#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rpb n GLY 542 N 0.00 1.86 3.11 -0.13 0.00 0.28 -2.76 105.19 107.55 3rpb n GLY 542 Ca 0.00 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 3rpb n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 543 N -1.98 1.39 -0.14 1.61 1.02 0.12 -0.74 119.74 121.01 3rpb s LYS 543 Ca 0.00 -0.54 -0.00 0.00 0.02 0.00 0.00 55.97 55.45 3rpb s LYS 543 Cb 0.00 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 36.01 3rpb s LYS 543 CO 0.00 0.27 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.08 3rpb s ILE 544 N -0.15 3.00 -0.15 2.17 -1.16 -0.61 0.86 121.20 125.16 3rpb s ILE 544 Ca 0.01 -0.67 -0.29 0.00 -0.51 0.00 0.00 60.65 59.19 3rpb s ILE 544 Cb -0.08 -2.27 -0.01 0.00 0.61 0.00 0.00 42.46 40.71 3rpb s ILE 544 CO 0.00 0.51 1.04 -0.22 -2.81 0.00 0.00 174.94 173.47 3rpb s LEU 545 N 0.53 4.20 -0.06 8.50 2.96 0.51 -1.62 118.68 133.70 3rpb s LEU 545 Ca -0.09 1.50 0.05 0.00 -0.22 0.00 0.00 54.13 55.38 3rpb s LEU 545 Cb -0.16 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3rpb s LEU 545 CO 0.04 -0.55 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.61 3rpb s VAL 546 N 2.49 1.81 -0.27 1.68 1.01 -0.05 -2.22 120.40 124.86 3rpb s VAL 546 Ca 0.48 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3rpb s VAL 546 Cb -0.18 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.70 3rpb s VAL 546 CO 0.14 0.51 -0.06 -0.94 0.00 0.00 0.00 175.10 174.74 3rpb s SER 547 N 0.02 4.50 0.37 3.32 1.04 0.20 -1.50 113.70 121.64 3rpb s SER 547 Ca -0.07 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.20 3rpb s SER 547 Cb -0.14 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 3rpb s SER 547 CO 0.04 -0.19 0.56 -0.76 0.98 0.00 0.00 173.24 173.87 3rpb s LEU 548 N 1.22 3.91 0.00 2.42 1.43 -0.50 0.15 118.68 127.31 3rpb s LEU 548 Ca -0.05 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3rpb s LEU 548 Cb -0.19 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3rpb s LEU 548 CO -0.04 -0.43 0.00 0.80 0.23 0.00 0.00 176.35 176.91 3rpb n MET 549 N -1.83 0.00 -3.98 1.70 1.56 -0.46 0.13 117.12 114.25 3rpb n MET 549 Ca -0.02 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.06 3rpb n MET 549 Cb 0.57 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.85 3rpb n MET 549 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3rpb s TYR 550 N 0.00 3.28 -1.11 1.12 5.04 -1.08 0.18 117.35 124.78 3rpb s TYR 550 Ca 0.00 0.13 -0.08 0.00 -2.44 0.00 0.00 57.07 54.68 3rpb s TYR 550 Cb 0.00 -2.08 0.29 0.00 0.35 0.00 0.00 41.96 40.52 3rpb s TYR 550 CO 0.00 0.20 1.24 0.45 -1.34 0.00 0.00 175.55 176.11 3rpb n SER 551 N 3.43 5.81 -0.37 4.32 2.88 0.71 -2.84 113.62 127.56 3rpb n SER 551 Ca -0.17 -3.16 0.30 0.00 -1.33 0.00 0.00 58.87 54.52 3rpb n SER 551 Cb 0.52 -1.35 0.57 0.00 -0.75 0.00 0.00 64.21 63.20 3rpb n SER 551 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3rpb h THR 552 N 3.58 0.18 0.03 2.46 1.35 -1.94 0.72 112.91 119.30 3rpb h THR 552 Ca 0.19 -0.06 0.03 0.00 -0.55 0.00 0.00 66.41 66.02 3rpb h THR 552 Cb 0.79 -0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.16 3rpb h THR 552 CO 1.13 0.03 -0.30 -0.61 -0.25 0.00 0.00 175.52 175.52 3rpb h GLN 553 N 0.17 -0.45 0.00 4.72 5.75 -1.93 -0.09 115.11 123.29 3rpb h GLN 553 Ca 0.78 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.31 3rpb h GLN 553 Cb 2.12 0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.77 3rpb h GLN 553 CO -0.55 -0.30 0.00 1.96 -2.65 0.00 0.00 178.83 177.29 3rpb h GLN 554 N -0.46 0.00 -3.29 1.69 4.20 -0.33 -3.47 115.11 113.45 3rpb h GLN 554 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 3rpb h GLN 554 Cb 0.53 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.38 3rpb h GLN 554 CO -0.23 0.00 -0.32 0.41 -0.67 0.00 0.00 178.83 178.02 3rpb n GLY 555 N 0.73 0.24 3.68 3.46 0.00 0.19 -5.03 105.19 108.46 3rpb n GLY 555 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 3rpb n GLY 555 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rpb s GLY 556 N -3.22 0.06 0.27 -0.02 0.00 -1.16 -4.10 107.32 99.15 3rpb s GLY 556 Ca 0.23 -0.42 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 3rpb s GLY 556 CO 0.33 -0.27 0.47 -2.27 0.00 0.00 0.00 173.10 171.36 3rpb s LEU 557 N -2.93 4.13 -0.14 0.66 2.96 -0.89 -0.20 118.68 122.26 3rpb s LEU 557 Ca 0.13 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3rpb s LEU 557 Cb -0.03 -3.24 0.03 0.00 0.50 0.00 0.00 46.19 43.44 3rpb s LEU 557 CO 0.04 -0.16 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.17 3rpb s ILE 558 N -2.07 1.41 -0.27 6.68 -1.09 0.48 0.17 121.20 126.51 3rpb s ILE 558 Ca 0.39 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 58.16 