#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa n PRO 543 N 0.00 0.00 -3.64 1.61 -0.04 -1.26 -4.94 135.00 126.72 2rqa n PRO 543 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2rqa n PRO 543 Cb 0.00 -0.21 0.04 0.00 -0.04 0.00 0.00 33.50 33.29 2rqa n PRO 543 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rqa n HIS 544 N -0.08 -1.97 -1.60 0.54 8.25 -1.26 -4.74 115.22 114.36 2rqa n HIS 544 Ca 0.00 0.79 -0.14 0.00 -0.26 0.00 0.00 57.72 58.11 2rqa n HIS 544 Cb 0.00 -4.27 -0.10 0.00 1.12 0.00 0.00 29.99 26.74 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2rqa s MET 545 N -5.80 1.30 0.77 -0.41 -1.94 -1.26 -4.89 119.30 107.06 2rqa s MET 545 Ca 0.11 -0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 53.82 2rqa s MET 545 Cb -0.03 -4.92 0.06 0.00 2.01 0.00 0.00 34.83 31.95 2rqa s MET 545 CO 0.81 -5.20 1.13 1.14 -0.01 0.00 0.00 175.02 172.89 2rqa s GLN 546 N 8.59 2.24 -0.35 2.03 -2.07 -1.26 -5.08 119.66 123.76 2rqa s GLN 546 Ca 0.85 0.16 0.04 0.00 -1.82 0.00 0.00 55.36 54.59 2rqa s GLN 546 Cb -0.07 -2.00 0.19 0.00 -1.09 0.00 0.00 33.01 30.04 2rqa s GLN 546 CO 0.15 -1.39 0.68 -0.06 -1.32 0.00 0.00 175.29 173.35 2rqa s PHE 547 N -3.47 -1.57 0.16 9.60 0.08 -1.26 -5.02 117.98 116.50 2rqa s PHE 547 Ca 0.61 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.91 2rqa s PHE 547 Cb -0.11 0.28 -0.07 0.00 -0.57 0.00 0.00 43.02 42.55 2rqa s PHE 547 CO 0.49 -0.99 1.12 -1.25 -0.10 0.00 0.00 175.22 174.49 2rqa s PRO 548 N 2.31 4.56 0.31 0.24 0.04 -1.26 -3.88 135.00 137.32 2rqa s PRO 548 Ca 0.15 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2rqa s PRO 548 Cb -0.05 -3.28 0.83 0.00 0.04 0.00 0.00 34.50 32.03 2rqa s PRO 548 CO -0.16 0.01 1.71 -0.39 0.04 0.00 0.00 177.00 178.20 2rqa h VAL 549 N 3.83 0.48 -0.76 -0.36 -1.51 -1.86 1.13 116.25 117.20 2rqa h VAL 549 Ca -0.44 -0.16 0.10 0.00 -1.23 0.00 0.00 66.70 64.97 2rqa h VAL 549 Cb 1.21 -0.02 -0.05 0.00 -2.13 0.00 0.00 31.29 30.30 2rqa h VAL 549 CO 0.74 0.08 0.50 1.05 -1.23 0.00 0.00 177.57 178.71 2rqa h GLU 550 N 0.46 0.63 0.00 5.19 4.11 -1.91 0.12 114.58 123.19 2rqa h GLU 550 Ca 0.61 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.86 2rqa h GLU 550 Cb 1.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2rqa h GLU 550 CO -0.52 0.42 -0.84 0.45 0.07 0.00 0.00 179.01 178.59 2rqa h HIS 551 N 0.65 0.00 -3.37 2.06 3.86 0.76 -3.44 115.15 115.67 2rqa h HIS 551 Ca 0.36 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.97 2rqa h HIS 551 Cb 0.51 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.88 2rqa h HIS 551 CO -0.00 0.60 0.31 0.08 0.86 0.00 0.00 177.93 179.78 2rqa s VAL 552 N -2.91 4.92 -0.01 2.45 1.01 0.96 -4.32 120.40 122.50 2rqa s VAL 552 Ca 0.02 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2rqa s VAL 552 Cb 0.08 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2rqa s VAL 552 CO 0.78 -0.01 -0.10 -1.58 0.00 0.00 0.00 175.10 174.19 2rqa s GLN 553 N 2.56 2.50 -0.38 2.72 0.74 -1.20 -0.12 119.66 126.48 2rqa s GLN 553 Ca 0.31 -0.73 -0.26 0.00 0.05 0.00 0.00 55.36 54.72 2rqa s GLN 553 Cb -0.15 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.53 2rqa s GLN 553 CO 0.08 0.61 0.96 -0.51 -0.55 0.00 0.00 175.29 175.88 2rqa s LEU 554 N -1.20 3.95 0.41 3.68 1.43 -0.60 -3.19 118.68 123.16 2rqa s LEU 554 Ca 0.15 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2rqa s LEU 554 Cb -0.11 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 2rqa s LEU 554 CO 0.05 -0.91 0.18 -0.76 0.23 0.00 0.00 176.35 175.14 2rqa s LEU 555 N 3.61 1.93 -0.40 1.79 1.02 -0.57 0.52 118.68 126.57 2rqa s LEU 555 Ca 0.40 -1.75 -0.08 0.00 0.02 0.00 0.00 54.13 52.72 2rqa s LEU 555 Cb -0.11 0.11 0.08 0.00 0.02 0.00 0.00 46.19 46.28 2rqa s LEU 555 CO 0.20 -1.02 0.23 0.00 0.02 0.00 0.00 176.35 175.78 2rqa n ILE 557 N 4.86 -0.11 -0.05 0.00 -5.35 -1.13 0.23 119.36 117.82 2rqa n ILE 557 Ca -0.10 1.47 -0.18 0.00 -0.27 0.00 0.00 62.75 63.68 2rqa n ILE 557 Cb 0.43 -2.43 -0.13 0.00 -1.74 0.00 0.00 39.64 35.77 2rqa n ILE 557 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2rqa h ASN 558 N 0.00 0.12 -2.16 7.28 4.21 -1.92 -3.40 115.58 119.71 2rqa h ASN 558 Ca 0.82 -0.85 -0.59 0.00 1.21 0.00 0.00 56.30 56.89 2rqa h ASN 558 Cb 3.00 -0.04 -0.42 0.00 -1.12 0.00 0.00 38.32 39.74 2rqa h ASN 558 CO -0.21 1.27 -0.68 0.00 -1.29 0.00 0.00 177.43 176.53 2rqa n MET 560 N 0.94 0.48 -0.04 0.00 2.81 0.55 -3.15 117.12 118.71 2rqa n MET 560 Ca 0.28 -1.35 0.04 0.00 -1.81 0.00 0.00 57.70 54.87 2rqa n MET 560 Cb 0.43 -2.78 0.06 0.00 -0.71 0.00 0.00 33.22 30.22 2rqa n MET 560 