#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 1.45 2.93 -0.13 0.00 0.04 -3.28 105.19 106.20 3rpb n GLY 542 Ca 0.00 -2.13 -0.17 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 -1.62 0.56 -0.15 1.61 1.02 0.11 -1.44 119.74 119.83 3rpb s LYS 543 Ca 0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 55.82 3rpb s LYS 543 Cb 0.00 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.71 3rpb s LYS 543 CO 0.00 0.04 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.89 3rpb s ILE 544 N 0.30 3.45 -0.33 2.17 -1.16 -0.65 0.43 121.20 125.41 3rpb s ILE 544 Ca -0.03 -0.51 -0.28 0.00 -0.51 0.00 0.00 60.65 59.31 3rpb s ILE 544 Cb -0.07 -2.49 0.02 0.00 0.61 0.00 0.00 42.46 40.52 3rpb s ILE 544 CO -0.00 0.50 1.04 -0.22 -2.81 0.00 0.00 174.94 173.45 3rpb s LEU 545 N 0.46 3.94 -0.12 8.50 2.96 0.50 -1.62 118.68 133.30 3rpb s LEU 545 Ca -0.06 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3rpb s LEU 545 Cb -0.15 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 3rpb s LEU 545 CO 0.04 -0.87 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.34 3rpb s VAL 546 N 3.60 2.73 -0.23 1.68 1.01 -0.19 -1.76 120.40 127.26 3rpb s VAL 546 Ca 0.44 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3rpb s VAL 546 Cb -0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3rpb s VAL 546 CO 0.16 0.54 -0.08 -0.94 0.00 0.00 0.00 175.10 174.78 3rpb s SER 547 N 0.28 4.12 0.32 3.32 1.04 0.40 -1.61 113.70 121.57 3rpb s SER 547 Ca -0.12 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 55.67 3rpb s SER 547 Cb -0.16 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 3rpb s SER 547 CO 0.06 -0.08 0.45 -0.76 0.98 0.00 0.00 173.24 173.90 3rpb s LEU 548 N 1.36 4.01 0.00 2.42 1.43 0.79 0.25 118.68 128.94 3rpb s LEU 548 Ca 0.03 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3rpb s LEU 548 Cb -0.15 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.31 3rpb s LEU 548 CO -0.05 -0.38 0.00 0.80 0.23 0.00 0.00 176.35 176.94 3rpb n MET 549 N -1.60 0.00 -4.34 1.70 1.56 -0.29 -0.23 117.12 113.92 3rpb n MET 549 Ca -0.01 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.08 3rpb n MET 549 Cb 0.58 0.00 -0.11 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 3.08 -1.10 1.12 6.14 -0.96 0.20 117.35 125.82 3rpb s TYR 550 Ca 0.00 -0.15 -0.09 0.00 0.64 0.00 0.00 57.07 57.47 3rpb s TYR 550 Cb 0.00 -1.94 0.28 0.00 0.42 0.00 0.00 41.96 40.71 3rpb s TYR 550 CO 0.00 0.09 1.10 0.45 0.64 0.00 0.00 175.55 177.83 3rpb s SER 551 N 0.12 7.30 0.28 4.32 0.15 0.98 -2.57 113.70 124.28 3rpb s SER 551 Ca 0.00 -3.56 0.02 0.00 0.70 0.00 0.00 55.95 53.11 3rpb s SER 551 Cb -0.13 -2.21 0.61 0.00 -1.71 0.00 0.00 66.02 62.58 3rpb s SER 551 CO 0.02 -0.30 1.78 0.71 1.20 0.00 0.00 173.24 176.65 3rpb h THR 552 N 3.72 0.75 -0.93 6.45 1.35 -1.89 0.67 112.91 123.03 3rpb h THR 552 Ca 0.18 -0.25 0.35 0.00 -0.55 0.00 0.00 66.41 66.14 3rpb h THR 552 Cb 0.88 -0.05 -0.17 0.00 -1.73 0.00 0.00 68.15 67.08 3rpb h THR 552 CO 1.00 0.13 0.37 1.67 -0.25 0.00 0.00 175.52 178.45 3rpb n GLN 553 N -4.79 -0.06 -0.12 4.72 0.00 -1.26 -0.54 117.38 115.32 3rpb n GLN 553 Ca 0.20 1.31 -0.18 0.00 -0.00 0.00 0.00 57.00 58.33 3rpb n GLN 553 Cb 0.47 -2.27 -0.12 0.00 0.00 0.00 0.00 30.24 28.32 3rpb n GLN 553 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3rpb n GLN 554 N -5.17 0.66 0.00 3.69 -0.00 -0.00 -5.03 117.38 111.53 3rpb n GLN 554 Ca 0.32 0.15 0.00 0.00 -0.00 0.00 0.00 57.00 57.47 3rpb n GLN 554 Cb 1.06 -1.54 0.00 0.00 -0.00 0.00 0.00 30.24 29.77 3rpb n GLN 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3rpb n GLY 555 N 2.22 1.87 3.26 2.61 0.00 0.21 -5.11 105.19 110.25 3rpb n GLY 555 Ca -0.44 0.00 -0.14 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 -2.00 1.24 0.27 -0.02 0.00 -1.09 -4.09 107.32 101.63 3rpb s GLY 556 Ca 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 3rpb s GLY 556 CO 0.00 -1.58 0.49 -2.27 0.00 0.00 0.00 173.10 169.74 3rpb s LEU 557 N -3.20 4.11 -0.07 0.66 2.96 -0.89 -0.01 118.68 122.24 3rpb s LEU 557 Ca 0.22 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3rpb s LEU 557 Cb 0.05 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.43 3rpb s LEU 557 CO 0.04 -0.17 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.16 3rpb s ILE 558 N -2.07 1.09 -0.18 6.68 -1.09 0.52 0.15 121.20 126.30 3rpb s ILE 558 Ca 0.41 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3rpb s ILE 558 Cb -0.10 -1.01 0.01 0.00 -1.58 0.00 0.00 42.46 39.77 3rpb s ILE 558 CO 0.31 0.35 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.51 3rpb s VAL 559 N 0.79 