#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 3.98 0.25 1.61 0.04 -1.26 -5.06 135.00 134.56 2rqa s PRO 543 Ca 0.00 1.44 0.07 0.00 0.04 0.00 0.00 61.00 62.55 2rqa s PRO 543 Cb 0.00 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2rqa s PRO 543 CO 0.00 -0.29 0.15 -1.01 0.04 0.00 0.00 177.00 175.89 2rqa s HIS 544 N -1.82 3.03 -1.28 0.56 3.76 -1.26 -5.02 115.29 113.26 2rqa s HIS 544 Ca 0.63 -0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 55.22 2rqa s HIS 544 Cb -0.19 -1.37 0.03 0.00 1.11 0.00 0.00 32.58 32.16 2rqa s HIS 544 CO 0.24 0.54 1.83 -1.33 -0.85 0.00 0.00 174.74 175.17 2rqa n MET 545 N -1.06 2.83 -4.31 1.40 2.81 -1.26 -4.89 117.12 112.64 2rqa n MET 545 Ca -0.08 -3.02 -0.20 0.00 -1.81 0.00 0.00 57.70 52.59 2rqa n MET 545 Cb 0.58 -3.50 -0.16 0.00 -0.71 0.00 0.00 33.22 29.43 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 4.54 0.98 -0.26 0.03 -0.21 -1.26 -5.11 119.66 118.36 2rqa s GLN 546 Ca 0.56 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.70 2rqa s GLN 546 Cb 0.05 -0.91 0.13 0.00 1.00 0.00 0.00 33.01 33.27 2rqa s GLN 546 CO 0.07 0.02 0.33 -0.06 -2.12 0.00 0.00 175.29 173.53 2rqa s PHE 547 N 0.55 -0.66 0.23 0.91 0.40 -1.26 -5.07 117.98 113.07 2rqa s PHE 547 Ca -0.08 0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 56.26 2rqa s PHE 547 Cb -0.12 -0.23 -0.09 0.00 0.51 0.00 0.00 43.02 43.09 2rqa s PHE 547 CO 0.01 -0.82 1.10 -1.25 0.70 0.00 0.00 175.22 174.96 2rqa s PRO 548 N 2.45 4.62 0.32 0.24 0.04 -1.26 -3.90 135.00 137.51 2rqa s PRO 548 Ca 0.10 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.99 2rqa s PRO 548 Cb -0.14 -3.24 0.88 0.00 0.04 0.00 0.00 34.50 32.04 2rqa s PRO 548 CO -0.24 0.14 1.73 -0.39 0.04 0.00 0.00 177.00 178.28 2rqa h VAL 549 N 3.43 0.54 -0.58 -0.36 -1.51 -1.88 1.06 116.25 116.95 2rqa h VAL 549 Ca -0.45 -0.20 0.05 0.00 -1.23 0.00 0.00 66.70 64.87 2rqa h VAL 549 Cb 1.21 -0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.24 2rqa h VAL 549 CO 0.70 0.11 0.39 1.05 -1.23 0.00 0.00 177.57 178.58 2rqa h GLU 550 N 0.58 0.57 0.00 5.19 4.11 -1.91 0.25 114.58 123.37 2rqa h GLU 550 Ca 0.64 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.04 2rqa h GLU 550 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2rqa h GLU 550 CO -0.47 0.38 -0.24 0.45 0.07 0.00 0.00 179.01 179.20 2rqa h HIS 551 N 0.59 0.00 -3.27 2.06 3.86 0.71 -3.44 115.15 115.66 2rqa h HIS 551 Ca 0.25 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.87 2rqa h HIS 551 Cb 0.23 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.61 2rqa h HIS 551 CO -0.00 0.00 -0.28 0.08 0.86 0.00 0.00 177.93 178.59 2rqa s VAL 552 N -3.16 5.27 0.14 2.45 1.01 0.87 -4.23 120.40 122.75 2rqa s VAL 552 Ca 0.08 0.65 0.10 0.00 0.00 0.00 0.00 61.98 62.82 2rqa s VAL 552 Cb 0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2rqa s VAL 552 CO 0.66 0.39 -0.23 -1.58 0.00 0.00 0.00 175.10 174.34 2rqa s GLN 553 N 0.37 1.57 -0.35 2.72 0.74 -1.19 -1.52 119.66 121.99 2rqa s GLN 553 Ca 0.19 -1.34 -0.18 0.00 0.05 0.00 0.00 55.36 54.08 2rqa s GLN 553 Cb -0.14 -1.96 -0.00 0.00 1.10 0.00 0.00 33.01 32.01 2rqa s GLN 553 CO 0.06 0.44 0.51 -0.51 -0.55 0.00 0.00 175.29 175.24 2rqa s LEU 554 N -2.27 4.38 0.36 3.68 1.43 -0.67 -2.99 118.68 122.59 2rqa s LEU 554 Ca 0.17 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2rqa s LEU 554 Cb -0.10 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2rqa s LEU 554 CO 0.08 -0.49 0.17 -0.76 0.23 0.00 0.00 176.35 175.59 2rqa s LEU 555 N 2.38 1.84 -0.45 1.79 1.02 -0.69 0.35 118.68 124.91 2rqa s LEU 555 Ca 0.18 -1.66 -0.11 0.00 0.02 0.00 0.00 54.13 52.57 2rqa s LEU 555 Cb -0.16 0.14 0.09 0.00 0.02 0.00 0.00 46.19 46.29 2rqa s LEU 555 CO 0.13 -0.95 0.33 0.00 0.02 0.00 0.00 176.35 175.89 2rqa n ILE 557 N 4.99 -0.14 0.04 0.00 -5.35 -1.20 0.28 119.36 117.99 2rqa n ILE 557 Ca -0.10 1.29 -0.03 0.00 -0.27 0.00 0.00 62.75 63.64 2rqa n ILE 557 Cb 0.42 -2.12 -0.01 0.00 -1.74 0.00 0.00 39.64 36.19 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 -0.15 0.02 7.28 4.21 -1.92 -3.41 115.58 121.61 2rqa h ASN 558 Ca 0.67 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 58.19 2rqa h ASN 558 Cb 2.33 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 39.57 2rqa h ASN 558 CO -0.25 0.19 -0.01 0.00 -1.29 0.00 0.00 