.08 0.36 -0.27 2.29 1.04 -0.45 -3.89 113.70 110.70 1j1c s SER 618 Ca 0.27 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 1j1c s SER 618 Cb -0.12 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1j1c s SER 618 CO 0.19 0.02 1.15 -0.94 0.98 0.00 0.00 173.24 174.64 1j1c s SER 619 N 0.08 6.91 -0.32 7.02 1.04 -1.25 -0.94 113.70 126.24 1j1c s SER 619 Ca -0.00 1.26 -0.28 0.00 0.48 0.00 0.00 55.95 57.41 1j1c s SER 619 Cb -0.03 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1j1c s SER 619 CO -0.00 -0.86 1.81 -0.83 0.98 0.00 0.00 173.24 174.34 1j1c s GLY 620 N 1.85 0.80 0.00 7.32 0.00 -0.20 -4.79 107.32 112.30 1j1c s GLY 620 Ca 0.49 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1j1c s GLY 620 CO 0.15 3.28 0.16 1.18 0.00 0.00 0.00 173.10 177.86 1j1c n GLU 621 N 8.43 0.00 0.10 2.90 -0.58 -1.26 -1.46 120.64 128.77 1j1c n GLU 621 Ca 0.23 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.08 1j1c n GLU 621 Cb 0.47 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1j1c n GLU 621 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1j1c h LYS 622 N 0.00 0.00 0.00 3.49 1.57 -1.91 -3.50 116.57 116.22 1j1c h LYS 622 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j1c h LYS 622 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j1c h LYS 622 CO 0.00 0.03 0.00 1.17 -0.57 0.00 0.00 179.45 180.08 1j1c n LYS 623 N -2.72 0.00 -0.34 3.15 4.81 -0.53 -4.94 118.16 117.59 1j1c n LYS 623 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.40 1j1c n LYS 623 Cb 0.57 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.71 1j1c n LYS 623 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1j1c n ASP 624 N 0.00 2.93 -4.73 3.14 3.85 -1.26 -4.61 116.55 115.87 1j1c n ASP 624 Ca 0.00 -2.41 -0.40 0.00 -0.71 0.00 0.00 54.79 51.27 1j1c n ASP 624 Cb 0.00 -0.59 -0.05 0.00 -1.35 0.00 0.00 41.12 39.14 1j1c n ASP 624 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 1j1c s GLU 625 N -1.24 4.44 -0.09 0.11 -1.05 -1.26 -5.02 118.70 114.59 1j1c s GLU 625 Ca 0.17 0.93 -0.02 0.00 -0.15 0.00 0.00 54.97 55.90 1j1c s GLU 625 Cb 0.14 -3.41 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1j1c s GLU 625 CO 0.04 0.16 -0.00 0.08 0.95 0.00 0.00 175.26 176.49 1j1c s VAL 626 N 0.45 4.28 -0.10 1.83 1.01 -1.26 -1.03 120.40 125.59 1j1c s VAL 626 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1j1c s VAL 626 Cb -0.19 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1j1c s VAL 626 CO 0.20 0.60 -0.13 -0.31 0.00 0.00 0.00 175.10 175.46 1j1c s TYR 627 N -0.82 2.78 -0.13 5.22 1.51 -0.12 -0.01 117.35 125.80 1j1c s TYR 627 Ca 0.12 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 1j1c s TYR 627 Cb -0.11 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1j1c s TYR 627 CO 0.02 -0.03 0.41 -1.17 -1.11 0.00 0.00 175.55 173.67 1j1c s LEU 628 N -0.10 4.27 -0.24 -1.29 2.96 0.12 -1.34 118.68 123.07 1j1c s LEU 628 Ca -0.02 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 1j1c s LEU 628 Cb -0.14 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 43.99 1j1c s LEU 628 CO 0.04 0.05 -0.07 0.20 -1.32 0.00 0.00 176.35 175.25 1j1c s ASN 629 N 0.51 4.25 -0.28 3.68 0.01 0.40 -0.95 114.94 122.55 1j1c s ASN 629 Ca 0.23 -0.81 -0.11 0.00 -0.71 0.00 0.00 52.86 51.45 1j1c s ASN 629 Cb -0.14 -1.66 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1j1c s ASN 629 CO 0.08 -0.11 0.19 -0.76 -1.51 0.00 0.00 177.10 174.99 1j1c s LEU 630 N 1.34 4.05 -0.39 0.60 1.43 -0.08 -1.72 118.68 123.91 1j1c s LEU 630 Ca 0.01 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 1j1c s LEU 630 Cb -0.16 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1j1c s LEU 630 CO -0.05 -0.06 0.45 -0.69 0.23 0.00 0.00 176.35 176.23 1j1c s VAL 631 N 1.76 5.07 0.30 -1.59 1.01 0.62 -0.51 120.40 127.06 1j1c s VAL 631 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.06 1j1c s VAL 631 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1j1c s VAL 631 CO 0.11 -0.32 0.01 -0.76 0.00 0.00 0.00 175.10 174.14 1j1c s LEU 632 N 2.22 3.11 0.44 3.92 1.43 0.89 0.23 118.68 130.91 1j1c s LEU 632 Ca 0.14 -0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 1j1c s LEU 632 Cb -0.16 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.39 1j1c s LEU 632 CO 0.14 -0.10 1.34 -1.81 0.23 0.00 0.00 176.35 176.14 1j1c s ASP 633 N -3.70 6.06 -0.04 2.29 -0.00 -0.87 -0.71 116.67 119.70 1j1c s ASP 633 Ca 0.33 2.72 -0.18 0.00 -0.00 0.00 0.00 52.55 55.43 1j1c s ASP 633 Cb -0.04 -2.64 -0.05 0.00 -0.00 0.00 0.00 42.92 40.19 1j1c s ASP 633 CO 0.20 -1.03 0.49 -0.47 -0.00 0.00 0.00 175.17 174.36 1j1c s TYR 634 N -1.27 3.64 -0.09 4.23 6.14 -1.25 -4.43 117.35 124.33 1j1c s TYR 634 Ca 0.60 1.02 0.02 0.00 0.64 0.00 0.00 57.07 59.35 1j1c s TYR 634 Cb -0.39 -2.48 0.02 0.00 0.42 0.00 0.00 41.96 39.52 1j1c s TYR 634 CO 0.50 0.39 -0.13 0.08 0.64 0.00 0.00 175.55 177.03 1j1c s VAL 635 N -0.22 1.28 0.40 3.14 1.01 -1.26 -4.95 120.40 119.80 1j1c s VAL 635 Ca 0.27 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1j1c s VAL 635 Cb -0.17 -1.18 0.27 0.00 0.00 0.00 0.00 36.38 35.30 1j1c s VAL 635 CO 0.13 0.40 2.05 1.55 0.00 0.00 0.00 175.10 179.23 1j1c h PRO 636 N 7.36 0.59 -5.10 2.72 0.13 -1.98 -3.46 132.00 132.27 1j1c h PRO 636 Ca -0.31 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.21 1j1c h PRO 636 Cb 1.17 -0.13 -0.13 0.00 0.13 0.00 0.00 31.00 32.04 1j1c h PRO 636 CO 0.47 0.39 -0.53 -1.21 -0.23 0.00 0.00 178.00 176.90 1j1c s GLU 637 N -5.54 1.95 0.03 0.86 0.41 -0.42 -4.99 118.70 111.01 1j1c s GLU 637 Ca -0.09 -2.19 0.01 0.00 -0.41 0.00 0.00 54.97 52.29 1j1c s GLU 637 Cb 0.18 -0.82 -0.02 0.00 -1.78 0.00 0.00 34.13 31.68 1j1c s GLU 637 CO 0.74 -0.42 -0.05 0.95 -0.49 0.00 0.00 175.26 175.98 1j1c s THR 638 N -3.15 0.33 0.39 3.63 -4.23 -1.26 -0.04 115.64 111.31 1j1c s THR 638 Ca 0.22 -0.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.85 1j1c s THR 638 Cb 0.03 -0.44 0.32 0.00 1.34 0.00 0.00 72.50 73.75 1j1c s THR 638 CO 0.13 -0.42 1.93 0.58 -0.54 0.00 0.00 174.62 176.30 1j1c h VAL 639 N 4.58 0.91 -0.14 2.29 2.07 -0.73 -1.90 116.25 123.34 1j1c h VAL 639 Ca -0.34 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1j1c h VAL 639 Cb 1.21 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1j1c h VAL 639 CO 0.41 0.11 -0.04 0.22 0.02 0.00 0.00 177.57 178.30 1j1c h TYR 640 N 0.61 -0.08 -0.23 1.57 5.03 -1.65 -0.05 116.97 122.18 1j1c h TYR 640 Ca 0.35 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.62 1j1c h TYR 640 Cb 0.53 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 1j1c h TYR 640 CO -0.00 -0.06 -0.04 0.00 -1.32 0.00 0.00 178.16 176.73 1j1c h ARG 641 N -0.00 0.43 -0.23 1.82 3.08 -1.69 -2.18 114.38 115.61 1j1c h ARG 641 Ca 0.07 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1j1c h ARG 641 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1j1c h ARG 641 CO -0.14 0.65 0.15 0.28 -1.07 0.00 0.00 179.97 179.84 1j1c h VAL 642 N 0.17 1.07 -0.69 2.04 2.07 -1.28 -1.02 116.25 118.61 1j1c h VAL 642 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1j1c h VAL 642 Cb 0.49 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1j1c h VAL 642 CO 0.02 0.07 0.38 0.00 0.02 0.00 0.00 177.57 178.05 1j1c h ALA 643 N 1.07 1.36 -0.31 1.67 0.00 -1.00 -2.03 119.26 120.03 1j1c h ALA 643 Ca 0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1j1c h ALA 643 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1j1c h ALA 643 CO -0.02 0.52 -0.21 -0.09 0.00 0.00 0.00 179.25 179.45 1j1c h ARG 644 N 0.96 0.58 -0.23 0.00 2.43 -0.98 -0.07 114.38 117.07 1j1c h ARG 644 Ca 0.24 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1j1c h ARG 644 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1j1c h ARG 644 CO -0.04 0.75 0.14 0.45 -1.51 0.00 0.00 179.97 179.76 1j1c h HIS 645 N 0.51 0.30 -0.24 2.20 3.86 -0.47 -0.33 115.15 120.98 1j1c h HIS 645 Ca 0.08 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 1j1c h HIS 645 Cb 0.65 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1j1c h HIS 645 CO 0.03 0.23 -0.34 1.88 0.86 0.00 0.00 177.93 180.58 1j1c h TYR 646 N 0.28 0.60 -0.48 2.45 -1.99 -1.30 -2.74 116.97 113.80 1j1c h TYR 646 Ca 0.08 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 1j1c h TYR 646 Cb 0.02 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1j1c h TYR 646 CO -0.05 0.80 0.07 1.03 -0.00 0.00 0.00 178.16 180.01 1j1c h SER 647 N 0.44 0.78 0.13 3.88 0.87 -0.62 0.36 113.55 119.38 1j1c h SER 647 Ca 0.05 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1j1c h SER 647 Cb 0.81 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1j1c h SER 647 CO 0.07 0.85 -0.06 0.03 -0.53 0.00 0.00 176.83 177.18 1j1c h ARG 648 N 0.68 -0.17 -0.02 2.24 3.08 -0.99 -0.99 114.38 118.20 1j1c h ARG 648 Ca 0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1j1c h ARG 648 Cb 0.41 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1j1c h ARG 648 CO 0.01 -0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 1j1c n ALA 649 N -2.20 1.94 -2.96 0.04 0.00 -1.04 -4.79 120.51 111.50 1j1c n ALA 649 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1j1c n ALA 649 Cb 0.12 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 1j1c n ALA 649 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j1c n LYS 650 N -0.46 -3.02 -4.19 0.00 5.02 -0.37 -4.95 118.16 110.19 1j1c n LYS 650 Ca 0.00 0.52 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 1j1c n LYS 650 Cb 0.01 -5.19 -0.04 0.00 -0.02 0.00 0.00 35.03 29.78 1j1c n LYS 650 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1j1c s GLN 651 N -5.59 2.23 0.04 1.97 -0.21 0.12 -5.01 119.66 113.22 1j1c s GLN 651 Ca 0.23 -2.07 0.06 0.00 0.02 0.00 0.00 55.36 53.61 1j1c s GLN 651 Cb -0.12 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 1j1c s GLN 651 CO 0.28 -0.40 -0.18 -0.08 -2.12 0.00 0.00 175.29 172.79 1j1c s THR 652 N -2.75 1.44 0.18 -0.19 -1.32 -1.26 -3.97 115.64 107.77 1j1c s THR 652 Ca 0.29 -1.11 -0.31 0.00 -1.21 0.00 0.00 61.69 59.34 1j1c s THR 652 Cb 0.01 -1.27 -0.10 0.00 -1.51 0.00 0.00 72.50 69.63 1j1c s THR 652 CO 0.17 0.13 1.54 -0.22 -2.21 0.00 0.00 174.62 174.03 1j1c s LEU 653 N -1.15 4.37 0.25 9.08 2.96 -1.26 -4.91 118.68 128.03 1j1c s LEU 653 Ca 0.05 2.62 -0.30 0.00 -0.22 0.00 0.00 54.13 56.28 1j1c s LEU 653 Cb -0.08 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 1j1c s LEU 653 CO 0.02 -0.80 1.28 -2.65 -1.32 0.00 0.00 176.35 172.87 1j1c n PRO 654 N 3.69 1.79 -0.06 0.98 -0.02 -1.26 -4.78 135.00 135.34 1j1c n PRO 654 Ca 0.13 0.63 0.24 0.00 -2.02 0.00 0.00 63.50 62.47 1j1c n PRO 654 Cb 0.39 -2.20 0.71 0.00 -0.02 0.00 0.00 33.50 32.38 1j1c n PRO 654 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j1c h VAL 655 N 2.73 0.63 -0.74 -1.45 2.07 -1.98 -0.90 116.25 116.60 1j1c h VAL 655 Ca -0.44 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1j1c h VAL 655 Cb 1.30 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1j1c h VAL 655 CO 0.70 0.00 0.48 -0.29 0.02 0.00 0.00 177.57 178.48 1j1c h ILE 656 N 0.00 1.19 -0.21 4.57 6.09 -1.99 0.12 117.51 127.28 1j1c h ILE 656 Ca 0.32 -0.37 -0.21 0.00 -1.37 0.00 0.00 64.86 63.23 1j1c h ILE 656 Cb 1.29 0.11 0.01 0.00 0.47 0.00 0.00 36.82 38.70 1j1c h ILE 656 CO -0.00 0.19 -0.68 1.88 -3.07 0.00 0.00 178.15 176.47 1j1c h TYR 657 N 1.01 1.07 -0.73 2.19 -1.99 -1.51 -1.37 116.97 115.63 1j1c h TYR 657 Ca 0.27 -0.43 0.04 0.00 2.00 0.00 0.00 58.73 60.61 1j1c h TYR 657 Cb -0.10 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.40 1j1c h TYR 657 CO 0.00 1.26 0.45 0.28 -0.00 0.00 0.00 178.16 180.15 1j1c h VAL 658 N 0.59 1.06 0.09 -2.88 2.07 -1.09 0.14 116.25 116.24 1j1c h VAL 658 Ca -0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1j1c h VAL 658 Cb 1.30 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1j1c h VAL 658 CO 0.14 0.16 -0.04 0.11 0.02 0.00 0.00 177.57 177.96 1j1c h LYS 659 N 0.86 -0.12 -0.36 1.57 1.57 -0.66 -1.37 116.57 118.06 1j1c h LYS 659 Ca 0.30 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1j1c h LYS 659 Cb 0.08 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1j1c h LYS 659 CO -0.13 0.06 0.24 -0.07 -0.57 0.00 0.00 179.45 178.97 1j1c h LEU 660 N -0.27 0.41 -0.06 2.94 3.38 -0.83 -0.89 115.31 119.99 1j1c h LEU 660 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1j1c h LEU 660 Cb 0.23 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1j1c h LEU 660 CO 0.02 0.29 -0.00 1.88 0.09 0.00 0.00 178.44 180.72 1j1c h TYR 661 N 0.48 0.12 -0.72 1.13 0.05 -0.71 -2.33 116.97 115.00 1j1c h TYR 661 Ca 0.13 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 1j1c h TYR 661 Cb -0.05 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1j1c h TYR 661 CO -0.05 0.40 0.25 0.52 -1.05 0.00 0.00 178.16 178.22 1j1c h MET 662 N -0.19 1.10 -0.11 4.88 2.86 -1.23 -0.56 114.93 121.69 1j1c h MET 662 Ca 0.02 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1j1c h MET 662 Cb 0.36 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1j1c h MET 662 CO 0.00 0.93 0.03 -0.92 1.06 0.00 0.00 176.91 178.01 1j1c h TYR 663 N 1.04 0.05 -0.51 -0.22 5.03 -1.16 0.05 116.97 121.25 1j1c h TYR 663 Ca 0.23 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1j1c h TYR 663 Cb 0.27 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 1j1c h TYR 663 CO 0.02 0.02 0.21 1.96 -1.32 0.00 0.00 178.16 179.05 1j1c h GLN 664 N 0.08 0.73 -0.39 1.82 4.20 -1.18 -1.36 115.11 119.01 1j1c h GLN 664 Ca 0.05 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1j1c h GLN 664 Cb 0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1j1c h GLN 664 CO -0.06 0.60 0.08 1.25 -0.67 0.00 0.00 178.83 180.03 1j1c h LEU 665 N 0.72 0.61 -1.49 1.46 5.85 -0.34 -1.99 115.31 120.13 1j1c h LEU 665 Ca 0.18 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1j1c h LEU 665 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1j1c h LEU 665 CO -0.02 0.70 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.38 1j1c h PHE 666 N 0.50 0.16 -0.26 1.25 0.05 -0.50 -1.17 116.94 116.96 1j1c h PHE 666 Ca 0.12 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.84 1j1c h PHE 666 Cb 0.34 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.24 1j1c h PHE 666 CO 0.02 0.30 -0.07 0.00 -0.18 0.00 0.00 178.31 178.38 1j1c h ARG 667 N 0.15 0.50 -0.78 1.51 3.08 -0.92 0.46 114.38 118.38 1j1c h ARG 667 Ca 0.03 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1j1c h ARG 667 Cb 0.35 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1j1c h ARG 667 CO 0.02 0.72 0.40 0.66 -1.07 0.00 0.00 179.97 180.71 1j1c h SER 668 N 0.25 0.99 -0.41 7.04 4.64 -0.94 -1.71 113.55 123.41 1j1c h SER 668 Ca 0.07 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1j1c h SER 668 Cb 0.54 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1j1c h SER 668 CO 0.03 0.82 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.58 1j1c h LEU 669 N 1.10 0.85 -1.40 5.97 3.38 -1.03 -1.64 115.31 122.55 1j1c h LEU 669 Ca 0.27 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1j1c h LEU 669 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1j1c h LEU 669 CO -0.04 1.05 0.42 0.00 0.09 0.00 0.00 178.44 179.95 1j1c h ALA 670 N 0.83 1.61 0.24 1.53 0.00 -0.54 -1.08 119.26 121.85 1j1c h ALA 670 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j1c h ALA 670 Cb 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j1c h ALA 670 CO 0.05 0.34 -0.11 -0.92 0.00 0.00 0.00 179.25 178.61 1j1c h TYR 671 N 0.80 -0.30 -0.37 0.00 5.03 -0.95 -2.46 116.97 118.72 1j1c h TYR 671 Ca 0.24 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 1j1c h TYR 671 Cb -0.00 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 1j1c h TYR 671 CO -0.00 0.08 -0.10 -0.84 -1.32 0.00 0.00 178.16 175.98 1j1c h ILE 672 N -0.80 1.24 -0.11 1.81 3.07 -1.24 -2.60 117.51 118.88 1j1c h ILE 672 Ca -0.03 -1.07 -0.04 0.00 1.55 0.00 0.00 64.86 65.26 1j1c h ILE 672 Cb 0.51 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 1j1c h ILE 672 CO 0.05 0.36 -0.14 0.45 -1.05 0.00 0.00 178.15 177.83 1j1c h HIS 673 N 0.59 0.18 0.00 0.16 3.86 -1.19 -1.12 115.15 117.63 1j1c h HIS 673 Ca 0.11 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1j1c h HIS 673 Cb 0.52 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1j1c h HIS 673 CO 0.02 0.31 0.00 -1.13 0.86 0.00 0.00 177.93 177.99 1j1c n SER 674 N -4.29 0.60 -0.87 2.45 3.41 -0.93 0.45 113.62 114.44 1j1c n SER 674 Ca -0.01 0.74 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1j1c n SER 674 Cb 0.26 -0.83 0.13 0.00 -0.26 0.00 0.00 64.21 63.50 1j1c n SER 674 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j1c n PHE 675 N -2.26 0.19 -0.93 7.33 3.72 -0.48 -4.95 117.46 120.09 1j1c n PHE 675 Ca -0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1j1c n PHE 675 Cb 0.09 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1j1c n PHE 675 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j1c n GLY 676 N 1.15 0.85 3.71 1.37 0.00 0.17 -4.97 105.19 107.48 1j1c n GLY 676 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1j1c n GLY 676 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j1c s ILE 677 N -3.37 4.98 -0.15 -0.61 1.01 -0.86 -1.58 121.20 120.62 1j1c s ILE 677 Ca 0.00 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1j1c s ILE 677 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1j1c s ILE 677 CO 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 174.94 175.10 1j1c h HIS 679 N 6.55 0.77 0.00 0.00 2.76 -1.90 -1.29 115.15 122.04 1j1c h HIS 679 Ca -0.34 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1j1c h HIS 679 Cb 1.