2.34 -0.24 2.92 1.01 -1.12 -1.13 120.40 124.96 3rpb s VAL 559 Ca -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3rpb s VAL 559 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3rpb s VAL 559 CO 0.02 0.52 -0.05 -0.83 0.00 0.00 0.00 175.10 174.76 3rpb s GLY 560 N 1.21 1.62 -0.69 4.51 0.00 0.69 0.27 107.32 114.92 3rpb s GLY 560 Ca 0.03 -1.31 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 3rpb s GLY 560 CO -0.09 0.47 0.72 -0.42 0.00 0.00 0.00 173.10 173.78 3rpb s ILE 561 N 1.41 5.19 0.00 0.90 -1.09 0.25 0.15 121.20 128.01 3rpb s ILE 561 Ca 0.03 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 56.75 3rpb s ILE 561 Cb -0.15 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 3rpb s ILE 561 CO -0.04 -1.06 0.45 -0.38 -1.23 0.00 0.00 174.94 172.68 3rpb n ILE 562 N 4.92 0.00 -3.84 2.92 -0.00 -0.72 0.15 119.36 122.79 3rpb n ILE 562 Ca 0.01 0.92 -0.05 0.00 -0.00 0.00 0.00 62.75 63.62 3rpb n ILE 562 Cb 0.44 -1.85 0.02 0.00 -0.00 0.00 0.00 39.64 38.25 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 -1.77 1.67 0.15 0.38 1.70 -1.23 0.23 118.95 120.09 3rpb s ARG 563 Ca 0.00 -1.06 0.05 0.00 -0.47 0.00 0.00 55.73 54.25 3rpb s ARG 563 Cb 0.00 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3rpb s ARG 563 CO 0.00 -0.78 -0.11 0.00 -1.08 0.00 0.00 175.30 173.33 3rpb s VAL 565 N -3.29 0.05 -1.15 0.00 -7.23 0.17 -3.71 120.40 105.24 3rpb s VAL 565 Ca 0.17 -0.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.86 3rpb s VAL 565 Cb 0.02 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 3rpb s VAL 565 CO 0.01 -0.23 0.89 1.41 -0.31 0.00 0.00 175.10 176.86 3rpb n HIS 566 N 1.98 -2.22 -3.34 2.82 8.25 -1.19 0.04 115.22 121.56 3rpb n HIS 566 Ca -0.19 0.82 -0.32 0.00 -0.26 0.00 0.00 57.72 57.77 3rpb n HIS 566 Cb 0.57 -4.33 -0.06 0.00 1.12 0.00 0.00 29.99 27.29 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3rpb s LEU 567 N -6.01 4.16 0.47 2.41 1.43 -0.80 -0.78 118.68 119.56 3rpb s LEU 567 Ca 0.26 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.17 3rpb s LEU 567 Cb -0.05 -3.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3rpb s LEU 567 CO 0.77 -0.09 1.08 0.00 0.23 0.00 0.00 176.35 178.33 3rpb s ALA 568 N -1.82 2.90 -0.31 4.21 0.00 -1.21 -4.78 121.76 120.75 3rpb s ALA 568 Ca 0.48 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 3rpb s ALA 568 Cb -0.11 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.76 3rpb s ALA 568 CO 0.20 -0.43 0.02 0.00 0.00 0.00 0.00 175.76 175.56 3rpb s ALA 569 N -1.81 2.86 -0.13 0.00 0.00 -1.26 -4.40 121.76 117.02 3rpb s ALA 569 Ca 0.66 -1.77 0.16 0.00 0.00 0.00 0.00 51.96 51.01 3rpb s ALA 569 Cb -0.21 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 3rpb s ALA 569 CO 0.25 -1.29 1.07 0.52 0.00 0.00 0.00 175.76 176.31 3rpb h MET 570 N 8.04 0.00 -7.10 0.00 2.86 -1.86 -3.43 114.93 113.43 3rpb h MET 570 Ca -0.21 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.91 3rpb h MET 570 Cb 1.06 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.82 3rpb h MET 570 CO 0.55 0.39 0.45 -0.51 1.06 0.00 0.00 176.91 178.84 3rpb s ASP 571 N -6.06 5.35 0.00 1.22 1.11 -1.01 -4.89 116.67 112.40 3rpb s ASP 571 Ca -0.00 2.28 0.12 0.00 0.18 0.00 0.00 52.55 55.13 3rpb s ASP 571 Cb 0.08 -2.59 0.57 0.00 1.07 0.00 0.00 42.92 42.06 3rpb s ASP 571 CO 0.79 -1.48 1.31 0.00 1.18 0.00 0.00 175.17 176.97 3rpb n ALA 572 N -1.58 1.67 0.97 5.23 0.00 -1.26 -1.71 120.51 123.83 3rpb n ALA 572 Ca 0.13 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3rpb n ALA 572 Cb 0.50 -1.19 0.48 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.34 0.21 0.00 0.00 5.15 -1.26 -4.90 115.26 113.12 3rpb n ASN 573 Ca 0.05 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 3rpb n ASN 573 Cb 0.11 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 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 1.49 0.75 0.00 8.20 0.00 -0.69 -5.05 105.19 109.88 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 -2.17 0.00 -3.98 1.61 4.02 -1.26 -4.54 117.16 110.84 3rpb n TYR 575 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 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 -0.84 0.41 -0.55 7.72 0.01 -1.26 -2.40 113.70 116.79 3rpb s SER 576 Ca 0.00 -1.24 0.06 0.00 1.31 0.00 0.00 55.95 56.08 3rpb s SER 576 Cb 0.00 0.71 0.32 0.00 0.21 0.00 0.00 66.02 67.26 3rpb s SER 576 CO 0.00 -1.38 0.87 0.47 0.41 0.00 0.00 173.24 173.61 3rpb n ASP 577 N -1.17 3.69 -4.77 2.44 9.92 -1.26 -0.07 116.55 125.33 3rpb n ASP 577 Ca -0.02 -3.52 -0.38 0.00 -0.53 0.00 0.00 54.79 50.34 3rpb n ASP 577 Cb 0.61 -0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 40.49 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 -3.08 3.92 0.10 -0.24 0.04 -1.23 0.24 135.00 134.76 3rpb s PRO 578 Ca 0.46 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.40 3rpb s PRO 578 Cb 0.26 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3rpb s PRO 578 CO -0.11 -0.47 0.15 -0.59 0.04 0.00 0.00 177.00 176.02 3rpb s PHE 579 N -1.37 0.38 -0.13 0.56 -0.71 0.08 -2.16 117.98 114.63 3rpb s PHE 579 Ca 0.59 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 3rpb s PHE 579 Cb -0.33 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.28 3rpb s PHE 579 CO 0.42 -0.55 -0.14 0.08 -1.34 0.00 0.00 175.22 173.69 3rpb s VAL 580 N -3.92 2.96 -0.14 -2.49 1.01 -1.26 -0.88 120.40 115.68 3rpb s VAL 580 Ca 0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3rpb s VAL 580 Cb 0.05 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3rpb s VAL 580 CO -0.06 0.52 -0.08 -0.54 0.00 0.00 0.00 175.10 174.93 3rpb s LYS 581 N 0.44 3.52 -0.06 2.72 3.01 0.16 0.98 119.74 130.52 3rpb s LYS 581 Ca -0.10 -0.60 0.04 0.00 -1.01 0.00 0.00 55.97 54.30 3rpb s LYS 581 Cb -0.16 -2.77 -0.00 0.00 -1.01 0.00 0.00 37.83 33.89 3rpb s LYS 581 CO 0.05 0.23 -0.18 -0.51 0.51 0.00 0.00 175.35 175.45 3rpb s LEU 582 N 0.34 1.92 -0.10 3.17 1.02 -0.99 -0.58 118.68 123.45 3rpb s LEU 582 Ca -0.07 -0.40 -0.03 0.00 0.02 0.00 0.00 54.13 53.65 3rpb s LEU 582 Cb -0.15 -1.07 0.05 0.00 0.02 0.00 0.00 46.19 45.04 3rpb s LEU 582 CO 0.04 0.15 0.11 0.86 0.02 0.00 0.00 176.35 177.53 3rpb s TRP 583 N 0.14 0.01 -0.26 0.29 -0.00 -1.12 0.00 118.94 118.00 3rpb s TRP 583 Ca -0.07 0.19 -0.15 0.00 -0.00 0.00 0.00 56.10 56.06 3rpb s TRP 583 Cb -0.13 -0.47 -0.04 0.00 -0.00 0.00 0.00 33.47 32.83 3rpb s TRP 583 CO 0.04 -0.34 0.38 -1.17 -0.00 0.00 0.00 176.95 175.86 3rpb s LEU 584 N 2.21 4.05 0.51 5.86 2.96 -1.08 -1.90 118.68 131.30 3rpb s LEU 584 Ca 0.04 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 3rpb s LEU 584 Cb -0.13 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 44.17 3rpb s LEU 584 CO -0.06 -0.17 0.66 -0.54 -1.32 0.00 0.00 176.35 174.92 3rpb s LYS 585 N 1.97 2.48 0.08 1.98 1.02 -0.89 -2.93 119.74 123.46 3rpb s LYS 585 Ca 0.15 -1.54 0.07 0.00 0.02 0.00 0.00 55.97 54.68 3rpb s LYS 585 Cb -0.16 -2.62 0.36 0.00 -0.52 0.00 0.00 37.83 34.90 3rpb s LYS 585 CO 0.10 -0.61 1.22 -2.30 -0.92 0.00 0.00 175.35 172.84 3rpb n PRO 586 N -2.03 0.04 0.00 -1.68 -0.02 -1.26 -2.61 135.00 127.44 3rpb n PRO 586 Ca 0.11 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3rpb n PRO 586 Cb 0.61 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3rpb n PRO 586 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3rpb n ASP 587 N -1.70 -0.28 -0.12 2.55 5.75 -1.15 -5.01 116.55 116.59 3rpb n ASP 587 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.61 3rpb n ASP 587 Cb 0.03 0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 40.24 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3rpb n MET 588 N 1.48 0.64 0.00 0.11 0.00 -1.26 -5.07 117.12 113.01 3rpb n MET 588 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.84 3rpb n MET 588 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3rpb n GLY 589 N 2.28 5.67 0.49 3.17 0.00 -1.26 -5.05 105.19 110.50 3rpb n GLY 589 Ca -0.43 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 44.69 3rpb n GLY 589 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 590 N 0.00 1.71 0.00 1.61 5.02 -1.26 -4.41 118.16 120.84 3rpb n LYS 590 Ca 0.00 -1.57 0.11 0.00 -2.02 0.00 0.00 58.31 54.82 3rpb n LYS 590 Cb 0.00 -1.22 0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3rpb n LYS 591 N 0.49 1.67 0.26 1.97 5.02 -1.26 -4.36 118.16 121.94 3rpb n LYS 591 Ca 0.08 -1.34 0.18 0.00 -2.02 0.00 0.00 58.31 55.22 3rpb n LYS 591 Cb 0.33 -1.43 0.91 0.00 -0.02 0.00 0.00 35.03 34.83 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 3.94 1.53 -2.08 7.82 0.00 -1.90 -3.42 119.26 125.16 3rpb h ALA 592 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 3rpb h ALA 592 Cb 0.80 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.63 3rpb h ALA 592 CO 0.00 -0.25 -0.06 0.15 0.00 0.00 0.00 179.25 179.09 3rpb s LYS 593 N -4.41 3.03 0.32 0.00 1.02 -1.25 -2.62 119.74 115.84 3rpb s LYS 593 Ca -0.04 -0.45 -0.19 0.00 0.02 0.00 0.00 55.97 55.31 3rpb s LYS 593 Cb 0.13 -2.53 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3rpb s LYS 593 CO 0.46 -0.33 0.77 -1.01 -0.92 0.00 0.00 175.35 174.32 3rpb s HIS 594 N -2.61 -0.04 -0.30 3.18 3.76 0.10 -4.90 115.29 114.49 3rpb s HIS 594 Ca 0.49 