#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 2.66 3.13 2.89 0.00 -0.29 -2.58 105.19 111.00 3rpb n GLY 542 Ca 0.00 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.34 2.31 -0.16 1.61 3.01 0.53 -1.10 119.74 123.60 3rpb s LYS 543 Ca 0.00 -0.66 -0.04 0.00 -1.01 0.00 0.00 55.97 54.27 3rpb s LYS 543 Cb 0.00 -1.83 -0.03 0.00 -1.01 0.00 0.00 37.83 34.97 3rpb s LYS 543 CO 0.00 0.14 -0.04 -1.50 0.51 0.00 0.00 175.35 174.46 3rpb s ILE 544 N 0.40 3.83 -0.35 2.17 -1.16 -0.59 0.11 121.20 125.62 3rpb s ILE 544 Ca -0.14 -0.38 -0.29 0.00 -0.51 0.00 0.00 60.65 59.33 3rpb s ILE 544 Cb -0.16 -2.68 0.02 0.00 0.61 0.00 0.00 42.46 40.25 3rpb s ILE 544 CO 0.06 0.49 1.09 -0.22 -2.81 0.00 0.00 174.94 173.55 3rpb s LEU 545 N 0.43 3.88 -0.07 8.50 2.96 0.53 -1.36 118.68 133.55 3rpb s LEU 545 Ca -0.04 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.87 3rpb s LEU 545 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3rpb s LEU 545 CO 0.03 -0.95 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.21 3rpb s VAL 546 N 3.81 2.42 -0.02 1.68 1.01 -0.95 -1.59 120.40 126.75 3rpb s VAL 546 Ca 0.46 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3rpb s VAL 546 Cb -0.11 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3rpb s VAL 546 CO 0.18 0.57 -0.07 -0.94 0.00 0.00 0.00 175.10 174.84 3rpb s SER 547 N -0.19 4.58 0.23 3.32 1.04 0.38 -1.94 113.70 121.13 3rpb s SER 547 Ca -0.02 -0.11 0.12 0.00 0.48 0.00 0.00 55.95 56.42 3rpb s SER 547 Cb -0.14 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 64.85 3rpb s SER 547 CO 0.03 0.31 -0.22 -0.76 0.98 0.00 0.00 173.24 173.59 3rpb s LEU 548 N -1.16 2.50 0.00 2.42 1.43 0.72 0.16 118.68 124.76 3rpb s LEU 548 Ca 0.15 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3rpb s LEU 548 Cb -0.11 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.98 3rpb s LEU 548 CO 0.05 0.08 0.00 0.80 0.23 0.00 0.00 176.35 177.51 3rpb n MET 549 N -0.11 0.00 -4.25 1.70 1.56 -0.35 0.12 117.12 115.79 3rpb n MET 549 Ca -0.09 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 56.99 3rpb n MET 549 Cb 0.58 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.84 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 3.15 -1.04 1.12 5.04 -1.09 0.26 117.35 124.78 3rpb s TYR 550 Ca 0.00 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 3rpb s TYR 550 Cb 0.00 -1.95 0.26 0.00 0.35 0.00 0.00 41.96 40.62 3rpb s TYR 550 CO 0.00 0.17 1.01 0.45 -1.34 0.00 0.00 175.55 175.85 3rpb n SER 551 N 3.14 5.09 -0.33 4.32 2.88 0.44 -3.02 113.62 126.15 3rpb n SER 551 Ca -0.17 -3.08 0.20 0.00 -1.33 0.00 0.00 58.87 54.48 3rpb n SER 551 Cb 0.53 -1.26 0.41 0.00 -0.75 0.00 0.00 64.21 63.13 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 3.77 0.35 -0.70 2.46 1.35 -1.93 0.70 112.91 118.91 3rpb h THR 552 Ca 0.18 -0.12 0.14 0.00 -0.55 0.00 0.00 66.41 66.06 3rpb h THR 552 Cb 0.84 -0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 67.14 3rpb h THR 552 CO 0.97 0.06 0.18 -0.61 -0.25 0.00 0.00 175.52 175.87 3rpb h GLN 553 N 0.35 0.28 0.00 4.72 -0.00 -1.94 0.13 115.11 118.65 3rpb h GLN 553 Ca 0.67 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.30 3rpb h GLN 553 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.85 3rpb h GLN 553 CO -0.59 0.19 -0.55 1.96 0.00 0.00 0.00 178.83 179.83 3rpb h GLN 554 N 0.29 0.00 -1.79 1.69 1.08 -0.35 -3.48 115.11 112.56 3rpb h GLN 554 Ca 0.38 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.51 3rpb h GLN 554 Cb 0.62 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.07 3rpb h GLN 554 CO -0.46 0.00 -0.13 0.41 -0.95 0.00 0.00 178.83 177.70 3rpb n GLY 555 N 1.17 0.62 3.61 3.46 0.00 0.19 -5.05 105.19 109.19 3rpb n GLY 555 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.04 0.15 0.29 -0.02 0.00 -1.16 -4.00 107.32 99.53 3rpb s GLY 556 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 3rpb s GLY 556 CO 0.13 -0.37 0.49 -2.27 0.00 0.00 0.00 173.10 171.08 3rpb s LEU 557 N -2.94 4.10 -0.14 0.66 2.96 -0.93 -0.42 118.68 121.97 3rpb s LEU 557 Ca 0.14 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3rpb s LEU 557 Cb -0.02 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.40 3rpb s LEU 557 CO 0.03 -0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.11 3rpb s ILE 558 N -2.13 1.48 -0.24 6.68 -1.09 0.71 0.18 121.20 126.80 3rpb s ILE 558 Ca 0.40 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 58.18 3rpb s ILE 558 Cb -0.10 -1.40 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 3rpb s ILE 558 CO 0.32 0.44 0.05 -0.69 -1.23 0.00 0.00 174.94 173.84 3rpb s VAL 559 N 1.53 4.20 -0.38 2.92 1.01 -1.07 -1.21 120.40 127.40 3rpb s VAL 559 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 3rpb s VAL 559 Cb -0.13 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.35 3rpb s VAL 559 CO -0.10 0.36 0.19 -0.83 0.00 0.00 0.00 175.10 174.72 3rpb s GLY 560 N 1.54 1.92 -0.77 4.51 0.00 0.42 0.26 107.32 115.19 3rpb s GLY 560 Ca 0.06 -1.86 -0.22 0.00 0.00 0.00 0.00 44.72 42.70 3rpb s GLY 560 CO 0.03 0.86 1.08 -0.42 0.00 0.00 0.00 173.10 174.65 3rpb s ILE 561 N 1.47 4.32 0.00 0.90 -1.09 0.47 0.14 121.20 127.42 3rpb s ILE 561 Ca 0.01 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 3rpb s ILE 561 Cb -0.20 -4.77 0.00 0.00 -1.58 0.00 0.00 42.46 35.91 3rpb s ILE 561 CO 0.04 -1.56 0.13 -0.38 -1.23 0.00 0.00 174.94 171.95 3rpb n ILE 562 N 5.96 0.00 -3.90 2.92 5.41 -0.62 0.25 119.36 129.38 3rpb n ILE 562 Ca 0.07 0.34 -0.08 0.00 1.00 0.00 0.00 62.75 64.08 3rpb n ILE 562 Cb 0.47 -0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 38.63 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 -0.51 1.73 0.22 0.38 1.70 -1.22 0.25 118.95 121.50 3rpb s ARG 563 Ca 0.00 -1.07 0.08 0.00 -0.47 0.00 0.00 55.73 54.27 3rpb s ARG 563 Cb 0.00 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 3rpb s ARG 563 CO 0.00 -0.78 -0.14 0.00 -1.08 0.00 0.00 175.30 173.31 3rpb s VAL 565 N -2.95 0.06 -1.13 0.00 -7.23 0.12 -3.65 120.40 105.61 3rpb s VAL 565 Ca 0.24 -0.48 -0.13 0.00 -1.81 0.00 0.00 61.98 59.80 3rpb s VAL 565 Cb -0.01 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 3rpb s VAL 565 CO 0.08 -0.26 0.83 1.57 -0.31 0.00 0.00 175.10 177.00 3rpb n HIS 566 N 2.09 -2.11 -3.30 2.82 -0.00 -1.18 -0.35 115.22 113.19 3rpb n HIS 566 Ca -0.19 0.65 -0.31 0.00 0.46 0.00 0.00 57.72 58.34 3rpb n HIS 566 Cb 0.57 -3.83 -0.04 0.00 -0.12 0.00 0.00 29.99 26.57 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 -6.11 4.08 0.62 0.27 1.43 -0.87 -1.14 118.68 116.96 3rpb s LEU 567 Ca 0.40 0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.22 3rpb s LEU 567 Cb -0.11 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 3rpb s LEU 567 CO 0.81 -0.16 1.15 0.00 0.23 0.00 0.00 176.35 178.37 3rpb s ALA 568 N -1.99 2.51 -0.26 4.21 0.00 -1.07 -4.80 121.76 120.36 3rpb s ALA 568 Ca 0.47 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 3rpb s ALA 568 Cb -0.11 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3rpb s ALA 568 CO 0.25 -1.17 0.06 0.00 0.00 0.00 0.00 175.76 174.91 3rpb s ALA 569 N -1.97 3.09 -0.23 0.00 0.00 -1.26 -4.32 121.76 117.07 3rpb s ALA 569 Ca 0.72 -1.24 0.21 0.00 0.00 0.00 0.00 51.96 51.64 3rpb s ALA 569 Cb -0.24 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.83 3rpb s ALA 569 CO 0.36 -0.63 1.10 0.52 0.00 0.00 0.00 175.76 177.11 3rpb h MET 570 N 8.23 0.00 -7.10 0.00 2.86 -1.56 -3.45 114.93 113.90 3rpb h MET 570 Ca -0.36 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.80 3rpb h MET 570 Cb 1.16 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.87 3rpb h MET 570 CO 0.59 0.11 0.16 -0.51 1.06 0.00 0.00 176.91 178.32 3rpb s ASP 571 N -5.67 5.53 0.00 1.22 1.11 -1.01 -4.97 116.67 112.88 3rpb s ASP 571 Ca 0.00 0.65 0.29 0.00 0.18 0.00 0.00 52.55 53.67 3rpb s ASP 571 Cb 0.09 -1.62 1.42 0.00 1.07 0.00 0.00 42.92 43.88 3rpb s ASP 571 CO 0.78 -1.09 1.98 0.00 1.18 0.00 0.00 175.17 178.01 3rpb n ALA 572 N -2.58 2.40 0.93 5.23 0.00 -1.26 -2.90 120.51 122.33 3rpb n ALA 572 Ca 0.05 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3rpb n ALA 572 Cb 0.58 -1.46 0.48 0.00 0.00 0.00 0.00 19.45 19.04 3rpb n ALA 572 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3rpb n ASN 573 N -1.30 0.26 0.00 0.00 5.15 -1.26 -4.91 115.26 113.20 3rpb n ASN 573 Ca 0.13 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 3rpb n ASN 573 Cb 0.24 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3rpb n GLY 574 N 1.47 0.83 0.00 8.20 0.00 -1.14 -5.06 105.19 109.48 3rpb n GLY 574 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.22 0.00 -3.85 1.61 4.02 -1.26 -4.53 117.16 110.93 3rpb n TYR 575 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 3rpb n TYR 575 Cb 0.00 0.00 -0.02 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 -0.66 -0.24 -0.64 7.72 0.01 -1.25 -1.34 113.70 117.30 3rpb s SER 576 Ca 0.00 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 56.70 3rpb s SER 576 Cb 0.00 0.70 0.34 0.00 0.21 0.00 0.00 66.02 67.27 3rpb s SER 576 CO 0.00 -1.31 1.08 0.47 0.41 0.00 0.00 173.24 173.90 3rpb n ASP 577 N -0.49 4.93 -4.77 2.44 8.00 -1.26 0.78 116.55 126.18 3rpb n ASP 577 Ca -0.04 -3.69 -0.38 0.00 0.71 0.00 0.00 54.79 51.39 3rpb n ASP 577 Cb 0.59 