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1j1c h HIS 679 CO 0.54 0.87 0.00 0.54 -1.30 0.00 0.00 177.93 178.58 1j1c n ARG 680 N -4.38 -0.73 -2.73 5.26 1.74 -1.26 -2.43 116.66 112.13 1j1c n ARG 680 Ca -0.02 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.20 1j1c n ARG 680 Cb 0.37 -4.03 0.08 0.00 -1.02 0.00 0.00 32.46 27.85 1j1c n ARG 680 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j1c n ASP 681 N -0.36 0.07 -4.68 0.55 2.03 -1.26 -2.22 116.55 110.68 1j1c n ASP 681 Ca 0.00 -2.31 -0.42 0.00 0.52 0.00 0.00 54.79 52.58 1j1c n ASP 681 Cb 0.18 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 1j1c n ASP 681 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j1c s ILE 682 N -1.84 3.99 0.08 5.18 -1.09 -1.26 -4.83 121.20 121.42 1j1c s ILE 682 Ca 0.21 1.30 -0.26 0.00 -2.23 0.00 0.00 60.65 59.68 1j1c s ILE 682 Cb 0.40 -3.84 0.09 0.00 -1.58 0.00 0.00 42.46 37.53 1j1c s ILE 682 CO -0.06 -0.04 0.74 -1.59 -1.23 0.00 0.00 174.94 172.77 1j1c s LYS 683 N 2.77 1.05 0.45 2.79 -2.85 -1.26 -4.83 119.74 117.86 1j1c s LYS 683 Ca 0.60 -0.38 0.23 0.00 -1.00 0.00 0.00 55.97 55.42 1j1c s LYS 683 Cb -0.27 0.48 1.22 0.00 -2.06 0.00 0.00 37.83 37.20 1j1c s LYS 683 CO 0.23 -0.46 1.82 -1.35 0.10 0.00 0.00 175.35 175.69 1j1c h PRO 684 N 2.00 0.27 0.00 1.78 0.11 -1.95 -0.84 132.00 133.38 1j1c h PRO 684 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1j1c h PRO 684 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j1c h PRO 684 CO 0.34 0.18 0.00 1.96 -0.21 0.00 0.00 178.00 180.27 1j1c h GLN 685 N 0.28 0.00 -0.58 1.05 4.20 -1.95 -2.21 115.11 115.90 1j1c h GLN 685 Ca 0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.23 1j1c h GLN 685 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1j1c h GLN 685 CO -0.17 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.08 1j1c n ASN 686 N -2.40 4.65 -4.03 1.46 3.02 -0.32 -4.78 115.26 112.86 1j1c n ASN 686 Ca 0.03 -2.53 -0.32 0.00 -0.03 0.00 0.00 54.58 51.73 1j1c n ASN 686 Cb 0.31 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 1j1c n ASN 686 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j1c s LEU 687 N -1.99 4.81 0.40 3.41 1.43 -1.11 -1.55 118.68 124.08 1j1c s LEU 687 Ca 0.48 -2.20 -0.23 0.00 -1.03 0.00 0.00 54.13 51.15 1j1c s LEU 687 Cb 0.32 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.79 1j1c s LEU 687 CO 0.21 -0.39 0.98 -0.76 0.23 0.00 0.00 176.35 176.62 1j1c s LEU 688 N 0.85 4.10 0.01 1.79 1.43 -0.29 -0.46 118.68 126.12 1j1c s LEU 688 Ca 0.11 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 1j1c s LEU 688 Cb -0.20 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 1j1c s LEU 688 CO -0.07 -0.35 -0.05 -0.76 0.23 0.00 0.00 176.35 175.35 1j1c s LEU 689 N -2.74 2.09 -0.37 1.79 1.43 0.95 -0.78 118.68 121.04 1j1c s LEU 689 Ca 0.58 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1j1c s LEU 689 Cb -0.16 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 45.96 1j1c s LEU 689 CO 0.20 -0.05 0.15 -0.62 0.23 0.00 0.00 176.35 176.26 1j1c s ASP 690 N -0.61 5.27 0.19 2.29 -1.08 -0.40 -1.30 116.67 121.03 1j1c s ASP 690 Ca -0.03 -1.52 -0.13 0.00 -0.52 0.00 0.00 52.55 50.34 1j1c s ASP 690 Cb -0.05 -1.85 0.20 0.00 -1.46 0.00 0.00 42.92 39.77 1j1c s ASP 690 CO -0.00 -0.43 1.69 -0.65 0.52 0.00 0.00 175.17 176.30 1j1c h PRO 691 N 8.16 0.13 -0.54 4.34 0.11 -1.95 0.46 132.00 142.70 1j1c h PRO 691 Ca -0.20 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1j1c h PRO 691 Cb 1.07 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1j1c h PRO 691 CO 0.65 0.08 0.23 -0.44 -0.21 0.00 0.00 178.00 178.31 1j1c h ASP 692 N 0.13 0.73 0.64 -2.05 3.45 -1.98 -3.06 116.42 114.28 1j1c h ASP 692 Ca 0.26 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1j1c h ASP 692 Cb 0.39 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1j1c h ASP 692 CO -0.41 0.69 -0.82 0.35 -1.57 0.00 0.00 179.24 177.47 1j1c n THR 693 N -4.53 0.25 -1.72 0.35 -2.24 -1.13 -4.95 114.28 100.30 1j1c n THR 693 Ca 0.02 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 1j1c n THR 693 Cb 0.15 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 1j1c n THR 693 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j1c n ALA 694 N -1.82 -0.29 -2.18 6.98 0.00 0.16 -4.21 120.51 119.14 1j1c n ALA 694 Ca 0.03 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1j1c n ALA 694 Cb 0.43 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1j1c n ALA 694 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1j1c s VAL 695 N -2.61 4.54 -0.05 0.00 1.01 -1.14 -4.77 120.40 117.39 1j1c s VAL 695 Ca 0.00 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1j1c s VAL 695 Cb 0.00 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1j1c s VAL 695 CO 0.00 0.45 -0.18 -0.22 0.00 0.00 0.00 175.10 175.15 1j1c s LEU 696 N -0.63 2.52 -0.08 3.92 0.20 -1.26 -1.27 118.68 122.08 1j1c s LEU 696 Ca 0.37 -0.29 -0.00 0.00 0.69 0.00 0.00 54.13 54.90 1j1c s LEU 696 Cb -0.22 -1.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1j1c s LEU 696 CO 0.25 0.32 -0.05 -0.54 -0.29 0.00 0.00 176.35 176.03 1j1c s LYS 697 N -0.58 1.16 0.31 1.98 1.02 0.04 -4.42 119.74 119.24 1j1c s LYS 697 Ca 0.08 -0.14 -0.29 0.00 0.02 0.00 0.00 55.97 55.64 1j1c s LYS 697 Cb -0.11 -1.25 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 1j1c s LYS 697 CO 0.01 -0.21 1.23 -1.17 -0.92 0.00 0.00 175.35 174.29 1j1c s LEU 698 N 1.50 4.48 0.00 3.17 2.96 0.14 -1.13 118.68 129.80 1j1c s LEU 698 Ca -0.00 2.52 0.07 0.00 -0.22 0.00 0.00 54.13 56.50 1j1c s LEU 698 Cb -0.13 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1j1c s LEU 698 CO -0.04 -0.38 0.26 0.00 -1.32 0.00 0.00 176.35 174.87 1j1c n ASP 700 N -1.62 -7.00 -2.13 0.00 -0.08 -1.26 -4.85 116.55 99.60 1j1c n ASP 700 Ca 0.05 0.65 -0.18 0.00 -1.51 0.00 0.00 54.79 53.81 1j1c n ASP 700 Cb 0.62 -4.67 0.22 0.00 2.34 0.00 0.00 41.12 39.64 1j1c n ASP 700 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1j1c n PHE 701 N -0.09 2.84 0.43 -0.67 3.01 -1.26 -4.50 117.46 117.21 1j1c n PHE 701 Ca 0.07 -1.64 0.11 0.00 1.01 0.00 0.00 57.45 57.00 1j1c n PHE 701 Cb 0.28 -0.86 0.46 0.00 -0.01 0.00 0.00 39.48 39.36 1j1c n PHE 701 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j1c n GLY 702 N -0.84 -1.26 0.07 1.37 0.00 -1.26 -2.69 105.19 100.58 1j1c n GLY 702 Ca 0.53 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.64 1j1c n GLY 702 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j1c n SER 703 N -2.13 0.65 -4.75 1.61 7.64 -1.26 -4.90 113.62 110.48 1j1c n SER 703 Ca 0.02 -0.82 -0.38 0.00 1.01 0.00 0.00 58.87 58.70 1j1c n SER 703 Cb 0.23 0.64 0.03 0.00 -1.01 0.00 0.00 64.21 64.11 1j1c n SER 703 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j1c s ALA 704 N -1.08 2.88 -0.19 -0.43 0.00 -1.02 -4.63 121.76 117.29 1j1c s ALA 704 Ca 0.03 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.02 1j1c s ALA 704 Cb 0.04 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1j1c s ALA 704 CO 0.14 -1.27 0.73 0.21 0.00 0.00 0.00 175.76 175.58 1j1c s LYS 705 N -2.83 0.89 -0.23 0.00 2.20 -0.49 -4.89 119.74 114.40 1j1c s LYS 705 Ca 0.69 0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 56.71 1j1c s LYS 705 Cb -0.39 0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1j1c s LYS 705 CO 0.47 -0.18 1.22 -1.14 -0.36 0.00 0.00 175.35 175.36 1j1c s GLN 706 N -0.22 4.12 -0.31 4.03 0.74 -1.26 -1.40 119.66 125.35 1j1c s GLN 706 Ca -0.04 1.43 -0.22 0.00 0.05 0.00 0.00 55.36 56.58 1j1c s GLN 706 Cb -0.03 -3.78 -0.00 0.00 1.10 0.00 0.00 33.01 30.30 1j1c s GLN 706 CO 0.04 -0.84 0.71 -0.51 -0.55 0.00 0.00 175.29 174.13 1j1c s LEU 707 N 3.74 4.13 -0.25 3.68 1.43 -0.62 -4.98 118.68 125.81 1j1c s LEU 707 Ca 0.53 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 54.06 1j1c s LEU 707 Cb -0.18 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1j1c s LEU 707 CO 0.16 -0.56 0.07 -0.69 0.23 0.00 0.00 176.35 175.56 1j1c s VAL 708 N 2.79 4.31 0.30 -1.59 1.01 -1.26 -4.94 120.40 121.01 1j1c s VAL 708 Ca 0.29 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1j1c s VAL 708 Cb -0.14 -3.03 -0.14 0.00 0.00 0.00 0.00 36.38 33.07 1j1c s VAL 708 CO 0.13 0.32 0.88 -1.14 0.00 0.00 0.00 175.10 175.29 1j1c n ARG 709 N 4.92 1.04 0.00 2.72 0.63 -1.26 -0.55 116.66 124.16 1j1c n ARG 709 Ca -0.16 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1j1c n ARG 709 Cb 0.51 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1j1c n ARG 709 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1c n GLY 710 N 1.41 2.58 3.77 5.14 0.00 -1.26 -5.01 105.19 111.82 1j1c n GLY 710 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1j1c n GLY 710 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1c s GLU 711 N -0.34 3.99 0.41 1.61 2.02 0.29 -5.08 118.70 121.60 1j1c s GLU 711 Ca 0.00 -0.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.61 1j1c s GLU 711 Cb 0.00 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 1j1c s GLU 711 CO 0.00 0.43 0.97 -1.25 0.02 0.00 0.00 175.26 175.43 1j1c s PRO 712 N -0.03 4.27 0.04 0.39 0.04 -1.26 -4.77 135.00 133.67 1j1c s PRO 712 Ca 0.11 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1j1c s PRO 712 Cb -0.12 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1j1c s PRO 712 CO 0.00 -0.01 -0.08 -0.80 0.04 0.00 0.00 177.00 176.16 1j1c s ASN 713 N -1.96 0.84 0.52 6.66 0.01 0.37 -5.04 114.94 116.34 1j1c s ASN 713 Ca 0.59 -0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 52.00 1j1c s ASN 713 Cb -0.13 0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.50 1j1c s ASN 713 CO 0.18 -0.18 1.31 0.68 -1.51 0.00 0.00 177.10 177.57 1j1c s VAL 714 N -1.28 2.35 -1.40 1.60 -7.23 -1.26 -4.30 120.40 108.87 1j1c s VAL 714 Ca -0.09 0.27 0.16 0.00 -1.81 0.00 0.00 61.98 60.50 1j1c s VAL 714 Cb -0.09 -3.14 0.43 0.00 0.56 0.00 0.00 36.38 34.14 1j1c s VAL 714 CO 0.00 -0.00 1.35 -1.54 -0.31 0.00 0.00 175.10 174.60 1j1c n SER 715 N -0.86 3.29 -1.77 4.85 3.41 -1.26 -4.41 113.62 116.87 1j1c n SER 715 Ca 0.09 -1.98 0.07 0.00 -0.26 0.00 0.00 58.87 56.79 1j1c n SER 715 Cb 0.46 -0.32 0.37 0.00 -0.26 0.00 0.00 64.21 64.46 1j1c n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j1c n TYR 716 N 0.98 1.90 -2.55 7.33 0.18 -1.26 -4.80 117.16 118.94 1j1c n TYR 716 Ca 0.17 -0.66 -0.22 0.00 1.88 0.00 0.00 57.90 59.06 1j1c n TYR 716 Cb 0.50 -0.47 0.05 0.00 -0.38 0.00 0.00 39.34 39.04 1j1c n TYR 716 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1j1c s ILE 717 N -2.58 2.57 0.04 -3.48 -5.25 -1.26 -5.00 121.20 106.24 1j1c s ILE 717 Ca 0.50 -0.59 0.00 0.00 -0.99 0.00 0.00 60.65 59.58 1j1c s ILE 717 Cb 0.38 -2.98 0.00 0.00 2.95 0.00 0.00 42.46 42.81 1j1c s ILE 717 CO 0.15 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.30 1j1c s SER 719 