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 3rpb s HIS 594 Cb -0.10 0.77 0.19 0.00 1.11 0.00 0.00 32.58 34.54 3rpb s HIS 594 CO 0.39 -1.37 0.61 0.15 -0.85 0.00 0.00 174.74 173.67 3rpb s LYS 595 N -3.09 0.57 0.60 1.40 3.01 -1.24 -2.35 119.74 118.64 3rpb s LYS 595 Ca 0.13 1.04 -0.19 0.00 -1.01 0.00 0.00 55.97 55.95 3rpb s LYS 595 Cb -0.05 0.58 -0.03 0.00 -1.01 0.00 0.00 37.83 37.31 3rpb s LYS 595 CO 0.09 -0.59 1.21 0.95 0.51 0.00 0.00 175.35 177.51 3rpb s THR 596 N 2.86 2.63 0.19 2.17 -4.23 0.28 -4.88 115.64 114.66 3rpb s THR 596 Ca 0.19 0.39 -0.27 0.00 -1.18 0.00 0.00 61.69 60.83 3rpb s THR 596 Cb -0.15 -3.15 -0.16 0.00 1.34 0.00 0.00 72.50 70.38 3rpb s THR 596 CO -0.21 -0.09 0.49 0.00 -0.54 0.00 0.00 174.62 174.28 3rpb n GLN 597 N -1.62 0.00 -2.45 3.99 6.02 -1.26 -4.13 117.38 117.92 3rpb n GLN 597 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3rpb n GLN 597 Cb 0.50 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 30.79 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 -0.94 4.33 -1.14 5.09 -1.09 -1.26 -4.70 121.20 121.48 3rpb s ILE 598 Ca 0.61 1.60 -0.08 0.00 -2.23 0.00 0.00 60.65 60.55 3rpb s ILE 598 Cb -0.88 -4.04 0.26 0.00 -1.58 0.00 0.00 42.46 36.21 3rpb s ILE 598 CO 0.53 -0.15 1.42 0.29 -1.23 0.00 0.00 174.94 175.80 3rpb n LYS 599 N 6.60 3.88 -2.00 2.79 4.01 -0.92 -5.01 118.16 127.51 3rpb n LYS 599 Ca 0.14 -4.26 -0.41 0.00 -0.51 0.00 0.00 58.31 53.27 3rpb n LYS 599 Cb 0.45 -2.67 -0.02 0.00 -0.51 0.00 0.00 35.03 32.29 3rpb n LYS 599 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3rpb s LYS 600 N -1.17 4.27 -0.71 1.97 1.02 -1.26 -3.54 119.74 120.32 3rpb s LYS 600 Ca 0.34 2.34 -0.04 0.00 0.02 0.00 0.00 55.97 58.63 3rpb s LYS 600 Cb -0.00 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3rpb s LYS 600 CO 0.01 -0.33 0.63 1.63 -0.92 0.00 0.00 175.35 176.37 3rpb n LYS 601 N 0.97 -1.49 -3.64 1.68 4.01 -0.06 -4.91 118.16 114.72 3rpb n LYS 601 Ca 0.01 0.72 -0.02 0.00 -0.51 0.00 0.00 58.31 58.51 3rpb n LYS 601 Cb 0.41 -4.58 -0.05 0.00 -0.51 0.00 0.00 35.03 30.30 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3rpb s THR 602 N -3.23 0.00 -0.02 -0.18 -1.32 0.90 -4.89 115.64 106.90 3rpb s THR 602 Ca 0.27 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 3rpb s THR 602 Cb -0.04 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 3rpb s THR 602 CO 0.53 0.00 0.02 0.18 -2.21 0.00 0.00 174.62 173.14 3rpb n LEU 603 N 0.76 0.02 -2.59 9.08 4.77 -1.26 -3.98 117.00 123.79 3rpb n LEU 603 Ca -0.02 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 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 0.06 0.01 -0.01 0.59 -1.33 0.00 0.00 177.39 176.71 3rpb n ASN 604 N -1.14 2.63 -3.31 -1.43 3.02 -1.26 -1.91 115.26 111.85 3rpb n ASN 604 Ca 0.00 -3.06 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 3rpb n ASN 604 Cb 0.01 -0.50 0.16 0.00 -0.61 0.00 0.00 39.78 38.84 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 -0.23 -1.61 -4.05 3.52 -0.04 -1.24 -4.86 135.00 126.50 3rpb n PRO 605 Ca 0.20 -1.37 -0.28 0.00 -0.04 0.00 0.00 63.50 62.01 3rpb n PRO 605 Cb 0.77 -1.06 -0.17 0.00 -0.04 0.00 0.00 33.50 33.00 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 -4.95 1.88 -0.14 0.54 -6.30 -1.26 -3.03 118.70 105.45 3rpb s GLU 606 Ca 0.52 -0.40 -0.09 0.00 -2.50 0.00 0.00 54.97 52.50 3rpb s GLU 606 Cb -0.03 -1.79 -0.05 0.00 0.00 0.00 0.00 34.13 32.26 3rpb s GLU 606 CO 0.38 -0.21 -0.04 0.74 0.02 0.00 0.00 175.26 176.15 3rpb h PHE 607 N 7.97 0.00 -6.49 5.30 0.04 0.28 -3.48 116.94 120.57 3rpb h PHE 607 Ca -0.33 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.94 3rpb h PHE 607 Cb 1.14 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.21 3rpb h PHE 607 CO 0.48 0.23 -0.85 -1.71 -0.60 0.00 0.00 178.31 175.85 3rpb n ASN 608 N -4.64 -1.78 -4.37 2.17 5.15 0.52 -4.90 115.26 107.41 3rpb n ASN 608 Ca -0.08 -0.96 -0.35 0.00 -0.60 0.00 0.00 54.58 52.59 3rpb n ASN 608 Cb 0.26 -3.21 -0.13 0.00 -0.53 0.00 0.00 39.78 36.17 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3rpb s GLU 609 N -6.60 3.48 -0.35 1.20 2.02 0.11 -4.93 118.70 113.62 3rpb s GLU 609 Ca 0.28 -0.58 -0.15 0.00 0.02 0.00 0.00 54.97 54.54 3rpb s GLU 609 Cb -0.15 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 3rpb s GLU 609 CO 0.88 -0.12 0.37 -1.21 0.02 0.00 0.00 175.26 175.20 3rpb s GLU 610 N 1.32 3.48 0.64 1.61 0.41 -1.26 0.87 118.70 125.77 3rpb s GLU 610 Ca 0.04 -0.48 0.06 0.00 -0.41 0.00 0.00 54.97 54.17 3rpb s GLU 610 Cb -0.14 -3.83 0.11 0.00 -1.78 0.00 0.00 34.13 28.48 3rpb s GLU 610 CO -0.01 -0.57 0.88 -0.06 -0.49 0.00 0.00 175.26 