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3rpb s PRO 578 N -3.61 3.70 0.08 -0.24 0.04 -1.22 0.22 135.00 133.97 3rpb s PRO 578 Ca 0.48 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3rpb s PRO 578 Cb 0.27 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3rpb s PRO 578 CO -0.14 -0.65 0.05 -0.59 0.04 0.00 0.00 177.00 175.71 3rpb s PHE 579 N -1.43 0.51 -0.11 0.56 -0.71 0.72 -2.39 117.98 115.13 3rpb s PHE 579 Ca 0.63 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 3rpb s PHE 579 Cb -0.33 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.14 3rpb s PHE 579 CO 0.40 -0.46 -0.12 0.08 -1.34 0.00 0.00 175.22 173.78 3rpb s VAL 580 N -3.94 3.17 -0.09 -2.49 1.01 -1.26 -0.72 120.40 116.09 3rpb s VAL 580 Ca 0.11 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3rpb s VAL 580 Cb 0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3rpb s VAL 580 CO -0.07 0.54 -0.16 -0.54 0.00 0.00 0.00 175.10 174.87 3rpb s LYS 581 N 0.05 2.90 -0.03 2.72 1.02 0.20 0.22 119.74 126.82 3rpb s LYS 581 Ca -0.04 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.28 3rpb s LYS 581 Cb -0.14 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3rpb s LYS 581 CO 0.04 0.39 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.13 3rpb s LEU 582 N -0.14 2.03 -0.14 3.17 1.02 -0.97 -0.37 118.68 123.28 3rpb s LEU 582 Ca -0.02 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 3rpb s LEU 582 Cb -0.14 -1.18 0.07 0.00 0.02 0.00 0.00 46.19 44.96 3rpb s LEU 582 CO 0.04 0.25 0.24 0.86 0.02 0.00 0.00 176.35 177.75 3rpb s TRP 583 N -0.34 -0.36 -0.37 0.29 -0.00 -1.05 0.15 118.94 117.26 3rpb s TRP 583 Ca 0.03 0.75 -0.18 0.00 -0.00 0.00 0.00 56.10 56.70 3rpb s TRP 583 Cb -0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 33.47 33.22 3rpb s TRP 583 CO 0.01 -0.40 0.48 -1.17 -0.00 0.00 0.00 176.95 175.87 3rpb s LEU 584 N 2.38 4.49 0.37 5.86 2.96 -1.25 -0.67 118.68 132.82 3rpb s LEU 584 Ca 0.03 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3rpb s LEU 584 Cb -0.13 -2.52 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 3rpb s LEU 584 CO -0.09 -0.51 0.53 -0.54 -1.32 0.00 0.00 176.35 174.42 3rpb s LYS 585 N 2.32 3.02 -0.53 1.98 1.02 0.15 -3.54 119.74 124.17 3rpb s LYS 585 Ca 0.16 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 3rpb s LYS 585 Cb -0.16 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3rpb s LYS 585 CO 0.14 -0.08 1.20 -2.14 -0.92 0.00 0.00 175.35 173.55 3rpb s PRO 586 N -4.28 3.59 0.00 -1.68 0.02 -1.26 -0.41 135.00 130.97 3rpb s PRO 586 Ca 0.48 0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.94 3rpb s PRO 586 Cb -0.10 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.44 3rpb s PRO 586 CO 0.33 -1.57 0.00 -0.40 -0.33 0.00 0.00 177.00 175.02 3rpb n ASP 587 N 8.32 0.00 0.08 2.53 5.75 -1.23 -4.81 116.55 127.18 3rpb n ASP 587 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.74 3rpb n ASP 587 Cb 0.49 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.44 3rpb n ASP 587 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3rpb h MET 588 N 0.00 0.21 0.00 0.11 -0.00 -1.94 -3.39 114.93 109.92 3rpb h MET 588 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 59.70 59.35 3rpb h MET 588 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 3rpb h MET 588 CO 0.00 1.12 0.00 0.41 -0.00 0.00 0.00 176.91 178.44 3rpb n GLY 589 N 1.54 0.29 2.46 -3.00 0.00 -1.26 -5.01 105.19 100.21 3rpb n GLY 589 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.27 0.00 -0.08 1.61 4.81 -1.26 -4.76 118.16 118.21 3rpb n LYS 590 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3rpb n LYS 590 Cb 0.06 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.17 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3rpb n LYS 591 N 0.00 1.36 0.22 1.64 5.02 -1.26 -4.04 118.16 121.10 3rpb n LYS 591 Ca 0.00 -0.54 0.18 0.00 -2.02 0.00 0.00 58.31 55.93 3rpb n LYS 591 Cb 0.00 -1.13 0.84 0.00 -0.02 0.00 0.00 35.03 34.72 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb h ALA 592 N 3.25 1.69 -3.01 7.82 0.00 -1.89 -3.42 119.26 123.70 3rpb h ALA 592 Ca 0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 3rpb h ALA 592 Cb 0.22 0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.16 3rpb h ALA 592 CO 0.00 -0.38 0.50 0.15 0.00 0.00 0.00 179.25 179.53 3rpb s LYS 593 N -4.44 2.68 0.27 0.00 -0.14 -1.25 -3.85 119.74 113.01 3rpb s LYS 593 Ca -0.04 1.99 -0.06 0.00 -1.36 0.00 0.00 55.97 56.49 3rpb s LYS 593 Cb 0.13 -1.