#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 4.30 0.48 1.61 0.04 -1.26 -5.02 135.00 135.15 2rqa s PRO 543 Ca 0.00 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 2rqa s PRO 543 Cb 0.00 -3.63 -0.00 0.00 0.04 0.00 0.00 34.50 30.91 2rqa s PRO 543 CO 0.00 -0.55 0.72 -1.01 0.04 0.00 0.00 177.00 176.20 2rqa s HIS 544 N 2.69 3.22 -1.04 0.56 3.76 -1.26 -5.02 115.29 118.20 2rqa s HIS 544 Ca 0.56 0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 55.76 2rqa s HIS 544 Cb -0.24 -2.41 0.31 0.00 1.11 0.00 0.00 32.58 31.34 2rqa s HIS 544 CO 0.20 -0.47 1.50 -1.33 -0.85 0.00 0.00 174.74 173.79 2rqa n MET 545 N -2.19 4.54 -4.88 1.40 2.81 -1.26 -4.98 117.12 112.55 2rqa n MET 545 Ca 0.02 -4.59 -0.26 0.00 -1.81 0.00 0.00 57.70 51.06 2rqa n MET 545 Cb 0.58 -2.48 -0.15 0.00 -0.71 0.00 0.00 33.22 30.45 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 -3.08 1.53 -0.28 0.03 -0.21 -1.26 -5.11 119.66 111.28 2rqa s GLN 546 Ca 0.33 -0.74 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 2rqa s GLN 546 Cb 0.08 -1.51 0.14 0.00 1.00 0.00 0.00 33.01 32.72 2rqa s GLN 546 CO 0.06 0.41 0.34 -0.06 -2.12 0.00 0.00 175.29 173.92 2rqa s PHE 547 N -0.52 -0.69 0.22 0.91 0.40 -1.26 -4.98 117.98 112.06 2rqa s PHE 547 Ca 0.07 0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 2rqa s PHE 547 Cb -0.08 -0.28 -0.08 0.00 0.51 0.00 0.00 43.02 43.09 2rqa s PHE 547 CO -0.00 -0.88 1.10 -1.25 0.70 0.00 0.00 175.22 174.88 2rqa s PRO 548 N 2.45 4.62 0.32 0.24 0.04 -1.26 -3.93 135.00 137.47 2rqa s PRO 548 Ca 0.10 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.98 2rqa s PRO 548 Cb -0.14 -3.24 0.87 0.00 0.04 0.00 0.00 34.50 32.03 2rqa s PRO 548 CO -0.28 0.14 1.73 -0.39 0.04 0.00 0.00 177.00 178.23 2rqa h VAL 549 N 3.45 0.53 -0.63 -0.36 -1.51 -1.88 1.08 116.25 116.93 2rqa h VAL 549 Ca -0.45 -0.19 0.07 0.00 -1.23 0.00 0.00 66.70 64.89 2rqa h VAL 549 Cb 1.21 -0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 2rqa h VAL 549 CO 0.70 0.10 0.42 1.05 -1.23 0.00 0.00 177.57 178.61 2rqa h GLU 550 N 0.56 0.59 0.00 5.19 4.11 -1.91 0.28 114.58 123.40 2rqa h GLU 550 Ca 0.64 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2rqa h GLU 550 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2rqa h GLU 550 CO -0.48 0.39 -0.22 0.45 0.07 0.00 0.00 179.01 179.21 2rqa h HIS 551 N 0.61 0.00 -3.38 2.06 3.86 0.76 -3.44 115.15 115.62 2rqa h HIS 551 Ca 0.27 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.89 2rqa h HIS 551 Cb 0.30 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.67 2rqa h HIS 551 CO -0.00 0.00 -0.23 0.08 0.86 0.00 0.00 177.93 178.63 2rqa s VAL 552 N -3.17 5.24 0.01 2.45 1.01 0.99 -4.23 120.40 122.70 2rqa s VAL 552 Ca 0.08 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2rqa s VAL 552 Cb 0.10 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2rqa s VAL 552 CO 0.66 0.32 -0.21 -1.58 0.00 0.00 0.00 175.10 174.29 2rqa s GLN 553 N 0.84 2.11 -0.37 2.72 0.74 -1.22 -0.87 119.66 123.61 2rqa s GLN 553 Ca 0.20 -0.93 -0.26 0.00 0.05 0.00 0.00 55.36 54.41 2rqa s GLN 553 Cb -0.14 -2.14 0.02 0.00 1.10 0.00 0.00 33.01 31.84 2rqa