#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa s PRO 543 N 0.00 4.33 -0.06 1.61 0.04 -1.26 -4.95 135.00 134.71 2rqa s PRO 543 Ca 0.00 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.74 2rqa s PRO 543 Cb 0.00 -2.77 0.13 0.00 0.04 0.00 0.00 34.50 31.90 2rqa s PRO 543 CO 0.00 -0.01 1.02 0.72 0.04 0.00 0.00 177.00 178.77 2rqa n HIS 544 N 0.38 0.00 -3.67 0.56 8.25 -1.26 -4.98 115.22 114.50 2rqa n HIS 544 Ca 0.03 -0.57 -0.28 0.00 -0.26 0.00 0.00 57.72 56.64 2rqa n HIS 544 Cb 0.48 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.50 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rqa n MET 545 N -0.77 -4.18 -4.42 -0.41 2.81 -1.26 -4.95 117.12 103.94 2rqa n MET 545 Ca 0.07 0.53 -0.24 0.00 -1.81 0.00 0.00 57.70 56.25 2rqa n MET 545 Cb 0.56 -5.32 -0.09 0.00 -0.71 0.00 0.00 33.22 27.66 2rqa n MET 545 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2rqa s GLN 546 N -6.36 1.82 -0.33 0.03 -0.21 -1.26 -5.12 119.66 108.23 2rqa s GLN 546 Ca 0.55 -1.65 0.05 0.00 0.02 0.00 0.00 55.36 54.32 2rqa s GLN 546 Cb -0.28 -1.88 0.18 0.00 1.00 0.00 0.00 33.01 32.03 2rqa s GLN 546 CO 0.67 0.35 0.53 -0.06 -2.12 0.00 0.00 175.29 174.65 2rqa s PHE 547 N -2.37 -1.42 0.31 0.91 0.40 -1.26 -4.92 117.98 109.63 2rqa s PHE 547 Ca 0.29 0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 56.78 2rqa s PHE 547 Cb -0.06 0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.48 2rqa s PHE 547 CO 0.16 -1.07 1.08 -1.25 0.70 0.00 0.00 175.22 174.83 2rqa s PRO 548 N 2.34 4.54 0.22 0.24 0.04 -1.26 -4.04 135.00 137.06 2rqa s PRO 548 Ca 0.12 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 2rqa s PRO 548 Cb -0.10 -3.04 0.32 0.00 0.04 0.00 0.00 34.50 31.73 2rqa s PRO 548 CO -0.20 0.15 1.73 -0.39 0.04 0.00 0.00 177.00 178.33 2rqa h VAL 549 N 2.88 0.70 -0.23 -0.36 -1.51 -1.90 0.78 116.25 116.61 2rqa h VAL 549 Ca -0.47 -0.12 0.07 0.00 -1.23 0.00 0.00 66.70 64.94 2rqa h VAL 549 Cb 1.21 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2rqa h VAL 549 CO 0.66 0.07 0.30 1.05 -1.23 0.00 0.00 177.57 178.42 2rqa h GLU 550 N 0.36 0.00 0.00 5.19 4.11 -1.92 0.45 114.58 122.77 2rqa h GLU 550 Ca 0.33 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.67 2rqa h GLU 550 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2rqa h GLU 550 CO -0.36 0.00 -1.80 0.72 0.07 0.00 0.00 179.01 177.63 2rqa n HIS 551 N -3.61 0.33 -2.98 2.06 8.25 0.21 -4.81 115.22 114.67 2rqa n HIS 551 Ca 0.03 0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2rqa n HIS 551 Cb 0.43 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 30.72 2rqa n HIS 551 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rqa s VAL 552 N -3.21 4.66 0.48 1.59 1.01 0.20 -4.59 120.40 120.54 2rqa s VAL 552 Ca -0.06 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2rqa s VAL 552 Cb 0.11 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2rqa s VAL 552 CO 0.86 -0.74 0.66 -1.58 0.00 0.00 0.00 175.10 174.29 2rqa s GLN 553 N 3.24 2.71 -0.36 2.72 0.74 -1.25 0.25 119.66 127.71 2rqa s GLN 553 Ca 0.28 -1.03 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 2rqa s GLN 553 Cb -0.13 -2.64 0.06 0.00 1.10 0.00 0.00 33.01 31.40 2rqa s GLN 553 CO 0.21 -0.46 0.14 -0.51 -0.55 0.00 0.00 175.29 174.12 2rqa s LEU 554 N -4.53 4.61 0.38 3.68 1.43 -0.95 -3.73 118.68 119.57 2rqa s LEU 554 Ca 0.56 -1.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 2rqa s LEU 554 Cb -0.10 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 2rqa s LEU 554 CO 0.35 -0.40 0.03 -0.76 0.23 0.00 0.00 176.35 175.80 2rqa s LEU 555 N 1.32 2.52 -0.47 1.79 1.02 -1.04 0.74 118.68 124.57 2rqa s LEU 555 Ca 0.01 -1.41 -0.17 0.00 0.02 0.00 0.00 54.13 52.58 2rqa s LEU 555 Cb -0.21 -0.65 0.06 0.00 0.02 0.00 0.00 46.19 45.41 2rqa s LEU 555 CO 0.00 -0.56 0.47 0.00 0.02 0.00 0.00 176.35 176.28 2rqa n ILE 557 N 5.36 -0.12 -0.07 0.00 -5.35 -1.11 0.23 119.36 118.31 2rqa n ILE 557 Ca -0.10 1.42 -0.18 0.00 -0.27 0.00 0.00 62.75 63.63 2rqa n ILE 557 Cb 0.45 -2.35 -0.13 0.00 -1.74 0.00 0.00 39.64 35.87 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 0.07 -2.20 7.28 4.21 -1.91 -3.40 115.58 119.62 2rqa h ASN 558 Ca 0.78 -0.83 -0.59 0.00 1.21 0.00 0.00 56.30 56.87 2rqa h ASN 558 Cb 2.82 -0.02 -0.42 0.00 -1.12 0.00 0.00 38.32 39.58 2rqa h ASN 558 CO -0.22 1.24 -0.67 0.00 -1.29 0.00 0.00 177.43 176.49 2rqa