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 3rpb s LYS 593 CO 0.46 -1.48 0.39 -1.01 -0.76 0.00 0.00 175.35 172.95 3rpb s HIS 594 N -1.46 0.79 -0.27 3.18 3.76 0.39 -4.87 115.29 116.82 3rpb s HIS 594 Ca 0.81 -1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 3rpb s HIS 594 Cb -0.35 -0.09 0.08 0.00 1.11 0.00 0.00 32.58 33.32 3rpb s HIS 594 CO 0.38 -0.95 0.69 0.21 -0.85 0.00 0.00 174.74 174.21 3rpb s LYS 595 N -3.75 0.73 0.57 1.40 2.20 -1.24 -2.29 119.74 117.37 3rpb s LYS 595 Ca 0.29 1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 57.02 3rpb s LYS 595 Cb 0.01 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 3rpb s LYS 595 CO 0.14 -0.14 0.84 0.95 -0.36 0.00 0.00 175.35 176.78 3rpb s THR 596 N 1.27 3.14 0.29 3.43 -4.23 0.60 -4.93 115.64 115.22 3rpb s THR 596 Ca -0.07 -0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 3rpb s THR 596 Cb -0.05 -3.23 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 3rpb s THR 596 CO -0.14 -0.20 1.13 0.00 -0.54 0.00 0.00 174.62 174.87 3rpb n GLN 597 N -2.47 1.60 -2.56 3.99 6.02 -1.26 -4.37 117.38 118.34 3rpb n GLN 597 Ca 0.06 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 57.18 3rpb n GLN 597 Cb 0.59 -2.02 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3rpb s ILE 598 N -0.93 4.51 -1.01 5.09 -1.09 -1.26 -4.67 121.20 121.84 3rpb s ILE 598 Ca 0.59 1.82 -0.11 0.00 -2.23 0.00 0.00 60.65 60.72 3rpb s ILE 598 Cb -0.67 -4.18 0.25 0.00 -1.58 0.00 0.00 42.46 36.28 3rpb s ILE 598 CO 0.59 -0.16 0.99 -0.54 -1.23 0.00 0.00 174.94 174.59 3rpb s LYS 599 N 3.34 3.98 0.67 2.79 3.01 -1.00 -5.01 119.74 127.51 3rpb s LYS 599 Ca 0.49 -2.92 -0.17 0.00 -1.01 0.00 0.00 55.97 52.36 3rpb s LYS 599 Cb -0.18 -4.53 0.01 0.00 -1.01 0.00 0.00 37.83 32.12 3rpb s LYS 599 CO 0.10 -1.28 1.21 0.15 0.51 0.00 0.00 175.35 176.04 3rpb s LYS 600 N -0.65 2.51 -0.94 1.68 -0.14 -1.26 -3.41 119.74 117.54 3rpb s LYS 600 Ca 0.26 1.79 -0.10 0.00 -1.36 0.00 0.00 55.97 56.56 3rpb s LYS 600 Cb -0.10 -1.87 0.01 0.00 -1.68 0.00 0.00 37.83 34.19 3rpb s LYS 600 CO -0.08 -1.56 0.66 1.63 -0.76 0.00 0.00 175.35 175.24 3rpb n LYS 601 N -2.23 -1.20 -3.64 1.68 4.76 -0.83 -4.86 118.16 111.84 3rpb n LYS 601 Ca 0.14 0.68 -0.03 0.00 -2.87 0.00 0.00 58.31 56.22 3rpb n LYS 601 Cb 0.50 -3.10 -0.06 0.00 -1.84 0.00 0.00 35.03 30.53 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3rpb s THR 602 N -3.17 0.00 -0.06 -0.18 -1.32 0.23 -4.85 115.64 106.29 3rpb s THR 602 Ca 0.17 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 3rpb s THR 602 Cb -0.08 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 3rpb s THR 602 CO 0.89 0.00 0.06 0.18 -2.21 0.00 0.00 174.62 173.53 3rpb n LEU 603 N 1.17 0.06 -2.53 9.08 4.77 -1.26 -3.87 117.00 124.41 3rpb n LEU 603 Ca -0.06 -0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 55.33 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 603 CO 0.04 0.01 0.05 0.59 -1.33 0.00 0.00 177.39 176.75 3rpb n ASN 604 N -1.11 3.12 -3.12 -1.43 3.02 -1.26 -2.05 115.26 112.42 3rpb n ASN 604 Ca 0.00 -3.12 -0.17 0.00 -0.03 0.00 0.00 54.58 51.25 3rpb n ASN 604 Cb 0.02 -0.47 0.13 0.00 -0.61 0.00 0.00 39.78 38.85 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3rpb n PRO 605 N -0.38 -1.33 -3.82 3.52 -0.04 -1.24 -4.83 135.00 126.88 3rpb n PRO 605 Ca 0.24 -1.15 -0.26 0.00 -0.04 0.00 0.00 63.50 62.30 3rpb n PRO 605 Cb 0.78 -0.87 -0.17 0.00 -0.04 0.00 0.00 33.50 33.20 3rpb n PRO 605 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3rpb s GLU 606 N -4.62 1.02 -0.13 0.54 2.12 -1.26 -2.66 118.70 113.72 3rpb s GLU 606 Ca 0.44 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.44 3rpb s GLU 606 Cb -0.02 -1.58 -0.08 0.00 0.26 0.00 0.00 34.13 32.71 3rpb s GLU 606 CO 0.32 -0.39 0.17 0.74 -0.54 0.00 0.00 175.26 175.55 3rpb h PHE 607 N 8.23 0.00 -6.26 5.30 0.04 0.32 -3.47 116.94 121.10 3rpb h PHE 607 Ca -0.22 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.09 3rpb h PHE 607 Cb 1.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 3rpb h PHE 607 CO 0.43 0.36 -0.83 -1.71 -0.60 0.00 0.00 178.31 175.96 3rpb n ASN 608 N -4.68 -1.82 -4.50 2.17 2.85 0.69 -4.90 115.26 105.07 3rpb n ASN 608 Ca -0.06 -0.86 -0.34 0.00 -0.11 0.00 0.00 54.58 53.21 3rpb n ASN 608 Cb 0.21 -3.73 -0.12 0.00 1.24 0.00 0.00 39.78 37.39 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 -6.29 3.67 -0.42 1.20 0.41 0.37 -4.91 118.70 112.74 3rpb s GLU 609 Ca 0.18 -0.51 -0.14 0.00 -0.41 0.00 0.00 54.97 54.08 3rpb s GLU 609 Cb -0.09 -2.92 0.04 0.00 -1.78 0.00 0.00 34.13 29.38 3rpb s GLU 609 CO 0.84 0.25 0.30 -1.83 -0.49 0.00 0.00 175.26 174.33 3rpb s GLU 610 N 0.34 2.91 0.68 1.61 4.04 -1.26 0.18 118.70 127.20 3rpb s GLU 610 Ca -0.04 -1.15 -0.02 0.00 0.04 0.00 0.00 54.97 53.80 3rpb s GLU 610 Cb -0.14 -3.95 0.09 