177.43 176.07 2rqa n MET 560 N -2.31 -0.97 0.00 0.00 2.81 0.81 -4.86 117.12 112.60 2rqa n MET 560 Ca -0.00 0.12 0.04 0.00 -1.81 0.00 0.00 57.70 56.04 2rqa n MET 560 Cb 0.01 -2.97 0.03 0.00 -0.71 0.00 0.00 33.22 29.59 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 -1.83 0.00 -1.28 2.03 0.24 -1.26 -4.84 118.33 111.39 2rqa n VAL 561 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2rqa n VAL 561 Cb 0.52 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.41 -2.75 1.00 2.33 0.00 -1.26 -4.97 120.51 115.28 2rqa n ALA 562 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2rqa n ALA 562 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 0.12 0.00 -2.82 0.00 0.24 0.16 -4.93 118.33 111.10 2rqa n VAL 563 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2rqa n VAL 563 Cb 0.00 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 1.41 -0.57 3.25 7.63 0.00 -0.26 -4.70 105.19 111.95 2rqa n GLY 564 Ca 0.10 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.09 1.64 -0.23 1.61 3.76 -1.26 -1.68 115.29 116.04 2rqa s HIS 565 Ca 0.00 -0.42 0.28 0.00 -0.15 0.00 0.00 55.06 54.78 2rqa s HIS 565 Cb 0.00 -0.92 1.03 0.00 1.11 0.00 0.00 32.58 33.81 2rqa s HIS 565 CO 0.00 0.15 1.83 0.78 -0.85 0.00 0.00 174.74 176.65 2rqa h GLY 566 N 4.26 0.00 -2.79 -2.22 0.00 -1.45 -2.33 103.07 98.54 2rqa h GLY 566 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2rqa h GLY 566 CO 0.40 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.68 2rqa n SER 567 N -2.78 4.39 -0.00 0.19 2.88 -1.23 -3.97 113.62 113.11 2rqa n SER 567 Ca 0.02 -2.31 0.02 0.00 -1.33 0.00 0.00 58.87 55.28 2rqa n SER 567 Cb 0.34 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rqa n ASP 568 N 1.18 0.27 -4.94 -3.46 10.43 -0.88 -5.01 116.55 114.14 2rqa n ASP 568 Ca 0.24 -0.63 -0.24 0.00 2.57 0.00 0.00 54.79 56.72 2rqa n ASP 568 Cb 0.79 0.98 0.02 0.00 1.84 0.00 0.00 41.12 44.75 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2rqa s LEU 569 N -2.22 3.42 0.00 0.64 0.05 -1.19 -3.56 118.68 115.81 2rqa s LEU 569 Ca 0.02 0.45 0.02 0.00 0.05 0.00 0.00 54.13 54.67 2rqa s LEU 569 Cb 0.04 -3.30 -0.01 0.00 -2.05 0.00 0.00 46.19 40.87 2rqa s LEU 569 CO 0.21 -0.92 0.10 0.54 -0.55 0.00 0.00 176.35 175.73 2rqa n ARG 570 N -2.34 0.14 -3.89 1.48 5.12 -0.62 -4.56 116.66 111.99 2rqa n ARG 570 Ca 0.03 -0.91 -0.28 0.00 -1.93 0.00 0.00 57.85 54.77 2rqa n ARG 570 Cb 0.58 0.77 -0.17 0.00 -1.16 0.00 0.00 32.46 32.49 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2rqa s LYS 571 N -2.34 1.42 -0.45 5.56 2.20 0.22 -1.31 119.74 125.03 2rqa s LYS 571 Ca 0.11 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 2rqa s LYS 571 Cb 0.00 -1.91 0.02 0.00 -1.51 0.00 0.00 37.83 34.43 2rqa s LYS 571 CO 0.07 -0.40 1.26 0.08 -0.36 0.00 0.00 175.35 176.00 2rqa s VAL 572 N 1.66 4.07 -1.67 4.02 1.01 -1.26 0.36 120.40 128.59 2rqa s VAL 572 Ca 0.02 1.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2rqa s VAL 572 Cb -0.15 -4.43 0.21 0.00 0.00 0.00 0.00 36.38 32.01 2rqa s VAL 572 CO -0.08 -0.90 0.53 -1.84 0.00 0.00 0.00 175.10 172.81 2rqa n GLU 573 N 7.95 -0.85 -4.26 2.72 0.28 -1.26 0.71 120.64 125.93 2rqa n GLU 573 Ca 0.14 0.12 -0.31 0.00 -0.16 0.00 0.00 57.16 56.96 2rqa n GLU 573 Cb 0.49 -4.42 -0.08 0.00 1.43 0.00 0.00 31.44 28.86 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 -0.99 -0.16 0.59 -1.84 0.00 -1.25 -4.82 105.19 96.71 2rqa n GLY 574 Ca 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.52 0.63 -3.29 2.61 -1.04 0.22 -5.02 114.28 103.87 2rqa n THR 575 Ca -0.29 -0.17 -0.01 0.00 -2.04 0.00 0.00 64.05 61.54 2rqa n THR 575 Cb 0.68 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.21 -1.31 -0.47 -1.42 3.76 -1.25 -5.05 115.29 107.35 2rqa s HIS 576 Ca -0.16 1.53 -0.46 0.00 -0.15 0.00 0.00 55.06 55.81 2rqa s HIS 576 Cb 0.06 0.43 -0.20 0.00 1.11 0.00 0.00 32.58 33.98 2rqa s HIS 576 CO 0.21 -0.79 1.56 0.72 -0.85 0.00 0.00 174.74 175.59 2rqa n HIS 577 N 5.41 1.68 -4.02 1.40 8.25 -1.26 -4.08 115.22 122.60 2rqa n HIS 577 Ca -0.03 1.14 -0.31 0.00 -0.26 0.00 0.00 57.72 58.25 2rqa n HIS 577 Cb 0.50 -2.21 -0.15 0.00 1.12 0.00 0.00 29.99 29.25 2rqa n HIS 577 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2rqa s VAL 578 N 2.80 1.96 -0.52 1.59 -7.23 -0.43 -2.72 120.40 115.86 2rqa s VAL 578 Ca 1.04 