n MET 560 N 0.99 0.26 0.00 0.00 2.81 0.54 -3.04 117.12 118.68 2rqa n MET 560 Ca 0.28 -1.31 0.05 0.00 -1.81 0.00 0.00 57.70 54.90 2rqa n MET 560 Cb 0.43 -2.91 -0.04 0.00 -0.71 0.00 0.00 33.22 29.98 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 7.38 0.00 -1.02 2.03 0.24 -1.26 -4.82 118.33 120.87 2rqa n VAL 561 Ca 0.46 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2rqa n VAL 561 Cb 0.43 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.98 -2.72 0.69 2.33 0.00 -1.26 -4.98 120.51 113.59 2rqa n ALA 562 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.54 2rqa n ALA 562 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 0.23 0.00 -1.57 0.00 0.24 0.23 -4.93 118.33 112.52 2rqa n VAL 563 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2rqa n VAL 563 Cb 0.00 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.30 1.92 3.06 7.63 0.00 -0.70 -4.61 105.19 113.78 2rqa n GLY 564 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.97 -0.01 0.35 1.61 0.09 -1.26 -2.25 115.29 112.85 2rqa s HIS 565 Ca 0.00 0.02 0.27 0.00 -0.00 0.00 0.00 55.06 55.35 2rqa s HIS 565 Cb 0.00 -0.02 1.34 0.00 -0.00 0.00 0.00 32.58 33.90 2rqa s HIS 565 CO 0.00 -0.20 2.02 0.78 -0.00 0.00 0.00 174.74 177.34 2rqa h GLY 566 N 4.93 0.00 -2.31 -2.22 0.00 -0.38 -0.73 103.07 102.35 2rqa h GLY 566 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2rqa h GLY 566 CO 0.41 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.81 2rqa n SER 567 N -3.56 3.43 -0.00 0.19 3.41 -1.23 -3.88 113.62 111.98 2rqa n SER 567 Ca -0.01 -1.98 0.04 0.00 -0.26 0.00 0.00 58.87 56.66 2rqa n SER 567 Cb 0.28 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rqa n ASP 568 N 1.40 2.30 -4.94 4.04 9.92 -0.35 -4.98 116.55 123.94 2rqa n ASP 568 Ca 0.21 -0.18 -0.24 0.00 -0.53 0.00 0.00 54.79 54.05 2rqa n ASP 568 Cb 0.57 1.31 0.06 0.00 -0.64 0.00 0.00 41.12 42.41 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2rqa s LEU 569 N -3.32 2.96 0.30 0.64 0.05 -0.76 -3.72 118.68 114.84 2rqa s LEU 569 Ca -0.02 0.30 -0.13 0.00 0.05 0.00 0.00 54.13 54.33 2rqa s LEU 569 Cb 0.06 -3.02 0.02 0.00 -2.05 0.00 0.00 46.19 41.19 2rqa s LEU 569 CO 0.37 -1.46 0.60 -0.13 -0.55 0.00 0.00 176.35 175.18 2rqa s ARG 570 N -5.10 1.82 -0.21 1.48 0.52 0.63 -4.59 118.95 113.50 2rqa s ARG 570 Ca 0.59 -1.32 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 2rqa s ARG 570 Cb -0.11 0.53 -0.01 0.00 0.52 0.00 0.00 34.95 35.88 2rqa s ARG 570 CO 0.43 -0.80 -0.03 0.15 0.02 0.00 0.00 175.30 175.07 2rqa s LYS 571 N -3.46 3.47 -0.27 3.54 1.02 0.18 0.67 119.74 124.88 2rqa s LYS 571 Ca 0.20 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 2rqa s LYS 571 Cb -0.03 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.27 2rqa s LYS 571 CO 0.11 -0.10 1.18 0.08 -0.92 0.00 0.00 175.35 175.70 2rqa s VAL 572 N 1.24 4.37 -1.13 3.17 1.01 -1.00 0.28 120.40 128.35 2rqa s VAL 572 Ca 0.03 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 2rqa s VAL 572 Cb -0.14 -4.25 0.11 0.00 0.00 0.00 0.00 36.38 32.09 2rqa s VAL 572 CO -0.01 -0.38 0.39 -1.84 0.00 0.00 0.00 175.10 173.26 2rqa n GLU 573 N 6.89 -2.42 -4.05 2.72 0.28 -1.26 0.36 120.64 123.17 2rqa n GLU 573 Ca 0.13 0.24 -0.29 0.00 -0.16 0.00 0.00 57.16 57.08 2rqa n GLU 573 Cb 0.46 -4.85 -0.03 0.00 1.43 0.00 0.00 31.44 28.46 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 -0.95 -0.28 0.74 -1.84 0.00 -1.23 -4.86 105.19 96.77 2rqa n GLY 574 Ca 0.03 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.42 1.22 -4.01 2.61 -1.04 0.16 -5.08 114.28 103.71 2rqa n THR 575 Ca -0.20 0.26 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 2rqa n THR 575 Cb 0.63 -1.81 -0.11 0.00 -1.82 0.00 0.00 70.33 67.22 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 -2.28 0.39 -0.48 -1.42 3.76 -1.25 -5.00 115.29 109.01 2rqa s HIS 576 Ca -0.10 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.05 2rqa s HIS 576 Cb 0.02 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.46 2rqa s HIS 576 CO 0.14 -0.14 1.52 -1.01 -0.85 0.00 0.00 174.74 174.40 2rqa s HIS 577 N -1.31 2.19 -0.22 1.40 3.76 -1.26 -2.37 115.29 117.47 2rqa s HIS 577 Ca -0.13 0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 2rqa s HIS 577 Cb -0.09 -4.30 -0.01 0.00 1.11 0.00 0.00 32.58 29.29 2rqa s HIS 577 CO -0.00 -2.15 -0.01 0.14 -0.85 0.00 0.00 174.74 171.86 