0.00 0.02 0.00 0.00 34.13 30.15 3rpb s GLU 610 CO 0.03 -0.83 0.96 -0.06 -1.84 0.00 0.00 175.26 173.52 3rpb s PHE 611 N 1.62 2.20 -0.11 4.83 0.40 0.71 -4.92 117.98 122.72 3rpb s PHE 611 Ca 0.04 -0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.29 3rpb s PHE 611 Cb -0.21 -3.03 0.05 0.00 0.51 0.00 0.00 43.02 40.34 3rpb s PHE 611 CO 0.08 -1.47 0.26 0.12 0.70 0.00 0.00 175.22 174.90 3rpb s PHE 612 N -3.10 -0.36 0.15 0.36 5.36 -1.26 -2.59 117.98 116.54 3rpb s PHE 612 Ca 0.63 0.85 0.06 0.00 -0.96 0.00 0.00 56.93 57.50 3rpb s PHE 612 Cb -0.08 0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 3rpb s PHE 612 CO 0.43 -0.26 0.07 0.71 -1.46 0.00 0.00 175.22 174.71 3rpb s TYR 613 N 1.49 3.04 -0.85 10.12 1.51 0.48 -4.94 117.35 128.20 3rpb s TYR 613 Ca -0.07 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 3rpb s TYR 613 Cb -0.11 -1.48 0.32 0.00 -0.11 0.00 0.00 41.96 40.58 3rpb s TYR 613 CO -0.09 0.51 1.38 -3.47 -1.11 0.00 0.00 175.55 172.78 3rpb n ASP 614 N -0.11 5.94 -4.18 2.29 2.03 -1.26 -2.19 116.55 119.07 3rpb n ASP 614 Ca -0.09 -3.63 -0.22 0.00 0.52 0.00 0.00 54.79 51.38 3rpb n ASP 614 Cb 0.54 -0.94 -0.14 0.00 -0.72 0.00 0.00 41.12 39.87 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 -3.97 1.29 0.07 5.18 1.10 -1.26 -5.01 121.20 118.60 3rpb s ILE 615 Ca 0.41 -1.07 -0.30 0.00 -0.51 0.00 0.00 60.65 59.18 3rpb s ILE 615 Cb 0.19 -1.15 -0.05 0.00 0.15 0.00 0.00 42.46 41.60 3rpb s ILE 615 CO -0.09 0.06 1.08 -0.54 -2.11 0.00 0.00 174.94 173.35 3rpb s LYS 616 N -1.16 4.53 0.25 3.50 3.01 -1.26 -3.76 119.74 124.85 3rpb s LYS 616 Ca 0.03 1.62 -0.12 0.00 -1.01 0.00 0.00 55.97 56.49 3rpb s LYS 616 Cb -0.08 -3.37 0.35 0.00 -1.01 0.00 0.00 37.83 33.72 3rpb s LYS 616 CO 0.01 -0.08 1.57 1.25 0.51 0.00 0.00 175.35 178.62 3rpb h HIS 617 N 6.34 -0.65 0.00 3.18 -0.00 -1.94 1.83 115.15 123.90 3rpb h HIS 617 Ca -0.42 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3rpb h HIS 617 Cb 1.22 0.43 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 3rpb h HIS 617 CO 0.66 -0.40 0.22 0.66 -0.00 0.00 0.00 177.93 179.08 3rpb h SER 618 N -0.01 0.00 0.00 3.26 4.64 -2.00 -0.10 113.55 119.34 3rpb h SER 618 Ca 0.40 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.47 3rpb h SER 618 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 3rpb h SER 618 CO -0.93 0.00 -2.01 0.47 -0.87 0.00 0.00 176.83 173.49 3rpb n ASP 619 N -2.51 1.29 -0.00 4.97 8.00 0.59 -4.68 116.55 124.20 3rpb n ASP 619 Ca -0.02 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.48 3rpb n ASP 619 Cb 0.26 0.95 -0.00 0.00 -0.02 0.00 0.00 41.12 42.30 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3rpb n LEU 620 N -2.51 -0.01 -0.26 0.64 4.77 0.80 -0.52 117.00 119.91 3rpb n LEU 620 Ca -0.23 0.79 -0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3rpb n LEU 620 Cb 0.94 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3rpb n LEU 620 CO 0.32 -0.40 0.41 0.00 -1.33 0.00 0.00 177.39 176.39 3rpb n ALA 621 N -2.79 -0.06 0.25 -1.18 0.00 -1.25 0.28 120.51 115.76 3rpb n ALA 621 Ca 0.00 0.70 0.10 0.00 0.00 0.00 0.00 53.44 54.24 3rpb n ALA 621 Cb 0.00 -0.32 0.64 0.00 0.00 0.00 0.00 19.45 19.77 3rpb n ALA 621 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rpb h LYS 622 N 0.00 0.00 0.00 0.00 1.57 -1.10 -2.76 116.57 114.28 3rpb h LYS 622 Ca 0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 3rpb h LYS 622 Cb 0.42 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.84 3rpb h LYS 622 CO -0.69 0.16 -0.09 1.63 -0.57 0.00 0.00 179.45 179.89 3rpb n LYS 623 N -3.82 -2.84 -3.17 3.15 4.76 0.81 -4.80 118.16 112.25 3rpb n LYS 623 Ca -0.02 -0.74 0.03 0.00 -2.87 0.00 0.00 58.31 54.70 3rpb n LYS 623 Cb 0.26 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 3rpb n LYS 623 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3rpb s SER 624 N -2.39 -1.36 0.39 4.39 1.04 0.45 -4.00 113.70 112.22 3rpb s SER 624 Ca 0.34 0.38 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 3rpb s SER 624 Cb -0.06 1.99 -0.10 0.00 0.10 0.00 0.00 66.02 67.95 3rpb s SER 624 CO 0.29 -0.29 0.95 -0.22 0.98 0.00 0.00 173.24 174.95 3rpb s LEU 625 N 2.81 4.09 -0.39 2.42 2.96 0.62 0.33 118.68 131.52 3rpb s LEU 625 Ca 0.14 1.