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.31 2rqa s VAL 578 Cb -1.48 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 33.31 2rqa s VAL 578 CO 0.80 -0.14 1.18 0.21 -0.31 0.00 0.00 175.10 176.84 2rqa s ASN 579 N 1.17 6.53 0.29 4.85 3.04 -1.24 -1.59 114.94 128.00 2rqa s ASN 579 Ca -0.05 0.33 -0.22 0.00 0.04 0.00 0.00 52.86 52.96 2rqa s ASN 579 Cb -0.19 -2.55 -0.09 0.00 -1.54 0.00 0.00 41.25 36.87 2rqa s ASN 579 CO -0.06 -1.37 0.84 -0.69 -3.04 0.00 0.00 177.10 172.78 2rqa s VAL 580 N 4.74 4.40 0.00 -5.21 1.01 -1.23 -4.44 120.40 119.67 2rqa s VAL 580 Ca 0.47 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2rqa s VAL 580 Cb -0.08 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2rqa s VAL 580 CO 0.29 0.10 0.00 -3.20 0.00 0.00 0.00 175.10 172.30 2rqa n ASN 581 N 0.46 0.00 0.19 3.32 2.85 -1.26 -4.47 115.26 116.34 2rqa n ASN 581 Ca 0.01 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2rqa n ASN 581 Cb 0.51 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.80 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 -0.20 1.20 0.13 -1.96 -2.61 132.00 128.56 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 0.34 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 2rqa n ASN 583 N -3.35 1.12 0.11 1.44 5.03 -1.26 -3.42 115.26 114.93 2rqa n ASN 583 Ca 0.01 -1.93 0.04 0.00 0.87 0.00 0.00 54.58 53.56 2rqa n ASN 583 Cb 0.56 -0.13 -0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 1.26 0.00 0.00 3.10 3.57 -1.74 -3.27 116.94 119.85 2rqa h PHE 584 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2rqa h PHE 584 Cb 0.29 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2rqa h PHE 584 CO 0.13 0.42 -0.04 0.66 -2.23 0.00 0.00 178.31 177.24 2rqa h SER 585 N 0.00 0.00 0.55 0.41 4.64 -1.74 0.33 113.55 117.73 2rqa h SER 585 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2rqa h SER 585 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2rqa h SER 585 CO 0.04 0.04 -0.31 0.59 -0.87 0.00 0.00 176.83 176.33 2rqa n ASN 586 N -4.30 0.46 -1.06 4.97 3.02 -1.23 -3.32 115.26 113.80 2rqa n ASN 586 Ca -0.03 -0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.41 2rqa n ASN 586 Cb 0.13 0.04 0.19 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.31 0.45 -3.54 3.10 4.01 0.11 -4.81 117.16 115.15 2rqa n TYR 587 Ca 0.08 -0.25 -0.07 0.00 -0.16 0.00 0.00 57.90 57.50 2rqa n TYR 587 Cb 0.33 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.41 -0.28 -0.05 -0.72 -0.85 -0.75 -0.36 117.35 112.92 2rqa s TYR 588 Ca 0.35 0.23 0.02 0.00 -0.52 0.00 0.00 57.07 57.16 2rqa s TYR 588 Cb 0.21 0.52 0.01 0.00 0.38 0.00 0.00 41.96 43.08 2rqa s TYR 588 CO 0.29 -0.41 -0.11 -0.80 -1.52 0.00 0.00 175.55 172.99 2rqa s ASN 589 N -2.19 1.59 0.18 -0.18 0.01 -0.92 -4.62 114.94 108.82 2rqa s ASN 589 Ca 0.05 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.64 2rqa s ASN 589 Cb -0.01 -0.63 -0.08 0.00 0.41 0.00 0.00 41.25 40.94 2rqa s ASN 589 CO -0.06 0.05 1.21 -0.69 -1.51 0.00 0.00 177.10 176.09 2rqa s VAL 590 N 0.50 3.55 1.24 1.60 1.01 -1.26 -3.28 120.40 123.76 2rqa s VAL 590 Ca -0.10 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 2rqa s VAL 590 Cb -0.13 -3.82 0.27 0.00 0.00 0.00 0.00 36.38 32.69 2rqa s VAL 590 CO 0.02 0.20 0.62 -0.24 0.00 0.00 0.00 175.10 175.71 2rqa n SER 591 N 2.58 -2.94 -0.00 3.32 2.88 0.10 -4.93 113.62 114.64 2rqa n SER 591 Ca 0.05 -0.44 -0.18 0.00 -1.33 0.00 0.00 58.87 56.96 2rqa n SER 591 Cb 0.44 -1.02 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 2rqa n SER 591 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2rqa h ARG 592 N -2.90 0.69 -7.06 -1.46 2.43 -1.94 -3.45 114.38 100.68 2rqa h ARG 592 Ca -0.47 -0.63 -0.54 0.00 -0.81 0.00 0.00 59.98 57.53 2rqa h ARG 592 Cb 1.23 0.15 0.13 0.00 -0.42 0.00 0.00 29.97 31.07 2rqa h ARG 592 CO 0.33 1.23 0.56 -0.51 -1.51 0.00 0.00 179.97 180.07 2rqa s ASP 593 N -7.06 5.23 0.00 -3.80 1.11 -1.26 -5.00 116.67 105.89 2rqa s ASP 593 Ca -0.11 2.64 0.00 0.00 0.18 0.00 0.00 52.55 55.26 2rqa s ASP 593 Cb 0.07 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2rqa s ASP 593 CO 0.89 -1.58 0.00 -0.81 1.18 0.00 0.00 175.17 174.85 2rqa n PRO 594 N -1.20 0.00 -3.90 8.23 -0.04 -1.26 -4.56 135.00 132.26 2rqa n PRO 594 Ca 0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.23 