2rqa s VAL 578 N 6.30 3.64 -0.26 -0.90 -7.23 0.21 -3.32 120.40 118.84 2rqa s VAL 578 Ca 0.61 -0.40 -0.18 0.00 -1.81 0.00 0.00 61.98 60.19 2rqa s VAL 578 Cb -0.14 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2rqa s VAL 578 CO 0.28 0.41 0.53 0.21 -0.31 0.00 0.00 175.10 176.22 2rqa s ASN 579 N 1.43 6.46 0.03 4.85 3.04 -1.23 -0.27 114.94 129.25 2rqa s ASN 579 Ca 0.05 0.55 -0.18 0.00 0.04 0.00 0.00 52.86 53.32 2rqa s ASN 579 Cb -0.14 -2.29 -0.06 0.00 -1.54 0.00 0.00 41.25 37.22 2rqa s ASN 579 CO -0.01 -0.29 0.51 -0.69 -3.04 0.00 0.00 177.10 173.58 2rqa s VAL 580 N 2.27 4.88 0.00 -5.21 1.01 -1.24 -4.09 120.40 118.02 2rqa s VAL 580 Ca 0.22 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2rqa s VAL 580 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2rqa s VAL 580 CO 0.09 0.54 0.00 -3.20 0.00 0.00 0.00 175.10 172.53 2rqa n ASN 581 N 1.97 0.00 0.14 3.32 2.85 -1.26 -4.62 115.26 117.66 2rqa n ASN 581 Ca -0.11 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.37 2rqa n ASN 581 Cb 0.51 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.69 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2rqa h PRO 582 N 0.00 0.00 0.00 1.20 0.13 -1.96 -2.64 132.00 128.73 2rqa h PRO 582 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rqa h PRO 582 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rqa h PRO 582 CO 0.00 0.56 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 2rqa n ASN 583 N -3.51 0.00 0.09 1.44 3.02 -1.26 -2.92 115.26 112.11 2rqa n ASN 583 Ca -0.00 -0.91 -0.04 0.00 -0.03 0.00 0.00 54.58 53.60 2rqa n ASN 583 Cb 0.65 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2rqa h PHE 584 N 0.00 0.00 -0.26 3.10 3.57 -1.72 -3.01 116.94 118.62 2rqa h PHE 584 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2rqa h PHE 584 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2rqa h PHE 584 CO 0.00 0.85 0.06 0.66 -2.23 0.00 0.00 178.31 177.66 2rqa h SER 585 N 0.00 0.33 0.55 0.41 4.64 -1.70 0.12 113.55 117.90 2rqa h SER 585 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2rqa h SER 585 Cb 1.58 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2rqa h SER 585 CO 0.11 0.34 -0.33 0.59 -0.87 0.00 0.00 176.83 176.67 2rqa n ASN 586 N -4.39 0.46 0.01 4.97 3.02 -1.20 -3.37 115.26 114.76 2rqa n ASN 586 Ca 0.01 -0.21 0.11 0.00 -0.03 0.00 0.00 54.58 54.46 2rqa n ASN 586 Cb 0.16 0.05 0.09 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.34 0.10 -3.74 3.10 4.02 0.28 -4.90 117.16 114.68 2rqa n TYR 587 Ca 0.08 0.03 -0.10 0.00 -0.01 0.00 0.00 57.90 57.90 2rqa n TYR 587 Cb 0.33 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 2rqa n TYR 587 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2rqa s TYR 588 N -3.06 -0.03 -0.06 -0.72 -0.85 -0.45 -0.05 117.35 112.13 2rqa s TYR 588 Ca 0.08 -0.34 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 2rqa s TYR 588 Cb 0.16 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.63 2rqa s TYR 588 CO 0.77 -0.63 -0.11 -0.80 -1.52 0.00 0.00 175.55 173.26 2rqa s ASN 589 N -2.83 1.60 0.13 -0.18 0.01 -0.98 -4.68 114.94 108.00 2rqa s ASN 589 Ca 0.04 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.62 2rqa s ASN 589 Cb 0.03 -0.70 -0.07 0.00 0.41 0.00 0.00 41.25 40.92 2rqa s ASN 589 CO -0.11 0.03 1.25 -0.69 -1.51 0.00 0.00 177.10 176.07 2rqa s VAL 590 N 0.61 3.65 0.76 1.60 1.01 -1.26 -2.78 120.40 123.98 2rqa s VAL 590 Ca -0.12 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.96 2rqa s VAL 590 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2rqa s VAL 590 CO 0.03 0.14 0.40 -1.20 0.00 0.00 0.00 175.10 174.47 2rqa n SER 591 N 3.33 -1.72 -0.27 3.32 7.64 0.58 -4.82 113.62 121.68 2rqa n SER 591 Ca 0.08 0.53 0.07 0.00 1.01 0.00 0.00 58.87 60.56 2rqa n SER 591 Cb 0.45 -1.17 0.20 0.00 -1.01 0.00 0.00 64.21 62.67 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 -0.56 0.15 -7.14 1.43 2.43 -1.93 -3.41 114.38 105.35 2rqa h ARG 592 Ca -0.45 -0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.17 2rqa h ARG 592 Cb 1.34 -0.03 0.15 0.00 -0.42 0.00 0.00 29.97 31.01 2rqa h ARG 592 CO 0.40 0.10 0.44 -0.51 -1.51 0.00 0.00 179.97 178.89 2rqa s ASP 593 N -5.17 4.52 0.00 -3.80 1.11 -1.26 -5.01 116.67 107.06 2rqa s ASP 593 Ca -0.13 2.42 0.00 0.00 0.18 0.00 0.00 52.55 55.02 2rqa s ASP 593 Cb 0.23 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.62 