175.01 3rpb s PHE 611 N 2.02 1.40 -0.18 1.61 0.40 0.76 -4.94 117.98 119.04 3rpb s PHE 611 Ca 0.12 -0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 3rpb s PHE 611 Cb -0.17 -2.52 0.06 0.00 0.51 0.00 0.00 43.02 40.91 3rpb s PHE 611 CO 0.12 -1.41 0.44 0.12 0.70 0.00 0.00 175.22 175.18 3rpb s PHE 612 N -2.87 -0.67 0.20 0.36 5.36 -1.26 -2.81 117.98 116.30 3rpb s PHE 612 Ca 0.64 1.39 0.07 0.00 -0.96 0.00 0.00 56.93 58.07 3rpb s PHE 612 Cb -0.05 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.90 3rpb s PHE 612 CO 0.41 -0.37 0.10 0.71 -1.46 0.00 0.00 175.22 174.61 3rpb s TYR 613 N 1.52 3.00 -0.75 10.12 1.51 0.39 -4.95 117.35 128.18 3rpb s TYR 613 Ca -0.09 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3rpb s TYR 613 Cb -0.08 -1.41 0.34 0.00 -0.11 0.00 0.00 41.96 40.70 3rpb s TYR 613 CO -0.14 0.53 1.37 -0.25 -1.11 0.00 0.00 175.55 175.96 3rpb n ASP 614 N -0.56 5.82 -4.31 2.29 8.00 -1.26 -2.10 116.55 124.43 3rpb n ASP 614 Ca -0.08 -3.70 -0.29 0.00 0.71 0.00 0.00 54.79 51.42 3rpb n ASP 614 Cb 0.56 -0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3rpb s ILE 615 N -4.57 1.99 0.08 0.53 1.10 -1.26 -4.99 121.20 114.07 3rpb s ILE 615 Ca 0.45 -1.21 -0.30 0.00 -0.51 0.00 0.00 60.65 59.08 3rpb s ILE 615 Cb 0.27 -1.68 -0.06 0.00 0.15 0.00 0.00 42.46 41.15 3rpb s ILE 615 CO -0.16 0.43 1.10 -0.54 -2.11 0.00 0.00 174.94 173.66 3rpb s LYS 616 N -0.93 4.53 0.29 3.50 1.02 -1.26 -4.06 119.74 122.83 3rpb s LYS 616 Ca 0.10 1.65 -0.00 0.00 0.02 0.00 0.00 55.97 57.74 3rpb s LYS 616 Cb -0.10 -3.35 0.67 0.00 -0.52 0.00 0.00 37.83 34.53 3rpb s LYS 616 CO 0.01 -0.08 1.60 1.25 -0.92 0.00 0.00 175.35 177.21 3rpb h HIS 617 N 6.22 0.02 -0.31 3.18 -0.00 -1.95 1.61 115.15 123.93 3rpb h HIS 617 Ca -0.42 0.06 0.09 0.00 -0.00 0.00 0.00 60.37 60.10 3rpb h HIS 617 Cb 1.21 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.75 3rpb h HIS 617 CO 0.66 -0.35 0.41 0.77 -0.00 0.00 0.00 177.93 179.42 3rpb h SER 618 N 0.06 0.00 0.00 3.26 0.02 -1.98 0.35 113.55 115.26 3rpb h SER 618 Ca 0.55 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.23 3rpb h SER 618 Cb 1.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 3rpb h SER 618 CO -0.82 0.00 -2.21 0.47 -1.14 0.00 0.00 176.83 173.13 3rpb n ASP 619 N -3.53 0.39 -0.08 3.07 9.92 0.52 -4.62 116.55 122.22 3rpb n ASP 619 Ca 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.29 3rpb n ASP 619 Cb 0.56 1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 42.17 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 -2.59 -0.19 -0.30 0.64 7.99 0.81 -0.54 117.00 122.80 3rpb n LEU 620 Ca -0.25 0.91 -0.05 0.00 -0.01 0.00 0.00 56.01 56.61 3rpb n LEU 620 Cb 0.99 -0.34 -0.03 0.00 -0.11 0.00 0.00 43.42 43.93 3rpb n LEU 620 CO 0.40 -0.56 0.39 0.00 -1.51 0.00 0.00 177.39 176.11 3rpb n ALA 621 N -2.93 -0.33 0.30 -1.18 0.00 -1.24 0.30 120.51 115.44 3rpb n ALA 621 Ca 0.00 0.67 0.19 0.00 0.00 0.00 0.00 53.44 54.31 3rpb n ALA 621 Cb 0.05 -0.19 0.98 0.00 0.00 0.00 0.00 19.45 20.28 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 -7.21 0.00 6.56 -1.11 -2.61 116.57 112.21 3rpb h LYS 622 Ca 0.17 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 59.33 3rpb h LYS 622 Cb 0.36 0.00 0.20 0.00 -0.57 0.00 0.00 32.23 32.21 3rpb h LYS 622 CO -0.71 0.00 0.05 0.15 -2.06 0.00 0.00 179.45 176.88 3rpb s LYS 623 N -3.91 -0.81 -0.28 3.15 -0.14 0.89 -4.74 119.74 113.91 3rpb s LYS 623 Ca -0.03 0.61 0.01 0.00 -1.36 0.00 0.00 55.97 55.20 3rpb s LYS 623 Cb 0.11 -1.58 0.15 0.00 -1.68 0.00 0.00 37.83 34.83 3rpb s LYS 623 CO 0.39 -3.59 0.39 -1.54 -0.76 0.00 0.00 175.35 170.25 3rpb s SER 624 N -2.90 0.42 -0.18 2.83 1.04 -1.07 -3.58 113.70 110.25 3rpb s SER 624 Ca 0.68 -0.23 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 3rpb s SER 624 Cb -0.22 1.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.96 3rpb s SER 624 CO 0.62 -0.34 0.77 -0.22 0.98 0.00 0.00 173.24 175.05 3rpb s LEU 625 N 2.53 4.16 -0.46 2.42 2.96 0.25 -2.09 118.68 128.45 3rpb s LEU 625 Ca 0.11 1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 54.99 3rpb s LEU 625 Cb -0.13 -3.12 0.12 0.00 0.50 0.00 0.00 46.19 43.55 3rpb s LEU 625 CO -0.26 -0.37 0.33 -0.62 -1.32 0.00 0.00 176.35 174.11 3rpb s ASP 626 N 1.19 5.67 -0.59 3.68 2.15 -0.80 0.26 116.67 128.23 3rpb s ASP 626 Ca 0.35 -1.89 -0.20 0.00 0.43 0.00 0.00 52.55 51.24 3rpb s ASP 626 Cb -0.16 -2.00 0.08 0.00 -0.30 0.00 0.00 42.92 40.54 3rpb s ASP 626 CO 0.11 -0.67 0.77 -0.63 -0.17 0.00 0.00 175.17 174.58 3rpb s ILE 627 N 1.35 4.68 -0.10 4.11 1.09 0.11 -2.77 121.20 129.67 3rpb s ILE 627 Ca 0.06 