s GLN 553 CO 0.07 0.56 0.94 -0.51 -0.55 0.00 0.00 175.29 175.79 2rqa s LEU 554 N -1.01 3.99 0.34 3.68 1.43 -0.59 -3.20 118.68 123.32 2rqa s LEU 554 Ca 0.12 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 2rqa s LEU 554 Cb -0.10 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2rqa s LEU 554 CO 0.02 -0.88 0.19 -0.76 0.23 0.00 0.00 176.35 175.15 2rqa s LEU 555 N 3.52 1.77 -0.46 1.79 1.02 -0.91 0.49 118.68 125.90 2rqa s LEU 555 Ca 0.38 -1.66 -0.14 0.00 0.02 0.00 0.00 54.13 52.74 2rqa s LEU 555 Cb -0.12 0.25 0.07 0.00 0.02 0.00 0.00 46.19 46.42 2rqa s LEU 555 CO 0.19 -0.96 0.36 0.00 0.02 0.00 0.00 176.35 175.96 2rqa n ILE 557 N 5.12 -0.17 -0.03 0.00 -5.35 -1.13 0.26 119.36 118.06 2rqa n ILE 557 Ca -0.12 1.29 -0.00 0.00 -0.27 0.00 0.00 62.75 63.65 2rqa n ILE 557 Cb 0.43 -2.12 -0.00 0.00 -1.74 0.00 0.00 39.64 36.21 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 -0.03 0.00 7.28 4.21 -1.91 -3.42 115.58 121.71 2rqa h ASN 558 Ca 0.64 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.15 2rqa h ASN 558 Cb 2.11 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 39.32 2rqa h ASN 558 CO -0.31 0.39 0.00 0.00 -1.29 0.00 0.00 177.43 176.21 2rqa n MET 560 N -1.76 -1.02 0.00 0.00 2.81 0.72 -4.85 117.12 113.02 2rqa n MET 560 Ca 0.00 0.11 0.07 0.00 -1.81 0.00 0.00 57.70 56.07 2rqa n MET 560 Cb 0.00 -2.95 0.01 0.00 -0.71 0.00 0.00 33.22 29.58 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 -2.53 0.00 -1.17 2.03 0.24 -1.26 -4.84 118.33 110.81 2rqa n VAL 561 Ca -0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2rqa n VAL 561 Cb 0.51 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 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 0.06 -2.39 1.03 2.33 0.00 -1.26 -4.97 120.51 115.31 2rqa n ALA 562 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2rqa n ALA 562 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 -3.00 0.00 0.24 0.18 -4.93 118.33 111.05 2rqa n VAL 563 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2rqa n VAL 563 Cb 0.00 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.63 3.23 7.63 0.00 0.06 -4.65 105.19 112.25 2rqa n GLY 564 Ca 0.09 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.00 1.69 -0.55 1.61 3.76 -1.26 -1.54 115.29 116.00 2rqa s HIS 565 Ca 0.00 -0.37 0.25 0.00 -0.15 0.00 0.00 55.06 54.79 2rqa s HIS 565 Cb 0.00 -1.00 0.93 0.00 1.11 0.00 0.00 32.58 33.62 2rqa s HIS 565 CO 0.00 0.09 1.74 0.41 -0.85 0.00 0.00 174.74 176.13 2rqa n GLY 566 N 1.80 -1.45 0.98 -2.22 0.00 -0.05 -2.09 105.19 102.17 2rqa n GLY 566 Ca -0.17 0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rqa n SER 567 N -2.29 3.34 -0.01 1.61 3.41 -1.20 -4.18 113.62 114.30 2rqa n SER 567 Ca 0.03 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.73 2rqa n SER 567 Cb 0.31 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.12 2.26 -4.86 4.04 10.43 -0.89 -4.97 116.55 123.69 2rqa n ASP 568 Ca 0.17 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.22 2rqa n ASP 568 Cb 0.52 1.47 -0.03 0.00 1.84 0.00 0.00 41.12 44.92 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 -3.93 3.63 -0.06 