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2rqa n VAL 561 N 6.93 0.29 -1.54 2.03 0.24 -1.26 -4.84 118.33 120.18 2rqa n VAL 561 Ca 0.47 -0.64 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 2rqa n VAL 561 Cb 0.42 0.99 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 2rqa n VAL 561 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rqa n ALA 562 N 0.45 -2.96 0.78 2.33 0.00 -1.26 -4.97 120.51 114.88 2rqa n ALA 562 Ca 0.06 0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.94 2rqa n ALA 562 Cb 0.27 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 2rqa n ALA 562 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rqa n VAL 563 N 0.43 0.00 -2.99 0.00 0.24 0.18 -4.93 118.33 111.26 2rqa n VAL 563 Ca -0.05 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2rqa n VAL 563 Cb 0.08 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2rqa n VAL 563 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rqa n GLY 564 N 1.32 1.06 3.22 7.63 0.00 -0.06 -4.68 105.19 113.69 2rqa n GLY 564 Ca 0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -2.40 1.59 -1.09 1.61 3.76 -1.26 -1.55 115.29 115.95 2rqa s HIS 565 Ca 0.00 -0.39 0.19 0.00 -0.15 0.00 0.00 55.06 54.71 2rqa s HIS 565 Cb 0.00 -0.92 0.84 0.00 1.11 0.00 0.00 32.58 33.61 2rqa s HIS 565 CO 0.00 0.10 1.60 0.41 -0.85 0.00 0.00 174.74 176.01 2rqa n GLY 566 N 1.62 -1.10 0.78 -2.22 0.00 0.82 -1.86 105.19 103.23 2rqa n GLY 566 Ca -0.18 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqa n SER 567 N -1.46 3.16 -0.03 1.61 2.88 -1.22 -4.34 113.62 114.22 2rqa n SER 567 Ca 0.06 -2.05 -0.01 0.00 -1.33 0.00 0.00 58.87 55.53 2rqa n SER 567 Cb 0.21 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 2rqa n SER 567 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqa n ASP 568 N 0.66 2.85 -4.86 -3.46 2.03 -0.77 -5.00 116.55 107.99 2rqa n ASP 568 Ca 0.14 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.15 2rqa n ASP 568 Cb 0.48 0.95 0.07 0.00 -0.72 0.00 0.00 41.12 41.90 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2rqa s LEU 569 N -4.32 2.72 -0.08 -2.67 0.05 -1.13 -4.00 118.68 109.26 2rqa s LEU 569 Ca -0.04 1.11 -0.30 0.00 0.05 0.00 0.00 54.13 54.95 2rqa s LEU 569 Cb 0.04 -3.79 0.09 0.00 -2.05 0.00 0.00 46.19 40.48 2rqa s LEU 569 CO 0.37 -1.64 0.81 -0.13 -0.55 0.00 0.00 176.35 175.20 2rqa s ARG 570 N -5.34 0.88 0.68 1.48 0.52 -1.11 -4.65 118.95 111.41 2rqa s ARG 570 Ca 0.60 0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.82 2rqa s ARG 570 Cb -0.12 0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.77 2rqa s ARG 570 CO 0.52 -0.29 1.06 0.21 0.02 0.00 0.00 175.30 176.82 2rqa s LYS 571 N -1.44 2.96 -0.56 3.54 2.20 0.25 -2.77 119.74 123.91 2rqa s LYS 571 Ca -0.06 1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 56.42 2rqa s LYS 571 Cb -0.00 -1.99 0.13 0.00 -1.51 0.00 0.00 37.83 34.45 2rqa s LYS 571 CO 0.04 -1.09 0.56 0.08 -0.36 0.00 0.00 175.35 174.59 2rqa s VAL 572 N -2.90 5.12 -0.56 4.02 1.01 -0.14 0.20 120.40 127.15 2rqa s VAL 572 Ca 0.60 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2rqa s VAL 572 Cb -0.15 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2rqa s VAL 572 CO 0.51 -0.94 0.00 -1.84 0.00 0.00 0.00 175.10 172.83 2rqa n GLU 573 N 5.51 -1.96 -2.70 2.72 0.28 -1.26 0.15 120.64 123.38 2rqa n GLU 573 Ca -0.12 0.32 -0.05 0.00 -0.16 0.00 0.00 57.16 57.14 2rqa n GLU 573 Cb 0.41 -4.67 0.02 0.00 1.43 0.00 0.00 31.44 28.63 2rqa n GLU 573 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqa n GLY 574 N -0.41 0.58 0.35 -1.84 0.00 -1.26 -4.99 105.19 97.61 2rqa n GLY 574 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2rqa n GLY 574 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2rqa n THR 575 N -2.92 0.00 -4.60 2.61 -1.04 0.41 -5.12 114.28 103.61 2rqa n THR 575 Ca -0.01 0.08 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 2rqa n THR 575 Cb 0.52 -0.91 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 2rqa n THR 575 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2rqa s HIS 576 N -0.51 1.85 -0.21 -1.42 3.76 -1.26 -4.90 115.29 112.60 2rqa s HIS 576 Ca 0.00 -1.13 -0.10 0.00 -0.15 0.00 0.00 55.06 53.68 2rqa s HIS 576 Cb 0.00 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 2rqa s HIS 576 CO 0.00 -0.07 0.12 -1.01 -0.85 0.00 0.00 174.74 172.93 2rqa s HIS 577 N -3.08 3.34 -0.17 1.40 3.76 -1.26 -0.96 115.29 118.31 2rqa s HIS 577 Ca 0.18 0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 55.27 2rqa s HIS 577 Cb 0.03 -2.18 0.07 0.00 1.11 0.00 0.00 32.58 31.61 2rqa s HIS 577 CO 0.11 0.17 