2rqa n PRO 594 Cb 0.46 -0.14 -0.09 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 -0.01 4.96 -0.45 0.52 1.01 -1.25 -3.66 120.40 121.52 2rqa s VAL 595 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2rqa s VAL 595 Cb 0.00 -3.25 0.19 0.00 0.00 0.00 0.00 36.38 33.32 2rqa s VAL 595 CO 0.00 0.44 0.41 0.52 0.00 0.00 0.00 175.10 176.47 2rqa n VAL 596 N 3.66 -0.65 -3.88 2.92 0.31 -1.26 -5.10 118.33 114.35 2rqa n VAL 596 Ca -0.16 -3.78 -0.09 0.00 -0.01 0.00 0.00 64.34 60.29 2rqa n VAL 596 Cb 0.52 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 2rqa n VAL 596 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 597 N -0.48 0.12 0.11 2.52 1.01 -1.26 -4.99 121.20 118.22 2rqa s ILE 597 Ca 0.33 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 2rqa s ILE 597 Cb 0.06 -1.48 -0.08 0.00 0.01 0.00 0.00 42.46 40.97 2rqa s ILE 597 CO -0.17 -0.53 1.43 -1.13 0.00 0.00 0.00 174.94 174.54 2rqa h ASN 598 N 2.67 -1.53 -5.54 3.58 -0.73 -2.08 -3.45 115.58 108.50 2rqa h ASN 598 Ca -0.33 0.21 -0.28 0.00 1.87 0.00 0.00 56.30 57.77 2rqa h ASN 598 Cb 1.21 0.64 -0.09 0.00 0.27 0.00 0.00 38.32 40.35 2rqa h ASN 598 CO 0.53 -0.29 -0.23 -1.59 -0.37 0.00 0.00 177.43 175.49 2rqa s LYS 599 N -5.05 1.84 -0.08 6.67 0.00 -1.26 -5.16 119.74 116.71 2rqa s LYS 599 Ca -0.11 -1.74 -0.05 0.00 0.00 0.00 0.00 55.97 54.07 2rqa s LYS 599 Cb 0.07 0.43 -0.04 0.00 0.00 0.00 0.00 37.83 38.29 2rqa s LYS 599 CO 0.48 -0.75 0.13 0.08 0.00 0.00 0.00 175.35 175.29 2rqa s VAL 600 N -3.20 5.29 0.33 1.79 1.01 -1.26 -5.00 120.40 119.36 2rqa s VAL 600 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2rqa s VAL 600 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2rqa s VAL 600 CO 0.20 0.51 0.17 -0.36 0.00 0.00 0.00 175.10 175.62 2rqa s PHE 601 N -1.11 2.77 -0.14 5.22 0.40 -1.25 -5.05 117.98 118.82 2rqa s PHE 601 Ca 0.19 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.03 2rqa s PHE 601 Cb -0.12 -1.63 -0.24 0.00 0.51 0.00 0.00 43.02 41.53 2rqa s PHE 601 CO 0.09 0.33 0.41 0.87 0.70 0.00 0.00 175.22 177.62 2rqa h LYS 602 N 1.50 0.17 -0.99 0.44 6.56 -2.01 -3.35 116.57 118.89 2rqa h LYS 602 Ca -0.44 -0.29 0.35 0.00 -1.06 0.00 0.00 60.65 59.21 2rqa h LYS 602 Cb 1.25 0.11 -0.17 0.00 -0.57 0.00 0.00 32.23 32.85 2rqa h LYS 602 CO 0.62 1.14 0.46 -0.44 -2.06 0.00 0.00 179.45 179.16 2rqa h ASP 603 N -0.44 0.26 -5.06 0.86 3.45 -1.97 -3.42 116.42 110.10 2rqa h ASP 603 Ca -0.34 0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 2rqa h ASP 603 Cb 1.67 0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 40.60 2rqa h ASP 603 CO -0.02 -0.29 0.10 -1.66 -1.57 0.00 0.00 179.24 175.80 2rqa s TRP 604 N -5.67 -0.17 0.16 4.55 1.48 -1.26 -4.61 118.94 113.42 2rqa s TRP 604 Ca -0.10 -0.19 0.09 0.00 -1.06 0.00 0.00 56.10 54.84 2rqa s TRP 604 Cb 0.31 0.48 -0.04 0.00 -1.16 0.00 0.00 33.47 33.06 2rqa s TRP 604 CO 0.78 -0.99 -0.12 -1.59 -4.06 0.00 0.00 176.95 170.97 2rqa s LYS 605 N -3.88 1.96 0.73 3.25 -2.85 -0.09 -3.74 119.74 115.12 2rqa s LYS 605 Ca 0.09 -1.26 -0.11 0.00 -1.00 0.00 0.00 55.97 53.69 2rqa s LYS 605 Cb -0.02 -2.13 0.03 0.00 -2.06 0.00 0.00 37.83 33.64 2rqa s LYS 605 CO -0.01 0.44 1.07 -1.25 0.10 0.00 0.00 175.35 175.70 2rqa s PRO 606 N -2.65 2.68 0.00 1.78 0.04 -1.26 -0.63 135.00 134.96 2rqa s PRO 606 Ca 0.23 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2rqa s PRO 606 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2rqa s PRO 606 CO 0.14 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2rqa n GLY 607 N -2.02 0.45 3.50 0.56 0.00 0.50 -4.72 105.19 103.46 2rqa n GLY 607 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.23 -0.48 0.15 -0.02 0.00 -1.21 -3.91 107.32 100.63 2rqa s GLY 608 Ca 0.00 1.47 -0.34 0.00 0.00 0.00 0.00 44.72 45.85 2rqa s GLY 608 CO 0.00 1.19 1.60 -0.62 0.00 0.00 0.00 173.10 175.27 2rqa n VAL 609 N 1.96 0.04 -3.68 1.40 0.31 -1.26 0.02 118.33 117.12 2rqa n VAL 609 Ca -0.16 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 63.83 2rqa n VAL 609 Cb 0.56 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 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 1.13 5.19 -0.11 2.52 1.01 -1.04 -0.72 121.20 129.17 2rqa s ILE 610 Ca 0.80 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 2rqa s ILE 610 Cb -0.68 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.23 