2rqa s ASP 593 CO 0.76 -2.05 0.04 -0.81 1.18 0.00 0.00 175.17 174.29 2rqa n PRO 594 N -2.28 0.00 -4.33 8.23 -0.04 -1.26 -4.67 135.00 130.65 2rqa n PRO 594 Ca 0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 2rqa n PRO 594 Cb 0.50 -0.28 -0.14 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.08 3.05 -0.59 0.52 1.01 -1.12 -3.32 120.40 119.88 2rqa s VAL 595 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2rqa s VAL 595 Cb 0.00 -2.33 0.16 0.00 0.00 0.00 0.00 36.38 34.21 2rqa s VAL 595 CO 0.00 0.49 0.40 -0.69 0.00 0.00 0.00 175.10 175.30 2rqa s VAL 596 N 0.94 2.15 0.00 2.92 1.01 -1.26 -4.79 120.40 121.36 2rqa s VAL 596 Ca -0.02 -3.62 0.00 0.00 0.00 0.00 0.00 61.98 58.34 2rqa s VAL 596 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2rqa s VAL 596 CO -0.01 -1.01 0.00 -0.38 0.00 0.00 0.00 175.10 173.70 2rqa n ILE 597 N 2.48 0.00 -1.72 2.22 2.08 -1.26 -4.94 119.36 118.22 2rqa n ILE 597 Ca 0.19 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.40 2rqa n ILE 597 Cb 0.37 -0.44 -0.03 0.00 -0.75 0.00 0.00 39.64 38.79 2rqa n ILE 597 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2rqa n ASN 598 N -2.19 -3.82 -3.67 4.38 4.13 -1.26 -4.99 115.26 107.85 2rqa n ASN 598 Ca 0.00 0.13 -0.09 0.00 1.68 0.00 0.00 54.58 56.30 2rqa n ASN 598 Cb 0.14 -2.62 -0.09 0.00 -1.54 0.00 0.00 39.78 35.68 2rqa n ASN 598 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2rqa s LYS 599 N -3.63 0.52 0.37 3.52 2.36 -1.26 -5.17 119.74 116.46 2rqa s LYS 599 Ca 0.00 1.00 0.02 0.00 -2.55 0.00 0.00 55.97 54.44 2rqa s LYS 599 Cb 0.00 0.08 -0.02 0.00 -1.05 0.00 0.00 37.83 36.85 2rqa s LYS 599 CO 0.00 -0.16 0.55 0.08 1.55 0.00 0.00 175.35 177.37 2rqa s VAL 600 N 1.59 4.46 -0.06 4.02 1.01 -1.26 -4.89 120.40 125.28 2rqa s VAL 600 Ca -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2rqa s VAL 600 Cb -0.07 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2rqa s VAL 600 CO -0.16 -0.35 0.13 -0.36 0.00 0.00 0.00 175.10 174.36 2rqa s PHE 601 N -2.33 -0.15 -0.37 5.22 0.08 -1.26 -5.02 117.98 114.15 2rqa s PHE 601 Ca 0.44 0.40 -0.00 0.00 0.12 0.00 0.00 56.93 57.89 2rqa s PHE 601 Cb -0.10 -0.01 0.32 0.00 -0.57 0.00 0.00 43.02 42.66 2rqa s PHE 601 CO 0.35 -0.11 1.87 1.63 -0.10 0.00 0.00 175.22 178.86 2rqa n LYS 602 N 3.54 1.95 0.00 0.44 4.01 -1.26 -3.89 118.16 122.94 2rqa n LYS 602 Ca -0.19 -1.96 0.00 0.00 -0.51 0.00 0.00 58.31 55.65 2rqa n LYS 602 Cb 0.56 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2rqa n ASP 603 N -0.16 0.11 -3.66 4.39 10.43 -1.26 -5.10 116.55 121.30 2rqa n ASP 603 Ca 0.38 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.65 2rqa n ASP 603 Cb 0.80 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.68 2rqa n ASP 603 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 2rqa s TRP 604 N -1.66 -0.88 0.39 1.24 1.48 -1.25 -4.83 118.94 113.42 2rqa s TRP 604 Ca 0.00 1.84 -0.11 0.00 -1.06 0.00 0.00 56.10 56.76 2rqa s TRP 604 Cb 0.00 0.48 -0.07 0.00 -1.16 0.00 0.00 33.47 32.72 2rqa s TRP 604 CO 0.00 -0.45 0.76 -1.59 -4.06 0.00 0.00 176.95 171.61 2rqa s LYS 605 N 1.38 3.82 0.00 3.25 -2.85 -1.02 -4.44 119.74 119.88 2rqa s LYS 605 Ca -0.08 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 2rqa s LYS 605 Cb -0.06 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.31 2rqa s LYS 605 CO -0.15 0.00 0.00 -0.35 0.10 0.00 0.00 175.35 174.95 2rqa n PRO 606 N -1.11 0.64 0.00 1.78 -0.04 -1.26 -0.34 135.00 134.66 2rqa n PRO 606 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2rqa n PRO 606 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.41 3.24 0.55 0.00 0.62 -3.86 105.19 109.90 2rqa n GLY 607 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 -0.23 -0.02 -0.02 0.00 -1.19 -2.80 107.32 103.04 2rqa s GLY 608 Ca 0.00 0.77 -0.36 0.00 0.00 0.00 0.00 44.72 45.13 2rqa s GLY 608 CO 0.00 0.61 1.63 -0.62 0.00 0.00 0.00 173.10 174.72 2rqa n VAL 609 N 2.33 0.22 -3.51 1.40 0.31 -1.26 0.00 118.33 117.82 2rqa n VAL 609 Ca -0.16 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 2rqa n VAL 609 Cb 0.57 -1.37 -0.05 0.00 -0.91 0.00 0.00 33.84 32.08 2rqa n VAL 609 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 610 N 2.18 5.02 -0.03 2.52 1.01 0.13 -0.31 121.20 131.73 2rqa s ILE 610 Ca 0.88 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.94 2rqa s ILE 610 Cb -0.84 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.01 2rqa s ILE 610 CO 0.50 0.09 -0.01 -0.94 0.00 0.00 0.00 174.94 174.58 2rqa s SER 611 N -2.14 0.44 -0.25 3.58 1.04 -1.12 -2.82 113.70 112.43 2rqa s SER 611 Ca 0.41 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.52 2rqa s SER 611 Cb -0.13 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.71 2rqa s SER 611 CO 0.21 -0.09 2.24 0.00 0.98 0.00 0.00 173.24 176.59 2rqa h ARG 613 N 15.27 0.00 -0.46 0.00 2.43 -0.80 1.42 114.38 132.24 2rqa h ARG 613 Ca -0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2rqa h ARG 613 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2rqa h ARG 613 CO 0.98 0.47 0.14 -0.91 -1.51 0.00 0.00 179.97 179.14 2rqa h ASN 614 N 0.00 0.62 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.46 2rqa h ASN 614 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2rqa h ASN 614 Cb 0.85 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2rqa h ASN 614 CO 0.06 0.60 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 2rqa n GLY 616 N 2.18 0.24 3.39 0.00 0.00 0.48 -4.93 105.19 106.55 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 0.17 -1.70 1.61 2.13 -1.26 -3.34 120.64 118.25 2rqa n GLU 617 Ca 0.00 0.03 -0.44 0.00 0.66 0.00 0.00 57.16 57.42 2rqa n GLU 617 Cb 0.00 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rqa n VAL 618 N 7.05 0.53 -0.03 6.31 0.31 -1.26 -2.60 118.33 128.63 2rqa n VAL 618 Ca 0.57 -0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 64.55 2rqa n VAL 618 Cb 0.05 -1.74 -0.13 0.00 -0.91 0.00 0.00 33.84 31.10 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 2.80 1.03 0.00 3.52 8.01 -1.13 -4.90 117.44 126.77 2rqa n TRP 619 Ca 0.13 0.24 0.00 0.00 -1.31 0.00 0.00 57.50 56.56 2rqa n TRP 619 Cb 0.33 -1.13 0.00 0.00 -2.01 0.00 0.00 31.31 28.50 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 1.94 -0.69 3.24 6.99 0.00 -1.24 -3.53 105.19 111.91 2rqa n GLY 620 Ca -0.35 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.96 0.11 0.99 -0.00 -1.24 0.19 118.68 119.69 2rqa s LEU 621 Ca 0.00 -0.21 -0.28 0.00 -0.00 0.00 0.00 54.13 53.65 2rqa s LEU 621 Cb 0.00 1.28 -0.06 0.00 -0.00 0.00 0.00 46.19 47.41 2rqa s LEU 621 CO 0.00 -0.60 0.86 -1.58 -0.00 0.00 0.00 176.35 175.04 2rqa s GLN 622 N -2.50 4.62 -0.04 1.48 0.74 0.10 -2.18 119.66 121.88 2rqa s GLN 622 Ca -0.05 1.28 0.05 0.00 0.05 0.00 0.00 55.36 56.69 2rqa s GLN 622 Cb -0.01 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 2rqa s GLN 622 CO -0.03 0.32 -0.20 -1.64 -0.55 0.00 0.00 175.29 173.19 2rqa s MET 623 N -0.30 1.93 0.16 1.67 -1.94 -0.38 0.23 119.30 120.67 2rqa s MET 623 Ca 0.42 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 2rqa s MET 623 Cb -0.23 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2rqa s MET 623 CO 0.27 0.35 0.19 0.42 -0.01 0.00 0.00 175.02 176.24 2rqa s ILE 624 N -0.19 4.82 -0.29 2.53 1.09 0.53 -1.09 121.20 128.60 2rqa s ILE 624 Ca 0.00 -0.91 -0.11 0.00 -1.10 0.00 0.00 60.65 58.53 2rqa s ILE 624 Cb -0.11 -3.47 0.12 0.00 -1.06 0.00 0.00 42.46 37.94 2rqa s ILE 624 CO 0.02 -0.09 0.65 -0.47 -0.10 0.00 0.00 174.94 174.94 2rqa s TYR 625 N -1.74 -1.26 -1.55 3.97 5.04 -0.68 -2.43 117.35 118.69 2rqa s TYR 625 Ca 0.32 2.26 0.00 0.00 -2.44 0.00 0.00 57.07 57.21 2rqa s TYR 625 Cb -0.11 0.75 0.00 0.00 0.35 0.00 0.00 41.96 42.96 2rqa s TYR 625 CO 0.25 -0.63 0.00 1.17 -1.34 0.00 0.00 175.55 175.00 2rqa n LYS 626 N 5.20 -1.51 -1.77 4.97 3.00 -1.26 -0.13 118.16 126.66 2rqa n LYS 626 Ca -0.14 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 2rqa n LYS 626 Cb 0.51 -5.25 0.00 0.00 0.00 0.00 0.00 35.03 30.29 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2rqa n SER 627 N -0.93 -1.31 -4.16 3.14 3.41 -1.26 -5.07 113.62 107.43 2rqa n SER 627 Ca -0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.19 2rqa n SER 627 Cb 0.56 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.57 1.57 -0.68 -3.33 1.01 0.82 -5.08 120.40 112.13 2rqa s VAL 628 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 2rqa s VAL 628 Cb 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.09 2rqa s VAL 628 CO 0.00 0.45 1.11 -0.54 0.00 0.00 0.00 175.10 176.12 2rqa s LYS 629 N 0.02 3.18 -0.22 2.72 -0.14 -1.26 -1.69 119.74 122.34 2rqa s LYS 629 Ca -0.04 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.10 2rqa s LYS 