0.15 0.14 -0.85 0.00 0.00 174.74 174.45 2rqa s VAL 578 N 0.62 -0.20 -0.46 -0.90 -7.23 -1.11 -3.15 120.40 107.97 2rqa s VAL 578 Ca 0.07 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 59.88 2rqa s VAL 578 Cb -0.12 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2rqa s VAL 578 CO 0.01 -0.20 1.08 0.21 -0.31 0.00 0.00 175.10 175.90 2rqa s ASN 579 N 2.23 6.64 0.19 4.85 3.04 -1.04 -2.76 114.94 128.08 2rqa s ASN 579 Ca 0.04 0.46 -0.30 0.00 0.04 0.00 0.00 52.86 53.10 2rqa s ASN 579 Cb -0.15 -2.53 -0.08 0.00 -1.54 0.00 0.00 41.25 36.95 2rqa s ASN 579 CO -0.10 -1.17 0.97 -0.69 -3.04 0.00 0.00 177.10 173.08 2rqa s VAL 580 N 4.21 4.17 0.00 -5.21 1.01 -1.26 -4.13 120.40 119.19 2rqa s VAL 580 Ca 0.45 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2rqa s VAL 580 Cb -0.08 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2rqa s VAL 580 CO 0.29 0.40 0.00 0.59 0.00 0.00 0.00 175.10 176.38 2rqa n ASN 581 N 2.03 0.00 0.10 3.32 5.03 -1.26 -4.56 115.26 119.92 2rqa n ASN 581 Ca 0.00 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 2rqa n ASN 581 Cb 0.48 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.29 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2rqa h PRO 582 N 0.00 0.05 -0.00 3.52 0.13 -1.95 -2.73 132.00 131.02 2rqa h PRO 582 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2rqa h PRO 582 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2rqa h PRO 582 CO 0.00 0.79 -0.02 0.09 -0.23 0.00 0.00 178.00 178.63 2rqa n ASN 583 N -3.66 0.30 0.08 1.44 5.03 -1.26 -3.38 115.26 113.81 2rqa n ASN 583 Ca -0.01 -0.86 -0.04 0.00 0.87 0.00 0.00 54.58 54.54 2rqa n ASN 583 Cb 0.74 -0.06 0.15 0.00 -1.02 0.00 0.00 39.78 39.59 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2rqa h PHE 584 N 0.44 0.31 0.00 3.10 3.57 -1.76 -2.66 116.94 119.95 2rqa h PHE 584 Ca 0.00 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2rqa h PHE 584 Cb 0.18 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2rqa h PHE 584 CO 0.00 0.73 -0.01 1.03 -2.23 0.00 0.00 178.31 177.84 2rqa h SER 585 N 0.19 0.00 0.81 0.41 0.87 -1.71 0.50 113.55 114.61 2rqa h SER 585 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 585 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2rqa h SER 585 CO 0.08 0.01 -0.47 0.59 -0.53 0.00 0.00 176.83 176.51 2rqa n ASN 586 N -3.62 0.57 -1.15 6.23 3.02 -1.01 -3.38 115.26 115.93 2rqa n ASN 586 Ca -0.03 0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.71 2rqa n ASN 586 Cb 0.09 0.05 0.27 0.00 -0.61 0.00 0.00 39.78 39.58 2rqa n ASN 586 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rqa n TYR 587 N -1.86 0.68 -3.50 3.10 4.01 0.17 -4.85 117.16 114.90 2rqa n TYR 587 Ca 0.05 -0.34 -0.09 0.00 -0.16 0.00 0.00 57.90 57.35 2rqa n TYR 587 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 2rqa n TYR 587 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2rqa s TYR 588 N -1.32 -0.37 -0.07 -0.72 -0.85 -0.98 -1.08 117.35 111.97 2rqa s TYR 588 Ca 0.41 0.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.26 2rqa s TYR 588 Cb 0.23 0.53 0.01 0.00 0.38 0.00 0.00 41.96 43.11 2rqa s TYR 588 CO 0.30 -0.55 -0.14 0.54 -1.52 0.00 0.00 175.55 174.19 2rqa s ASN 589 N -2.35 1.98 0.19 -0.18 2.20 -0.99 -4.69 114.94 111.10 2rqa s ASN 589 Ca 0.04 -0.34 -0.30 0.00 -0.94 0.00 0.00 52.86 51.32 2rqa s ASN 589 Cb -0.01 -0.91 -0.08 0.00 -2.00 0.00 0.00 41.25 38.25 2rqa s ASN 589 CO -0.08 0.04 1.21 -0.69 -2.94 0.00 0.00 177.10 174.64 2rqa s VAL 590 N 0.69 3.53 1.09 3.54 1.01 -1.26 -3.47 120.40 125.52 2rqa s VAL 590 Ca -0.14 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 2rqa s VAL 590 Cb -0.16 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.48 2rqa s VAL 590 CO 0.04 0.21 -0.13 -1.20 0.00 0.00 0.00 175.10 174.02 2rqa n SER 591 N 2.47 -2.60 0.29 3.32 7.64 0.45 -4.90 113.62 120.28 2rqa n SER 591 Ca 0.04 -0.18 -0.16 0.00 1.01 0.00 0.00 58.87 59.59 2rqa n SER 591 Cb 0.44 -0.85 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 2rqa n SER 591 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2rqa h ARG 592 N -2.09 -0.70 -7.04 1.43 2.43 -1.94 -3.44 114.38 103.03 2rqa h ARG 592 Ca -0.46 0.05 -0.56 0.00 -0.81 0.00 0.00 59.98 58.20 2rqa h ARG 592 Cb 1.24 0.16 0.15 0.00 -0.42 0.00 0.00 29.97 31.10 2rqa h ARG 592 CO 0.31 -0.41 0.48 -0.25 -1.51 0.00 0.00 179.97 178.59 2rqa n ASP 593 N -5.35 2.05 0.00 -3.80 8.00 -1.26 -5.00 116.55 111.19 2rqa n ASP 593 Ca -0.12 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.26 2rqa n ASP 593 Cb 0.32 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2rqa n