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.82 3rpb s LEU 625 Cb -0.12 -4.34 0.12 0.00 0.50 0.00 0.00 46.19 42.36 3rpb s LEU 625 CO -0.24 -0.27 0.19 -0.62 -1.32 0.00 0.00 176.35 174.09 3rpb s ASP 626 N -1.95 3.75 -0.60 3.68 2.15 0.16 0.16 116.67 124.03 3rpb s ASP 626 Ca 0.58 -2.28 -0.22 0.00 0.43 0.00 0.00 52.55 51.05 3rpb s ASP 626 Cb -0.13 -0.96 0.06 0.00 -0.30 0.00 0.00 42.92 41.59 3rpb s ASP 626 CO 0.18 -0.32 0.90 -0.63 -0.17 0.00 0.00 175.17 175.12 3rpb s ILE 627 N 0.80 4.45 -0.10 4.11 1.09 -0.13 -2.54 121.20 128.88 3rpb s ILE 627 Ca 0.15 -0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 3rpb s ILE 627 Cb -0.22 -4.57 -0.01 0.00 -1.06 0.00 0.00 42.46 36.60 3rpb s ILE 627 CO -0.07 -1.24 -0.20 -0.94 -0.10 0.00 0.00 174.94 172.39 3rpb s SER 628 N 3.26 3.42 -0.25 3.58 1.04 0.50 -0.08 113.70 125.17 3rpb s SER 628 Ca 0.23 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 3rpb s SER 628 Cb -0.16 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 3rpb s SER 628 CO 0.13 0.18 0.14 -0.69 0.98 0.00 0.00 173.24 173.98 3rpb s VAL 629 N 0.22 4.98 0.13 5.02 1.01 0.42 0.59 120.40 132.77 3rpb s VAL 629 Ca -0.13 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3rpb s VAL 629 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3rpb s VAL 629 CO 0.07 0.32 -0.25 0.26 0.00 0.00 0.00 175.10 175.50 3rpb s TRP 630 N 1.42 2.14 -0.08 5.22 0.52 0.11 -1.14 118.94 127.13 3rpb s TRP 630 Ca 0.06 -0.39 -0.26 0.00 0.02 0.00 0.00 56.10 55.53 3rpb s TRP 630 Cb -0.15 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 3rpb s TRP 630 CO 0.06 0.31 0.83 0.34 0.02 0.00 0.00 176.95 178.52 3rpb s ASP 631 N -2.09 7.10 0.41 2.95 -1.08 0.33 -0.20 116.67 124.08 3rpb s ASP 631 Ca 0.12 1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 53.46 3rpb s ASP 631 Cb -0.10 -2.47 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 3rpb s ASP 631 CO 0.06 -0.24 0.67 -0.47 0.52 0.00 0.00 175.17 175.70 3rpb s TYR 632 N 1.26 3.53 -0.28 -5.34 6.14 0.58 -0.24 117.35 123.00 3rpb s TYR 632 Ca 0.42 0.60 -0.15 0.00 0.64 0.00 0.00 57.07 58.58 3rpb s TYR 632 Cb -0.18 -2.11 0.09 0.00 0.42 0.00 0.00 41.96 40.18 3rpb s TYR 632 CO 0.19 -0.07 0.69 -0.51 0.64 0.00 0.00 175.55 176.49 3rpb s ASP 633 N -4.02 -0.98 0.15 4.32 1.11 -1.25 -4.15 116.67 111.84 3rpb s ASP 633 Ca 0.44 1.52 -0.30 0.00 0.18 0.00 0.00 52.55 54.38 3rpb s ASP 633 Cb -0.10 1.58 -0.07 0.00 1.07 0.00 0.00 42.92 45.40 3rpb s ASP 633 CO 0.40 -0.23 0.97 0.27 1.18 0.00 0.00 175.17 177.75 3rpb s ILE 634 N 1.90 4.32 0.00 0.77 -0.00 -1.26 -3.40 121.20 123.54 3rpb s ILE 634 Ca -0.09 2.04 0.00 0.00 -0.00 0.00 0.00 60.65 62.60 3rpb s ILE 634 Cb -0.06 -4.30 0.00 0.00 -0.00 0.00 0.00 42.46 38.09 3rpb s ILE 634 CO -0.20 0.37 0.00 0.61 -0.00 0.00 0.00 174.94 175.72 3rpb n GLY 635 N 2.01 2.92 1.15 6.27 0.00 -1.26 -4.96 105.19 111.32 3rpb n GLY 635 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.01 0.00 1.61 5.02 -1.22 -5.17 118.16 117.42 3rpb n LYS 636 Ca 0.00 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 3rpb n LYS 636 Cb 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3rpb n SER 637 N -1.68 -0.00 -4.77 4.39 3.41 -1.26 -4.70 113.62 108.99 3rpb n SER 637 Ca -0.03 -0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 58.06 3rpb n SER 637 Cb 0.21 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 3rpb n SER 637 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3rpb s ASN 638 N -1.01 4.43 0.11 4.04 4.22 -1.26 -3.86 114.94 121.60 3rpb s ASN 638 Ca 0.00 -1.18 0.05 0.00 -2.14 0.00 0.00 52.86 49.59 3rpb s ASN 638 Cb 0.00 -0.20 -0.04 0.00 1.28 0.00 0.00 41.25 42.30 3rpb s ASN 638 CO 0.00 -0.68 -0.12 -1.81 -2.04 0.00 0.00 177.10 172.44 3rpb s ASP 639 N -3.97 1.75 -0.36 3.54 1.11 0.67 -4.95 116.67 114.46 3rpb s ASP 639 Ca 0.36 -0.79 -0.18 0.00 0.18 0.00 0.00 52.55 52.12 3rpb s ASP 639 Cb 0.03 -0.04 -0.00 0.00 1.07 0.00 0.00 42.92 43.98 3rpb s ASP 639 CO 0.20 -0.18 0.49 -0.47 1.18 0.00 0.00 175.17 176.38 3rpb s TYR 640 N -2.16 3.18 -0.14 4.23 6.14 -1.26 0.12 117.35 127.47 3rpb s TYR 640 Ca 0.06 0.09 -0.01 0.00 0.64 0.00 0.00 57.07 57.85 3rpb s TYR 640 Cb -0.05 -2.89 -0.24 0.00 0.42 0.00 0.00 41.96 39.20 3rpb s TYR 640 CO 0.02 -0.54 0.29 -0.89 0.64 0.00 0.00 175.55 175.07 3rpb n ILE 641 N 5.41 1.69 0.00 3.14 5.41 -0.54 -4.86 119.36 129.62 3rpb n ILE 641 Ca -0.06 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.02 3rpb n ILE 641 Cb 0.49 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3rpb n ILE 641 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3rpb n GLY 642 N 1.97 3.61 0.00 7.39 0.00 -0.29 -4.76 105.19 113.11 3rpb n GLY 642 Ca -0.32 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.44 2.43 3.48 -0.02 0.00 0.76 0.16 105.19 110.57 3rpb n GLY 643 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.24 3.34 -0.29 0.00 -0.21 -1.26 -0.96 119.66 117.04 3rpb s GLN 645 Ca 0.03 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3rpb s GLN 645 Cb -0.01 -2.87 0.08 0.00 1.00 0.00 0.00 33.01 31.22 3rpb