3rpb s ILE 558 Cb -0.10 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.39 3rpb s ILE 558 CO 0.32 0.40 0.10 -0.69 -1.23 0.00 0.00 174.94 173.83 3rpb s VAL 559 N 1.54 4.36 -0.35 2.92 1.01 -1.06 -1.35 120.40 127.48 3rpb s VAL 559 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3rpb s VAL 559 Cb -0.13 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.16 3rpb s VAL 559 CO -0.10 0.23 0.16 -0.83 0.00 0.00 0.00 175.10 174.56 3rpb s GLY 560 N 1.60 1.88 -0.66 4.51 0.00 0.39 0.22 107.32 115.28 3rpb s GLY 560 Ca 0.05 -1.70 -0.21 0.00 0.00 0.00 0.00 44.72 42.86 3rpb s GLY 560 CO 0.04 0.80 0.89 -0.42 0.00 0.00 0.00 173.10 174.42 3rpb s ILE 561 N 1.49 4.52 0.00 0.90 -1.09 0.40 0.60 121.20 128.02 3rpb s ILE 561 Ca 0.01 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3rpb s ILE 561 Cb -0.19 -4.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 3rpb s ILE 561 CO 0.05 -1.36 0.03 -0.38 -1.23 0.00 0.00 174.94 172.05 3rpb n ILE 562 N 5.76 0.00 -3.86 2.92 -0.00 -0.94 0.25 119.36 123.49 3rpb n ILE 562 Ca -0.03 0.35 -0.07 0.00 -0.00 0.00 0.00 62.75 62.99 3rpb n ILE 562 Cb 0.45 -1.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.07 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -0.69 1.83 0.22 0.38 1.70 -1.24 0.26 118.95 121.41 3rpb s ARG 563 Ca 0.00 -1.04 0.07 0.00 -0.47 0.00 0.00 55.73 54.29 3rpb s ARG 563 Cb 0.00 0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 34.94 3rpb s ARG 563 CO 0.00 -0.84 -0.10 0.00 -1.08 0.00 0.00 175.30 173.28 3rpb s VAL 565 N -3.08 0.04 -1.19 0.00 -7.23 0.25 -3.60 120.40 105.59 3rpb s VAL 565 Ca 0.24 -0.35 -0.06 0.00 -1.81 0.00 0.00 61.98 60.00 3rpb s VAL 565 Cb 0.02 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 3rpb s VAL 565 CO 0.07 -0.19 0.81 1.57 -0.31 0.00 0.00 175.10 177.05 3rpb n HIS 566 N 2.29 -2.08 -2.26 2.82 -0.00 -1.12 0.10 115.22 114.97 3rpb n HIS 566 Ca -0.17 0.77 -0.29 0.00 0.46 0.00 0.00 57.72 58.49 3rpb n HIS 566 Cb 0.57 -4.20 0.02 0.00 -0.12 0.00 0.00 29.99 26.26 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3rpb s LEU 567 N -6.27 3.32 0.54 0.27 1.43 -0.68 -0.56 118.68 116.73 3rpb s LEU 567 Ca 0.22 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.16 3rpb s LEU 567 Cb -0.05 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 3rpb s LEU 567 CO 0.80 -0.89 1.13 0.00 0.23 0.00 0.00 176.35 177.62 3rpb s ALA 568 N -3.01 2.72 -0.26 4.21 0.00 -1.11 -4.83 121.76 119.48 3rpb s ALA 568 Ca 0.53 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 3rpb s ALA 568 Cb -0.11 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3rpb s ALA 568 CO 0.48 -0.75 -0.01 0.00 0.00 0.00 0.00 175.76 175.48 3rpb s ALA 569 N -1.75 2.84 0.05 0.00 0.00 -1.25 -4.20 121.76 117.45 3rpb s ALA 569 Ca 0.72 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3rpb s ALA 569 Cb -0.24 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.93 3rpb s ALA 569 CO 0.27 -0.75 1.33 0.52 0.00 0.00 0.00 175.76 177.13 3rpb h MET 570 N 8.10 0.00 -7.24 0.00 2.86 -1.42 -3.44 114.93 113.79 3rpb h MET 570 Ca -0.34 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.82 3rpb h MET 570 Cb 1.13 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.85 3rpb h MET 570 CO 0.59 0.86 0.25 -0.51 1.06 0.00 0.00 176.91 179.16 3rpb s ASP 571 N -6.65 5.51 0.00 1.22 1.01 -1.07 -4.97 116.67 111.72 3rpb s ASP 571 Ca 0.02 0.83 0.29 0.00 0.71 0.00 0.00 52.55 54.40 3rpb s ASP 571 Cb 0.09 -1.75 1.46 0.00 1.01 0.00 0.00 42.92 43.74 3rpb s ASP 571 CO 0.80 -1.18 2.01 0.00 0.21 0.00 0.00 175.17 177.01 3rpb n ALA 572 N -2.73 2.43 0.82 5.23 0.00 -1.26 -2.88 120.51 122.11 3rpb n ALA 572 Ca 0.05 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3rpb n ALA 572 Cb 0.58 -1.47 0.45 0.00 0.00 0.00 0.00 19.45 19.00 3rpb n ALA 572 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3rpb n ASN 573 N -1.29 0.43 0.00 0.00 3.02 -1.26 -4.91 115.26 111.25 3rpb n ASN 573 Ca 0.13 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3rpb n ASN 573 Cb 0.24 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3rpb n GLY 574 N 1.41 0.84 0.76 7.41 0.00 -1.14 -5.08 105.19 109.39 3rpb n GLY 574 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 3rpb n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3rpb n TYR 575 N -2.28 0.17 -3.82 1.61 4.02 -1.26 -4.59 117.16 111.00 3rpb n TYR 575 Ca 0.00 -0.55 -0.08 0.00 -0.01 0.00 0.00 57.90 57.26 3rpb n TYR 575 Cb 0.00 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.30 3rpb n TYR 575 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3rpb s SER 576 N -1.58 0.02 -0.53 7.72 0.01 -1.25 -0.97 113.70 117.13 3rpb s SER 576 Ca 0.02 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.27 