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 3rpb s ILE 627 Cb -0.26 -4.51 -0.01 0.00 -1.06 0.00 0.00 42.46 36.62 3rpb s ILE 627 CO -0.01 -1.15 -0.17 -0.44 -0.10 0.00 0.00 174.94 173.07 3rpb s SER 628 N 3.43 3.72 -0.22 3.58 0.01 0.25 0.14 113.70 124.61 3rpb s SER 628 Ca 0.16 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 3rpb s SER 628 Cb -0.21 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 3rpb s SER 628 CO 0.09 0.21 0.11 -0.69 0.41 0.00 0.00 173.24 173.37 3rpb s VAL 629 N 0.07 4.99 0.10 3.43 1.01 0.57 0.38 120.40 130.95 3rpb s VAL 629 Ca -0.07 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.04 3rpb s VAL 629 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3rpb s VAL 629 CO 0.05 0.39 -0.22 0.26 0.00 0.00 0.00 175.10 175.58 3rpb s TRP 630 N 0.88 1.86 -0.42 5.22 0.52 -0.06 -1.00 118.94 125.94 3rpb s TRP 630 Ca 0.06 -0.41 -0.25 0.00 0.02 0.00 0.00 56.10 55.51 3rpb s TRP 630 Cb -0.13 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.19 3rpb s TRP 630 CO 0.03 0.21 0.92 0.34 0.02 0.00 0.00 176.95 178.47 3rpb s ASP 631 N -1.88 6.57 0.80 2.95 2.15 0.72 -0.74 116.67 127.24 3rpb s ASP 631 Ca 0.07 0.30 -0.11 0.00 0.43 0.00 0.00 52.55 53.24 3rpb s ASP 631 Cb -0.10 -2.45 0.07 0.00 -0.30 0.00 0.00 42.92 40.14 3rpb s ASP 631 CO 0.04 -0.96 1.10 -0.47 -0.17 0.00 0.00 175.17 174.71 3rpb s TYR 632 N 3.61 2.79 -0.28 -5.34 6.14 0.66 0.61 117.35 125.54 3rpb s TYR 632 Ca 0.37 1.17 -0.15 0.00 0.64 0.00 0.00 57.07 59.10 3rpb s TYR 632 Cb -0.11 -3.12 0.09 0.00 0.42 0.00 0.00 41.96 39.24 3rpb s TYR 632 CO 0.23 -1.81 0.68 -0.51 0.64 0.00 0.00 175.55 174.78 3rpb s ASP 633 N -3.86 -1.00 0.18 4.32 1.01 -1.24 -4.12 116.67 111.96 3rpb s ASP 633 Ca 0.61 1.53 -0.30 0.00 0.71 0.00 0.00 52.55 55.10 3rpb s ASP 633 Cb -0.15 1.61 -0.07 0.00 1.01 0.00 0.00 42.92 45.32 3rpb s ASP 633 CO 0.54 -0.23 0.98 0.27 0.21 0.00 0.00 175.17 176.94 3rpb s ILE 634 N 1.94 4.19 0.00 0.77 -0.00 -1.26 -3.27 121.20 123.57 3rpb s ILE 634 Ca -0.09 1.99 0.00 0.00 -0.00 0.00 0.00 60.65 62.55 3rpb s ILE 634 Cb -0.07 -4.27 0.00 0.00 -0.00 0.00 0.00 42.46 38.12 3rpb s ILE 634 CO -0.20 0.39 0.00 0.61 -0.00 0.00 0.00 174.94 175.74 3rpb n GLY 635 N 1.86 0.82 1.21 6.27 0.00 -1.26 -4.93 105.19 109.17 3rpb n GLY 635 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.25 -0.00 1.61 4.76 -1.20 -5.17 118.16 116.40 3rpb n LYS 636 Ca 0.00 -1.26 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 3rpb n LYS 636 Cb 0.00 0.98 0.00 0.00 -1.84 0.00 0.00 35.03 34.17 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3rpb n SER 637 N -2.41 0.00 -4.94 4.39 3.41 -1.26 -4.68 113.62 108.13 3rpb n SER 637 Ca 0.02 -0.99 -0.23 0.00 -0.26 0.00 0.00 58.87 57.41 3rpb n SER 637 Cb 0.23 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.00 4.90 0.02 4.04 2.20 -1.26 -3.73 114.94 120.11 3rpb s ASN 638 Ca 0.00 -0.98 0.02 0.00 -0.94 0.00 0.00 52.86 50.96 3rpb s ASN 638 Cb 0.00 0.11 -0.02 0.00 -2.00 0.00 0.00 41.25 39.34 3rpb s ASN 638 CO 0.00 -1.05 -0.07 -1.81 -2.94 0.00 0.00 177.10 171.22 3rpb s ASP 639 N -4.36 0.82 -0.44 3.54 1.01 0.20 -4.94 116.67 112.50 3rpb s ASP 639 Ca 0.46 -0.36 -0.22 0.00 0.71 0.00 0.00 52.55 53.14 3rpb s ASP 639 Cb -0.04 -0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.90 3rpb s ASP 639 CO 0.28 -0.08 0.74 -0.47 0.21 0.00 0.00 175.17 175.85 3rpb s TYR 640 N -0.84 3.02 -0.08 4.23 6.14 -1.26 0.26 117.35 128.81 3rpb s TYR 640 Ca -0.04 0.10 -0.06 0.00 0.64 0.00 0.00 57.07 57.70 3rpb s TYR 640 Cb -0.07 -3.56 -0.27 0.00 0.42 0.00 0.00 41.96 38.48 3rpb s TYR 640 CO 0.00 -0.95 0.52 0.82 0.64 0.00 0.00 175.55 176.59 3rpb h ILE 641 N 5.94 0.78 0.00 3.14 2.04 -1.62 -3.46 117.51 124.34 3rpb h ILE 641 Ca -0.25 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.15 3rpb h ILE 641 Cb 1.09 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3rpb h ILE 641 CO 0.94 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.55 3rpb n GLY 642 N 1.89 2.97 0.00 5.37 0.00 -0.17 -4.82 105.19 110.43 3rpb n GLY 642 Ca -0.27 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.32 1.63 3.59 -0.02 0.00 0.46 0.21 105.19 109.73 3rpb n GLY 643 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.73 3.17 -0.39 0.00 -2.07 -1.26 0.05 119.66 118.43 3rpb s GLN 645 Ca -0.01 -0.56 0.04 0.00 -1.82 0.00 0.00 55.36 53.02 3rpb s GLN 645 Cb -0.02 -2.64 0.16 0.00 -1.09 0.00 0.00 33.01 29.43 3rpb s GLN 645 CO -0.01 -0.11 0.45 -0.51 -1.32 0.00 0.00 175.29 173.79 3rpb s LEU 646 N -4.42 -0.30 0.01 2.60 1.43 0.74 -4.80 118.68 113.95 3rpb s LEU 646 Ca 0.46 -1.60 