N -2.09 7.55 0.25 0.00 0.01 -1.26 -4.87 113.70 113.29 1j1c s SER 719 Ca 0.00 1.83 -0.30 0.00 1.31 0.00 0.00 55.95 58.79 1j1c s SER 719 Cb 0.00 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 1j1c s SER 719 CO 0.00 0.18 1.13 -2.11 0.41 0.00 0.00 173.24 172.85 1j1c n ARG 720 N 1.52 1.44 0.00 12.44 1.85 -1.26 -1.39 116.66 131.25 1j1c n ARG 720 Ca -0.03 0.51 0.00 0.00 -1.00 0.00 0.00 57.85 57.32 1j1c n ARG 720 Cb 0.48 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1j1c n ARG 720 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1j1c n TYR 721 N 0.89 0.00 0.16 2.89 4.02 -1.26 -4.80 117.16 119.07 1j1c n TYR 721 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.09 1j1c n TYR 721 Cb 0.30 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.79 1j1c n TYR 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1j1c n TYR 722 N 0.00 0.41 -2.51 -0.72 4.01 -0.49 -4.57 117.16 113.29 1j1c n TYR 722 Ca 0.00 -0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 1j1c n TYR 722 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1j1c n TYR 722 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1j1c s ARG 723 N -1.21 4.47 0.59 -0.72 0.52 -1.18 -4.00 118.95 117.42 1j1c s ARG 723 Ca 0.30 1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 56.97 1j1c s ARG 723 Cb 0.17 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1j1c s ARG 723 CO 0.24 -0.21 1.21 0.00 0.02 0.00 0.00 175.30 176.56 1j1c s ALA 724 N 1.13 2.56 0.45 2.13 0.00 -1.26 -4.84 121.76 121.93 1j1c s ALA 724 Ca 0.56 1.02 0.14 0.00 0.00 0.00 0.00 51.96 53.68 1j1c s ALA 724 Cb -0.26 -3.45 1.05 0.00 0.00 0.00 0.00 23.12 20.46 1j1c s ALA 724 CO 0.28 -1.16 2.01 -1.00 0.00 0.00 0.00 175.76 175.89 1j1c h PRO 725 N 0.93 0.35 0.00 0.00 0.13 -1.94 -0.54 132.00 130.93 1j1c h PRO 725 Ca -0.50 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1j1c h PRO 725 Cb 1.30 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1j1c h PRO 725 CO 0.55 0.23 -0.24 1.05 -0.23 0.00 0.00 178.00 179.36 1j1c h GLU 726 N 0.36 0.00 -0.04 0.86 9.09 -1.90 0.11 114.58 123.07 1j1c h GLU 726 Ca 0.22 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.45 1j1c h GLU 726 Cb 0.42 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.53 1j1c h GLU 726 CO -0.05 0.24 -0.71 -0.07 0.05 0.00 0.00 179.01 178.47 1j1c h LEU 727 N 0.00 0.69 -1.11 3.06 3.38 -1.41 0.16 115.31 120.08 1j1c h LEU 727 Ca -0.00 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 1j1c h LEU 727 Cb 0.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1j1c h LEU 727 CO 0.03 1.31 0.45 0.40 0.09 0.00 0.00 178.44 180.72 1j1c h ILE 728 N 0.14 1.22 0.00 1.22 2.04 -1.03 0.56 117.51 121.66 1j1c h ILE 728 Ca -0.08 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1j1c h ILE 728 Cb 1.38 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1j1c h ILE 728 CO 0.14 0.24 0.00 0.49 0.00 0.00 0.00 178.15 179.02 1j1c n PHE 729 N -4.37 0.00 -1.80 1.37 0.99 -0.01 -4.91 117.46 108.73 1j1c n PHE 729 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1j1c n PHE 729 Cb 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.55 1j1c n PHE 729 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j1c n GLY 730 N 0.74 0.34 3.77 1.37 0.00 0.19 -4.66 105.19 106.94 1j1c n GLY 730 Ca 0.17 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1j1c n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1c s ALA 731 N -2.20 3.07 -0.23 4.61 0.00 0.54 -4.89 121.76 122.65 1j1c s ALA 731 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1j1c s ALA 731 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1j1c s ALA 731 CO 0.00 -0.52 0.73 0.25 0.00 0.00 0.00 175.76 176.22 1j1c n THR 732 N -0.18 0.34 -1.43 0.00 -2.24 -1.26 -4.35 114.28 105.16 1j1c n THR 732 Ca 0.06 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 1j1c n THR 732 Cb 0.48 0.86 0.20 0.00 -2.10 0.00 0.00 70.33 69.77 1j1c n THR 732 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j1c n ASP 733 N -0.03 2.54 -4.78 3.42 5.75 -1.26 -0.48 116.55 121.71 1j1c n ASP 733 Ca 0.02 -3.73 -0.30 0.00 -0.01 0.00 0.00 54.79 50.77 1j1c n ASP 733 Cb 0.13 -0.63 0.11 0.00 -1.03 0.00 0.00 41.12 39.70 1j1c n ASP 733 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1j1c s TYR 734 N -3.22 2.66 0.12 2.11 -0.85 -1.26 -5.05 117.35 111.85 1j1c s TYR 734 Ca 0.44 1.16 0.00 0.00 -0.52 0.00 0.00 57.07 58.15 1j1c s TYR 734 Cb 0.40 -3.15 0.00 0.00 0.38 0.00 0.00 41.96 39.59 1j1c s TYR 734 CO 0.00 -2.00 0.03 0.25 -1.52 0.00 0.00 175.55 172.31 1j1c n THR 735 N -3.59 0.00 0.39 -3.49 -2.24 -1.26 -5.00 114.28 99.09 1j1c n THR 735 Ca 0.07 -0.52 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1j1c n THR 735 Cb 0.56 -0.08 0.37 0.00 -2.10 0.00 0.00 70.33 69.08 1j1c n THR 735 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j1c n SER 736 N -1.40 0.29 0.00 3.42 7.64 -1.26 -2.58 113.62 119.74 1j1c n SER 736 Ca -0.03 0.58 0.04 0.00 1.01 0.00 0.00 58.87 60.47 1j1c n SER 736 Cb 0.14 -0.64 0.21 0.00 -1.01 0.00 0.00 64.21 62.91 1j1c n SER 736 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j1c n SER 737 N -1.83 0.00 0.19 6.43 3.41 -1.26 -1.17 113.62 119.39 1j1c n SER 737 Ca 0.02 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 59.02 1j1c n SER 737 Cb 0.16 -0.39 0.35 0.00 -0.26 0.00 0.00 64.21 64.08 1j1c n SER 737 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1j1c h ILE 738 N 0.00 0.81 -0.03 -1.33 3.07 -1.89 -2.50 117.51 115.64 1j1c h ILE 738 Ca 0.00 -1.44 -0.14 0.00 1.55 0.00 0.00 64.86 64.82 1j1c h ILE 738 Cb 0.12 1.90 -0.02 0.00 -0.27 0.00 0.00 36.82 38.55 1j1c h ILE 738 CO 0.00 0.34 -0.63 0.44 -1.05 0.00 0.00 178.15 177.24 1j1c h ASP 739 N 0.00 0.12 -0.33 2.16 3.45 -1.41 -2.25 116.42 118.16 1j1c h ASP 739 Ca -0.00 -0.07 -0.16 0.00 0.43 0.00 0.00 57.03 57.22 1j1c h ASP 739 Cb 0.87 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1j1c h ASP 739 CO 0.04 0.72 -0.42 0.58 -1.57 0.00 0.00 179.24 178.60 1j1c h VAL 740 N 0.08 1.27 -0.30 -1.35 2.07 -1.54 -0.73 116.25 115.75 1j1c h VAL 740 Ca -0.01 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1j1c h VAL 740 Cb 1.13 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1j1c h VAL 740 CO 0.09 0.53 0.16 -0.25 0.02 0.00 0.00 177.57 178.12 1j1c h TRP 741 N 0.72 0.41 -0.77 1.57 2.91 -1.29 -1.20 115.95 118.30 1j1c h TRP 741 Ca 0.05 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.10 1j1c h TRP 741 Cb 1.01 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.48 1j1c h TRP 741 CO 0.06 0.34 0.47 0.77 -1.03 0.00 0.00 178.44 179.05 1j1c h SER 742 N 0.36 0.76 -0.16 2.65 0.02 -1.26 -1.05 113.55 114.87 1j1c h SER 742 Ca 0.10 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1j1c h SER 742 Cb 0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1j1c h SER 742 CO -0.02 0.51 -0.14 0.00 -1.14 0.00 0.00 176.83 176.05 1j1c h ALA 743 N 1.35 1.18 -0.64 3.77 0.00 -0.82 -2.17 119.26 121.93 1j1c h ALA 743 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1j1c h ALA 743 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1j1c h ALA 743 CO -0.14 0.52 0.24 0.78 0.00 0.00 0.00 179.25 180.65 1j1c h GLY 744 N 0.95 1.02 1.52 0.00 0.00 -0.01 -0.99 103.07 105.56 1j1c h GLY 744 Ca 0.09 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1j1c h GLY 744 CO 0.03 0.51 -0.16 0.00 0.00 0.00 0.00 176.54 176.93 1j1c h VAL 746 N 0.52 1.29 0.25 0.00 2.07 -0.83 -0.90 116.25 118.65 1j1c h VAL 746 Ca 0.09 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1j1c h VAL 746 Cb 0.57 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1j1c h VAL 746 CO 0.04 0.34 -0.17 0.25 0.02 0.00 0.00 177.57 178.05 1j1c h LEU 747 N 0.17 -0.44 -0.96 2.57 5.85 -1.01 0.28 115.31 121.78 1j1c h LEU 747 Ca 0.05 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1j1c h LEU 747 Cb 0.56 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1j1c h LEU 747 CO 0.03 -0.27 0.60 0.00 -0.34 0.00 0.00 178.44 178.45 1j1c h ALA 748 N 0.30 1.38 -0.56 1.25 0.00 -1.21 -1.38 119.26 119.05 1j1c h ALA 748 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1j1c h ALA 748 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1j1c h ALA 748 CO 0.01 0.29 -0.10 1.49 0.00 0.00 0.00 179.25 180.94 1j1c h GLU 749 N 1.03 1.05 -0.13 0.00 4.81 -0.74 0.79 114.58 121.39 1j1c h GLU 749 Ca 0.44 -0.38 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1j1c h GLU 749 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1j1c h GLU 749 CO -0.22 1.08 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.84 1j1c h LEU 750 N 0.94 0.22 0.11 1.64 3.38 -0.20 0.13 115.31 121.53 1j1c h LEU 750 Ca 0.15 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 1j1c h LEU 750 Cb 0.67 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.39 1j1c h LEU 750 CO 0.05 0.46 -1.24 -0.07 0.09 0.00 0.00 178.44 177.73 1j1c h LEU 751 N 0.20 0.89 0.07 1.67 3.38 -0.97 -3.37 115.31 117.19 1j1c h LEU 751 Ca 0.03 -0.82 -0.25 0.00 0.09 0.00 0.00 57.88 56.94 1j1c h LEU 751 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1j1c h LEU 751 CO 0.04 1.62 -1.17 -0.07 0.09 0.00 0.00 178.44 178.94 1j1c h LEU 752 N 0.29 0.23 0.00 1.67 3.38 -0.69 -3.46 115.31 116.73 1j1c h LEU 752 Ca -0.19 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1j1c h LEU 752 Cb 1.91 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1j1c h LEU 752 CO 0.24 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1j1c n GLY 753 N 1.47 0.62 3.38 