3rpb s SER 576 Cb 0.00 0.78 0.35 0.00 0.21 0.00 0.00 66.02 67.36 3rpb s SER 576 CO 0.01 -1.55 0.93 0.47 0.41 0.00 0.00 173.24 173.51 3rpb n ASP 577 N -1.44 3.89 -4.77 2.44 9.92 -1.26 0.20 116.55 125.52 3rpb n ASP 577 Ca -0.07 -3.57 -0.34 0.00 -0.53 0.00 0.00 54.79 50.28 3rpb n ASP 577 Cb 0.60 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.54 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3rpb s PRO 578 N -3.32 3.12 0.13 -0.24 0.04 -1.23 0.23 135.00 133.73 3rpb s PRO 578 Ca 0.47 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 3rpb s PRO 578 Cb 0.31 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.87 3rpb s PRO 578 CO -0.13 -1.02 0.28 -0.59 0.04 0.00 0.00 177.00 175.58 3rpb s PHE 579 N -2.00 0.13 -0.10 0.56 -0.71 -0.18 -2.01 117.98 113.67 3rpb s PHE 579 Ca 0.70 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 3rpb s PHE 579 Cb -0.23 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 3rpb s PHE 579 CO 0.33 -0.65 -0.18 0.08 -1.34 0.00 0.00 175.22 173.46 3rpb s VAL 580 N -3.88 2.67 -0.12 -2.49 1.01 -1.26 -1.39 120.40 114.95 3rpb s VAL 580 Ca 0.08 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3rpb s VAL 580 Cb 0.03 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3rpb s VAL 580 CO -0.08 0.55 -0.14 -0.54 0.00 0.00 0.00 175.10 174.89 3rpb s LYS 581 N 0.11 3.26 0.04 2.72 1.02 0.21 0.20 119.74 127.29 3rpb s LYS 581 Ca -0.08 -0.70 0.09 0.00 0.02 0.00 0.00 55.97 55.29 3rpb s LYS 581 Cb -0.15 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3rpb s LYS 581 CO 0.05 0.26 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.97 3rpb s LEU 582 N 0.23 2.16 -0.20 3.17 1.02 -0.95 -0.29 118.68 123.82 3rpb s LEU 582 Ca -0.09 -0.58 -0.06 0.00 0.02 0.00 0.00 54.13 53.42 3rpb s LEU 582 Cb -0.15 -1.29 0.09 0.00 0.02 0.00 0.00 46.19 44.86 3rpb s LEU 582 CO 0.05 0.26 0.39 0.86 0.02 0.00 0.00 176.35 177.94 3rpb s TRP 583 N -0.79 -0.75 -0.49 0.29 -0.00 -1.04 -0.49 118.94 115.67 3rpb s TRP 583 Ca 0.12 1.34 -0.22 0.00 -0.00 0.00 0.00 56.10 57.34 3rpb s TRP 583 Cb -0.10 0.22 0.04 0.00 -0.00 0.00 0.00 33.47 33.62 3rpb s TRP 583 CO 0.02 -0.50 0.74 -1.17 -0.00 0.00 0.00 176.95 176.03 3rpb s LEU 584 N 2.58 4.49 0.33 5.86 2.96 -1.23 -0.92 118.68 132.74 3rpb s LEU 584 Ca 0.01 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3rpb s LEU 584 Cb -0.13 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 3rpb s LEU 584 CO -0.13 -0.94 0.53 -0.54 -1.32 0.00 0.00 176.35 173.95 3rpb s LYS 585 N 3.13 3.49 -0.46 1.98 3.01 -0.59 -3.26 119.74 127.04 3rpb s LYS 585 Ca 0.24 -0.34 -0.29 0.00 -1.01 0.00 0.00 55.97 54.57 3rpb s LYS 585 Cb -0.15 -2.68 0.02 0.00 -1.01 0.00 0.00 37.83 34.01 3rpb s LYS 585 CO 0.18 0.18 1.25 -2.14 0.51 0.00 0.00 175.35 175.33 3rpb s PRO 586 N -4.20 3.65 -0.02 -1.68 0.02 -1.26 -1.63 135.00 129.87 3rpb s PRO 586 Ca 0.40 0.70 -0.07 0.00 0.02 0.00 0.00 61.00 62.04 3rpb s PRO 586 Cb -0.10 -3.96 -0.04 0.00 0.02 0.00 0.00 34.50 30.42 3rpb s PRO 586 CO 0.35 -1.48 0.21 -0.40 -0.33 0.00 0.00 177.00 175.35 3rpb n ASP 587 N 8.30 0.04 0.01 2.53 5.68 -1.20 -4.85 116.55 127.06 3rpb n ASP 587 Ca 0.14 0.21 0.10 0.00 -0.50 0.00 0.00 54.79 54.74 3rpb n ASP 587 Cb 0.49 -0.16 -0.13 0.00 -1.14 0.00 0.00 41.12 40.17 3rpb n ASP 587 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3rpb n MET 588 N 0.36 0.65 0.00 0.11 2.81 -1.26 -5.03 117.12 114.76 3rpb n MET 588 Ca 0.04 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3rpb n MET 588 Cb 0.01 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3rpb n GLY 589 N 1.26 4.52 0.00 3.03 0.00 -1.26 -5.05 105.19 107.69 3rpb n GLY 589 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N 0.00 1.42 0.00 1.61 3.00 -1.26 -4.60 118.16 118.33 3rpb n LYS 590 Ca 0.00 -1.04 0.08 0.00 -0.00 0.00 0.00 58.31 57.35 3rpb n LYS 590 Cb 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 35.03 34.14 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 591 N -0.28 1.51 0.32 1.64 4.76 -1.26 -4.40 118.16 120.44 3rpb n LYS 591 Ca 0.00 -1.16 0.21 0.00 -2.87 0.00 0.00 58.31 54.49 3rpb n LYS 591 Cb 0.21 -1.29 1.07 0.00 -1.84 0.00 0.00 35.03 33.17 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3rpb h ALA 592 N 3.03 1.03 -2.24 7.82 0.00 -1.93 -3.43 119.26 123.55 3rpb h ALA 592 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 3rpb h ALA 592 Cb 0.62 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.44 3rpb h ALA 592 CO 0.00 0.01 0.39 0.15 0.00 0.00 0.00 179.25 179.79 3rpb s LYS 593 N -4.06 3.86 0.23 0.00 -0.14 -1.26 -3.54 119.74 114.83 3rpb s LYS 593 Ca -0.03 0.90 -0.20 0.00 -1.36 0.00 0.00 55.97 55.28 3rpb s LYS 593 Cb 0.12 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.18 