PRO 594 N -1.47 0.00 -4.10 -0.24 -0.04 -1.26 -4.66 135.00 123.23 2rqa n PRO 594 Ca 0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.25 2rqa n PRO 594 Cb 0.47 -0.13 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 2rqa n PRO 594 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rqa s VAL 595 N -0.00 4.49 -0.38 0.52 1.01 -1.15 -3.48 120.40 121.41 2rqa s VAL 595 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2rqa s VAL 595 Cb 0.00 -3.02 0.13 0.00 0.00 0.00 0.00 36.38 33.50 2rqa s VAL 595 CO 0.00 0.46 0.21 -0.69 0.00 0.00 0.00 175.10 175.08 2rqa s VAL 596 N 0.46 0.67 0.03 2.92 1.01 -1.26 -5.08 120.40 119.16 2rqa s VAL 596 Ca 0.01 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.03 2rqa s VAL 596 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2rqa s VAL 596 CO 0.01 -0.91 -0.03 -0.63 0.00 0.00 0.00 175.10 173.53 2rqa s ILE 597 N 0.89 0.20 0.03 2.22 -1.09 -1.26 -5.02 121.20 117.18 2rqa s ILE 597 Ca 0.17 -1.25 -0.21 0.00 -2.23 0.00 0.00 60.65 57.12 2rqa s ILE 597 Cb -0.23 -0.75 -0.15 0.00 -1.58 0.00 0.00 42.46 39.76 2rqa s ILE 597 CO -0.03 -0.67 1.37 -1.13 -1.23 0.00 0.00 174.94 173.25 2rqa h ASN 598 N 4.09 0.28 -3.51 3.58 -1.24 -2.07 -3.43 115.58 113.27 2rqa h ASN 598 Ca -0.33 -0.43 -0.38 0.00 0.71 0.00 0.00 56.30 55.87 2rqa h ASN 598 Cb 1.18 -0.08 -0.33 0.00 0.73 0.00 0.00 38.32 39.82 2rqa h ASN 598 CO 0.50 0.65 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.78 2rqa s LYS 599 N -4.50 0.62 0.45 6.67 2.36 -1.26 -5.15 119.74 118.94 2rqa s LYS 599 Ca -0.14 -0.05 -0.10 0.00 -2.55 0.00 0.00 55.97 53.13 2rqa s LYS 599 Cb 0.05 -0.68 -0.06 0.00 -1.05 0.00 0.00 37.83 36.09 2rqa s LYS 599 CO 0.73 -0.08 0.81 0.08 1.55 0.00 0.00 175.35 178.44 2rqa s VAL 600 N 0.84 4.79 0.36 4.02 1.01 -1.26 -5.08 120.40 125.09 2rqa s VAL 600 Ca -0.10 0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.55 2rqa s VAL 600 Cb -0.13 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2rqa s VAL 600 CO -0.00 -0.67 -0.07 -0.36 0.00 0.00 0.00 175.10 174.00 2rqa s PHE 601 N -2.56 2.43 -0.26 5.22 0.40 -1.26 -5.07 117.98 116.89 2rqa s PHE 601 Ca 0.51 -0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 56.16 2rqa s PHE 601 Cb -0.10 -1.49 -0.11 0.00 0.51 0.00 0.00 43.02 41.83 2rqa s PHE 601 CO 0.37 0.55 -0.33 1.63 0.70 0.00 0.00 175.22 178.13 2rqa n LYS 602 N -0.84 0.55 -0.33 0.44 4.76 -1.26 -4.33 118.16 117.15 2rqa n LYS 602 Ca -0.05 0.24 0.27 0.00 -2.87 0.00 0.00 58.31 55.90 2rqa n LYS 602 Cb 0.64 -1.42 0.50 0.00 -1.84 0.00 0.00 35.03 32.92 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2rqa h ASP 603 N -0.93 0.13 -3.93 4.39 3.32 -2.00 -3.39 116.42 114.01 2rqa h ASP 603 Ca -0.64 0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 2rqa h ASP 603 Cb 1.56 0.32 -0.22 0.00 0.22 0.00 0.00 39.33 41.20 2rqa h ASP 603 CO -0.39 -0.39 0.01 -1.66 -1.72 0.00 0.00 179.24 175.08 2rqa s TRP 604 N -5.66 -0.69 0.23 4.55 1.48 -1.26 -4.83 118.94 112.76 2rqa s TRP 604 Ca -0.10 1.66 -0.04 0.00 -1.06 0.00 0.00 56.10 56.56 2rqa s TRP 604 Cb 0.32 0.24 -0.05 0.00 -1.16 0.00 0.00 33.47 32.83 2rqa s TRP 604 CO 0.78 -0.33 0.47 -1.59 -4.06 0.00 0.00 176.95 172.22 2rqa s LYS 605 N 0.37 3.60 0.00 3.25 -2.85 -1.16 -4.21 119.74 118.74 2rqa s LYS 605 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 2rqa s LYS 605 Cb -0.04 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 2rqa s LYS 605 CO 0.00 0.33 0.00 -0.35 0.10 0.00 0.00 175.35 175.43 2rqa n PRO 606 N -0.63 0.62 0.00 1.78 -0.04 -1.26 -1.45 135.00 134.02 2rqa n PRO 606 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2rqa n PRO 606 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2rqa n PRO 606 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rqa n GLY 607 N 3.75 2.33 3.14 0.55 0.00 0.49 -4.05 105.19 111.39 2rqa n GLY 607 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2rqa n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rqa s GLY 608 N 0.00 0.26 0.12 -0.02 0.00 -1.21 -2.94 107.32 103.53 2rqa s GLY 608 Ca 0.00 -0.