0.83 0.00 0.45 -5.02 105.19 106.91 1j1c n GLY 753 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1j1c n GLY 753 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j1c s GLN 754 N -0.78 1.05 0.30 1.61 -2.07 -1.22 -4.84 119.66 113.71 1j1c s GLN 754 Ca 0.00 -0.32 -0.29 0.00 -1.82 0.00 0.00 55.36 52.93 1j1c s GLN 754 Cb 0.00 0.48 -0.13 0.00 -1.09 0.00 0.00 33.01 32.26 1j1c s GLN 754 CO 0.00 -0.39 1.21 -2.30 -1.32 0.00 0.00 175.29 172.49 1j1c n PRO 755 N 0.27 1.81 0.08 9.60 -0.02 -1.26 -4.38 135.00 141.10 1j1c n PRO 755 Ca -0.18 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1j1c n PRO 755 Cb 0.61 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1j1c n PRO 755 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1j1c h ILE 756 N 2.45 1.60 -2.22 4.25 2.10 -1.88 -3.39 117.51 120.41 1j1c h ILE 756 Ca -0.44 -3.14 -0.58 0.00 1.08 0.00 0.00 64.86 61.78 1j1c h ILE 756 Cb 1.30 2.81 -0.42 0.00 -1.09 0.00 0.00 36.82 39.42 1j1c h ILE 756 CO 0.64 0.91 -0.71 0.49 -1.08 0.00 0.00 178.15 178.40 1j1c n PHE 757 N -3.47 3.39 -1.39 2.19 0.99 -1.26 -4.88 117.46 113.02 1j1c n PHE 757 Ca -0.04 -4.00 -0.29 0.00 -0.00 0.00 0.00 57.45 53.13 1j1c n PHE 757 Cb 0.94 -0.49 0.15 0.00 -1.00 0.00 0.00 39.48 39.08 1j1c n PHE 757 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1j1c s PRO 758 N -3.05 0.92 0.00 -1.08 0.04 -1.26 -4.45 135.00 126.13 1j1c s PRO 758 Ca 0.45 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1j1c s PRO 758 Cb 0.25 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1j1c s PRO 758 CO -0.10 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1j1c n GLY 759 N -1.76 3.90 0.15 0.56 0.00 -1.26 -4.11 105.19 102.66 1j1c n GLY 759 Ca 0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1j1c n GLY 759 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j1c h ASP 760 N 0.00 0.00 -3.86 1.61 3.32 -1.97 -3.45 116.42 112.07 1j1c h ASP 760 Ca 0.00 -0.03 -0.35 0.00 0.02 0.00 0.00 57.03 56.67 1j1c h ASP 760 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1j1c h ASP 760 CO 0.00 0.01 -0.71 -0.94 -1.72 0.00 0.00 179.24 175.89 1j1c s SER 761 N -5.46 1.89 0.29 6.45 1.04 -1.26 -5.05 113.70 111.61 1j1c s SER 761 Ca 0.04 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1j1c s SER 761 Cb 0.09 -0.02 0.52 0.00 0.10 0.00 0.00 66.02 66.70 1j1c s SER 761 CO 0.72 -0.34 1.90 1.23 0.98 0.00 0.00 173.24 177.73 1j1c h GLY 762 N 2.71 1.39 1.23 7.32 0.00 -1.97 -1.81 103.07 111.95 1j1c h GLY 762 Ca -0.37 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 1j1c h GLY 762 CO 0.63 0.29 0.15 -0.39 0.00 0.00 0.00 176.54 177.22 1j1c h VAL 763 N 1.04 1.24 -0.59 4.60 -1.51 -1.97 0.12 116.25 119.19 1j1c h VAL 763 Ca 0.41 -0.89 -0.10 0.00 -1.23 0.00 0.00 66.70 64.89 1j1c h VAL 763 Cb 0.24 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1j1c h VAL 763 CO -0.17 0.34 -0.04 0.44 -1.23 0.00 0.00 177.57 176.91 1j1c h ASP 764 N 0.91 1.05 -0.33 4.19 3.45 -1.75 -0.96 116.42 122.98 1j1c h ASP 764 Ca 0.20 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.30 1j1c h ASP 764 Cb 0.33 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1j1c h ASP 764 CO 0.00 1.12 0.09 1.56 -1.57 0.00 0.00 179.24 180.43 1j1c h GLN 765 N 0.95 0.53 -0.43 3.56 4.20 -0.90 -2.17 115.11 120.85 1j1c h GLN 765 Ca 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1j1c h GLN 765 Cb 0.60 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1j1c h GLN 765 CO 0.04 0.59 0.20 -0.07 -0.67 0.00 0.00 178.83 178.92 1j1c h LEU 766 N 0.39 0.53 -0.22 1.46 3.38 -0.77 -1.40 115.31 118.68 1j1c h LEU 766 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j1c h LEU 766 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1j1c h LEU 766 CO 0.00 0.46 0.09 0.58 0.09 0.00 0.00 178.44 179.66 1j1c h VAL 767 N 0.60 1.16 -0.73 1.22 2.07 -0.77 0.43 116.25 120.22 1j1c h VAL 767 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1j1c h VAL 767 Cb 0.07 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1j1c h VAL 767 CO -0.02 0.16 0.41 -0.33 0.02 0.00 0.00 177.57 177.81 1j1c h GLU 768 N 0.21 1.01 -0.17 1.57 4.39 -0.88 0.61 114.58 121.32 1j1c h GLU 768 Ca 0.07 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1j1c h GLU 768 Cb 0.16 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1j1c h GLU 768 CO -0.01 0.73 -0.05 0.82 -1.16 0.00 0.00 179.01 179.34 1j1c h ILE 769 N 1.02 1.29 -0.69 3.13 2.04 -1.00 -3.06 117.51 120.24 1j1c h ILE 769 Ca 0.26 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1j1c h ILE 769 Cb 0.01 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1j1c h ILE 769 CO -0.04 0.31 0.28 0.40 0.00 0.00 0.00 178.15 179.10 1j1c h ILE 770 N 0.03 1.24 -1.00 -0.67 2.04 -0.61 0.45 117.51 118.99 1j1c h ILE 770 Ca 0.04 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.30 1j1c h ILE 770 Cb 0.50 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 1j1c h ILE 770 CO 0.02 0.30 0.63 0.11 0.00 0.00 0.00 178.15 179.20 1j1c h LYS 771 N 1.00 0.94 0.06 2.37 1.57 -0.80 0.94 116.57 122.65 1j1c h LYS 771 Ca 0.23 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.67 1j1c h LYS 771 Cb 0.18 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1j1c h LYS 771 CO -0.02 0.62 -1.55 0.28 -0.57 0.00 0.00 179.45 178.21 1j1c h VAL 772 N 0.97 0.82 0.00 0.50 2.07 -1.30 -3.29 116.25 116.02 1j1c h VAL 772 Ca 0.50 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1j1c h VAL 772 Cb 0.52 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1j1c h VAL 772 CO -0.28 0.58 -0.76 -0.07 0.02 0.00 0.00 177.57 177.07 1j1c h LEU 773 N -0.51 0.00 0.00 2.57 3.38 -0.08 -2.27 115.31 118.39 1j1c h LEU 773 Ca -0.37 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1j1c h LEU 773 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1j1c h LEU 773 CO -0.07 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1j1c n GLY 774 N 1.27 -0.10 3.73 0.83 0.00 0.32 -4.57 105.19 106.67 1j1c n GLY 774 Ca 0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1j1c n GLY 774 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j1c s THR 775 N -2.31 2.78 0.16 2.61 2.01 -0.69 -4.52 115.64 115.68 1j1c s THR 775 Ca 0.00 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 1j1c s THR 775 Cb 0.00 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 1j1c s THR 775 CO 0.00 0.07 1.26 -2.16 -0.69 0.00 0.00 174.62 173.09 1j1c s PRO 776 N 0.48 4.43 0.82 4.92 0.04 -1.26 -5.00 135.00 139.43 1j1c s PRO 776 Ca 0.64 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 1j1c s PRO 776 Cb -0.41 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 30.97 1j1c s PRO 776 CO 0.36 -0.21 1.14 0.95 0.04 0.00 0.00 177.00 179.28 1j1c s THR 777 N 0.33 2.54 0.49 1.26 -4.23 -1.26 -4.76 115.64 110.00 1j1c s THR 777 Ca 0.56 0.20 0.20 0.00 -1.18 0.00 0.00 61.69 61.47 1j1c s THR 777 Cb -0.34 -2.50 0.36 0.00 1.34 0.00 0.00 72.50 71.36 1j1c s THR 777 CO 0.35 -0.21 1.99 -0.09 -0.54 0.00 0.00 174.62 176.13 1j1c h ARG 778 N -1.19 0.17 -0.10 3.99 2.43 -1.99 -1.03 114.38 116.65 1j1c h ARG 778 Ca -0.44 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.52 1j1c h ARG 778 Cb 1.26 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1j1c h ARG 778 CO 0.47 0.11 -0.70 1.49 -1.51 0.00 0.00 179.97 179.83 1j1c h GLU 779 N 0.18 0.65 -0.65 0.20 4.81 -1.99 -2.45 114.58 115.33 1j1c h GLU 779 Ca 0.25 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1j1c h GLU 779 Cb 0.76 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1j1c h GLU 779 CO -0.04 1.18 0.27 1.96 -0.73 0.00 0.00 179.01 181.66 1j1c h GLN 780 N 0.32 0.94 -0.72 1.92 4.20 -1.59 -1.72 115.11 118.45 1j1c h GLN 780 Ca -0.06 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1j1c h GLN 780 Cb 1.35 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1j1c h GLN 780 CO 0.14 0.75 0.33 0.82 -0.67 0.00 0.00 178.83 180.21 1j1c h ILE 781 N 0.93 1.24 -0.09 2.54 2.04 -1.19 -1.79 117.51 121.19 1j1c h ILE 781 Ca 0.22 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1j1c h ILE 781 Cb 0.15 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1j1c h ILE 781 CO -0.02 0.29 -0.10 -0.09 0.00 0.00 0.00 178.15 178.23 1j1c h ARG 782 N 1.02 0.13 -0.41 2.37 2.43 -0.86 -2.13 114.38 116.93 1j1c h ARG 782 Ca 0.25 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1j1c h ARG 782 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1j1c h ARG 782 CO -0.03 0.24 -0.35 0.93 -1.51 0.00 0.00 179.97 179.25 1j1c h GLU 783 N 0.13 0.95 0.18 0.20 4.39 -0.49 -3.27 114.58 116.67 1j1c h GLU 783 Ca 0.03 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1j1c h GLU 783 Cb 0.