3rpb s LYS 593 CO 0.45 -0.35 0.62 -1.01 -0.76 0.00 0.00 175.35 174.31 3rpb s HIS 594 N -2.77 -0.21 -0.30 3.18 3.76 0.36 -4.91 115.29 114.39 3rpb s HIS 594 Ca 0.58 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 55.26 3rpb s HIS 594 Cb -0.10 0.55 0.15 0.00 1.11 0.00 0.00 32.58 34.29 3rpb s HIS 594 CO 0.37 -1.04 0.65 -1.59 -0.85 0.00 0.00 174.74 172.28 3rpb s LYS 595 N -3.87 0.57 0.75 1.40 0.00 -1.24 -2.24 119.74 115.09 3rpb s LYS 595 Ca 0.09 1.30 -0.11 0.00 0.00 0.00 0.00 55.97 57.25 3rpb s LYS 595 Cb -0.03 0.77 0.04 0.00 0.00 0.00 0.00 37.83 38.61 3rpb s LYS 595 CO -0.00 -0.32 1.09 0.95 0.00 0.00 0.00 175.35 177.07 3rpb s THR 596 N 2.88 3.37 0.26 3.79 -4.23 0.53 -4.91 115.64 117.32 3rpb s THR 596 Ca 0.02 0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 60.72 3rpb s THR 596 Cb -0.13 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.59 3rpb s THR 596 CO -0.19 -0.55 0.95 0.00 -0.54 0.00 0.00 174.62 174.28 3rpb n GLN 597 N -3.32 1.09 -2.40 3.99 10.64 -1.26 -4.26 117.38 121.86 3rpb n GLN 597 Ca 0.09 0.38 -0.42 0.00 -1.83 0.00 0.00 57.00 55.22 3rpb n GLN 597 Cb 0.53 -1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 28.17 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3rpb s ILE 598 N -0.92 4.13 -0.93 -0.39 -1.09 -1.26 -4.71 121.20 116.04 3rpb s ILE 598 Ca 0.62 1.46 -0.07 0.00 -2.23 0.00 0.00 60.65 60.43 3rpb s ILE 598 Cb -0.76 -3.94 0.23 0.00 -1.58 0.00 0.00 42.46 36.41 3rpb s ILE 598 CO 0.58 -0.01 0.86 -0.54 -1.23 0.00 0.00 174.94 174.60 3rpb s LYS 599 N 2.34 3.60 0.78 2.79 3.01 -0.85 -5.03 119.74 126.38 3rpb s LYS 599 Ca 0.58 -2.98 -0.15 0.00 -1.01 0.00 0.00 55.97 52.41 3rpb s LYS 599 Cb -0.26 -4.26 0.03 0.00 -1.01 0.00 0.00 37.83 32.33 3rpb s LYS 599 CO 0.23 -1.25 0.88 1.63 0.51 0.00 0.00 175.35 177.34 3rpb n LYS 600 N 2.99 0.26 -2.85 1.68 4.76 -1.26 -3.49 118.16 120.25 3rpb n LYS 600 Ca 0.19 0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.55 3rpb n LYS 600 Cb 0.40 -2.16 0.02 0.00 -1.84 0.00 0.00 35.03 31.45 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 601 N -2.06 -1.17 0.00 1.97 4.76 -0.25 -4.82 118.16 116.59 3rpb n LYS 601 Ca 0.12 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 3rpb n LYS 601 Cb 0.50 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3rpb n THR 602 N -0.66 0.00 0.28 -0.18 5.66 0.52 -4.83 114.28 115.07 3rpb n THR 602 Ca -0.11 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.93 3rpb n THR 602 Cb 0.45 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.19 3rpb n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3rpb n LEU 603 N 0.00 0.28 -2.59 1.09 4.77 -1.26 -3.93 117.00 115.36 3rpb n LEU 603 Ca 0.00 -0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 3rpb n LEU 603 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3rpb n LEU 603 CO 0.00 0.07 0.01 0.59 -1.33 0.00 0.00 177.39 176.73 3rpb n ASN 604 N -1.23 2.76 -4.78 -1.43 3.02 -1.26 -1.68 115.26 110.66 3rpb n ASN 604 Ca 0.01 -3.11 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 3rpb n ASN 604 Cb 0.12 -0.50 0.12 0.00 -0.61 0.00 0.00 39.78 38.90 3rpb n ASN 604 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3rpb s PRO 605 N -3.30 1.53 -0.23 3.52 0.04 -1.24 -4.80 135.00 130.53 3rpb s PRO 605 Ca 0.35 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.53 3rpb s PRO 605 Cb 0.43 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 33.12 3rpb s PRO 605 CO -0.05 -1.89 -0.12 -2.00 0.04 0.00 0.00 177.00 172.97 3rpb s GLU 606 N -5.52 2.30 -0.13 4.56 2.12 -1.26 -1.90 118.70 118.87 3rpb s GLU 606 Ca 0.64 -1.11 -0.22 0.00 0.36 0.00 0.00 54.97 54.64 3rpb s GLU 606 Cb -0.11 -2.70 -0.20 0.00 0.26 0.00 0.00 34.13 31.38 3rpb s GLU 606 CO 0.51 -0.47 0.61 0.74 -0.54 0.00 0.00 175.26 176.11 3rpb h PHE 607 N 7.86 -0.01 -6.36 5.30 0.04 0.33 -3.47 116.94 120.63 3rpb h PHE 607 Ca -0.26 -0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.03 3rpb h PHE 607 Cb 1.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3rpb h PHE 607 CO 0.57 0.74 -0.86 -1.71 -0.60 0.00 0.00 178.31 176.45 3rpb n ASN 608 N -4.66 -0.89 -4.46 2.17 2.85 0.71 -4.90 115.26 106.08 3rpb n ASN 608 Ca -0.08 -0.94 -0.35 0.00 -0.11 0.00 0.00 54.58 53.11 3rpb n ASN 608 Cb 0.36 -3.41 -0.12 0.00 1.24 0.00 0.00 39.78 37.85 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3rpb s GLU 609 N -6.38 3.64 -0.43 1.20 0.41 0.42 -4.91 118.70 112.65 3rpb s GLU 609 Ca 0.06 -0.51 -0.16 0.00 -0.41 0.00 0.00 54.97 53.95 3rpb s GLU 609 Cb -0.03 -3.09 0.04 0.00 -1.78 0.00 0.00 34.13 29.26 3rpb s GLU 609 CO 0.86 0.02 0.38 -1.21 -0.49 0.00 0.00 175.26 174.82 3rpb s GLU 610 N 0.99 3.01 0.62 1.61 2.02 -1.26 0.15 118.70 