0.64 0.05 -1.12 -3.94 118.68 113.95 2rqa s LEU 569 Ca -0.04 1.41 -0.11 0.00 0.05 0.00 0.00 54.13 55.44 2rqa s LEU 569 Cb 0.07 -4.35 0.02 0.00 -2.05 0.00 0.00 46.19 39.88 2rqa s LEU 569 CO 0.49 -0.57 0.26 -0.13 -0.55 0.00 0.00 176.35 175.85 2rqa s ARG 570 N -4.18 0.45 0.68 1.48 0.52 -0.28 -4.48 118.95 113.14 2rqa s ARG 570 Ca 0.56 0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.73 2rqa s ARG 570 Cb -0.10 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.58 2rqa s ARG 570 CO 0.35 -0.09 1.07 0.21 0.02 0.00 0.00 175.30 176.85 2rqa s LYS 571 N -0.55 2.89 -0.23 3.54 2.20 0.24 -2.55 119.74 125.28 2rqa s LYS 571 Ca -0.07 1.10 0.02 0.00 -0.36 0.00 0.00 55.97 56.66 2rqa s LYS 571 Cb -0.04 -1.98 0.05 0.00 -1.51 0.00 0.00 37.83 34.35 2rqa s LYS 571 CO 0.02 -1.15 -0.11 0.08 -0.36 0.00 0.00 175.35 173.83 2rqa s VAL 572 N -2.81 1.92 -1.06 4.02 1.01 -1.20 0.19 120.40 122.46 2rqa s VAL 572 Ca 0.61 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2rqa s VAL 572 Cb -0.16 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.33 2rqa s VAL 572 CO 0.49 0.10 0.35 -1.84 0.00 0.00 0.00 175.10 174.21 2rqa n GLU 573 N 4.56 -2.41 -4.21 2.72 0.28 -1.26 0.43 120.64 120.74 2rqa n GLU 573 Ca -0.15 0.23 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 2rqa n GLU 573 Cb 0.45 -4.83 -0.04 0.00 1.43 0.00 0.00 31.44 28.44 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 -0.92 -0.34 0.49 -1.84 0.00 -1.26 -4.83 105.19 96.49 2rqa n GLY 574 Ca 0.03 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.38 0.82 -3.64 2.61 -1.04 0.17 -5.06 114.28 103.76 2rqa n THR 575 Ca -0.07 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 61.61 2rqa n THR 575 Cb 0.56 -1.63 -0.07 0.00 -1.82 0.00 0.00 70.33 67.37 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 -2.27 -0.89 0.09 -1.42 3.76 -1.24 -5.03 115.29 108.29 2rqa s HIS 576 Ca -0.21 1.95 -0.31 0.00 -0.15 0.00 0.00 55.06 56.35 2rqa s HIS 576 Cb 0.08 0.43 -0.09 0.00 1.11 0.00 0.00 32.58 34.11 2rqa s HIS 576 CO 0.27 -0.44 1.65 -1.01 -0.85 0.00 0.00 174.74 174.36 2rqa s HIS 577 N 0.97 2.52 -0.08 1.40 0.09 -1.26 -3.25 115.29 115.68 2rqa s HIS 577 Ca -0.05 0.35 0.01 0.00 -0.00 0.00 0.00 55.06 55.37 2rqa s HIS 577 Cb -0.05 -3.97 0.02 0.00 -0.00 0.00 0.00 32.58 28.57 2rqa s HIS 577 CO -0.09 -3.86 -0.09 0.14 -0.00 0.00 0.00 174.74 170.83 2rqa s VAL 578 N 2.37 0.99 -0.24 -0.90 -7.23 -1.06 -3.77 120.40 110.56 2rqa s VAL 578 Ca 0.74 -0.35 -0.18 0.00 -1.81 0.00 0.00 61.98 60.38 2rqa s VAL 578 Cb -0.41 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2rqa s VAL 578 CO 0.32 0.34 0.50 0.21 -0.31 0.00 0.00 175.10 176.16 2rqa s ASN 579 N 1.06 6.45 -0.05 4.85 3.04 -1.15 -1.13 114.94 128.01 2rqa s ASN 579 Ca -0.08 0.54 -0.13 0.00 0.04 0.00 0.00 52.86 53.23 2rqa s ASN 579 Cb -0.14 -2.28 -0.05 0.00 -1.54 0.00 0.00 41.25 37.24 2rqa s ASN 579 CO -0.01 -0.24 0.34 -0.69 -3.04 0.00 0.00 177.10 173.45 2rqa s VAL 580 N 2.09 5.18 0.00 -5.21 1.01 -1.25 -4.00 120.40 118.21 2rqa s VAL 580 Ca 0.21 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2rqa s VAL 580 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2rqa