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.56 2rqa s GLY 608 CO 0.00 -0.99 1.62 0.14 0.00 0.00 0.00 173.10 173.87 2rqa s VAL 609 N -3.60 2.78 0.23 1.40 1.01 -1.26 0.11 120.40 121.07 2rqa s VAL 609 Ca 0.03 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2rqa s VAL 609 Cb 0.05 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2rqa s VAL 609 CO -0.09 0.02 0.40 -0.63 0.00 0.00 0.00 175.10 174.80 2rqa s ILE 610 N 1.82 5.21 -0.23 2.22 1.01 -0.85 -0.41 121.20 129.96 2rqa s ILE 610 Ca 0.72 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 2rqa s ILE 610 Cb -0.42 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.34 2rqa s ILE 610 CO 0.32 -0.27 0.55 -0.44 0.00 0.00 0.00 174.94 175.09 2rqa s SER 611 N -3.52 -0.73 -0.11 3.58 0.01 -1.23 -2.22 113.70 109.50 2rqa s SER 611 Ca 0.37 1.22 -0.34 0.00 1.31 0.00 0.00 55.95 58.52 2rqa s SER 611 Cb -0.10 1.21 -0.12 0.00 0.21 0.00 0.00 66.02 67.22 2rqa s SER 611 CO 0.30 -0.22 1.90 0.00 0.41 0.00 0.00 173.24 175.63 2rqa h ARG 613 N 9.39 0.00 0.00 0.00 2.43 -1.43 1.58 114.38 126.35 2rqa h ARG 613 Ca -0.48 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2rqa h ARG 613 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2rqa h ARG 613 CO 0.95 0.54 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.99 2rqa h ASN 614 N 0.00 0.00 0.00 -3.80 2.35 -1.88 -3.41 115.58 108.84 2rqa h ASN 614 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2rqa h ASN 614 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2rqa h ASN 614 CO 0.07 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.90 2rqa n GLY 616 N 1.53 0.32 3.38 0.00 0.00 0.54 -4.96 105.19 106.00 2rqa n GLY 616 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 2rqa n GLY 616 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rqa n GLU 617 N 0.00 0.15 -1.63 1.61 4.07 -1.26 -3.86 120.64 119.72 2rqa n GLU 617 Ca 0.00 0.03 -0.44 0.00 -0.06 0.00 0.00 57.16 56.68 2rqa n GLU 617 Cb 0.00 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 29.68 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2rqa n VAL 618 N 7.04 1.72 -0.13 6.31 0.31 -1.26 -2.44 118.33 129.88 2rqa n VAL 618 Ca 0.57 -0.43 -0.25 0.00 -0.01 0.00 0.00 64.34 64.22 2rqa n VAL 618 Cb 0.04 -1.20 -0.11 0.00 -0.91 0.00 0.00 33.84 31.66 2rqa n VAL 618 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2rqa n TRP 619 N 0.64 0.13 0.00 3.52 8.01 -0.94 -4.87 117.44 123.93 2rqa n TRP 619 Ca 0.09 0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.32 2rqa n TRP 619 Cb 0.32 -1.01 0.00 0.00 -2.01 0.00 0.00 31.31 28.61 2rqa n TRP 619 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2rqa n GLY 620 N 1.63 -1.28 3.75 6.99 0.00 -1.23 -3.64 105.19 111.40 2rqa n GLY 620 Ca -0.49 0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2rqa n GLY 620 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqa s LEU 621 N 0.00 -0.16 -0.15 0.99 0.05 -1.15 -2.01 118.68 116.26 2rqa s LEU 621 Ca 0.00 -0.60 -0.08 0.00 0.05 0.00 0.00 54.13 53.51 2rqa s LEU 621 Cb 0.00 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.60 2rqa s LEU 621 CO 0.00 -1.26 0.12 -1.58 -0.55 0.00 0.00 176.35 173.09 2rqa s GLN 622 N -3.92 3.67 -0.04 1.48 0.74 0.31 -0.08 119.66 121.81 2rqa s GLN 622 Ca 0.12 -0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.40 2rqa s GLN 622 Cb -0.04 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 2rqa s GLN 622 CO 0.05 0.60 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.52 2rqa s MET 623 N -0.52 2.22 -0.00 1.67 -1.94 0.59 0.19 119.30 121.51 2rqa s MET 623 Ca 0.12 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2rqa s MET 623 Cb -0.12 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 2rqa s MET 623 CO 0.02 0.38 -0.01 0.42 -0.01 0.00 0.00 175.02 175.83 2rqa s ILE 624 N -0.22 4.10 -0.24 2.53 1.09 -0.53 -0.54 121.20 127.39 2rqa s ILE 624 Ca -0.00 -0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 58.91 2rqa s ILE 624 Cb -0.12 -2.83 0.12 0.00 -1.06 0.00 0.00 42.46 38.57 2rqa s ILE 624 CO 0.02 0.38 0.29 -0.47 -0.10 0.00 0.00 174.94 175.06 2rqa s TYR 625 N -1.08 -0.50 -1.32 3.97 5.04 -0.96 -2.98 117.35 119.53 2rqa s TYR 625 Ca 0.19 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2rqa s TYR 625 Cb -0.11 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.90 2rqa s TYR 625 CO 0.10 -0.75 0.00 1.63 -1.34 0.00 0.00 175.55 175.19 2rqa n LYS 626 N 5.33 -0.95 -1.76 4.97 4.76 -1.26 -2.23 118.16 127.02 2rqa n LYS 626 Ca -0.04 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 2rqa n LYS 626 Cb 0.49 -4.98 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2rqa n SER 627 N -0.23 -1.28 -4.03 4.39 3.41 -1.26 -5.06 113.62 109.56 2rqa n SER 627 Ca -0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.16 2rqa n SER 627 Cb 0.48 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 2rqa n SER 627 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rqa s VAL 628 N -2.54 1.95 -0.63 -3.33 1.01 -0.95 -5.06 120.40 110.85 2rqa s VAL 628 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 61.98 60.26 2rqa s VAL 628 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2rqa