125.84 3rpb s GLU 610 Ca 0.02 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 3rpb s GLU 610 Cb -0.14 -4.02 0.06 0.00 0.10 0.00 0.00 34.13 30.12 3rpb s GLU 610 CO 0.02 -0.87 0.87 -0.06 0.02 0.00 0.00 175.26 175.24 3rpb s PHE 611 N 1.83 2.59 -0.10 1.61 0.40 0.61 -4.92 117.98 120.01 3rpb s PHE 611 Ca 0.07 0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.39 3rpb s PHE 611 Cb -0.20 -2.91 0.05 0.00 0.51 0.00 0.00 43.02 40.47 3rpb s PHE 611 CO 0.10 -1.17 0.20 0.12 0.70 0.00 0.00 175.22 175.16 3rpb s PHE 612 N -2.95 -0.26 0.11 0.36 5.36 -1.26 -2.55 117.98 116.79 3rpb s PHE 612 Ca 0.60 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 3rpb s PHE 612 Cb -0.09 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 3rpb s PHE 612 CO 0.41 -0.27 0.15 0.71 -1.46 0.00 0.00 175.22 174.76 3rpb s TYR 613 N 1.98 3.27 -0.85 10.12 1.51 0.46 -4.94 117.35 128.90 3rpb s TYR 613 Ca -0.01 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 3rpb s TYR 613 Cb -0.12 -1.61 0.34 0.00 -0.11 0.00 0.00 41.96 40.46 3rpb s TYR 613 CO -0.07 0.53 1.59 -3.47 -1.11 0.00 0.00 175.55 173.02 3rpb n ASP 614 N 0.03 6.48 -4.27 2.29 2.03 -1.26 -2.10 116.55 119.75 3rpb n ASP 614 Ca -0.08 -3.71 -0.26 0.00 0.52 0.00 0.00 54.79 51.26 3rpb n ASP 614 Cb 0.53 -0.95 -0.14 0.00 -0.72 0.00 0.00 41.12 39.84 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3rpb s ILE 615 N -4.56 1.76 0.18 5.18 1.10 -1.26 -5.00 121.20 118.60 3rpb s ILE 615 Ca 0.44 -1.27 -0.30 0.00 -0.51 0.00 0.00 60.65 59.01 3rpb s ILE 615 Cb 0.26 -1.54 -0.07 0.00 0.15 0.00 0.00 42.46 41.26 3rpb s ILE 615 CO -0.18 0.21 0.96 -0.54 -2.11 0.00 0.00 174.94 173.28 3rpb s LYS 616 N -1.27 4.77 0.22 3.50 -0.14 -1.26 -3.64 119.74 121.93 3rpb s LYS 616 Ca 0.08 1.48 -0.14 0.00 -1.36 0.00 0.00 55.97 56.03 3rpb s LYS 616 Cb -0.09 -3.32 0.27 0.00 -1.68 0.00 0.00 37.83 33.00 3rpb s LYS 616 CO 0.02 0.36 1.59 1.25 -0.76 0.00 0.00 175.35 177.82 3rpb h HIS 617 N 4.84 -0.57 0.00 3.18 -0.00 -1.94 1.29 115.15 121.95 3rpb h HIS 617 Ca -0.44 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3rpb h HIS 617 Cb 1.21 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.98 3rpb h HIS 617 CO 0.63 -0.35 0.25 0.77 -0.00 0.00 0.00 177.93 179.23 3rpb h SER 618 N -0.04 0.00 0.00 3.26 0.02 -2.00 0.14 113.55 114.93 3rpb h SER 618 Ca 0.33 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.04 3rpb h SER 618 Cb 0.56 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 3rpb h SER 618 CO -0.78 0.00 -1.98 0.47 -1.14 0.00 0.00 176.83 173.41 3rpb n ASP 619 N -2.59 1.39 -0.13 3.07 9.92 0.39 -4.66 116.55 123.94 3rpb n ASP 619 Ca -0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.21 3rpb n ASP 619 Cb 0.29 0.93 -0.03 0.00 -0.64 0.00 0.00 41.12 41.68 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3rpb n LEU 620 N -2.50 -0.33 -0.35 0.64 4.77 0.16 -0.12 117.00 119.25 3rpb n LEU 620 Ca -0.22 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 3rpb n LEU 620 Cb 0.93 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3rpb n LEU 620 CO 0.31 -0.68 0.56 0.00 -1.33 0.00 0.00 177.39 176.25 3rpb n ALA 621 N -3.04 -0.04 0.23 -1.18 0.00 -1.25 0.28 120.51 115.51 3rpb n ALA 621 Ca 0.01 0.95 0.10 0.00 0.00 0.00 0.00 53.44 54.50 3rpb n ALA 621 Cb 0.08 -0.46 0.50 0.00 0.00 0.00 0.00 19.45 19.58 3rpb n ALA 621 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3rpb n LYS 622 N -5.41 0.14 -1.56 0.00 5.02 0.82 -2.84 118.16 114.34 3rpb n LYS 622 Ca 0.11 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.65 3rpb n LYS 622 Cb 0.39 -1.88 0.23 0.00 -0.02 0.00 0.00 35.03 33.75 3rpb n LYS 622 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3rpb s LYS 623 N -3.42 -0.52 -0.29 1.97 -0.14 0.80 -4.71 119.74 113.43 3rpb s LYS 623 Ca 0.00 -0.40 0.02 0.00 -1.36 0.00 0.00 55.97 54.24 3rpb s LYS 623 Cb 0.07 -1.71 0.19 0.00 -1.68 0.00 0.00 37.83 34.70 3rpb s LYS 623 CO 0.24 -3.19 0.58 -1.12 -0.76 0.00 0.00 175.35 171.10 3rpb s SER 624 N -4.55 -1.37 -0.36 2.83 0.01 -0.65 -3.50 113.70 106.11 3rpb s SER 624 Ca 0.75 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 58.18 3rpb s SER 624 Cb -0.04 2.02 0.02 0.00 0.21 0.00 0.00 66.02 68.22 3rpb s SER 624 CO 0.55 -0.29 1.13 -0.22 0.41 0.00 0.00 173.24 174.82 3rpb s LEU 625 N 2.82 3.84 -0.64 2.44 2.96 0.58 -1.54 118.68 129.12 3rpb s LEU 625 Ca 0.15 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 54.79 3rpb s LEU 625 Cb -0.12 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.16 3rpb s LEU 625 CO -0.24 -1.02 0.67 -0.62 -1.32 0.00 0.00 176.35 173.82 3rpb s ASP 626 N 2.05 6.33 -0.50 3.68 -1.08 -0.10 0.26 116.67 127.31 3rpb s ASP 626 Ca 0.48 -1.86 -0.22 0.00 -0.52 0.00 0.00 52.55 50.43 3rpb s ASP 626 Cb -0.11 -2.25 0.04 0.00 -1.46 0.00 0.00 42.92 39.14 3rpb s ASP 626 CO 0.21 -0.91 0.76 -0.63 0.52 0.00 0.00 175.17 175.13 3rpb s ILE 627 N 1.76 4.66 -0.06 4.11 1.09 0.29 -2.49 121.20 130.56 3rpb s ILE 627 Ca 0.11 -0.