2rqa s ILE 610 CO 0.39 0.21 0.24 -0.94 0.00 0.00 0.00 174.94 174.84 2rqa s SER 611 N -2.02 0.25 -0.24 3.58 1.04 -1.20 -1.62 113.70 113.49 2rqa s SER 611 Ca 0.34 0.52 -0.39 0.00 0.48 0.00 0.00 55.95 56.91 2rqa s SER 611 Cb -0.13 0.54 -0.15 0.00 0.10 0.00 0.00 66.02 66.38 2rqa s SER 611 CO 0.20 -0.22 1.78 0.00 0.98 0.00 0.00 173.24 175.98 2rqa h ARG 613 N 7.67 0.00 -0.09 0.00 2.43 -1.01 1.53 114.38 124.91 2rqa h ARG 613 Ca -0.47 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 2rqa h ARG 613 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.96 0.28 -0.44 -0.91 -1.51 0.00 0.00 179.97 178.35 2rqa h ASN 614 N 0.00 0.21 0.00 -3.80 2.35 -1.87 -3.43 115.58 109.04 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 0.80 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2rqa h ASN 614 CO 0.04 0.62 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 2rqa n GLY 616 N 2.46 0.51 3.46 0.00 0.00 0.52 -4.93 105.19 107.21 2rqa n GLY 616 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.18 -1.49 1.61 4.07 -1.26 -3.84 120.64 119.91 2rqa n GLU 617 Ca 0.00 0.02 -0.53 0.00 -0.06 0.00 0.00 57.16 56.59 2rqa n GLU 617 Cb 0.00 -1.77 -0.07 0.00 -0.06 0.00 0.00 31.44 29.54 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 7.36 0.21 0.11 6.31 0.31 -1.26 -3.13 118.33 128.25 2rqa n VAL 618 Ca 0.59 -0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.61 2rqa n VAL 618 Cb 0.08 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 2rqa n VAL 618 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2rqa h TRP 619 N 10.93 -0.31 0.00 3.52 6.55 -1.58 -3.48 115.95 131.58 2rqa h TRP 619 Ca -0.30 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.53 2rqa h TRP 619 Cb 1.33 0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.73 2rqa h TRP 619 CO 0.92 0.06 0.00 0.41 -1.05 0.00 0.00 178.44 178.79 2rqa n GLY 620 N 0.04 -1.67 3.51 1.49 0.00 -1.22 -3.94 105.19 103.39 2rqa n GLY 620 Ca -0.09 0.79 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.52 -0.00 0.99 -0.00 -1.03 -2.51 118.68 115.62 2rqa s LEU 621 Ca 0.00 0.35 -0.24 0.00 -0.00 0.00 0.00 54.13 54.24 2rqa s LEU 621 Cb 0.00 2.29 -0.05 0.00 -0.00 0.00 0.00 46.19 48.44 2rqa s LEU 621 CO 0.00 -0.63 0.74 -1.58 -0.00 0.00 0.00 176.35 174.88 2rqa s GLN 622 N -2.09 4.46 0.10 1.48 0.74 0.10 0.30 119.66 124.75 2rqa s GLN 622 Ca -0.03 0.98 0.08 0.00 0.05 0.00 0.00 55.36 56.45 2rqa s GLN 622 Cb -0.01 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 2rqa s GLN 622 CO -0.01 0.20 -0.22 -1.64 -0.55 0.00 0.00 175.29 173.08 2rqa s MET 623 N 0.27 1.20 -0.08 1.67 -1.94 0.03 0.19 119.30 120.64 2rqa s MET 623 Ca 0.38 -1.16 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2rqa s MET 623 Cb -0.19 -1.47 -0.01 0.00 2.01 0.00 0.00 34.83 35.17 2rqa s MET 623 CO 0.21 0.35 -0.23 0.42 -0.01 0.00 0.00 175.02 175.75 2rqa s ILE 624 N -1.10 2.16 -0.05 2.53 1.09 0.20 0.35 121.20 126.38 2rqa s ILE 624 Ca 0.07 -1.01 -0.00 0.00 -1.10 0.00 0.00 60.65 58.62 2rqa s ILE 624 Cb -0.10 -1.81 0.03 0.00 -1.06 0.00 0.00 42.46 39.52 2rqa s ILE 624 CO 0.04 0.56 -0.01 -0.47 -0.10 0.00 0.00 174.94 174.96 2rqa s TYR 625 N 0.07 0.61 -1.62 3.97 5.04 -0.57 -0.92 117.35 123.92 2rqa s TYR 625 Ca -0.10 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 2rqa s TYR 625 Cb -0.16 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.48 2rqa s TYR 625 CO 0.06 -0.24 0.00 1.63 -1.34 0.00 0.00 175.55 175.66 2rqa n LYS 626 N 4.61 -1.41 -1.80 4.97 4.76 -1.26 0.01 118.16 128.04 2rqa n LYS 626 Ca -0.16 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2rqa n LYS 626 Cb 0.50 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.47 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 -0.82 -1.39 -4.00 4.39 3.41 -1.26 -5.07 113.62 108.88 2rqa n SER 627 Ca -0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.18 2rqa n SER 627 Cb 0.53 -0.37 -0.17 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.64 1.34 -0.74 -3.33 1.01 0.10 -5.07 120.40 111.07 2rqa s VAL 628 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 2rqa s VAL 628 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2rqa s VAL 628 CO 0.00 0.42 1.78 -0.54 0.00 0.00 0.00 175.10 176.76 2rqa s LYS 629 N 1.32 2.74 -0.24 2.72 -0.14 -1.26 -1.51 119.74 123.37 2rqa