s VAL 628 CO 0.00 -0.02 1.75 -0.54 0.00 0.00 0.00 175.10 176.29 2rqa s LYS 629 N 1.21 2.75 -0.26 2.72 -0.14 -1.26 -2.26 119.74 122.51 2rqa s LYS 629 Ca -0.07 0.48 0.01 0.00 -1.36 0.00 0.00 55.97 55.03 2rqa s LYS 629 Cb -0.19 -4.34 0.05 0.00 -1.68 0.00 0.00 37.83 31.66 2rqa s LYS 629 CO -0.06 -2.60 -0.09 -0.51 -0.76 0.00 0.00 175.35 171.34 2rqa s LEU 630 N 8.40 3.37 0.16 3.17 1.43 0.30 -4.68 118.68 130.83 2rqa s LEU 630 Ca 0.62 -1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 2rqa s LEU 630 Cb -0.12 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 2rqa s LEU 630 CO 0.20 -0.18 1.13 -2.16 0.23 0.00 0.00 176.35 175.57 2rqa s PRO 631 N 1.19 4.55 -0.46 1.29 0.04 -1.26 -0.30 135.00 140.05 2rqa s PRO 631 Ca -0.05 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2rqa s PRO 631 Cb -0.19 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.12 2rqa s PRO 631 CO -0.05 -0.01 0.41 0.08 0.04 0.00 0.00 177.00 177.48 2rqa s VAL 632 N 0.02 5.17 0.44 -0.36 1.01 0.88 -2.49 120.40 125.07 2rqa s VAL 632 Ca 0.51 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2rqa s VAL 632 Cb -0.30 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2rqa s VAL 632 CO 0.34 -0.53 0.31 -0.76 0.00 0.00 0.00 175.10 174.46 2rqa s LEU 633 N 1.86 3.15 0.00 3.92 2.01 -1.19 -2.91 118.68 125.52 2rqa s LEU 633 Ca 0.07 -0.97 0.04 0.00 0.01 0.00 0.00 54.13 53.27 2rqa s LEU 633 Cb -0.21 -1.65 0.04 0.00 0.01 0.00 0.00 46.19 44.37 2rqa s LEU 633 CO 0.09 -0.70 0.31 0.29 1.01 0.00 0.00 176.35 177.34 2rqa n LYS 634 N -1.48 0.86 -0.07 1.70 5.02 -1.24 -4.68 118.16 118.28 2rqa n LYS 634 Ca 0.01 -1.22 -0.07 0.00 -2.02 0.00 0.00 58.31 55.01 2rqa n LYS 634 Cb 0.63 -0.08 -0.10 0.00 -0.02 0.00 0.00 35.03 35.46 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2rqa n VAL 635 N -1.47 0.92 1.80 -0.18 3.14 -1.26 -3.95 118.33 117.33 2rqa n VAL 635 Ca 0.06 -0.55 0.15 0.00 -2.96 0.00 0.00 64.34 61.04 2rqa n VAL 635 Cb 0.23 -0.68 0.81 0.00 -1.06 0.00 0.00 33.84 33.14 2rqa n VAL 635 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2rqa n ARG 636 N -2.53 1.10 -0.00 1.45 1.85 -1.23 -2.97 116.66 114.32 2rqa n ARG 636 Ca -0.22 -0.25 0.04 0.00 -1.00 0.00 0.00 57.85 56.42 2rqa n ARG 636 Cb 0.93 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.79 2rqa n ARG 636 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rqa n SER 637 N -0.74 1.29 -4.45 2.89 2.88 -1.26 -4.88 113.62 109.36 2rqa n SER 637 Ca 0.21 -0.46 -0.35 0.00 -1.33 0.00 0.00 58.87 56.95 2rqa n SER 637 Cb 0.19 1.14 -0.13 0.00 -0.75 0.00 0.00 64.21 64.67 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2rqa s MET 638 N -2.10 3.61 -0.01 -1.46 -1.94 -1.16 -2.82 119.30 113.42 2rqa s MET 638 Ca 0.01 -0.53 -0.21 0.00 -1.71 0.00 0.00 55.69 53.25 2rqa s MET 638 Cb 0.06 -3.03 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 2rqa s MET 638 CO 0.36 0.05 0.62 -1.17 -0.01 0.00 0.00 175.02 174.88 2rqa s LEU 639 N 0.89 4.41 -0.57 -0.03 1.98 0.14 -4.72 118.68 120.77 2rqa s LEU 639 Ca 0.00 1.19 -0.09 0.00 -2.89 0.00 0.00 54.13 52.35 2rqa s LEU 639 Cb -0.14 -2.97 0.15 0.00 0.66 0.00 0.00 46.19 43.88 2rqa s LEU 639 CO 0.02 0.07 0.45 -0.76 -1.89 0.00 0.00 176.35 174.24 2rqa s LEU 640 N -0.07 5.84 -0.03 -0.68 1.02 -1.07 -1.51 118.68 122.18 2rqa s LEU 640 Ca 0.32 -2.25 -0.30 0.00 0.02 0.00 0.00 54.13 51.93 2rqa s LEU 640 Cb -0.18 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 2rqa s LEU 640 CO 0.18 -0.61 1.29 -1.61 0.02 0.00 0.00 176.35 175.62 2rqa s GLU 641 N 0.86 4.32 0.11 1.70 2.02 -1.19 -2.44 118.70 124.07 2rqa s GLU 641 Ca 0.10 1.80 0.02 0.00 0.02 0.00 0.00 54.97 56.92 2rqa s GLU 641 Cb -0.22 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2rqa s GLU 641 CO -0.03 -0.51 -0.06 0.95 0.02 0.00 0.00 175.26 175.63 2rqa s THR 642 N 2.30 0.74 -2.00 3.63 -4.23 -1.26 -3.23 115.64 111.59 2rqa s THR 642 Ca 0.59 -1.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.34 2rqa s THR 642 Cb -0.28 -1.73 0.53 0.00 1.34 0.00 0.00 72.50 72.37 2rqa s THR 642 CO 0.24 -0.84 1.56 -0.81 -0.54 0.00 0.00 174.62 174.24 2rqa n PRO 643 N -0.07 0.75 -0.00 3.99 -0.04 -1.26 -1.99 135.00 136.38 2rqa n PRO 643 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2rqa n PRO 643 Cb 0.61 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2rqa n PRO 643 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2rqa n GLN 644 N -0.89 2.98 0.00 0.54 6.02 -1.26 -5.07 117.38 119.70 2rqa n GLN 644 Ca 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2rqa n GLN 644 Cb 0.06 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2rqa