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.70 3rpb s ILE 627 Cb -0.22 -4.37 -0.02 0.00 -1.06 0.00 0.00 42.46 36.79 3rpb s ILE 627 CO 0.01 -0.87 -0.21 -0.94 -0.10 0.00 0.00 174.94 172.82 3rpb s SER 628 N 2.57 3.40 -0.16 3.58 1.04 0.61 0.30 113.70 125.04 3rpb s SER 628 Ca 0.24 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 3rpb s SER 628 Cb -0.15 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.03 3rpb s SER 628 CO 0.17 0.26 -0.02 -0.69 0.98 0.00 0.00 173.24 173.94 3rpb s VAL 629 N -0.25 4.03 0.09 5.02 1.01 0.27 0.64 120.40 131.21 3rpb s VAL 629 Ca -0.00 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3rpb s VAL 629 Cb -0.13 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3rpb s VAL 629 CO 0.03 0.48 -0.25 0.26 0.00 0.00 0.00 175.10 175.62 3rpb s TRP 630 N 0.42 2.15 -0.24 5.22 0.52 -0.48 0.99 118.94 127.52 3rpb s TRP 630 Ca -0.03 -0.40 -0.19 0.00 0.02 0.00 0.00 56.10 55.50 3rpb s TRP 630 Cb -0.14 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3rpb s TRP 630 CO 0.02 0.21 0.58 0.16 0.02 0.00 0.00 176.95 177.95 3rpb s ASP 631 N -1.65 6.55 0.82 2.95 1.47 0.72 -1.01 116.67 126.52 3rpb s ASP 631 Ca 0.11 0.67 -0.12 0.00 1.18 0.00 0.00 52.55 54.39 3rpb s ASP 631 Cb -0.10 -2.32 0.08 0.00 -0.34 0.00 0.00 42.92 40.25 3rpb s ASP 631 CO 0.04 -0.32 1.10 -0.47 0.68 0.00 0.00 175.17 176.20 3rpb s TYR 632 N 2.29 2.71 -0.30 2.11 6.14 0.61 -0.99 117.35 129.92 3rpb s TYR 632 Ca 0.25 1.16 -0.09 0.00 0.64 0.00 0.00 57.07 59.03 3rpb s TYR 632 Cb -0.16 -3.14 0.13 0.00 0.42 0.00 0.00 41.96 39.22 3rpb s TYR 632 CO 0.09 -1.93 0.64 -0.51 0.64 0.00 0.00 175.55 174.49 3rpb s ASP 633 N -3.81 -1.16 0.05 4.32 1.11 -1.26 -4.16 116.67 111.75 3rpb s ASP 633 Ca 0.61 1.51 -0.30 0.00 0.18 0.00 0.00 52.55 54.56 3rpb s ASP 633 Cb -0.15 2.29 -0.05 0.00 1.07 0.00 0.00 42.92 46.08 3rpb s ASP 633 CO 0.55 -0.22 1.06 0.27 1.18 0.00 0.00 175.17 178.01 3rpb s ILE 634 N 2.89 4.46 0.00 0.77 -0.00 -1.26 -3.03 121.20 125.04 3rpb s ILE 634 Ca -0.04 1.82 0.00 0.00 -0.00 0.00 0.00 60.65 62.43 3rpb s ILE 634 Cb -0.12 -4.16 0.00 0.00 -0.00 0.00 0.00 42.46 38.17 3rpb s ILE 634 CO -0.19 0.17 0.00 0.61 -0.00 0.00 0.00 174.94 175.53 3rpb n GLY 635 N 2.86 1.34 0.00 6.27 0.00 -1.26 -4.94 105.19 109.46 3rpb n GLY 635 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3rpb n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 636 N -2.00 0.67 -3.73 1.61 5.02 -1.17 -5.16 118.16 113.39 3rpb n LYS 636 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3rpb n LYS 636 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3rpb s SER 637 N -0.53 6.37 0.98 4.39 0.01 -1.26 -4.71 113.70 118.95 3rpb s SER 637 Ca 0.00 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.59 3rpb s SER 637 Cb 0.00 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.26 3rpb s SER 637 CO 0.00 -0.05 0.09 -0.46 0.41 0.00 0.00 173.24 173.24 3rpb n ASN 638 N -0.77 0.01 -3.44 2.44 0.23 -1.26 -4.43 115.26 108.04 3rpb n ASN 638 Ca -0.05 -1.04 -0.13 0.00 -0.53 0.00 0.00 54.58 52.83 3rpb n ASN 638 Cb 0.54 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 38.15 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3rpb s ASP 639 N -1.34 -0.58 -0.40 0.53 1.01 -0.16 -4.93 116.67 110.80 3rpb s ASP 639 Ca 0.05 0.10 -0.22 0.00 0.71 0.00 0.00 52.55 53.20 3rpb s ASP 639 Cb -0.00 0.59 0.01 0.00 1.01 0.00 0.00 42.92 44.53 3rpb s ASP 639 CO 0.04 -0.91 0.70 -0.47 0.21 0.00 0.00 175.17 174.74 3rpb s TYR 640 N -3.37 3.09 -0.13 4.23 6.14 -1.26 0.26 117.35 126.31 3rpb s TYR 640 Ca -0.01 0.26 -0.10 0.00 0.64 0.00 0.00 57.07 57.86 3rpb s TYR 640 Cb -0.01 -3.36 -0.08 0.00 0.42 0.00 0.00 41.96 38.93 3rpb s TYR 640 CO -0.10 -0.79 0.13 0.82 0.64 0.00 0.00 175.55 176.26 3rpb h ILE 641 N 5.81 0.45 0.00 3.14 2.04 0.33 -3.46 117.51 125.82 3rpb h ILE 641 Ca -0.25 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3rpb h ILE 641 Cb 1.10 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3rpb h ILE 641 CO 0.89 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.81 3rpb n GLY 642 N 1.67 0.75 0.00 5.37 0.00 -0.50 -4.63 105.19 107.86 3rpb n GLY 642 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3rpb n GLY 642 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rpb n GLY 643 N -0.01 2.31 0.00 -0.02 0.00 0.14 0.96 105.19 108.56 3rpb n GLY 643 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -2.00 3.05 -0.48 0.00 -0.21 -1.26 -0.54 119.66 118.21 3rpb