629 Cb -0.12 -4.18 0.05 0.00 -1.68 0.00 0.00 37.83 31.90 2rqa s LYS 629 CO 0.03 -1.93 -0.07 -0.51 -0.76 0.00 0.00 175.35 172.11 2rqa s LEU 630 N 4.84 2.46 0.76 3.17 1.43 -0.25 -4.74 118.68 126.36 2rqa s LEU 630 Ca 0.29 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 2rqa s LEU 630 Cb -0.12 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2rqa s LEU 630 CO 0.14 -0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.43 2rqa s PRO 631 N 1.40 2.37 -0.45 1.29 0.04 -1.26 -1.25 135.00 137.14 2rqa s PRO 631 Ca -0.04 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2rqa s PRO 631 Cb -0.18 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2rqa s PRO 631 CO -0.07 -1.45 0.22 0.08 0.04 0.00 0.00 177.00 175.82 2rqa s VAL 632 N -3.12 1.92 0.55 -0.36 1.01 -0.93 -3.49 120.40 115.99 2rqa s VAL 632 Ca 0.60 -2.76 0.02 0.00 0.00 0.00 0.00 61.98 59.84 2rqa s VAL 632 Cb -0.14 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.93 2rqa s VAL 632 CO 0.54 -0.81 0.77 -0.76 0.00 0.00 0.00 175.10 174.84 2rqa s LEU 633 N 0.24 3.28 0.00 3.92 2.01 -1.21 -3.64 118.68 123.28 2rqa s LEU 633 Ca 0.16 -0.15 0.05 0.00 0.01 0.00 0.00 54.13 54.20 2rqa s LEU 633 Cb -0.24 -2.68 0.05 0.00 0.01 0.00 0.00 46.19 43.33 2rqa s LEU 633 CO -0.02 -1.18 0.42 0.29 1.01 0.00 0.00 176.35 176.87 2rqa n LYS 634 N -2.33 0.80 -0.04 1.70 5.02 -1.23 -4.62 118.16 117.46 2rqa n LYS 634 Ca 0.09 -1.72 0.01 0.00 -2.02 0.00 0.00 58.31 54.67 2rqa n LYS 634 Cb 0.60 -0.11 -0.14 0.00 -0.02 0.00 0.00 35.03 35.36 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 -1.66 0.55 0.65 -0.18 3.14 -1.26 -3.83 118.33 115.74 2rqa n VAL 635 Ca 0.08 -0.58 0.13 0.00 -2.96 0.00 0.00 64.34 61.01 2rqa n VAL 635 Cb 0.33 -0.21 0.34 0.00 -1.06 0.00 0.00 33.84 33.24 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 -2.38 0.24 0.00 1.45 1.85 -1.20 -3.15 116.66 113.47 2rqa n ARG 636 Ca -0.15 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 2rqa n ARG 636 Cb 0.76 -1.73 -0.08 0.00 -1.05 0.00 0.00 32.46 30.36 2rqa n ARG 636 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2rqa n SER 637 N -2.13 0.74 -4.30 2.89 7.64 -1.26 -4.76 113.62 112.44 2rqa n SER 637 Ca 0.05 -0.67 -0.33 0.00 1.01 0.00 0.00 58.87 58.93 2rqa n SER 637 Cb 0.42 1.06 -0.15 0.00 -1.01 0.00 0.00 64.21 64.54 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2rqa s MET 638 N -3.11 3.28 -0.13 1.43 -1.94 -1.19 -2.76 119.30 114.89 2rqa s MET 638 Ca 0.05 -0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 53.19 2rqa s MET 638 Cb 0.16 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 2rqa s MET 638 CO 0.85 0.07 0.26 -1.17 -0.01 0.00 0.00 175.02 175.03 2rqa s LEU 639 N 0.69 4.30 -0.47 -0.03 2.96 0.13 -4.72 118.68 121.53 2rqa s LEU 639 Ca -0.07 0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 54.20 2rqa s LEU 639 Cb -0.15 -2.32 0.05 0.00 0.50 0.00 0.00 46.19 44.27 2rqa s LEU 639 CO 0.02 0.20 0.53 -0.76 -1.32 0.00 0.00 176.35 175.02 2rqa s LEU 640 N -0.04 5.03 0.09 -0.68 2.01 -0.41 -2.49 118.68 122.19 2rqa s LEU 640 Ca 0.16 -0.88 -0.30 0.00 0.01 0.00 0.00 54.13 53.12 2rqa s LEU 640 Cb -0.13 -2.40 -0.06 0.00 0.01 0.00 0.00 46.19 43.61 2rqa s LEU 640 CO 0.05 -0.75 1.14 -1.61 1.01 0.00 0.00 176.35 176.19 2rqa s GLU 641 N 2.32 4.50 0.05 1.70 2.02 -1.24 -0.66 118.70 127.37 2rqa s GLU 641 Ca 0.13 1.72 -0.01 0.00 0.02 0.00 0.00 54.97 56.83 2rqa s GLU 641 Cb -0.19 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2rqa s GLU 641 CO 0.12 -0.13 -0.03 0.95 0.02 0.00 0.00 175.26 176.19 2rqa s THR 642 N 0.62 0.22 -0.29 3.63 -4.23 -1.26 -3.92 115.64 110.40 2rqa s THR 642 Ca 0.55 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 59.63 2rqa s THR 642 Cb -0.29 -1.38 0.34 0.00 1.34 0.00 0.00 72.50 72.52 2rqa s THR 642 CO 0.31 -0.94 1.79 1.55 -0.54 0.00 0.00 174.62 176.79 2rqa h PRO 643 N 3.32 0.00 -0.01 3.99 0.13 -1.92 -2.60 132.00 134.92 2rqa h PRO 643 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2rqa h PRO 643 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2rqa h PRO 643 CO 0.63 0.00 -0.31 1.04 -0.23 0.00 0.00 178.00 179.13 2rqa n GLN 644 N -2.84 0.77 0.00 0.86 6.02 -1.26 -4.99 117.38 115.94 2rqa n GLN 644 Ca 0.03 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 2rqa n GLN 644 Cb 0.39 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 1.37 3.98 2.95 1.08 