s GLN 645 CO -0.10 0.47 0.00 -0.51 -2.12 0.00 0.00 175.29 173.03 3rpb s LEU 646 N -0.24 3.52 -0.03 2.90 1.43 0.43 -4.92 118.68 121.75 3rpb s LEU 646 Ca 0.05 -1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 51.39 3rpb s LEU 646 Cb -0.13 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.74 3rpb s LEU 646 CO 0.02 -0.31 0.20 -0.83 0.23 0.00 0.00 176.35 175.66 3rpb s GLY 647 N 1.19 -0.07 0.02 -3.19 0.00 -1.26 0.23 107.32 104.24 3rpb s GLY 647 Ca 0.03 0.23 0.05 0.00 0.00 0.00 0.00 44.72 45.03 3rpb s GLY 647 CO -0.10 0.10 1.17 4.51 0.00 0.00 0.00 173.10 178.78 3rpb n ILE 648 N 1.98 1.66 0.73 0.90 3.06 -1.04 -0.56 119.36 126.08 3rpb n ILE 648 Ca -0.19 0.44 0.04 0.00 -2.50 0.00 0.00 62.75 60.54 3rpb n ILE 648 Cb 0.57 -1.37 0.15 0.00 0.54 0.00 0.00 39.64 39.53 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 -1.55 2.13 -4.82 9.51 2.88 -1.26 -4.88 113.62 115.63 3rpb n SER 649 Ca 0.01 -2.14 -0.22 0.00 -1.33 0.00 0.00 58.87 55.19 3rpb n SER 649 Cb 0.05 -0.34 0.09 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.64 4.09 -0.28 -1.46 0.00 0.27 -5.10 121.76 117.64 3rpb s ALA 650 Ca 0.21 -1.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.14 3rpb s ALA 650 Cb 0.13 -1.80 0.08 0.00 0.00 0.00 0.00 23.12 21.53 3rpb s ALA 650 CO 0.11 -1.19 0.70 0.15 0.00 0.00 0.00 175.76 175.53 3rpb s LYS 651 N -4.94 0.72 0.00 0.00 1.02 -1.26 -4.63 119.74 110.65 3rpb s LYS 651 Ca 0.64 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.83 3rpb s LYS 651 Cb -0.06 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 3rpb s LYS 651 CO 0.42 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 3rpb n GLY 652 N 4.14 3.64 0.00 -3.33 0.00 -1.26 -4.81 105.19 103.57 3rpb n GLY 652 Ca -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3rpb n GLY 652 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3rpb n GLU 653 N 0.00 0.00 -0.19 1.61 2.13 -1.26 -4.97 120.64 117.96 3rpb n GLU 653 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3rpb n GLU 653 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3rpb h ARG 654 N 0.00 0.46 -0.91 5.31 3.08 -1.91 -1.13 114.38 119.28 3rpb h ARG 654 Ca 0.00 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.14 3rpb h ARG 654 Cb 0.00 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 3rpb h ARG 654 CO 0.00 0.31 0.58 1.25 -1.07 0.00 0.00 179.97 181.04 3rpb h LEU 655 N 0.48 0.76 0.24 3.04 5.85 -1.82 0.20 115.31 124.05 3rpb h LEU 655 Ca 0.26 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3rpb h LEU 655 Cb 0.24 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3rpb h LEU 655 CO -0.22 0.42 -0.14 0.07 -0.34 0.00 0.00 178.44 178.23 3rpb h LYS 656 N 0.82 -0.34 0.16 1.25 2.10 -1.59 0.76 116.57 119.73 3rpb h LYS 656 Ca 0.44 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 59.10 3rpb h LYS 656 Cb 0.54 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3rpb h LYS 656 CO -0.20 -0.23 -0.08 1.25 -2.00 0.00 0.00 179.45 178.19 3rpb h HIS 657 N -0.35 -0.20 0.74 0.07 2.76 -1.13 -1.14 115.15 115.89 3rpb h HIS 657 Ca -0.03 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3rpb h HIS 657 Cb 0.29 0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.32 3rpb h HIS 657 CO -0.08 0.14 -0.36 2.35 -1.30 0.00 0.00 177.93 178.68 3rpb h TRP 658 N -0.56 -0.92 0.77 5.26 2.91 -0.63 -2.87 115.95 119.92 3rpb h TRP 658 Ca -0.02 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 3rpb h TRP 658 Cb 0.42 0.30 0.01 0.00 -0.51 0.00 0.00 29.16 29.38 3rpb h TRP 658 CO 0.03 -0.57 -0.39 -0.92 -1.03 0.00 0.00 178.44 175.56 3rpb h TYR 659 N -1.07 -1.01 -1.48 2.65 5.03 0.41 -2.62 116.97 118.88 3rpb h TYR 659 Ca -0.10 -0.02 0.45 0.00 2.58 0.00 0.00 58.73 61.64 3rpb h TYR 659 Cb 0.76 0.34 -0.10 0.00 1.55 0.00 0.00 36.73 39.28 3rpb h TYR 659 CO 0.04 -0.62 1.01 1.05 -1.32 0.00 0.00 178.16 178.33 3rpb h GLU 660 N -1.06 0.06 -0.70 1.82 4.11 -1.20 2.20 114.58 119.82 3rpb h GLU 660 Ca -0.11 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 3rpb h GLU 660 Cb 0.82 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3rpb h GLU 660 CO 0.16 0.04 0.30 0.00 0.07 0.00 0.00 179.01 179.59 3rpb h LEU 662 N 0.98 0.73 -0.22 0.00 4.07 0.38 0.20 115.31 121.45 3rpb h LEU 662 Ca 0.24 0.04 -0.18 0.00 0.08 0.00 0.00 57.88 58.05 3rpb h LEU 662 Cb 0.17 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3rpb h LEU 662 CO -0.02 0.39 -0.56 0.07 -1.08 0.00 0.00 178.44 177.23 3rpb h LYS 663 N 0.78 0.77 -3.69 1.13 2.10 -1.12 -3.37 116.57 113.17 3rpb h LYS 663 Ca 0.44 -0.53 -0.76 0.00 -2.00 0.00 0.00 60.65 57.80 3rpb h LYS 663 Cb 0.60 0.08 -0.29 0.00 -0.90 0.00 0.00 32.23 