s LYS 629 Ca -0.00 0.13 0.02 0.00 -1.36 0.00 0.00 55.97 54.76 2rqa s LYS 629 Cb -0.14 -4.62 0.05 0.00 -1.68 0.00 0.00 37.83 31.45 2rqa s LYS 629 CO -0.06 -2.80 -0.11 -0.51 -0.76 0.00 0.00 175.35 171.11 2rqa s LEU 630 N 8.65 3.04 0.62 3.17 1.43 0.15 -4.80 118.68 130.95 2rqa s LEU 630 Ca 0.62 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 2rqa s LEU 630 Cb -0.09 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2rqa s LEU 630 CO 0.12 -0.18 1.05 -2.16 0.23 0.00 0.00 176.35 175.41 2rqa s PRO 631 N 1.21 3.25 -0.36 1.29 0.04 -1.26 -0.79 135.00 138.38 2rqa s PRO 631 Ca -0.06 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 2rqa s PRO 631 Cb -0.19 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2rqa s PRO 631 CO -0.06 -0.86 0.11 0.08 0.04 0.00 0.00 177.00 176.31 2rqa s VAL 632 N -2.66 3.26 0.44 -0.36 1.01 0.15 -3.70 120.40 118.54 2rqa s VAL 632 Ca 0.61 -1.66 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2rqa s VAL 632 Cb -0.15 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2rqa s VAL 632 CO 0.42 -0.39 0.32 -0.76 0.00 0.00 0.00 175.10 174.69 2rqa s LEU 633 N 1.22 3.17 0.00 3.92 1.43 -1.10 -2.45 118.68 124.87 2rqa s LEU 633 Ca 0.02 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 2rqa s LEU 633 Cb -0.21 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2rqa s LEU 633 CO -0.02 -0.71 0.25 2.29 0.23 0.00 0.00 176.35 178.39 2rqa n LYS 634 N -1.49 0.85 -0.12 1.70 2.85 -1.25 -4.51 118.16 116.18 2rqa n LYS 634 Ca 0.01 -2.96 0.07 0.00 -1.05 0.00 0.00 58.31 54.38 2rqa n LYS 634 Cb 0.63 0.46 0.14 0.00 -0.65 0.00 0.00 35.03 35.61 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2rqa n VAL 635 N -1.44 0.53 0.31 0.58 3.14 -1.26 -4.10 118.33 116.09 2rqa n VAL 635 Ca -0.06 -0.76 0.05 0.00 -2.96 0.00 0.00 64.34 60.60 2rqa n VAL 635 Cb 0.53 0.88 0.06 0.00 -1.06 0.00 0.00 33.84 34.25 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 0.85 0.78 0.00 1.45 1.85 -1.22 -3.67 116.66 116.70 2rqa n ARG 636 Ca 0.12 -1.23 0.00 0.00 -1.00 0.00 0.00 57.85 55.74 2rqa n ARG 636 Cb 0.43 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 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 0.52 0.51 -4.52 2.89 7.64 -1.26 -4.94 113.62 114.46 2rqa n SER 637 Ca 0.06 -0.76 -0.30 0.00 1.01 0.00 0.00 58.87 58.89 2rqa n SER 637 Cb 0.27 0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.47 2.03 -0.13 1.43 -1.94 -1.26 -3.28 119.30 115.69 2rqa s MET 638 Ca 0.00 -1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2rqa s MET 638 Cb 0.00 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.59 2rqa s MET 638 CO 0.00 0.51 -0.13 -1.17 -0.01 0.00 0.00 175.02 174.22 2rqa s LEU 639 N -1.96 2.70 -0.55 -0.03 2.96 0.13 -4.55 118.68 117.38 2rqa s LEU 639 Ca 0.18 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 2rqa s LEU 639 Cb -0.11 -1.61 0.13 0.00 0.50 0.00 0.00 46.19 45.10 2rqa s LEU 639 CO 0.10 0.17 0.53 -0.76 -1.32 0.00 0.00 176.35 175.06 2rqa s LEU 640 N 0.35 6.10 -0.14 -0.68 1.43 -0.80 -1.71 118.68 123.23 2rqa s LEU 640 Ca -0.11 -1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 50.94 2rqa s LEU 640 Cb -0.16 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2rqa s LEU 640 CO 0.06 -0.89 1.33 -1.61 0.23 0.00 0.00 176.35 175.47 2rqa s GLU 641 N 1.72 4.23 0.18 1.70 2.02 -1.16 -1.07 118.70 126.33 2rqa s GLU 641 Ca 0.04 1.76 0.06 0.00 0.02 0.00 0.00 54.97 56.85 2rqa s GLU 641 Cb -0.29 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.11 2rqa s GLU 641 CO 0.03 -0.71 -0.13 0.95 0.02 0.00 0.00 175.26 175.43 2rqa s THR 642 N 3.47 1.51 -2.00 3.63 -4.23 -1.26 -3.17 115.64 113.59 2rqa s THR 642 Ca 0.58 -2.15 0.16 0.00 -1.18 0.00 0.00 61.69 59.10 2rqa s THR 642 Cb -0.24 -1.98 0.46 0.00 1.34 0.00 0.00 72.50 72.08 2rqa s THR 642 CO 0.18 -0.65 1.46 -0.81 -0.54 0.00 0.00 174.62 174.25 2rqa n PRO 643 N -0.31 0.75 0.00 3.99 -0.04 -1.26 -1.91 135.00 136.22 2rqa n PRO 643 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2rqa n PRO 643 Cb 0.60 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.84 0.16 0.00 0.54 6.02 -1.26 -5.07 117.38 116.94 2rqa n GLN 644 Ca 0.12 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 2rqa n GLN 644 Cb 0.06 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.36 3.80 3.46 1.08 0.00 -0.80 -5.06 105.19 108.02 2rqa n GLY 645 Ca 0.03 -1.