0.00 -0.98 -5.09 105.19 108.50 2rqa n GLY 645 Ca 0.11 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.00 -3.76 1.61 1.74 -1.25 -4.35 116.66 110.65 2rqa n ARG 646 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2rqa n ARG 646 Cb 0.00 -0.95 -0.17 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.91 0.06 -0.25 0.55 1.01 0.16 -4.88 121.20 115.96 2rqa s ILE 647 Ca 0.44 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.37 2rqa s ILE 647 Cb -0.29 -0.25 0.06 0.00 0.01 0.00 0.00 42.46 41.99 2rqa s ILE 647 CO 0.73 0.18 -0.06 -1.58 0.00 0.00 0.00 174.94 174.21 2rqa s GLN 648 N 1.72 1.75 0.53 2.79 -0.44 -1.26 -1.29 119.66 123.47 2rqa s GLN 648 Ca -0.00 -1.14 0.05 0.00 -2.50 0.00 0.00 55.36 51.77 2rqa s GLN 648 Cb -0.13 -2.69 0.03 0.00 -1.64 0.00 0.00 33.01 28.59 2rqa s GLN 648 CO -0.03 -0.62 0.35 0.00 0.50 0.00 0.00 175.29 175.49 2rqa s ALA 649 N 1.30 4.36 -0.13 1.58 0.00 -1.26 -5.05 121.76 122.55 2rqa s ALA 649 Ca -0.05 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.77 2rqa s ALA 649 Cb -0.19 -0.65 -0.12 0.00 0.00 0.00 0.00 23.12 22.15 2rqa s ALA 649 CO -0.06 -0.39 0.25 1.63 0.00 0.00 0.00 175.76 177.19 2rqa n LYS 650 N -1.69 1.45 -4.65 0.00 4.76 -1.26 -3.20 118.16 113.57 2rqa n LYS 650 Ca -0.03 -0.06 -0.24 0.00 -2.87 0.00 0.00 58.31 55.11 2rqa n LYS 650 Cb 0.64 -1.12 -0.14 0.00 -1.84 0.00 0.00 35.03 32.57 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2rqa s LYS 651 N -2.37 1.31 0.12 1.97 -0.14 -1.26 -4.31 119.74 115.05 2rqa s LYS 651 Ca -0.01 -0.81 0.16 0.00 -1.36 0.00 0.00 55.97 53.94 2rqa s LYS 651 Cb 0.06 -1.36 0.69 0.00 -1.68 0.00 0.00 37.83 35.55 2rqa s LYS 651 CO 0.36 0.35 1.49 0.91 -0.76 0.00 0.00 175.35 177.70 2rqa n TRP 652 N 2.10 0.33 0.34 3.18 7.02 -1.26 -1.45 117.44 127.69 2rqa n TRP 652 Ca -0.17 0.14 0.05 0.00 -1.02 0.00 0.00 57.50 56.50 2rqa n TRP 652 Cb 0.54 -0.73 0.21 0.00 -2.42 0.00 0.00 31.31 28.91 2rqa n TRP 652 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2rqa n SER 653 N -1.81 0.01 -0.08 -0.99 7.64 -1.26 -1.56 113.62 115.57 2rqa n SER 653 Ca 0.02 0.50 -0.05 0.00 1.01 0.00 0.00 58.87 60.35 2rqa n SER 653 Cb 0.14 -0.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.69 2rqa n SER 653 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rqa n ARG 654 N -1.51 0.82 -1.64 1.43 5.12 -0.53 -4.96 116.66 115.38 2rqa n ARG 654 Ca 0.02 -0.05 -0.66 0.00 -1.93 0.00 0.00 57.85 55.24 2rqa n ARG 654 Cb 0.12 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 29.82 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 -2.61 0.01 0.01 1.55 0.31 -0.60 -4.81 118.33 112.18 2rqa n VAL 655 Ca -0.26 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 63.88 2rqa n VAL 655 Cb 1.01 -0.52 -0.09 0.00 -0.91 0.00 0.00 33.84 33.32 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 5.96 0.71 -7.11 5.55 0.13 -1.92 -3.45 132.00 131.87 2rqa h PRO 656 Ca -0.36 -0.69 -0.50 0.00 -0.87 0.00 0.00 66.00 63.58 2rqa h PRO 656 Cb 1.38 0.18 0.07 0.00 0.13 0.00 0.00 31.00 32.76 2rqa h PRO 656 CO 1.00 1.28 0.42 -0.59 -0.23 0.00 0.00 178.00 179.88 2rqa s PHE 657 N -3.47 2.71 0.25 1.56 -0.12 -1.26 -4.85 117.98 112.81 2rqa s PHE 657 Ca -0.10 1.55 -0.30 0.00 -0.05 0.00 0.00 56.93 58.03 2rqa s PHE 657 Cb 0.07 -3.24 -0.09 0.00 -0.63 0.00 0.00 43.02 39.13 2rqa s PHE 657 CO 0.91 -1.49 0.94 -1.12 -0.05 0.00 0.00 175.22 174.40 2rqa s SER 658 N -1.96 7.62 -0.41 1.98 0.01 -1.26 -5.01 113.70 114.67 2rqa s SER 658 Ca 0.71 1.94 0.03 0.00 1.31 0.00 0.00 55.95 59.94 2rqa s SER 658 Cb -0.22 -2.61 0.11 0.00 0.21 0.00 0.00 66.02 63.51 2rqa s SER 658 CO 0.29 0.14 0.14 -0.69 0.41 0.00 0.00 173.24 173.53 2rqa s VAL 659 N -1.22 2.21 0.46 3.43 1.01 -1.26 -4.82 120.40 120.20 2rqa s VAL 659 Ca 0.42 -2.64 -0.22 0.00 0.00 0.00 0.00 61.98 59.54 2rqa s VAL 659 Cb -0.25 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 2rqa s VAL 659 CO 0.31 -0.70 1.04 -2.16 0.00 0.00 0.00 175.10 173.59 2rqa s PRO 660 N 0.49 3.92 0.44 2.72 0.04 -1.26 -4.54 135.00 136.81 2rqa s PRO 660 Ca 0.14 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 2rqa s PRO 660 Cb -0.22 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2rqa s PRO 660 CO -0.06 -0.34 1.30 0.16 0.04 0.00 0.00 177.00 178.11 2rqa s ASP 661 N -1.84 6.08 -0.42 6.66 -4.77 -1.26 -0.65 116.67 120.48 2rqa s ASP 661 Ca 0.64 2.64 -0.40 0.00 -3.30 0.00 0.00 