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3rpb s LEU 646 Cb -0.10 0.83 -0.01 0.00 0.03 0.00 0.00 46.19 46.94 3rpb s LEU 646 CO 0.36 -0.22 -0.03 -0.83 0.23 0.00 0.00 176.35 175.86 3rpb s GLY 647 N 1.32 0.20 0.39 -3.19 0.00 -1.25 -0.58 107.32 104.20 3rpb s GLY 647 Ca 0.19 -0.34 0.22 0.00 0.00 0.00 0.00 44.72 44.79 3rpb s GLY 647 CO -0.05 -0.36 1.63 1.19 0.00 0.00 0.00 173.10 175.51 3rpb h ILE 648 N 4.87 0.00 0.00 0.90 2.10 -1.52 0.39 117.51 124.25 3rpb h ILE 648 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3rpb h ILE 648 Cb 1.21 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3rpb h ILE 648 CO 0.46 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.29 3rpb n SER 649 N -2.32 0.00 -1.95 2.19 2.88 -1.26 -4.80 113.62 108.36 3rpb n SER 649 Ca -0.01 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 3rpb n SER 649 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb n ALA 650 N -0.94 0.00 -3.69 -1.46 0.00 0.14 -5.10 120.51 109.46 3rpb n ALA 650 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 3rpb n ALA 650 Cb 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 3rpb n ALA 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 651 N -1.56 0.29 0.87 0.00 1.02 -1.26 -4.71 119.74 114.39 3rpb s LYS 651 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.62 3rpb s LYS 651 Cb 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 3rpb s LYS 651 CO 0.00 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3rpb n GLY 652 N 4.19 1.03 0.13 -3.33 0.00 -1.26 -4.40 105.19 101.55 3rpb n GLY 652 Ca -0.24 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3rpb n GLY 652 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3rpb h GLU 653 N 0.00 -0.21 -1.25 1.61 5.08 -1.98 0.83 114.58 118.65 3rpb h GLU 653 Ca 0.00 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.75 3rpb h GLU 653 Cb 0.00 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 3rpb h GLU 653 CO 0.00 0.19 0.83 0.00 -1.00 0.00 0.00 179.01 179.04 3rpb h ARG 654 N -0.70 0.16 0.07 2.33 2.47 -1.87 0.39 114.38 117.23 3rpb h ARG 654 Ca -0.02 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 3rpb h ARG 654 Cb 0.50 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3rpb h ARG 654 CO 0.04 0.11 -1.18 1.25 0.56 0.00 0.00 179.97 180.74 3rpb h LEU 655 N 0.17 0.22 0.03 3.04 5.85 -1.75 -3.00 115.31 119.87 3rpb h LEU 655 Ca 0.71 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3rpb h LEU 655 Cb 2.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 43.18 3rpb h LEU 655 CO -0.28 1.50 -0.18 0.07 -0.34 0.00 0.00 178.44 179.21 3rpb h LYS 656 N -0.59 -0.29 0.83 1.25 2.10 0.13 0.27 116.57 120.26 3rpb h LYS 656 Ca -0.28 0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.35 3rpb h LYS 656 Cb 1.53 0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.94 3rpb h LYS 656 CO -0.02 -0.19 -0.40 1.25 -2.00 0.00 0.00 179.45 178.08 3rpb h HIS 657 N -0.30 -1.03 0.00 0.07 2.76 -0.52 -2.60 115.15 113.52 3rpb h HIS 657 Ca 0.05 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3rpb h HIS 657 Cb 0.36 0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3rpb h HIS 657 CO -0.21 -0.63 0.00 1.87 -1.30 0.00 0.00 177.93 177.66 3rpb n TRP 658 N -5.53 0.00 -0.16 5.26 -0.00 -1.13 -2.57 117.44 113.30 3rpb n TRP 658 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.31 3rpb n TRP 658 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.71 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 -0.37 -0.17 -0.43 5.87 4.19 0.93 0.23 117.16 127.41 3rpb n TYR 659 Ca 0.00 0.49 0.36 0.00 3.31 0.00 0.00 57.90 62.06 3rpb n TYR 659 Cb 0.00 -0.47 0.67 0.00 0.49 0.00 0.00 39.34 40.04 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 0.12 -0.78 2.98 4.11 -1.44 1.82 114.58 121.39 3rpb h GLU 660 Ca 0.06 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.51 3rpb h GLU 660 Cb 0.16 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3rpb h GLU 660 CO -0.37 0.08 0.50 0.00 0.07 0.00 0.00 179.01 179.29 3rpb h LEU 662 N 0.98 0.00 0.21 0.00 4.07 0.31 0.74 115.31 121.61 3rpb h LEU 662 Ca 0.31 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.93 3rpb h LEU 662 Cb -0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 3rpb h LEU 662 CO -0.11 0.00 -1.61 0.07 -1.08 0.00 0.00 178.44 175.72 3rpb h LYS 663 N 0.00 0.45 -1.28 1.13 2.10 -0.67 -3.33 116.57 114.96 3rpb h LYS 663 Ca 0.19 -0.78 -0.64 0.00 -2.00 0.00 0.00 60.65 57.42 3rpb h LYS 663 Cb 0.78 0.29 -0.26 0.00 -0.90 0.00 0.00 32.23 32.13 3rpb h LYS 663 CO -0.00 1.37 0.83 0.09 -2.00 0.00 0.00 179.45 179.74 3rpb n ASN 664 N -3.67 7.48 -0.06 7.07 4.13 0.45 -4.76 115.26 125.89 3rpb n ASN 664 Ca -0.21 -3.68 -0.07 0.00 1.68 0.00 0.00 54.58 52.30 3rpb n ASN 664 Cb 1.08 -1.