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 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 0.20 0.59 -5.13 1.61 1.74 -1.26 -4.29 116.66 110.12 2rqa n ARG 646 Ca 0.00 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 2rqa n ARG 646 Cb 0.00 -1.42 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.24 1.84 -0.17 0.55 1.01 -0.23 -4.92 121.20 118.03 2rqa s ILE 647 Ca 0.62 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2rqa s ILE 647 Cb -0.72 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.25 2rqa s ILE 647 CO 0.58 0.52 0.02 -1.58 0.00 0.00 0.00 174.94 174.48 2rqa s GLN 648 N -0.23 0.74 0.56 2.79 -0.44 -1.26 -1.90 119.66 119.91 2rqa s GLN 648 Ca 0.00 -0.34 0.04 0.00 -2.50 0.00 0.00 55.36 52.57 2rqa s GLN 648 Cb -0.12 -1.89 0.04 0.00 -1.64 0.00 0.00 33.01 29.41 2rqa s GLN 648 CO 0.02 -0.55 0.35 0.00 0.50 0.00 0.00 175.29 175.61 2rqa s ALA 649 N 1.85 4.48 -0.04 1.58 0.00 -1.24 -5.05 121.76 123.34 2rqa s ALA 649 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.08 2rqa s ALA 649 Cb -0.16 -0.61 -0.12 0.00 0.00 0.00 0.00 23.12 22.23 2rqa s ALA 649 CO -0.07 -0.40 0.13 1.63 0.00 0.00 0.00 175.76 177.04 2rqa n LYS 650 N -1.73 1.22 -4.71 0.00 5.02 -1.26 -3.37 118.16 113.33 2rqa n LYS 650 Ca -0.05 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 2rqa n LYS 650 Cb 0.65 -1.21 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.44 1.42 0.37 1.97 3.01 -1.26 -4.28 119.74 118.53 2rqa s LYS 651 Ca -0.04 -0.88 0.27 0.00 -1.01 0.00 0.00 55.97 54.31 2rqa s LYS 651 Cb 0.04 -1.49 1.30 0.00 -1.01 0.00 0.00 37.83 36.67 2rqa s LYS 651 CO 0.35 0.39 1.81 -1.49 0.51 0.00 0.00 175.35 176.92 2rqa h TRP 652 N 5.05 0.00 0.00 3.18 4.06 -1.94 -0.29 115.95 126.01 2rqa h TRP 652 Ca -0.41 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.54 2rqa h TRP 652 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2rqa h TRP 652 CO 0.48 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.79 2rqa n SER 653 N -2.46 0.11 -0.06 -3.49 7.64 -1.26 -1.44 113.62 112.66 2rqa n SER 653 Ca -0.00 0.54 -0.04 0.00 1.01 0.00 0.00 58.87 60.38 2rqa n SER 653 Cb 0.14 -0.56 -0.13 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.64 1.07 -1.66 1.43 5.12 -0.12 -4.98 116.66 115.88 2rqa n ARG 654 Ca 0.02 -0.05 -0.64 0.00 -1.93 0.00 0.00 57.85 55.24 2rqa n ARG 654 Cb 0.10 -1.43 -0.09 0.00 -1.16 0.00 0.00 32.46 29.88 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 -2.49 0.01 -0.03 1.55 0.31 -0.52 -4.85 118.33 112.31 2rqa n VAL 655 Ca -0.21 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 2rqa n VAL 655 Cb 0.89 -0.35 -0.11 0.00 -0.91 0.00 0.00 33.84 33.36 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 4.36 0.10 -7.07 5.55 0.13 -1.92 -3.45 132.00 129.70 2rqa h PRO 656 Ca -0.47 -0.10 -0.53 0.00 -0.87 0.00 0.00 66.00 64.03 2rqa h PRO 656 Cb 1.39 0.02 0.12 0.00 0.13 0.00 0.00 31.00 32.66 2rqa h PRO 656 CO 0.86 0.82 0.52 -0.59 -0.23 0.00 0.00 178.00 179.39 2rqa s PHE 657 N -3.25 2.41 0.22 1.56 -0.12 -1.25 -4.75 117.98 112.80 2rqa s PHE 657 Ca -0.16 1.47 -0.30 0.00 -0.05 0.00 0.00 56.93 57.89 2rqa s PHE 657 Cb 0.00 -3.58 -0.08 0.00 -0.63 0.00 0.00 43.02 38.73 2rqa s PHE 657 CO 0.71 -2.37 1.03 -1.54 -0.05 0.00 0.00 175.22 173.00 2rqa s SER 658 N -1.33 7.42 -0.36 1.98 1.04 -1.26 -4.98 113.70 116.20 2rqa s SER 658 Ca 0.74 2.07 0.03 0.00 0.48 0.00 0.00 55.95 59.26 2rqa s SER 658 Cb -0.34 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.27 2rqa s SER 658 CO 0.38 -0.06 0.09 -0.69 0.98 0.00 0.00 173.24 173.94 2rqa s VAL 659 N -0.79 2.50 0.43 5.02 1.01 -1.26 -4.83 120.40 122.47 2rqa s VAL 659 Ca 0.45 -2.31 -0.23 0.00 0.00 0.00 0.00 61.98 59.89 2rqa s VAL 659 Cb -0.28 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2rqa s VAL 659 CO 0.35 -0.62 1.05 -2.16 0.00 0.00 0.00 175.10 173.72 2rqa s PRO 660 N 0.92 4.04 0.39 2.72 0.04 -1.26 -4.63 135.00 137.22 2rqa s PRO 660 Ca 0.11 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 2rqa s PRO 660 Cb -0.20 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 2rqa s PRO 660 CO -0.07 -0.24 1.05 -0.51 0.04 0.00 0.00 177.00 177.27 2rqa s ASP 661 N -1.70 6.79 0.40 6.66 1.01 -1.26 0.71 116.67 129.29 2rqa s ASP 661 Ca 0.61 2.05 -0.27 0.00 0.71 0.00 0.00 52.55 55.66 2rqa