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1j1c h GLU 783 CO 0.01 1.14 -0.09 0.52 -1.16 0.00 0.00 179.01 179.43 1j1c h MET 784 N 0.78 -0.24 -2.02 2.33 2.86 -1.18 -3.45 114.93 114.02 1j1c h MET 784 Ca 0.07 0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 1j1c h MET 784 Cb 0.94 0.05 -0.29 0.00 0.06 0.00 0.00 31.60 32.36 1j1c h MET 784 CO 0.09 0.03 -0.45 1.21 1.06 0.00 0.00 176.91 178.85 1j1c s ASN 785 N -5.37 0.10 -1.42 1.22 3.04 -0.83 -4.74 114.94 106.95 1j1c s ASN 785 Ca -0.08 0.41 -0.07 0.00 0.04 0.00 0.00 52.86 53.16 1j1c s ASN 785 Cb 0.00 1.18 0.05 0.00 -1.54 0.00 0.00 41.25 40.94 1j1c s ASN 785 CO 0.28 -0.28 2.59 -0.81 -3.04 0.00 0.00 177.10 175.84 1j1c n PRO 786 N 5.37 4.28 0.00 0.43 -0.04 -1.23 -4.08 135.00 139.73 1j1c n PRO 786 Ca -0.05 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 1j1c n PRO 786 Cb 0.50 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1j1c n PRO 786 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j1c n ASN 787 N 2.34 0.00 -4.78 3.54 3.02 -1.26 -5.12 115.26 113.00 1j1c n ASN 787 Ca 0.68 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.82 1j1c n ASN 787 Cb 0.24 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 1j1c n ASN 787 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1j1c s TYR 788 N -1.19 2.77 0.00 3.10 1.51 -1.26 -5.01 117.35 117.28 1j1c s TYR 788 Ca 0.00 1.27 0.00 0.00 -1.01 0.00 0.00 57.07 57.33 1j1c s TYR 788 Cb 0.00 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 37.96 1j1c s TYR 788 CO 0.00 -2.54 0.35 2.41 -1.11 0.00 0.00 175.55 174.67 1j1c n THR 789 N 0.59 0.00 -1.34 -0.71 -1.04 -1.26 -4.87 114.28 105.65 1j1c n THR 789 Ca 0.01 0.71 -0.53 0.00 -2.04 0.00 0.00 64.05 62.19 1j1c n THR 789 Cb 0.40 -1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 67.42 1j1c n THR 789 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1j1c n GLU 790 N -1.11 0.00 0.00 -2.82 2.13 -1.26 -4.76 120.64 112.82 1j1c n GLU 790 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1j1c n GLU 790 Cb 0.00 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1j1c n GLU 790 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1j1c n PHE 791 N 3.41 0.00 -2.60 4.31 0.99 -1.26 -4.96 117.46 117.35 1j1c n PHE 791 Ca 0.26 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.45 57.28 1j1c n PHE 791 Cb -0.05 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.40 1j1c n PHE 791 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j1c s LYS 792 N -0.03 3.43 -0.16 -1.08 2.20 -1.26 -4.94 119.74 117.90 1j1c s LYS 792 Ca 0.00 -0.85 -0.06 0.00 -0.36 0.00 0.00 55.97 54.69 1j1c s LYS 792 Cb 0.00 -4.86 0.07 0.00 -1.51 0.00 0.00 37.83 31.53 1j1c s LYS 792 CO 0.00 -2.14 0.35 -0.06 -0.36 0.00 0.00 175.35 173.14 1j1c s PHE 793 N 5.02 -0.58 -0.02 4.03 2.99 -1.26 -5.13 117.98 123.03 1j1c s PHE 793 Ca 0.40 1.21 -0.26 0.00 0.00 0.00 0.00 56.93 58.29 1j1c s PHE 793 Cb -0.04 0.16 -0.13 0.00 0.00 0.00 0.00 43.02 43.01 1j1c s PHE 793 CO -0.00 -0.38 0.70 -2.30 -0.00 0.00 0.00 175.22 173.23 1j1c n PRO 794 N 5.01 0.00 -2.68 0.24 -0.02 -1.26 -4.79 135.00 131.50 1j1c n PRO 794 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.93 1j1c n PRO 794 Cb 0.51 -0.94 -0.01 0.00 -0.02 0.00 0.00 33.50 33.04 1j1c n PRO 794 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1j1c s GLN 795 N 0.15 3.86 0.16 -0.52 -1.52 -1.26 -4.78 119.66 115.74 1j1c s GLN 795 Ca 0.58 -1.85 -0.12 0.00 -1.95 0.00 0.00 55.36 52.02 1j1c s GLN 795 Cb -0.81 -5.33 -0.07 0.00 -0.22 0.00 0.00 33.01 26.58 1j1c s GLN 795 CO 0.37 -2.10 0.51 0.42 -0.25 0.00 0.00 175.29 174.25 1j1c s ILE 796 N 3.75 4.94 0.54 1.08 1.09 -1.26 -4.95 121.20 126.38 1j1c s ILE 796 Ca 0.47 0.62 -0.10 0.00 -1.10 0.00 0.00 60.65 60.54 1j1c s ILE 796 Cb 0.01 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 1j1c s ILE 796 CO -0.00 0.15 0.93 -1.59 -0.10 0.00 0.00 174.94 174.33 1j1c s LYS 797 N -2.22 3.65 0.15 2.79 0.00 -1.26 -1.70 119.74 121.15 1j1c s LYS 797 Ca 0.40 0.59 -0.32 0.00 0.00 0.00 0.00 55.97 56.64 1j1c s LYS 797 Cb -0.14 -2.21 -0.12 0.00 0.00 0.00 0.00 37.83 35.37 1j1c s LYS 797 CO 0.20 -0.36 1.74 0.00 0.00 0.00 0.00 175.35 176.92 1j1c n ALA 798 N -2.28 2.13 -2.63 0.59 0.00 -1.26 -4.34 120.51 112.72 1j1c n ALA 798 Ca 0.04 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1j1c n ALA 798 Cb 0.54 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 1j1c n ALA 798 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j1c s HIS 799 N 1.82 3.24 -0.35 0.00 2.46 -0.86 -4.92 115.29 116.67 1j1c s HIS 799 Ca 0.79 1.05 -0.37 0.00 0.47 0.00 0.00 55.06 57.00 1j1c s HIS 799 Cb -0.55 -3.26 -0.13 0.00 -0.13 0.00 0.00 32.58 28.51 1j1c s HIS 799 CO 0.37 -0.54 2.13 -0.35 -2.47 0.00 0.00 174.74 173.87 1j1c n PRO 800 N 6.28 0.98 -0.19 2.88 -0.04 -1.26 -4.76 135.00 138.89 1j1c n PRO 800 Ca 0.07 0.28 0.26 0.00 -0.04 0.00 0.00 63.50 64.06 1j1c n PRO 800 Cb 0.48 -2.31 0.66 0.00 -0.04 0.00 0.00 33.50 32.29 1j1c n PRO 800 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j1c h TRP 801 N 11.35 0.15 0.00 0.54 4.06 -1.93 0.36 115.95 130.48 1j1c h TRP 801 Ca -0.28 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.62 1j1c h TRP 801 Cb 1.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.44 1j1c h TRP 801 CO 0.94 0.04 -0.26 1.15 -3.56 0.00 0.00 178.44 176.74 1j1c h THR 802 N 0.11 0.99 0.00 1.49 2.02 -1.94 -0.94 112.91 114.64 1j1c h THR 802 Ca 0.43 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1j1c h THR 802 Cb 1.52 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1j1c h THR 802 CO -0.06 0.26 -0.06 1.17 0.37 0.00 0.00 175.52 177.21 1j1c n LYS 803 N -3.94 0.05 0.06 6.66 4.81 0.12 -3.70 118.16 122.23 1j1c n LYS 803 Ca -0.02 0.04 -0.21 0.00 -0.87 0.00 0.00 58.31 57.25 1j1c n LYS 803 Cb 0.34 -1.56 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 1j1c n LYS 803 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1j1c h VAL 804 N 0.00 1.30 -2.03 3.15 2.07 -0.97 -3.47 116.25 116.30 1j1c h VAL 804 Ca 0.00 -2.32 -0.45 0.00 0.82 0.00 0.00 66.70 64.75 1j1c h VAL 804 Cb 0.55 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1j1c h VAL 804 CO 0.00 0.71 -0.36 -0.36 0.02 0.00 0.00 177.57 177.58 1j1c s PHE 805 N -3.16 3.26 0.74 1.57 0.40 -1.21 -5.04 117.98 114.54 1j1c s PHE 805 Ca -0.10 -0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 55.98 1j1c s PHE 805 Cb 0.06 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.79 1j1c s PHE 805 CO 0.92 0.15 1.20 -0.98 0.70 0.00 0.00 175.22 177.21 1j1c s ARG 806 N -4.12 2.07 0.43 0.44 1.70 -1.26 -4.93 118.95 113.28 1j1c s ARG 806 Ca 0.41 1.75 -0.26 0.00 -0.47 0.00 0.00 55.73 57.16 1j1c s ARG 806 Cb -0.09 -1.83 -0.08 0.00 -0.57 0.00 0.00 34.95 32.38 1j1c s ARG 806 CO 0.31 -1.89 1.37 -1.25 -1.08 0.00 0.00 175.30 172.76 1j1c s PRO 807 N -3.96 3.82 0.00 3.89 0.04 -1.26 -2.53 135.00 134.99 1j1c s PRO 807 Ca 0.74 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1j1c s PRO 807 Cb -0.29 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1j1c s PRO 807 CO 0.46 -0.67 0.00 0.54 0.04 0.00 0.00 177.00 177.37 1j1c n ARG 808 N -0.04 0.00 -2.04 4.56 1.74 -1.26 -5.03 116.66 114.59 1j1c n ARG 808 Ca 0.04 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1j1c n ARG 808 Cb 0.43 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1j1c n ARG 808 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j1c s THR 809 N -2.86 2.88 -0.00 0.55 2.01 -1.05 -4.88 115.64 112.28 1j1c s THR 809 Ca 0.00 0.66 -0.34 0.00 0.31 0.00 0.00 61.69 62.31 1j1c s THR 809 Cb 0.00 -3.42 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 1j1c s THR 809 CO 0.00 0.06 1.74 -2.65 -0.69 0.00 0.00 174.62 173.09 1j1c n PRO 810 N 3.60 2.07 -0.21 4.92 -0.02 -1.26 -4.85 135.00 139.25 1j1c n PRO 810 Ca 0.11 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.53 1j1c n PRO 810 Cb 0.40 -2.55 0.53 0.00 -0.02 0.00 0.00 33.50 31.86 1j1c n PRO 810 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j1c h PRO 811 N 7.73 0.36 -0.27 0.52 0.11 -2.00 0.62 132.00 139.08 1j1c h PRO 811 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1j1c h PRO 811 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1j1c h PRO 811 CO 0.92 0.24 -0.14 0.93 -0.21 0.00 0.00 178.00 179.74 1j1c h GLU 812 N 0.37 0.45 -0.52 1.05 3.07 -1.96 -0.61 114.58 116.43 1j1c h GLU 812 Ca 0.43 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 1j1c h GLU 812 Cb 1.09 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 1j1c h GLU 812 CO -0.14 0.59 -0.01 0.00 -1.40 0.00 0.00 179.01 178.04 1j1c h ALA 813 N 1.44 0.71 -0.33 3.43 0.00 -1.24 -0.95 119.26 122.31 1j1c h ALA 813 Ca 0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1j1c h ALA 813 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j1c h ALA 813 CO 0.03 0.54 -0.30 0.82 0.00 0.00 0.00 179.25 180.34 1j1c h ILE 814 N 0.81 1.28 -0.44 0.00 2.04 -1.20 -1.75 117.51 118.26 1j1c h ILE 814 Ca 0.15 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 1j1c h ILE 814 Cb 0.55 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1j1c h ILE 814 CO 0.03 0.47 -0.03 0.00 0.00 0.00 0.00 178.15 178.62 1j1c h ALA 815 N 1.07 0.59 -0.20 1.87 0.00 -0.92 -2.13 119.26 119.54 1j1c h ALA 815 Ca 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1j1c h ALA 815 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1j1c h ALA 815 CO 0.07 0.41 0.10 1.25 0.00 0.00 0.00 179.25 181.08 1j1c h LEU 816 N 0.63 0.26 -0.20 0.00 5.85 -1.03 -2.54 115.31 118.27 1j1c h LEU 816 Ca 0.12 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1j1c h LEU 816 Cb 0.54 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1j1c h LEU 816 CO 0.03 0.30 -0.18 0.00 -0.34 0.00 0.00 178.44 178.26 1j1c h SER 818 N -0.19 0.00 0.46 0.00 4.64 -1.21 0.62 113.55 117.88 1j1c h SER 818 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1j1c h SER 818 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1j1c h SER 818 CO -0.32 0.00 -0.60 0.54 -0.87 0.00 0.00 176.83 175.58 1j1c n ARG 819 N -3.61 0.04 -0.11 4.77 5.12 -0.55 -4.11 116.66 118.21 1j1c n ARG 819 Ca -0.02 0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.69 1j1c n ARG 819 Cb 0.15 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 29.81 1j1c n ARG 819 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1j1c