s GLN 645 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 54.90 3rpb s GLN 645 Cb 0.00 -2.72 0.13 0.00 1.00 0.00 0.00 33.01 31.42 3rpb s GLN 645 CO 0.00 0.56 0.25 -0.51 -2.12 0.00 0.00 175.29 173.47 3rpb s LEU 646 N -0.52 3.52 0.02 2.90 1.43 0.74 -4.89 118.68 121.88 3rpb s LEU 646 Ca 0.08 -2.84 0.00 0.00 -1.03 0.00 0.00 54.13 50.34 3rpb s LEU 646 Cb -0.12 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 3rpb s LEU 646 CO 0.02 -0.25 -0.03 -0.83 0.23 0.00 0.00 176.35 175.49 3rpb s GLY 647 N 0.00 0.24 0.11 -3.19 0.00 -1.26 0.21 107.32 103.44 3rpb s GLY 647 Ca 0.17 -0.54 0.09 0.00 0.00 0.00 0.00 44.72 44.45 3rpb s GLY 647 CO -0.00 -0.59 1.27 4.51 0.00 0.00 0.00 173.10 178.28 3rpb n ILE 648 N 1.78 1.59 0.68 0.90 3.06 -1.13 -0.33 119.36 125.91 3rpb n ILE 648 Ca -0.22 0.56 0.04 0.00 -2.50 0.00 0.00 62.75 60.62 3rpb n ILE 648 Cb 0.56 -1.54 0.15 0.00 0.54 0.00 0.00 39.64 39.34 3rpb n ILE 648 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3rpb n SER 649 N -1.77 2.21 -4.93 9.51 2.88 -1.26 -4.88 113.62 115.37 3rpb n SER 649 Ca -0.00 -2.16 -0.26 0.00 -1.33 0.00 0.00 58.87 55.11 3rpb n SER 649 Cb 0.03 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.10 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb s ALA 650 N -1.65 3.76 -0.05 -1.46 0.00 0.55 -5.10 121.76 117.81 3rpb s ALA 650 Ca 0.21 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3rpb s ALA 650 Cb 0.13 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.20 3rpb s ALA 650 CO 0.11 0.23 -0.08 -1.59 0.00 0.00 0.00 175.76 174.43 3rpb s LYS 651 N -3.75 1.22 0.00 0.00 0.00 -1.26 -4.44 119.74 111.52 3rpb s LYS 651 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 56.10 3rpb s LYS 651 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 37.83 36.64 3rpb s LYS 651 CO 0.31 -0.00 0.00 0.41 0.00 0.00 0.00 175.35 176.07 3rpb n GLY 652 N 3.83 2.15 0.25 0.59 0.00 -1.26 -4.82 105.19 105.93 3rpb n GLY 652 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.00 -0.29 1.61 1.02 -1.26 -4.91 120.64 116.81 3rpb n GLU 653 Ca 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.39 3rpb n GLU 653 Cb 0.00 -0.13 0.57 0.00 -0.02 0.00 0.00 31.44 31.86 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3rpb h ARG 654 N 0.00 0.28 -0.28 3.49 3.08 -1.90 0.72 114.38 119.78 3rpb h ARG 654 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3rpb h ARG 654 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3rpb h ARG 654 CO 0.00 0.19 0.03 1.25 -1.07 0.00 0.00 179.97 180.37 3rpb h LEU 655 N 0.29 0.37 0.72 3.04 5.85 -1.77 -1.11 115.31 122.71 3rpb h LEU 655 Ca 0.55 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.18 3rpb h LEU 655 Cb 1.58 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.52 3rpb h LEU 655 CO -0.20 0.41 -0.35 0.11 -0.34 0.00 0.00 178.44 178.08 3rpb h LYS 656 N 0.40 -0.94 0.16 1.25 1.57 0.11 0.67 116.57 119.79 3rpb h LYS 656 Ca 0.09 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3rpb h LYS 656 Cb 0.22 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3rpb h LYS 656 CO 0.00 -0.61 -0.19 1.25 -0.57 0.00 0.00 179.45 179.34 3rpb h HIS 657 N -1.21 -0.49 0.00 -1.35 2.76 -1.45 -0.32 115.15 113.09 3rpb h HIS 657 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3rpb h HIS 657 Cb 0.76 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.92 3rpb h HIS 657 CO 0.00 -0.28 0.00 1.87 -1.30 0.00 0.00 177.93 178.22 3rpb n TRP 658 N -5.31 0.00 -0.34 5.26 -0.00 -0.43 -2.50 117.44 114.13 3rpb n TRP 658 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.34 3rpb n TRP 658 Cb 0.23 -0.02 -0.08 0.00 -0.00 0.00 0.00 31.31 31.43 3rpb n TRP 658 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3rpb n TYR 659 N -0.57 -0.36 -0.48 5.87 4.19 0.23 0.12 117.16 126.15 3rpb n TYR 659 Ca 0.00 1.01 0.40 0.00 3.31 0.00 0.00 57.90 62.62 3rpb n TYR 659 Cb 0.00 -0.56 0.70 0.00 0.49 0.00 0.00 39.34 39.96 3rpb n TYR 659 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3rpb h GLU 660 N 0.00 0.07 -0.88 2.98 4.11 -1.10 2.33 114.58 122.09 3rpb h GLU 660 Ca 0.13 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.58 3rpb h GLU 660 Cb 0.33 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3rpb h GLU 660 CO -0.76 0.05 0.57 0.00 0.07 0.00 0.00 179.01 178.94 3rpb h LEU 662 N 1.13 0.00 0.16 0.00 4.07 0.41 -1.02 115.31 120.06 3rpb h LEU 662 Ca 0.35 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.96 3rpb h LEU 662 Cb -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 3rpb h LEU 662 CO -0.11 0.00 -1.80 0.07 -1.08 0.00 0.00 178.44 175.52 3rpb h LYS 663 N 0.00 0.33 -2.22 1.13 2.10 -0.45 -3.38 116.57 114.09 3rpb h LYS 663 Ca 0.00 -0.57 -0.73 0.00 -2.00 0.00 