n GLN 644 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rqa n GLY 645 N 1.30 3.93 3.34 1.08 0.00 -0.84 -5.09 105.19 108.90 2rqa n GLY 645 Ca 0.02 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 2rqa n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rqa n ARG 646 N -0.54 0.19 -3.78 1.61 1.74 -1.26 -4.26 116.66 110.37 2rqa n ARG 646 Ca 0.00 0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.99 2rqa n ARG 646 Cb 0.00 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 2rqa n ARG 646 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rqa s ILE 647 N -1.93 0.02 -0.39 0.55 1.01 -1.02 -4.94 121.20 114.49 2rqa s ILE 647 Ca 0.60 0.24 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2rqa s ILE 647 Cb -0.38 -0.19 0.11 0.00 0.01 0.00 0.00 42.46 42.02 2rqa s ILE 647 CO 0.64 0.15 0.14 -1.58 0.00 0.00 0.00 174.94 174.29 2rqa s GLN 648 N 1.47 1.32 0.80 2.79 0.74 -1.26 -2.59 119.66 122.94 2rqa s GLN 648 Ca -0.04 -1.83 -0.06 0.00 0.05 0.00 0.00 55.36 53.48 2rqa s GLN 648 Cb -0.13 -2.70 0.16 0.00 1.10 0.00 0.00 33.01 31.43 2rqa s GLN 648 CO -0.03 -1.03 1.11 0.00 -0.55 0.00 0.00 175.29 174.78 2rqa s ALA 649 N 0.74 3.24 -0.05 1.58 0.00 -1.26 -5.03 121.76 120.99 2rqa s ALA 649 Ca 0.13 -1.60 0.09 0.00 0.00 0.00 0.00 51.96 50.59 2rqa s ALA 649 Cb -0.21 -2.23 -0.14 0.00 0.00 0.00 0.00 23.12 20.54 2rqa s ALA 649 CO -0.09 -1.80 0.14 1.63 0.00 0.00 0.00 175.76 175.64 2rqa n LYS 650 N -3.15 1.26 -4.21 0.00 5.02 -1.26 -3.50 118.16 112.32 2rqa n LYS 650 Ca 0.15 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2rqa n LYS 650 Cb 0.60 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rqa s LYS 651 N -2.49 0.95 0.00 1.97 3.01 -1.26 -4.19 119.74 117.73 2rqa s LYS 651 Ca -0.04 -1.40 0.22 0.00 -1.01 0.00 0.00 55.97 53.74 2rqa s LYS 651 Cb 0.05 -0.42 1.09 0.00 -1.01 0.00 0.00 37.83 37.54 2rqa s LYS 651 CO 0.40 0.03 1.70 0.91 0.51 0.00 0.00 175.35 178.90 2rqa n TRP 652 N -0.13 0.00 0.35 3.18 7.02 -1.26 -2.30 117.44 124.31 2rqa n TRP 652 Ca -0.11 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.51 2rqa n TRP 652 Cb 0.61 -0.29 0.57 0.00 -2.42 0.00 0.00 31.31 29.77 2rqa n TRP 652 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rqa h SER 653 N 0.00 0.00 0.00 -0.99 0.87 -2.02 -2.19 113.55 109.22 2rqa h SER 653 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 653 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2rqa h SER 653 CO 0.00 0.00 -1.49 0.54 -0.53 0.00 0.00 176.83 175.35 2rqa n ARG 654 N -2.61 0.42 -1.57 2.24 5.12 -0.97 -4.97 116.66 114.32 2rqa n ARG 654 Ca 0.02 -0.10 -0.65 0.00 -1.93 0.00 0.00 57.85 55.18 2rqa n ARG 654 Cb 0.27 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 29.98 2rqa n ARG 654 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rqa n VAL 655 N -1.87 0.00 0.01 1.55 0.31 -0.83 -4.81 118.33 112.69 2rqa n VAL 655 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2rqa n VAL 655 Cb 0.44 -0.50 -0.09 0.00 -0.91 0.00 0.00 33.84 32.78 2rqa n VAL 655 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2rqa h PRO 656 N 6.40 0.70 -7.23 5.55 0.13 -1.92 -3.45 132.00 132.17 2rqa h PRO 656 Ca -0.32 -0.68 -0.49 0.00 -0.87 0.00 0.00 66.00 63.63 2rqa h PRO 656 Cb 1.39 0.18 0.07 0.00 0.13 0.00 0.00 31.00 32.76 2rqa h PRO 656 CO 1.02 1.27 0.38 -0.59 -0.23 0.00 0.00 178.00 179.85 2rqa s PHE 657 N -3.46 3.07 0.24 1.56 -0.71 -1.25 -4.64 117.98 112.79 2rqa s PHE 657 Ca -0.10 1.48 -0.27 0.00 -1.04 0.00 0.00 56.93 57.00 2rqa s PHE 657 Cb 0.07 -2.95 -0.09 0.00 -1.21 0.00 0.00 43.02 38.84 2rqa s PHE 657 CO 0.90 -1.06 0.88 -1.12 -1.34 0.00 0.00 175.22 173.49 2rqa s SER 658 N -3.06 7.45 -0.37 1.98 0.01 -1.26 -5.00 113.70 113.44 2rqa s SER 658 Ca 0.62 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.68 2rqa s SER 658 Cb -0.15 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.64 2rqa s SER 658 CO 0.41 0.10 0.16 -0.69 0.41 0.00 0.00 173.24 173.62 2rqa s VAL 659 N -1.32 1.27 0.44 3.43 1.01 -1.26 -4.86 120.40 119.11 2rqa s VAL 659 Ca 0.42 -2.