n LEU 820 N -1.57 2.61 -4.06 0.55 4.77 -0.31 -2.25 117.00 116.74 1j1c n LEU 820 Ca 0.05 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1j1c n LEU 820 Cb 0.35 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1j1c n LEU 820 CO 0.36 0.80 1.72 0.18 -1.33 0.00 0.00 177.39 179.12 1j1c n LEU 821 N -3.60 6.20 -4.45 2.23 4.77 0.06 -4.39 117.00 117.82 1j1c n LEU 821 Ca -0.45 -4.63 -0.32 0.00 -0.03 0.00 0.00 56.01 50.58 1j1c n LEU 821 Cb 0.96 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.40 1j1c n LEU 821 CO 0.23 1.21 -0.48 -1.61 -1.33 0.00 0.00 177.39 175.41 1j1c s GLU 822 N 0.50 2.36 0.08 3.23 0.41 -1.26 -4.84 118.70 119.18 1j1c s GLU 822 Ca 0.40 -0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 53.90 1j1c s GLU 822 Cb 0.05 -2.29 -0.17 0.00 -1.78 0.00 0.00 34.13 29.95 1j1c s GLU 822 CO 0.01 0.60 1.69 1.88 -0.49 0.00 0.00 175.26 178.94 1j1c h TYR 823 N 5.21 -0.37 -2.79 1.61 0.05 -1.96 -3.40 116.97 115.32 1j1c h TYR 823 Ca -0.46 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 57.74 1j1c h TYR 823 Cb 1.15 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.98 1j1c h TYR 823 CO 0.49 -0.23 1.23 0.99 -1.05 0.00 0.00 178.16 179.58 1j1c s THR 824 N -6.12 3.57 0.20 -2.88 2.01 -1.26 -4.70 115.64 106.46 1j1c s THR 824 Ca -0.15 0.59 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 1j1c s THR 824 Cb 0.05 -3.75 0.18 0.00 0.01 0.00 0.00 72.50 68.99 1j1c s THR 824 CO 0.64 -0.46 1.61 -0.65 -0.69 0.00 0.00 174.62 175.07 1j1c h PRO 825 N 12.27 -0.08 0.00 4.92 0.11 -1.86 0.19 132.00 147.55 1j1c h PRO 825 Ca -0.33 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1j1c h PRO 825 Cb 1.16 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1j1c h PRO 825 CO 1.04 -0.05 0.00 0.25 -0.21 0.00 0.00 178.00 179.03 1j1c n THR 826 N -5.43 0.97 0.26 -1.15 -2.24 -1.26 -2.34 114.28 103.09 1j1c n THR 826 Ca 0.06 0.44 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 1j1c n THR 826 Cb 0.34 -1.39 0.17 0.00 -2.10 0.00 0.00 70.33 67.34 1j1c n THR 826 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j1c h ALA 827 N 2.16 0.91 -2.61 6.98 0.00 -1.34 -3.46 119.26 121.90 1j1c h ALA 827 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1j1c h ALA 827 Cb 0.20 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.04 1j1c h ALA 827 CO 0.00 0.00 0.46 1.03 0.00 0.00 0.00 179.25 180.74 1j1c s ARG 828 N -3.22 3.84 0.75 0.00 0.52 -0.99 -4.97 118.95 114.88 1j1c s ARG 828 Ca 0.06 1.67 -0.15 0.00 -0.52 0.00 0.00 55.73 56.79 1j1c s ARG 828 Cb 0.07 -2.40 0.05 0.00 0.52 0.00 0.00 34.95 33.19 1j1c s ARG 828 CO 0.68 -0.46 1.20 -0.51 0.02 0.00 0.00 175.30 176.24 1j1c s LEU 829 N -3.01 3.28 0.54 2.53 1.43 -0.96 -5.02 118.68 117.48 1j1c s LEU 829 Ca 0.63 2.35 -0.05 0.00 -1.03 0.00 0.00 54.13 56.02 1j1c s LEU 829 Cb -0.26 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.37 1j1c s LEU 829 CO 0.31 -2.33 0.84 0.42 0.23 0.00 0.00 176.35 175.82 1j1c s THR 830 N -2.03 4.16 0.28 5.49 -4.23 -1.26 -4.86 115.64 113.19 1j1c s THR 830 Ca 0.74 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1j1c s THR 830 Cb -0.29 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.22 1j1c s THR 830 CO 0.46 -0.60 1.82 -0.65 -0.54 0.00 0.00 174.62 175.11 1j1c h PRO 831 N 0.02 0.89 -0.51 3.99 0.11 -1.92 0.43 132.00 135.00 1j1c h PRO 831 Ca -0.46 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1j1c h PRO 831 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1j1c h PRO 831 CO 0.61 0.59 -0.10 1.25 -0.21 0.00 0.00 178.00 180.14 1j1c h LEU 832 N 0.92 0.95 -0.76 2.35 5.85 -1.94 -1.20 115.31 121.47 1j1c h LEU 832 Ca 0.50 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1j1c h LEU 832 Cb 0.55 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1j1c h LEU 832 CO -0.29 1.06 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.30 1j1c h GLU 833 N 0.85 0.67 -0.46 1.25 5.08 -1.73 -2.47 114.58 117.77 1j1c h GLU 833 Ca 0.14 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1j1c h GLU 833 Cb 0.64 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1j1c h GLU 833 CO 0.04 0.85 0.21 0.00 -1.00 0.00 0.00 179.01 179.12 1j1c h ALA 834 N 1.15 0.60 -0.70 3.43 0.00 -0.58 -2.36 119.26 120.79 1j1c h ALA 834 Ca 0.08 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1j1c h ALA 834 Cb 0.72 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1j1c h ALA 834 CO 0.06 0.17 0.46 0.00 0.00 0.00 0.00 179.25 179.93 1j1c n ALA 836 N -2.47 2.69 -1.52 0.00 0.00 -0.93 -4.80 120.51 113.48 1j1c n ALA 836 Ca 0.11 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 1j1c n ALA 836 Cb 0.29 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1j1c n ALA 836 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j1c s HIS 837 N -2.20 2.09 0.39 0.00 2.46 -0.30 -4.90 115.29 112.82 1j1c s HIS 837 Ca 0.37 1.55 0.37 0.00 0.47 0.00 0.00 55.06 57.83 1j1c s HIS 837 Cb 0.21 -3.55 1.83 0.00 -0.13 0.00 0.00 32.58 30.93 1j1c s HIS 837 CO 0.40 -2.68 2.16 0.66 -2.47 0.00 0.00 174.74 172.81 1j1c h SER 838 N 0.11 0.00 -0.07 9.88 4.64 -1.91 -2.04 113.55 124.15 1j1c h SER 838 Ca -0.49 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1j1c h SER 838 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1j1c h SER 838 CO 0.51 0.02 0.06 0.15 -0.87 0.00 0.00 176.83 176.70 1j1c h PHE 839 N 0.00 0.00 -0.58 4.77 3.57 -1.91 -1.16 116.94 121.63 1j1c h PHE 839 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1j1c h PHE 839 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1j1c h PHE 839 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1j1c n PHE 840 N -4.34 0.77 -0.34 0.41 3.72 -0.77 -4.46 117.46 112.45 1j1c n PHE 840 Ca -0.01 -0.39 0.07 0.00 -0.05 0.00 0.00 57.45 57.07 1j1c n PHE 840 Cb 0.16 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 38.95 1j1c n PHE 840 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1j1c h ASP 841 N 3.45 0.91 -0.54 4.37 3.32 -1.31 -1.41 116.42 125.20 1j1c h ASP 841 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.15 1j1c h ASP 841 Cb 0.79 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1j1c h ASP 841 CO 0.00 0.50 0.36 -0.08 -1.72 0.00 0.00 179.24 178.30 1j1c h GLU 842 N 0.98 0.46 0.00 3.56 4.81 -1.81 -0.28 114.58 122.31 1j1c h GLU 842 Ca 0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1j1c h GLU 842 Cb 0.45 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1j1c h GLU 842 CO -0.23 0.31 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.20 1j1c h LEU 843 N 0.48 0.00 -0.69 1.64 3.38 -1.58 -2.33 115.31 116.20 1j1c h LEU 843 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1j1c h LEU 843 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j1c h LEU 843 CO -0.06 0.08 -0.17 0.54 0.09 0.00 0.00 178.44 178.91 1j1c n ARG 844 N -3.31 1.15 -2.24 1.13 1.74 -0.13 -4.88 116.66 110.13 1j1c n ARG 844 Ca -0.01 -0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 55.96 1j1c n ARG 844 Cb 0.27 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1j1c n ARG 844 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1j1c s ASP 845 N -2.32 6.90 0.59 0.55 -1.08 -0.88 -4.88 116.67 115.54 1j1c s ASP 845 Ca 0.29 2.26 0.29 0.00 -0.52 0.00 0.00 52.55 54.87 1j1c s ASP 845 Cb 0.20 -2.59 1.75 0.00 -1.46 0.00 0.00 42.92 40.83 1j1c s ASP 845 CO 0.46 -0.59 2.18 1.55 0.52 0.00 0.00 175.17 179.29 1j1c h PRO 846 N 6.61 0.00 -0.36 4.34 0.13 -1.90 -2.37 132.00 138.46 1j1c h PRO 846 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1j1c h PRO 846 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j1c h PRO 846 CO 0.84 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.70 1j1c n ASN 847 N -3.81 3.43 -4.76 1.44 5.03 -1.26 -4.98 115.26 110.36 1j1c n ASN 847 Ca -0.01 -1.99 -0.41 0.00 0.87 0.00 0.00 54.58 53.04 1j1c n ASN 847 Cb 0.19 -0.23 -0.01 0.00 -1.02 0.00 0.00 39.78 38.71 1j1c n ASN 847 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1j1c s VAL 848 N -1.50 2.02 0.08 2.41 0.11 -0.89 -5.01 120.40 117.61 1j1c s VAL 848 Ca 0.38 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.43 1j1c s VAL 848 Cb 0.22 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 1j1c s VAL 848 CO 0.31 0.00 0.01 -0.54 -3.33 0.00 0.00 175.10 171.55 1j1c s LYS 849 N -0.84 0.73 0.59 1.54 -0.14 -1.26 -4.58 119.74 115.77 1j1c s LYS 849 Ca 0.61 -1.29 -0.17 0.00 -1.36 0.00 0.00 55.97 53.76 1j1c s LYS 849 Cb -0.48 0.22 -0.04 0.00 -1.68 0.00 0.00 37.83 35.86 1j1c s LYS 849 CO 0.51 -0.17 1.08 -0.51 -0.76 0.00 0.00 175.35 175.50 1j1c s LEU 850 N -2.96 3.56 0.39 3.17 1.43 0.17 -4.91 118.68 119.53 1j1c s LEU 850 Ca 0.13 1.93 0.13 0.00 -1.03 0.00 0.00 54.13 55.29 1j1c s LEU 850 Cb 0.08 -4.55 0.96 0.00 0.03 0.00 0.00 46.19 42.71 1j1c s LEU 850 CO -0.06 -1.23 1.89 -0.65 0.23 0.00 0.00 176.35 176.53 1j1c h PRO 851 N 0.61 0.52 -0.87 1.29 0.11 -2.00 0.13 132.00 131.79 1j1c h PRO 851 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j1c h PRO 851 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j1c h PRO 851 CO 0.57 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 178.97 1j1c n ASN 852 N -4.52 1.10 0.00 -2.05 2.04 -1.26 -4.78 115.26 105.78 1j1c n ASN 852 Ca 0.17 -1.47 0.00 0.00 -0.44 0.00 0.00 54.58 52.83 1j1c n ASN 852 Cb 0.53 -0.37 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1j1c n ASN 852 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j1c n GLY 853 N 0.25 1.74 3.74 4.83 0.00 0.45 -4.97 105.19 111.24 1j1c n