0.00 60.65 57.35 3rpb h LYS 663 Cb 0.03 0.21 -0.32 0.00 -0.90 0.00 0.00 32.23 31.25 3rpb h LYS 663 CO -0.00 1.25 0.48 0.09 -2.00 0.00 0.00 179.45 179.26 3rpb n ASN 664 N -3.53 6.43 0.00 7.07 4.13 0.67 -4.91 115.26 125.12 3rpb n ASN 664 Ca -0.26 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.30 3rpb n ASN 664 Cb 1.06 -0.96 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rpb n LYS 665 N -0.16 0.00 0.16 3.52 4.01 -0.61 -1.76 118.16 123.31 3rpb n LYS 665 Ca 0.42 0.20 0.16 0.00 -0.51 0.00 0.00 58.31 58.58 3rpb n LYS 665 Cb 0.31 -0.90 0.53 0.00 -0.51 0.00 0.00 35.03 34.47 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3rpb h ASP 666 N 0.00 0.00 -3.30 4.39 5.19 -1.85 -2.87 116.42 117.98 3rpb h ASP 666 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 3rpb h ASP 666 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 3rpb h ASP 666 CO 0.00 0.00 0.41 -0.54 -3.12 0.00 0.00 179.24 175.99 3rpb s LYS 667 N -4.28 4.37 -0.26 3.56 1.02 -0.72 -4.96 119.74 118.47 3rpb s LYS 667 Ca -0.03 1.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.83 3rpb s LYS 667 Cb 0.10 -3.54 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 3rpb s LYS 667 CO 0.32 -0.26 1.07 0.21 -0.92 0.00 0.00 175.35 175.77 3rpb s LYS 668 N 1.87 4.18 0.37 1.68 2.36 -1.26 -4.57 119.74 124.36 3rpb s LYS 668 Ca 0.42 1.27 -0.02 0.00 -2.55 0.00 0.00 55.97 55.09 3rpb s LYS 668 Cb -0.18 -3.69 -0.04 0.00 -1.05 0.00 0.00 37.83 32.88 3rpb s LYS 668 CO 0.16 -0.75 0.61 0.42 1.55 0.00 0.00 175.35 177.34 3rpb s ILE 669 N 3.41 5.03 -0.22 5.43 1.01 0.36 -4.93 121.20 131.29 3rpb s ILE 669 Ca 0.45 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.78 3rpb s ILE 669 Cb -0.14 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.56 3rpb s ILE 669 CO 0.10 -0.58 0.57 -1.61 0.00 0.00 0.00 174.94 173.43 3rpb s GLU 670 N -4.24 0.61 0.00 2.79 2.02 -1.26 -1.41 118.70 117.22 3rpb s GLU 670 Ca 0.43 0.93 -0.28 0.00 0.02 0.00 0.00 54.97 56.06 3rpb s GLU 670 Cb -0.10 0.18 0.10 0.00 0.10 0.00 0.00 34.13 34.41 3rpb s GLU 670 CO 0.37 -0.12 0.84 -0.98 0.02 0.00 0.00 175.26 175.38 3rpb s ARG 671 N 0.98 0.89 -0.15 1.61 1.04 -0.56 -5.00 118.95 117.77 3rpb s ARG 671 Ca -0.05 -0.25 -0.12 0.00 -1.04 0.00 0.00 55.73 54.26 3rpb s ARG 671 Cb -0.05 0.41 -0.05 0.00 -2.04 0.00 0.00 34.95 33.22 3rpb s ARG 671 CO -0.09 -0.37 0.26 -1.58 -0.04 0.00 0.00 175.30 173.48 3rpb s TRP 672 N -2.90 3.50 -0.15 5.89 0.52 -1.26 -0.87 118.94 123.67 3rpb s TRP 672 Ca 0.03 0.58 -0.03 0.00 0.02 0.00 0.00 56.10 56.70 3rpb s TRP 672 Cb -0.01 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3rpb s TRP 672 CO -0.07 0.35 -0.07 -1.01 0.02 0.00 0.00 176.95 176.17 3rpb s HIS 673 N 0.11 2.96 -0.53 -1.98 3.76 -0.64 -4.95 115.29 114.02 3rpb s HIS 673 Ca 0.16 -0.43 -0.28 0.00 -0.15 0.00 0.00 55.06 54.36 3rpb s HIS 673 Cb -0.13 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.64 3rpb s HIS 673 CO 0.04 -0.11 1.57 -0.65 -0.85 0.00 0.00 174.74 174.74 3rpb s GLN 674 N 0.40 3.17 0.11 1.40 -0.21 -1.26 -1.58 119.66 121.69 3rpb s GLN 674 Ca -0.06 0.65 -0.34 0.00 0.02 0.00 0.00 55.36 55.63 3rpb s GLN 674 Cb -0.15 -4.19 -0.14 0.00 1.00 0.00 0.00 33.01 29.53 3rpb s GLN 674 CO 0.04 -2.09 1.57 1.28 -2.12 0.00 0.00 175.29 173.98 3rpb n LEU 675 N 10.35 2.88 -4.46 2.90 4.77 0.08 -4.78 117.00 128.73 3rpb n LEU 675 Ca 0.16 1.08 -0.24 0.00 -0.03 0.00 0.00 56.01 56.97 3rpb n LEU 675 Cb 0.49 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 3rpb n LEU 675 CO 0.71 -0.39 -0.48 -1.10 -1.33 0.00 0.00 177.39 174.79 3rpb s GLN 676 N 1.24 1.65 -0.44 3.23 -0.21 0.18 -4.58 119.66 120.72 3rpb s GLN 676 Ca 0.82 -1.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.20 3rpb s GLN 676 Cb -0.73 -1.75 0.02 0.00 1.00 0.00 0.00 33.01 31.55 3rpb s GLN 676 CO 0.41 0.33 0.94 1.21 -2.12 0.00 0.00 175.29 176.07 3rpb s ASN 677 N -3.43 6.54 -0.16 5.90 2.47 -1.26 0.23 114.94 125.23 3rpb s ASN 677 Ca 0.29 0.23 -0.12 0.00 0.42 0.00 0.00 52.86 53.68 3rpb s ASN 677 Cb -0.05 -2.46 -0.07 0.00 -1.45 0.00 0.00 41.25 37.22 3rpb s ASN 677 CO 0.14 -1.03 -0.11 1.21 -3.72 0.00 0.00 177.10 173.59 3rpb n GLU 678 N 7.14 0.48 -4.49 0.43 2.13 -1.26 -4.97 120.64 120.11 3rpb n GLU 678 Ca 0.07 0.51 -0.22 0.00 0.66 0.00 0.00 57.16 58.18 3rpb n GLU 678 Cb 0.48 -1.68 -0.16 0.00 0.27 0.00 0.00 31.44 30.36 3rpb n GLU 678 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3rpb s ASN 679 N -6.03 1.41 0.00 4.31 0.01 -1.26 -5.19 114.94 108.19 3rpb s ASN 679 Ca -0.19 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 3rpb s ASN 679 Cb 0.03 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.32 3rpb s ASN 679 CO 0.32 0.09 0.37 1.57 -1.51 0.00 0.00 177.10 177.93