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.14 2rqa s VAL 659 Cb -0.22 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2rqa s VAL 659 CO 0.27 -0.77 1.05 -2.16 0.00 0.00 0.00 175.10 173.49 2rqa s PRO 660 N 0.95 3.99 0.70 2.72 0.04 -1.26 -4.23 135.00 137.91 2rqa s PRO 660 Ca 0.14 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2rqa s PRO 660 Cb -0.21 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.01 2rqa s PRO 660 CO -0.11 -0.28 1.07 -0.51 0.04 0.00 0.00 177.00 177.21 2rqa s ASP 661 N -1.75 5.17 -0.09 6.66 -0.00 -1.26 0.85 116.67 126.24 2rqa s ASP 661 Ca 0.62 1.73 -0.30 0.00 -0.00 0.00 0.00 52.55 54.61 2rqa s ASP 661 Cb -0.19 -2.51 -0.03 0.00 -0.00 0.00 0.00 42.92 40.18 2rqa s ASP 661 CO 0.24 -1.59 1.34 0.12 -0.00 0.00 0.00 175.17 175.28 2rqa s PHE 662 N -2.87 2.78 -0.36 4.23 2.19 0.54 -4.69 117.98 119.79 2rqa s PHE 662 Ca 0.60 0.88 0.04 0.00 0.33 0.00 0.00 56.93 58.78 2rqa s PHE 662 Cb -0.16 -3.58 0.10 0.00 -1.31 0.00 0.00 43.02 38.07 2rqa s PHE 662 CO 0.52 -2.11 0.08 -0.51 1.83 0.00 0.00 175.22 175.02 2rqa s ASP 663 N 2.07 4.67 0.36 6.13 1.11 -1.26 -4.35 116.67 125.40 2rqa s ASP 663 Ca 0.60 -2.25 0.24 0.00 0.18 0.00 0.00 52.55 51.32 2rqa s ASP 663 Cb -0.26 -1.59 1.26 0.00 1.07 0.00 0.00 42.92 43.40 2rqa s ASP 663 CO 0.21 -0.36 1.39 0.33 1.18 0.00 0.00 175.17 177.91 2rqa n PHE 664 N 4.13 0.81 0.20 4.23 7.35 -1.26 0.18 117.46 133.10 2rqa n PHE 664 Ca 0.04 0.82 -0.15 0.00 -0.76 0.00 0.00 57.45 57.40 2rqa n PHE 664 Cb 0.41 -1.24 -0.08 0.00 0.35 0.00 0.00 39.48 38.92 2rqa n PHE 664 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2rqa h LEU 665 N 0.00 -0.39 0.54 -2.13 3.38 -1.97 0.16 115.31 114.90 2rqa h LEU 665 Ca 0.77 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.71 2rqa h LEU 665 Cb 2.27 0.10 0.01 0.00 0.09 0.00 0.00 40.66 43.12 2rqa h LEU 665 CO -0.54 -0.26 -0.26 -0.61 0.09 0.00 0.00 178.44 176.87 2rqa h GLN 666 N -0.48 -0.70 -0.78 1.13 5.75 0.15 0.11 115.11 120.29 2rqa h GLN 666 Ca -0.05 0.05 0.23 0.00 -0.15 0.00 0.00 58.65 58.73 2rqa h GLN 666 Cb 0.36 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 2rqa h GLN 666 CO 0.08 -0.47 0.84 1.25 -2.65 0.00 0.00 178.83 177.88 2rqa h HIS 667 N -1.12 0.00 0.15 3.99 2.76 -0.28 1.67 115.15 122.33 2rqa h HIS 667 Ca -0.07 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.84 2rqa h HIS 667 Cb 0.56 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.53 2rqa h HIS 667 CO 0.01 0.00 -1.22 0.00 -1.30 0.00 0.00 177.93 175.42 2rqa n ALA 669 N -2.81 1.70 0.11 0.00 0.00 0.49 0.00 120.51 120.00 2rqa n ALA 669 Ca -0.20 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.28 2rqa n ALA 669 Cb 0.91 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 19.08 2rqa n ALA 669 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rqa h GLU 670 N 0.00 0.00 0.00 0.00 5.08 0.79 0.21 114.58 120.66 2rqa h GLU 670 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2rqa h GLU 670 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2rqa h GLU 670 CO 0.00 0.26 -2.28 0.09 -1.00 0.00 0.00 179.01 176.08 2rqa n ASN 671 N -3.00 0.58 -0.09 1.42 3.02 -0.66 -4.70 115.26 111.83 2rqa n ASN 671 Ca -0.01 -0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.41 2rqa n ASN 671 Cb 0.70 0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 40.67 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2rqa n LEU 672 N -2.73 1.91 -1.22 3.41 4.77 0.10 -4.98 117.00 118.27 2rqa n LEU 672 Ca -0.31 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2rqa n LEU 672 Cb 1.09 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2rqa n LEU 672 CO 0.38 -0.18 -0.15 -1.20 -1.33 0.00 0.00 177.39 174.92 2rqa n SER 673 N -4.47 -4.82 0.14 -1.43 7.64 0.75 -4.83 113.62 106.60 2rqa n SER 673 Ca -0.19 0.35 0.12 0.00 1.01 0.00 0.00 58.87 60.16 2rqa n SER 673 Cb 0.52 -3.69 0.48 0.00 -1.01 0.00 0.00 64.21 60.52 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2rqa h ASP 674 N 0.00 0.00 0.00 6.43 1.82 -1.90 -3.28 116.42 119.49 2rqa h ASP 674 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2rqa h ASP 674 Cb 1.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2rqa h ASP 674 CO 0.46 0.00 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.96 2rqa h LEU 675 N 0.00 0.00 -7.00 2.28 -0.00 -1.89 -3.50 115.31 105.20 2rqa h LEU 675 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2rqa h LEU 675 Cb 0.45 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 40.90 2rqa h LEU 675 CO 0.00 0.16 0.50 -0.44 -0.00 0.00 0.00 178.44 178.65 2rqa s SER 676 N -3.83 -0.40 -0.16 -0.43 0.01 -1.24 -5.08 113.70 102.57 2rqa s SER 676 Ca -0.02 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.45 2rqa s SER 676 Cb 0.00 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.48 2rqa s SER 676 CO 0.02 -0.43 0.07 -0.07 0.41 0.00 0.00 173.24 173.24 2rqa h LEU 677 N 2.49 0.00 0.00 2.44 4.07 -1.93 -3.46 115.31 118.92 2rqa h LEU 677 Ca -0.20 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2rqa h LEU 677 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2rqa h LEU 677 CO 0.32 0.99 0.00 -0.67 -1.08 0.00 0.00 178.44 178.00