52.55 52.13 2rqa s ASP 661 Cb -0.18 -2.63 -0.15 0.00 -1.09 0.00 0.00 42.92 38.86 2rqa s ASP 661 CO 0.22 -1.00 2.15 0.33 0.70 0.00 0.00 175.17 177.57 2rqa n PHE 662 N -0.18 1.40 -2.29 2.11 7.35 0.14 -4.58 117.46 121.40 2rqa n PHE 662 Ca 0.05 0.53 -0.34 0.00 -0.76 0.00 0.00 57.45 56.94 2rqa n PHE 662 Cb 0.44 -2.41 -0.04 0.00 0.35 0.00 0.00 39.48 37.82 2rqa n PHE 662 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2rqa s ASP 663 N 6.54 5.80 0.51 -2.13 1.01 -1.26 -4.77 116.67 122.37 2rqa s ASP 663 Ca 1.14 -1.06 0.22 0.00 0.71 0.00 0.00 52.55 53.57 2rqa s ASP 663 Cb -1.18 -2.56 1.37 0.00 1.01 0.00 0.00 42.92 41.55 2rqa s ASP 663 CO 0.58 -2.15 2.10 0.15 0.21 0.00 0.00 175.17 176.06 2rqa h PHE 664 N 10.56 0.00 -0.28 4.23 3.57 -1.98 0.64 116.94 133.68 2rqa h PHE 664 Ca 0.15 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 2rqa h PHE 664 Cb 1.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2rqa h PHE 664 CO 1.25 0.10 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.34 2rqa h LEU 665 N 0.00 0.49 0.30 0.59 3.38 -1.97 0.44 115.31 118.54 2rqa h LEU 665 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2rqa h LEU 665 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2rqa h LEU 665 CO 0.01 0.69 -0.14 -0.61 0.09 0.00 0.00 178.44 178.48 2rqa h GLN 666 N 0.28 -0.39 -0.44 1.13 5.75 -1.78 -0.74 115.11 118.92 2rqa h GLN 666 Ca 0.08 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.69 2rqa h GLN 666 Cb 0.45 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 28.99 2rqa h GLN 666 CO 0.02 -0.08 -0.31 1.25 -2.65 0.00 0.00 178.83 177.06 2rqa h HIS 667 N -0.98 -0.84 0.00 3.99 2.76 -0.96 1.52 115.15 120.64 2rqa h HIS 667 Ca -0.04 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2rqa h HIS 667 Cb 0.49 0.44 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 2rqa h HIS 667 CO 0.04 -0.37 -0.06 0.00 -1.30 0.00 0.00 177.93 176.24 2rqa n ALA 669 N -2.38 2.67 0.37 0.00 0.00 0.41 0.07 120.51 121.64 2rqa n ALA 669 Ca -0.03 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2rqa n ALA 669 Cb 0.15 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 0.64 -2.07 114.58 118.22 2rqa h GLU 670 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2rqa h GLU 670 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2rqa h GLU 670 CO 0.00 0.00 -1.56 0.27 -1.00 0.00 0.00 179.01 176.72 2rqa n ASN 671 N -2.41 3.15 -0.07 1.42 0.23 -0.95 -4.75 115.26 111.88 2rqa n ASN 671 Ca 0.02 -0.03 -0.08 0.00 -0.53 0.00 0.00 54.58 53.96 2rqa n ASN 671 Cb 0.49 0.19 -0.06 0.00 -2.08 0.00 0.00 39.78 38.32 2rqa n ASN 671 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2rqa h LEU 672 N 0.00 0.00 0.65 -4.53 3.38 -0.53 -3.47 115.31 110.80 2rqa h LEU 672 Ca -0.22 -0.35 -0.28 0.00 0.09 0.00 0.00 57.88 57.12 2rqa h LEU 672 Cb 1.41 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.05 2rqa h LEU 672 CO -0.02 0.83 -0.25 -1.20 0.09 0.00 0.00 178.44 177.89 2rqa n SER 673 N -4.65 -5.06 0.24 -0.43 7.64 -0.78 -4.82 113.62 105.76 2rqa n SER 673 Ca -0.09 0.34 0.16 0.00 1.01 0.00 0.00 58.87 60.29 2rqa n SER 673 Cb 0.28 -3.76 0.85 0.00 -1.01 0.00 0.00 64.21 60.58 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 0.32 6.43 1.82 -1.87 -2.64 116.42 120.48 2rqa h ASP 674 Ca -0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2rqa h ASP 674 Cb 1.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2rqa h ASP 674 CO 0.41 0.00 -0.16 -0.07 -1.61 0.00 0.00 179.24 177.80 2rqa h LEU 675 N 0.00 -0.40 -7.00 2.28 3.38 -1.90 -3.47 115.31 108.20 2rqa h LEU 675 Ca 0.05 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2rqa h LEU 675 Cb 0.29 0.11 -0.24 0.00 0.09 0.00 0.00 40.66 40.90 2rqa h LEU 675 CO -0.00 -0.27 0.59 -0.44 0.09 0.00 0.00 178.44 178.41 2rqa s SER 676 N -2.70 -0.33 -0.13 -0.43 0.01 -0.99 -5.06 113.70 104.07 2rqa s SER 676 Ca -0.07 0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2rqa s SER 676 Cb 0.01 0.33 -0.25 0.00 0.21 0.00 0.00 66.02 66.32 2rqa s SER 676 CO 0.20 -0.27 0.43 -0.07 0.41 0.00 0.00 173.24 173.94 2rqa h LEU 677 N 2.72 0.31 0.00 2.44 4.07 -1.93 -3.47 115.31 119.45 2rqa h LEU 677 Ca -0.19 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 56.97 2rqa h LEU 677 Cb 1.17 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2rqa h LEU 677 CO 0.27 1.66 0.00 -0.67 -1.08 0.00 0.00 178.44 178.62