31.72 3rpb h LYS 663 CO -0.21 1.16 0.03 -0.80 -2.00 0.00 0.00 179.45 177.63 3rpb s ASN 664 N -6.88 6.44 0.00 7.07 0.01 0.04 -4.91 114.94 116.71 3rpb s ASN 664 Ca -0.11 -2.95 0.00 0.00 -0.71 0.00 0.00 52.86 49.09 3rpb s ASN 664 Cb 0.09 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.64 3rpb s ASN 664 CO 0.87 -0.45 0.04 2.29 -1.51 0.00 0.00 177.10 178.34 3rpb n LYS 665 N 3.53 0.00 0.26 -0.60 0.00 -1.14 -3.89 118.16 116.33 3rpb n LYS 665 Ca 0.15 0.46 0.13 0.00 -0.00 0.00 0.00 58.31 59.05 3rpb n LYS 665 Cb 0.43 -0.99 0.70 0.00 -0.00 0.00 0.00 35.03 35.18 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3rpb h ASP 666 N 0.00 0.00 -3.09 -5.58 3.32 -1.89 -2.88 116.42 106.30 3rpb h ASP 666 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3rpb h ASP 666 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3rpb h ASP 666 CO 0.00 0.00 -0.26 -0.54 -1.72 0.00 0.00 179.24 176.72 3rpb s LYS 667 N -3.80 4.02 0.50 3.56 1.02 -1.25 -5.01 119.74 118.77 3rpb s LYS 667 Ca -0.03 0.28 -0.18 0.00 0.02 0.00 0.00 55.97 56.06 3rpb s LYS 667 Cb 0.07 -3.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 3rpb s LYS 667 CO 0.23 0.50 0.98 -1.59 -0.92 0.00 0.00 175.35 174.56 3rpb s LYS 668 N -0.42 4.01 0.01 1.68 0.00 -1.26 -4.61 119.74 119.15 3rpb s LYS 668 Ca 0.21 1.00 0.02 0.00 0.00 0.00 0.00 55.97 57.20 3rpb s LYS 668 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 37.83 35.52 3rpb s LYS 668 CO 0.09 -0.22 -0.06 0.42 0.00 0.00 0.00 175.35 175.58 3rpb s ILE 669 N -2.51 0.48 -0.03 3.79 1.01 0.32 -4.95 121.20 119.31 3rpb s ILE 669 Ca 0.60 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 3rpb s ILE 669 Cb -0.10 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.94 3rpb s ILE 669 CO 0.27 -0.06 0.35 -1.83 0.00 0.00 0.00 174.94 173.67 3rpb s GLU 670 N -0.66 0.67 -0.23 2.79 1.03 -1.26 0.26 118.70 121.29 3rpb s GLU 670 Ca -0.02 -0.05 -0.29 0.00 0.03 0.00 0.00 54.97 54.63 3rpb s GLU 670 Cb -0.05 0.30 0.16 0.00 -0.80 0.00 0.00 34.13 33.74 3rpb s GLU 670 CO 0.00 -0.18 1.19 -0.98 -1.33 0.00 0.00 175.26 173.96 3rpb s ARG 671 N -1.10 0.32 -0.01 -4.83 1.04 -0.82 -4.99 118.95 108.57 3rpb s ARG 671 Ca -0.11 0.10 -0.30 0.00 -1.04 0.00 0.00 55.73 54.37 3rpb s ARG 671 Cb -0.04 0.15 -0.03 0.00 -2.04 0.00 0.00 34.95 32.99 3rpb s ARG 671 CO 0.04 -0.10 1.02 -1.58 -0.04 0.00 0.00 175.30 174.64 3rpb s TRP 672 N -0.97 3.60 -0.17 5.89 0.52 -1.26 -2.24 118.94 124.31 3rpb s TRP 672 Ca 0.04 1.62 -0.06 0.00 0.02 0.00 0.00 56.10 57.72 3rpb s TRP 672 Cb -0.01 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 3rpb s TRP 672 CO -0.04 -0.23 0.03 -1.01 0.02 0.00 0.00 176.95 175.72 3rpb s HIS 673 N 1.21 3.16 -0.35 -1.98 3.76 -0.47 -4.94 115.29 115.69 3rpb s HIS 673 Ca 0.52 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 3rpb s HIS 673 Cb -0.22 -2.04 0.01 0.00 1.11 0.00 0.00 32.58 31.44 3rpb s HIS 673 CO 0.26 0.07 1.23 -0.65 -0.85 0.00 0.00 174.74 174.80 3rpb s GLN 674 N 0.41 3.88 0.18 1.40 -0.21 -1.26 -1.54 119.66 122.52 3rpb s GLN 674 Ca 0.01 1.06 -0.32 0.00 0.02 0.00 0.00 55.36 56.12 3rpb s GLN 674 Cb -0.13 -3.86 -0.12 0.00 1.00 0.00 0.00 33.01 29.89 3rpb s GLN 674 CO 0.01 -1.16 1.72 1.28 -2.12 0.00 0.00 175.29 175.03 3rpb n LEU 675 N 7.61 3.82 -4.74 2.90 4.77 -0.26 -4.66 117.00 126.45 3rpb n LEU 675 Ca 0.14 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.88 3rpb n LEU 675 Cb 0.47 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.95 3rpb n LEU 675 CO 0.64 0.09 -0.20 -1.10 -1.33 0.00 0.00 177.39 175.49 3rpb s GLN 676 N 1.49 2.15 -0.39 3.23 -1.52 0.69 -4.60 119.66 120.71 3rpb s GLN 676 Ca 0.78 -2.14 -0.03 0.00 -1.95 0.00 0.00 55.36 52.01 3rpb s GLN 676 Cb -0.54 -1.74 0.10 0.00 -0.22 0.00 0.00 33.01 30.61 3rpb s GLN 676 CO 0.35 -0.25 0.18 -0.80 -0.25 0.00 0.00 175.29 174.51 3rpb s ASN 677 N -3.89 5.24 0.00 5.90 0.02 -1.26 -0.17 114.94 120.78 3rpb s ASN 677 Ca 0.26 -1.85 0.00 0.00 -1.02 0.00 0.00 52.86 50.25 3rpb s ASN 677 Cb 0.04 -1.83 0.00 0.00 0.02 0.00 0.00 41.25 39.48 3rpb s ASN 677 CO 0.14 -0.50 0.35 1.21 0.02 0.00 0.00 177.10 178.32 3rpb n GLU 678 N 4.64 0.00 -3.25 -0.60 2.13 -1.26 -4.92 120.64 117.38 3rpb n GLU 678 Ca -0.05 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.80 3rpb n GLU 678 Cb 0.42 -0.84 -0.02 0.00 0.27 0.00 0.00 31.44 31.27 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 -1.95 -1.33 0.00 4.31 0.01 -1.26 -5.21 114.94 109.51 3rpb s ASN 679 Ca 0.00 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3rpb s ASN 679 Cb 0.00 2.18 0.00 0.00 0.41 0.00 0.00 41.25 43.84 3rpb s ASN 679 CO 0.00 -0.25 0.00 1.57 -1.51 0.00 0.00 177.10 176.91