GLY 853 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1j1c n GLY 853 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j1c s ARG 854 N 0.00 1.60 0.51 1.61 3.52 -1.25 -4.65 118.95 120.29 1j1c s ARG 854 Ca 0.00 0.84 -0.19 0.00 -0.13 0.00 0.00 55.73 56.25 1j1c s ARG 854 Cb 0.00 -1.85 -0.07 0.00 -1.56 0.00 0.00 34.95 31.47 1j1c s ARG 854 CO 0.00 -2.01 1.04 -0.51 -0.81 0.00 0.00 175.30 173.00 1j1c s ASP 855 N -3.51 6.25 0.81 -2.12 -0.00 -1.26 0.44 116.67 117.28 1j1c s ASP 855 Ca 0.62 1.89 -0.11 0.00 -0.00 0.00 0.00 52.55 54.95 1j1c s ASP 855 Cb -0.17 -2.55 0.08 0.00 -0.00 0.00 0.00 42.92 40.27 1j1c s ASP 855 CO 0.56 -0.84 1.09 0.42 -0.00 0.00 0.00 175.17 176.40 1j1c s THR 856 N -2.11 3.12 1.10 -1.27 -4.23 -1.26 -4.62 115.64 106.37 1j1c s THR 856 Ca 0.66 0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 61.35 1j1c s THR 856 Cb -0.16 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.94 1j1c s THR 856 CO 0.24 -0.47 1.22 -2.84 -0.54 0.00 0.00 174.62 172.22 1j1c s PRO 857 N -5.04 -0.45 0.10 3.99 0.02 -1.26 -4.94 135.00 127.42 1j1c s PRO 857 Ca 0.61 -0.27 -0.31 0.00 0.02 0.00 0.00 61.00 61.05 1j1c s PRO 857 Cb -0.16 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1j1c s PRO 857 CO 0.55 -3.17 1.78 0.00 -0.33 0.00 0.00 177.00 175.83 1j1c s ALA 858 N -3.44 3.73 0.00 -1.55 0.00 -1.26 -4.87 121.76 114.38 1j1c s ALA 858 Ca 0.73 1.36 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1j1c s ALA 858 Cb -0.06 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1j1c s ALA 858 CO 0.55 -1.20 0.00 1.28 0.00 0.00 0.00 175.76 176.39 1j1c n LEU 859 N 5.73 0.00 0.00 0.00 4.77 -1.26 -4.85 117.00 121.39 1j1c n LEU 859 Ca 0.17 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1j1c n LEU 859 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1j1c n LEU 859 CO 0.65 0.00 0.45 0.49 -1.33 0.00 0.00 177.39 177.65 1j1c n PHE 860 N -0.86 0.00 -1.24 -1.77 3.01 -1.26 -4.82 117.46 110.52 1j1c n PHE 860 Ca 0.00 -0.41 -0.29 0.00 1.01 0.00 0.00 57.45 57.76 1j1c n PHE 860 Cb 0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.35 1j1c n PHE 860 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1j1c n ASN 861 N -0.41 7.37 -4.77 4.37 2.04 -1.26 -4.89 115.26 117.71 1j1c n ASN 861 Ca 0.00 -2.59 -0.38 0.00 -0.44 0.00 0.00 54.58 51.16 1j1c n ASN 861 Cb 0.22 -1.49 -0.01 0.00 -2.53 0.00 0.00 39.78 35.98 1j1c n ASN 861 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1j1c s PHE 862 N 1.41 2.90 0.51 -2.53 0.08 -1.26 -5.05 117.98 114.04 1j1c s PHE 862 Ca 0.68 1.50 0.08 0.00 0.12 0.00 0.00 56.93 59.31 1j1c s PHE 862 Cb 0.24 -3.48 0.04 0.00 -0.57 0.00 0.00 43.02 39.25 1j1c s PHE 862 CO -0.05 -1.65 0.57 0.95 -0.10 0.00 0.00 175.22 174.94 1j1c s THR 863 N -1.41 2.28 0.16 0.64 -4.23 -1.26 -5.00 115.64 106.82 1j1c s THR 863 Ca 0.60 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1j1c s THR 863 Cb -0.32 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1j1c s THR 863 CO 0.40 0.00 1.62 0.74 -0.54 0.00 0.00 174.62 176.84 1j1c h THR 864 N 0.58 1.26 0.25 3.99 2.02 -1.98 -2.10 112.91 116.94 1j1c h THR 864 Ca -0.36 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1j1c h THR 864 Cb 1.29 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1j1c h THR 864 CO 0.49 0.37 -0.26 -0.61 0.37 0.00 0.00 175.52 175.89 1j1c h GLN 865 N 0.78 -0.53 -0.82 6.66 5.75 -1.99 0.16 115.11 125.12 1j1c h GLN 865 Ca 0.15 0.04 0.15 0.00 -0.15 0.00 0.00 58.65 58.83 1j1c h GLN 865 Cb 0.48 0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.09 1j1c h GLN 865 CO 0.02 -0.35 0.54 1.49 -2.65 0.00 0.00 178.83 177.88 1j1c h GLU 866 N -0.55 0.53 0.00 1.69 4.81 -1.86 -1.76 114.58 117.45 1j1c h GLU 866 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1j1c h GLU 866 Cb 0.51 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1j1c h GLU 866 CO -0.06 0.35 -0.73 1.28 -0.73 0.00 0.00 179.01 179.13 1j1c n LEU 867 N -4.52 0.62 -0.52 1.64 4.77 -0.80 -4.52 117.00 113.67 1j1c n LEU 867 Ca 0.16 0.02 0.43 0.00 -0.03 0.00 0.00 56.01 56.59 1j1c n LEU 867 Cb 0.50 -0.17 0.71 0.00 -2.33 0.00 0.00 43.42 42.13 1j1c n LEU 867 CO 0.31 0.06 1.28 0.77 -1.33 0.00 0.00 177.39 178.49 1j1c h SER 868 N 0.00 0.16 0.48 -1.43 4.64 0.26 0.10 113.55 117.76 1j1c h SER 868 Ca 0.00 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1j1c h SER 868 Cb 0.63 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1j1c h SER 868 CO 0.00 -0.21 -0.12 0.77 -0.87 0.00 0.00 176.83 176.40 1j1c h SER 869 N 0.00 0.00 -0.24 4.97 4.64 -1.79 -3.38 113.55 117.75 1j1c h SER 869 Ca 0.90 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 62.12 1j1c h SER 869 Cb 3.03 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.97 1j1c h SER 869 CO -0.38 0.12 -0.26 -3.20 -0.87 0.00 0.00 176.83 172.24 1j1c n ASN 870 N -3.52 -2.14 -0.32 4.97 2.85 0.31 -5.06 115.26 112.36 1j1c n ASN 870 Ca -0.01 -2.14 0.17 0.00 -0.11 0.00 0.00 54.58 52.49 1j1c n ASN 870 Cb 0.26 1.18 0.36 0.00 1.24 0.00 0.00 39.78 42.83 1j1c n ASN 870 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1j1c h PRO 871 N 3.99 0.31 -0.02 1.20 0.11 -1.62 -1.24 132.00 134.72 1j1c h PRO 871 Ca -0.10 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1j1c h PRO 871 Cb 1.14 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1j1c h PRO 871 CO -0.01 0.21 0.11 -1.35 -0.21 0.00 0.00 178.00 176.75 1j1c h PRO 872 N 0.32 0.00 0.00 1.05 0.11 -1.97 -1.69 132.00 129.82 1j1c h PRO 872 Ca 0.62 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.73 1j1c h PRO 872 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1j1c h PRO 872 CO -0.60 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.10 1j1c h LEU 873 N 0.00 0.00 -2.24 2.35 3.38 -1.60 -2.13 115.31 115.08 1j1c h LEU 873 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1j1c h LEU 873 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1j1c h LEU 873 CO -0.00 0.03 0.12 0.00 0.09 0.00 0.00 178.44 178.68 1j1c h ALA 874 N 1.97 1.82 0.00 1.53 0.00 -1.49 0.98 119.26 124.07 1j1c h ALA 874 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j1c h ALA 874 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j1c h ALA 874 CO 0.00 -0.19 0.00 1.79 0.00 0.00 0.00 179.25 180.85 1j1c h THR 875 N 0.00 0.00 0.00 0.00 1.35 -1.61 -1.29 112.91 111.35 1j1c h THR 875 Ca 0.06 -0.11 -0.28 0.00 -0.55 0.00 0.00 66.41 65.53 1j1c h THR 875 Cb 0.31 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 67.56 1j1c h THR 875 CO -0.00 0.00 -1.98 -0.38 -0.25 0.00 0.00 175.52 172.91 1j1c n ILE 876 N -2.64 0.97 -0.30 6.82 5.41 0.21 -4.67 119.36 125.15 1j1c n ILE 876 Ca -0.01 -0.29 0.03 0.00 1.00 0.00 0.00 62.75 63.47 1j1c n ILE 876 Cb 0.11 -1.50 0.22 0.00 -0.71 0.00 0.00 39.64 37.77 1j1c n ILE 876 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1j1c h LEU 877 N -0.40 0.94 -8.25 1.39 3.38 -1.04 -3.36 115.31 107.97 1j1c h LEU 877 Ca -0.42 -0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.81 1j1c h LEU 877 Cb 1.47 -0.21 -0.24 0.00 0.09 0.00 0.00 40.66 41.77 1j1c h LEU 877 CO -0.19 0.62 -0.36 -0.63 0.09 0.00 0.00 178.44 177.97 1j1c s ILE 878 N -5.93 4.97 0.64 1.22 1.01 -0.50 -4.85 121.20 117.75 1j1c s ILE 878 Ca -0.12 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.20 1j1c s ILE 878 Cb 0.19 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1j1c s ILE 878 CO 0.80 -0.57 1.13 -2.16 0.00 0.00 0.00 174.94 174.14 1j1c s PRO 879 N 1.58 2.85 0.20 2.79 0.04 -1.26 -4.80 135.00 136.40 1j1c s PRO 879 Ca 0.04 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 1j1c s PRO 879 Cb -0.24 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.53 1j1c s PRO 879 CO 0.05 -1.23 1.58 -1.35 0.04 0.00 0.00 177.00 176.09 1j1c h PRO 880 N 0.30 -0.10 -0.17 0.56 0.11 -1.93 0.89 132.00 131.67 1j1c h PRO 880 Ca -0.48 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1j1c h PRO 880 Cb 1.26 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1j1c h PRO 880 CO 0.54 -0.06 0.21 1.12 -0.21 0.00 0.00 178.00 179.60 1j1c h HIS 881 N -0.10 0.00 0.00 0.65 2.07 -1.93 0.42 115.15 116.27 1j1c h HIS 881 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 1j1c h HIS 881 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1j1c h HIS 881 CO -0.68 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.18 1j1c n ALA 882 N -2.28 2.30 0.80 6.11 0.00 0.30 -3.12 120.51 124.62 1j1c n ALA 882 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1j1c n ALA 882 Cb 0.33 -1.47 0.17 0.00 0.00 0.00 0.00 19.45 18.48 1j1c n ALA 882 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j1c n ARG 883 N -1.86 2.34 -2.03 0.00 1.74 0.15 -4.96 116.66 112.03 1j1c n ARG 883 Ca 0.06 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.75 1j1c n ARG 883 Cb 0.38 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1j1c n ARG 883 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j1c s ILE 884 N -1.82 3.06 0.03 0.55 1.01 -1.18 -4.95 121.20 117.92 1j1c s ILE 884 Ca 0.33 0.67 -0.18 0.00 0.00 0.00 0.00 60.65 61.47 1j1c s ILE 884 Cb 0.21 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 1j1c s ILE 884 CO 0.31 0.03 1.27 1.56 0.00 0.00 0.00 174.94 178.11 1j1c h GLN 885 N 7.38 -0.56 0.00 2.79 4.20 -1.93 -3.51 115.11 123.48 1j1c h GLN 885 Ca -0.42 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1j1c h GLN 885 Cb 1.20 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1j1c h GLN 885 CO 0.90 -0.37 0.00 0.00 -0.67 0.00 0.00 178.83 178.69