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.25 3rpb n ASN 664 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3rpb h LYS 665 N 2.15 -0.19 0.00 3.52 6.56 -1.05 0.44 116.57 128.00 3rpb h LYS 665 Ca 0.55 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.16 3rpb h LYS 665 Cb 0.68 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 3rpb h LYS 665 CO 1.43 -0.13 0.06 -3.47 -2.06 0.00 0.00 179.45 175.29 3rpb n ASP 666 N -3.95 0.53 -4.86 0.86 -0.08 -1.06 -2.27 116.55 105.72 3rpb n ASP 666 Ca -0.02 0.73 -0.29 0.00 -1.51 0.00 0.00 54.79 53.70 3rpb n ASP 666 Cb 0.16 -0.78 -0.05 0.00 2.34 0.00 0.00 41.12 42.80 3rpb n ASP 666 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3rpb s LYS 667 N -3.52 3.18 0.22 -0.67 1.02 0.16 -5.01 119.74 115.11 3rpb s LYS 667 Ca -0.02 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.25 3rpb s LYS 667 Cb 0.06 -2.87 -0.07 0.00 -0.52 0.00 0.00 37.83 34.43 3rpb s LYS 667 CO 0.19 0.56 0.55 -1.59 -0.92 0.00 0.00 175.35 174.13 3rpb s LYS 668 N -2.68 3.82 -0.05 1.68 -2.85 -1.26 -4.52 119.74 113.88 3rpb s LYS 668 Ca 0.32 0.30 -0.01 0.00 -1.00 0.00 0.00 55.97 55.58 3rpb s LYS 668 Cb -0.12 -2.68 0.03 0.00 -2.06 0.00 0.00 37.83 33.00 3rpb s LYS 668 CO 0.25 0.34 0.03 0.42 0.10 0.00 0.00 175.35 176.49 3rpb s ILE 669 N -1.77 0.15 0.06 3.79 1.01 0.69 -4.99 121.20 120.14 3rpb s ILE 669 Ca 0.46 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.41 3rpb s ILE 669 Cb -0.12 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3rpb s ILE 669 CO 0.21 0.21 -0.15 -1.83 0.00 0.00 0.00 174.94 173.39 3rpb s GLU 670 N 1.96 0.88 0.05 2.79 1.03 -1.26 0.28 118.70 124.43 3rpb s GLU 670 Ca 0.04 -0.91 -0.27 0.00 0.03 0.00 0.00 54.97 53.85 3rpb s GLU 670 Cb -0.12 -0.91 0.09 0.00 -0.80 0.00 0.00 34.13 32.38 3rpb s GLU 670 CO -0.04 0.21 0.90 -0.98 -1.33 0.00 0.00 175.26 174.02 3rpb s ARG 671 N -1.56 0.96 -0.15 -4.83 1.04 -0.63 -4.98 118.95 108.80 3rpb s ARG 671 Ca -0.00 -0.42 -0.13 0.00 -1.04 0.00 0.00 55.73 54.13 3rpb s ARG 671 Cb -0.09 0.40 -0.05 0.00 -2.04 0.00 0.00 34.95 33.17 3rpb s ARG 671 CO 0.02 -0.43 0.29 -1.58 -0.04 0.00 0.00 175.30 173.56 3rpb s TRP 672 N -3.20 3.49 -0.13 5.89 0.52 -1.26 -1.02 118.94 123.23 3rpb s TRP 672 Ca 0.07 0.62 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 3rpb s TRP 672 Cb -0.01 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 3rpb s TRP 672 CO -0.06 0.31 -0.05 -1.01 0.02 0.00 0.00 176.95 176.16 3rpb s HIS 673 N 0.24 2.99 -0.73 -1.98 3.76 -0.64 -4.94 115.29 113.99 3rpb s HIS 673 Ca 0.17 -0.26 -0.27 0.00 -0.15 0.00 0.00 55.06 54.55 3rpb s HIS 673 Cb -0.13 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.69 3rpb s HIS 673 CO 0.04 0.03 1.31 -0.65 -0.85 0.00 0.00 174.74 174.62 3rpb s GLN 674 N 0.11 3.17 -0.00 1.40 -1.52 -1.26 -1.63 119.66 119.92 3rpb s GLN 674 Ca -0.01 -0.18 -0.39 0.00 -1.95 0.00 0.00 55.36 52.83 3rpb s GLN 674 Cb -0.14 -4.18 -0.18 0.00 -0.22 0.00 0.00 33.01 28.29 3rpb s GLN 674 CO 0.03 -2.16 1.28 1.28 -0.25 0.00 0.00 175.29 175.47 3rpb n LEU 675 N 9.51 1.05 -4.70 2.90 4.77 -0.52 -4.83 117.00 125.18 3rpb n LEU 675 Ca 0.04 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.85 3rpb n LEU 675 Cb 0.49 -1.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 3rpb n LEU 675 CO 0.71 -1.32 -0.26 -1.10 -1.33 0.00 0.00 177.39 174.09 3rpb s GLN 676 N 0.65 2.10 -0.46 3.23 -0.21 0.78 -4.64 119.66 121.12 3rpb s GLN 676 Ca 0.89 -2.30 -0.09 0.00 0.02 0.00 0.00 55.36 53.88 3rpb s GLN 676 Cb -1.11 -1.49 0.12 0.00 1.00 0.00 0.00 33.01 31.53 3rpb s GLN 676 CO 0.54 -0.28 0.33 -0.80 -2.12 0.00 0.00 175.29 172.95 3rpb s ASN 677 N -3.81 5.66 0.00 5.90 -0.87 -1.26 -0.41 114.94 120.15 3rpb s ASN 677 Ca 0.15 -1.89 0.00 0.00 -1.57 0.00 0.00 52.86 49.55 3rpb s ASN 677 Cb 0.04 -1.99 0.00 0.00 -0.02 0.00 0.00 41.25 39.28 3rpb s ASN 677 CO 0.08 -0.67 0.37 1.21 -2.57 0.00 0.00 177.10 175.52 3rpb n GLU 678 N 4.88 0.00 0.00 -0.60 0.00 -1.26 -4.72 120.64 118.94 3rpb n GLU 678 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3rpb n GLU 678 Cb 0.41 -0.87 0.00 0.00 0.00 0.00 0.00 31.44 30.98 3rpb n GLU 678 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3rpb n ASN 679 N -0.56 0.00 -0.64 4.31 3.02 -1.26 -5.20 115.26 114.93 3rpb n ASN 679 Ca 0.00 0.04 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 3rpb n ASN 679 Cb 0.00 -0.24 0.07 0.00 -0.61 0.00 0.00 39.78 38.99 3rpb n ASN 679 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05