s ASP 661 Cb -0.20 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.04 2rqa s ASP 661 CO 0.25 -0.47 1.44 0.12 0.21 0.00 0.00 175.17 176.72 2rqa s PHE 662 N -1.62 2.58 -0.41 4.23 2.19 0.16 -4.57 117.98 120.53 2rqa s PHE 662 Ca 0.57 1.23 0.01 0.00 0.33 0.00 0.00 56.93 59.08 2rqa s PHE 662 Cb -0.23 -3.94 0.14 0.00 -1.31 0.00 0.00 43.02 37.68 2rqa s PHE 662 CO 0.28 -2.85 0.23 0.16 1.83 0.00 0.00 175.22 174.87 2rqa s ASP 663 N -0.34 3.42 0.39 6.13 3.84 -1.26 -4.81 116.67 124.04 2rqa s ASP 663 Ca 0.56 -2.48 0.23 0.00 -0.00 0.00 0.00 52.55 50.86 2rqa s ASP 663 Cb -0.45 -0.82 1.31 0.00 -1.38 0.00 0.00 42.92 41.59 2rqa s ASP 663 CO 0.59 -0.28 1.62 0.15 -0.00 0.00 0.00 175.17 177.25 2rqa h PHE 664 N 6.82 0.73 -0.17 2.11 3.57 -1.94 0.53 116.94 128.58 2rqa h PHE 664 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2rqa h PHE 664 Cb 0.94 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 2rqa h PHE 664 CO 0.47 -0.29 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.66 2rqa h LEU 665 N 0.12 -1.68 0.14 0.59 3.38 -1.97 0.99 115.31 116.87 2rqa h LEU 665 Ca 0.81 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.98 2rqa h LEU 665 Cb 2.24 0.66 0.00 0.00 0.09 0.00 0.00 40.66 43.66 2rqa h LEU 665 CO -0.58 -0.47 -0.07 -0.61 0.09 0.00 0.00 178.44 176.80 2rqa h GLN 666 N -0.55 -0.18 -1.23 1.13 5.75 -0.91 -0.03 115.11 119.09 2rqa h GLN 666 Ca 0.05 0.01 0.36 0.00 -0.15 0.00 0.00 58.65 58.91 2rqa h GLN 666 Cb 0.67 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.21 2rqa h GLN 666 CO -0.45 0.18 1.06 1.25 -2.65 0.00 0.00 178.83 178.21 2rqa h HIS 667 N -0.96 0.00 0.11 3.99 2.76 -0.09 1.73 115.15 122.69 2rqa h HIS 667 Ca -0.02 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.83 2rqa h HIS 667 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2rqa h HIS 667 CO 0.08 0.00 -1.68 0.00 -1.30 0.00 0.00 177.93 175.03 2rqa n ALA 669 N -3.03 1.41 0.27 0.00 0.00 0.50 0.28 120.51 119.94 2rqa n ALA 669 Ca -0.29 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.20 2rqa n ALA 669 Cb 0.95 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 19.21 2rqa n ALA 669 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rqa n GLU 670 N -1.73 1.01 -0.00 0.00 1.02 0.38 -4.46 120.64 116.85 2rqa n GLU 670 Ca 0.02 -0.70 0.05 0.00 -0.02 0.00 0.00 57.16 56.51 2rqa n GLU 670 Cb 0.12 -1.05 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rqa n ASN 671 N 0.04 1.54 -3.82 1.62 5.03 -0.04 -5.01 115.26 114.61 2rqa n ASN 671 Ca 0.03 -0.38 -0.13 0.00 0.87 0.00 0.00 54.58 54.97 2rqa n ASN 671 Cb 0.15 1.22 0.03 0.00 -1.02 0.00 0.00 39.78 40.16 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -1.53 0.00 -0.10 3.41 4.77 0.14 -5.03 117.00 118.67 2rqa n LEU 672 Ca 0.00 -1.63 0.01 0.00 -0.03 0.00 0.00 56.01 54.36 2rqa n LEU 672 Cb 0.20 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2rqa n LEU 672 CO 0.20 -0.58 0.36 -1.20 -1.33 0.00 0.00 177.39 174.84 2rqa n SER 673 N -2.38 1.50 0.04 -1.43 7.64 -1.26 -4.62 113.62 113.10 2rqa n SER 673 Ca 0.07 -1.37 0.22 0.00 1.01 0.00 0.00 58.87 58.79 2rqa n SER 673 Cb 0.38 -0.01 0.67 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.44 0.00 0.06 6.43 3.58 -1.92 0.28 116.42 125.29 2rqa h ASP 674 Ca 0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 2rqa h ASP 674 Cb 0.23 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2rqa h ASP 674 CO 0.00 0.00 -1.57 -0.07 -2.88 0.00 0.00 179.24 174.72 2rqa h LEU 675 N 0.00 0.21 -7.00 2.28 -0.00 -1.85 -3.49 115.31 105.46 2rqa h LEU 675 Ca 0.25 -0.72 0.15 0.00 -0.00 0.00 0.00 57.88 57.55 2rqa h LEU 675 Cb 1.48 -0.07 -0.28 0.00 -0.00 0.00 0.00 40.66 41.79 2rqa h LEU 675 CO -0.00 1.66 0.72 -0.44 -0.00 0.00 0.00 178.44 180.37 2rqa s SER 676 N -6.95 -0.22 0.06 -0.43 0.01 0.98 -5.05 113.70 102.09 2rqa s SER 676 Ca -0.25 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 2rqa s SER 676 Cb 0.06 0.33 -0.17 0.00 0.21 0.00 0.00 66.02 66.45 2rqa s SER 676 CO 0.68 -0.12 1.57 -0.07 0.41 0.00 0.00 173.24 175.71 2rqa h LEU 677 N 3.08 -0.27 0.00 2.44 3.38 -1.93 -3.39 115.31 118.63 2rqa h LEU 677 Ca -0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2rqa h LEU 677 Cb 1.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2rqa h LEU 677 CO 0.19 -0.09 0.00 -0.67 0.09 0.00 0.00 178.44 177.96