s VAL 580 CO 0.09 0.56 0.00 -3.20 0.00 0.00 0.00 175.10 172.55 2rqa n ASN 581 N 2.15 0.00 0.18 3.32 2.85 -1.26 -4.59 115.26 117.90 2rqa n ASN 581 Ca -0.15 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.38 2rqa n ASN 581 Cb 0.53 0.00 0.26 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 -0.00 1.20 0.13 -1.96 -2.58 132.00 128.78 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 0.37 -0.01 0.09 -0.23 0.00 0.00 178.00 178.22 2rqa n ASN 583 N -3.37 0.12 0.09 1.44 3.02 -1.26 -3.18 115.26 112.12 2rqa n ASN 583 Ca 0.01 -0.82 -0.06 0.00 -0.03 0.00 0.00 54.58 53.68 2rqa n ASN 583 Cb 0.57 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.18 0.12 -0.10 3.10 3.57 -1.72 -3.05 116.94 119.04 2rqa h PHE 584 Ca 0.00 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2rqa h PHE 584 Cb 0.11 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2rqa h PHE 584 CO 0.00 0.87 0.09 0.77 -2.23 0.00 0.00 178.31 177.81 2rqa h SER 585 N 0.05 0.00 0.90 0.41 0.02 -1.71 0.58 113.55 113.79 2rqa h SER 585 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2rqa h SER 585 Cb 1.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2rqa h SER 585 CO 0.12 0.00 -0.50 0.59 -1.14 0.00 0.00 176.83 175.89 2rqa n ASN 586 N -4.06 0.66 -0.97 3.07 5.03 -1.16 -3.37 115.26 114.47 2rqa n ASN 586 Ca -0.01 0.15 0.10 0.00 0.87 0.00 0.00 54.58 55.70 2rqa n ASN 586 Cb 0.20 0.02 0.27 0.00 -1.02 0.00 0.00 39.78 39.25 2rqa n ASN 586 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rqa n TYR 587 N -2.03 0.53 -3.52 3.10 4.01 0.20 -4.73 117.16 114.71 2rqa n TYR 587 Ca 0.04 -0.27 -0.08 0.00 -0.16 0.00 0.00 57.90 57.43 2rqa n TYR 587 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.47 -0.34 -0.07 -0.72 -0.85 -0.84 -0.21 117.35 112.86 2rqa s TYR 588 Ca 0.37 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.19 2rqa s TYR 588 Cb 0.20 0.52 0.02 0.00 0.38 0.00 0.00 41.96 43.09 2rqa s TYR 588 CO 0.28 -0.49 -0.05 -0.80 -1.52 0.00 0.00 175.55 172.97 2rqa s ASN 589 N -2.25 1.52 0.51 -0.18 0.01 -0.93 -4.67 114.94 108.95 2rqa s ASN 589 Ca 0.04 -0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 51.82 2rqa s ASN 589 Cb -0.01 -0.58 -0.07 0.00 0.41 0.00 0.00 41.25 41.00 2rqa s ASN 589 CO -0.07 -0.10 1.08 -0.69 -1.51 0.00 0.00 177.10 175.81 2rqa s VAL 590 N 1.39 3.54 1.34 1.60 1.01 -1.26 -3.48 120.40 124.53 2rqa s VAL 590 Ca -0.03 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 2rqa s VAL 590 Cb -0.13 -3.39 0.34 0.00 0.00 0.00 0.00 36.38 33.20 2rqa s VAL 590 CO -0.03 -0.20 0.96 -0.55 0.00 0.00 0.00 175.10 175.28 2rqa s SER 591 N -1.88 -0.41 0.04 3.32 0.15 -1.10 -4.94 113.70 108.88 2rqa s SER 591 Ca 0.69 1.17 -0.19 0.00 0.70 0.00 0.00 55.95 58.32 2rqa s SER 591 Cb -0.20 -1.75 -0.10 0.00 -1.71 0.00 0.00 66.02 62.26 2rqa s SER 591 CO 0.23 -5.01 1.29 -0.09 1.20 0.00 0.00 173.24 170.86 2rqa h ARG 592 N -3.17 -0.58 -6.82 5.44 2.43 -1.95 -3.43 114.38 106.30 2rqa h ARG 592 Ca -0.53 0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 2rqa h ARG 592 Cb 1.34 0.13 0.17 0.00 -0.42 0.00 0.00 29.97 31.20 2rqa h ARG 592 CO 0.38 -0.38 0.02 -0.25 -1.51 0.00 0.00 179.97 178.22 2rqa n ASP 593 N -3.93 0.30 0.00 -3.80 8.00 -1.26 -4.98 116.55 110.88 2rqa n ASP 593 Ca -0.07 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.16 2rqa n ASP 593 Cb 0.26 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 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 -1.18 0.00 -4.42 -0.24 -0.04 -1.26 -4.88 135.00 122.98 2rqa n PRO 594 Ca 0.13 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.45 2rqa n PRO 594 Cb 0.48 -0.79 -0.17 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.66 1.74 -0.38 0.52 1.01 -1.25 -3.68 120.40 117.70 2rqa s VAL 595 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2rqa s VAL 595 Cb 0.00 -1.58 0.13 0.00 0.00 0.00 0.00 36.38 34.93 2rqa s VAL 595 CO 0.00 0.49 0.20 -0.69 0.00 0.00 0.00 175.10 175.10 2rqa s VAL 596 N 1.05 0.80 0.15 2.92 1.01 -1.26 -5.08 120.40 119.99 2rqa s VAL 596 Ca -0.04 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.95 2rqa s VAL 596 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2rqa s VAL 596 CO -0.04 -0.89 0.02 -0.63 0.00 0.00 0.00 175.10 173.56 2rqa s ILE 597 N 0.87 0.42 -0.19 2.22 -1.09 -1.26 -5.00 121.20 117.17 2rqa s ILE 597 Ca 0.16 -1.94 -0.21 0.00 -2.23 0.00 0.00 60.65 56.42 2rqa s ILE 597 Cb -0.23 -2.07 -0.19 0.00 -1.58 0.00 0.00 42.46 38.40 2rqa s ILE 597 CO -0.04 -0.49 0.28 -1.13 -1.23 0.00 0.00 174.94 172.33 2rqa h ASN 598 N 2.78 0.00 -3.90 3.58 -1.24 -2.04 -3.46 115.58 111.29 2rqa h ASN 598 Ca -0.36 -0.54 -0.69 0.00 0.71 0.00 0.00 56.30 55.42 2rqa h ASN 598 Cb 1.20 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 40.02 2rqa h ASN 598 CO 0.61 1.32 -0.76 -0.75 -1.29 0.00 0.00 177.43 176.56 2rqa s LYS 599 N -2.31 2.65 0.11 6.67 2.36 -1.26 -5.12 119.74 122.84 2rqa s LYS 599 Ca -0.25 -0.68 -0.01 0.00 -2.55 0.00 0.00 55.97 52.48 2rqa s LYS 599 Cb 0.04 -2.43 -0.04 0.00 -1.05 0.00 0.00 37.83 34.34 2rqa s LYS 599 CO 0.57 0.57 0.27 0.08 1.55 0.00 0.00 175.35 178.39 2rqa s VAL 600 N -0.58 5.31 0.39 4.02 1.01 -1.26 -4.97 120.40 124.31 2rqa s VAL 600 Ca 0.08 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2rqa s VAL 600 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2rqa s VAL 600 CO 0.01 0.05 0.53 -0.36 0.00 0.00 0.00 175.10 175.33 2rqa s PHE 601 N -1.61 2.93 -0.07 5.22 0.40 -1.25 -5.07 117.98 118.53 2rqa s PHE 601 Ca 0.37 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2rqa s PHE 601 Cb -0.12 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 2rqa s PHE 601 CO 0.27 -0.26 -0.18 1.63 0.70 0.00 0.00 175.22 177.39 2rqa n LYS 602 N -1.77 0.27 -0.67 0.44 4.76 -1.26 -4.49 118.16 115.44 2rqa n LYS 602 Ca 0.05 0.11 0.52 0.00 -2.87 0.00 0.00 58.31 56.11 2rqa n LYS 602 Cb 0.59 -0.93 0.81 0.00 -1.84 0.00 0.00 35.03 33.66 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 -0.50 0.00 -5.11 4.39 5.19 -1.99 -3.40 116.42 114.99 2rqa h ASP 603 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2rqa h ASP 603 Cb 0.50 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 2rqa h ASP 603 CO 0.00 0.00 0.14 -1.66 -3.12 0.00 0.00 179.24 174.60 2rqa s TRP 604 N -4.86 0.19 0.17 4.55 1.48 -1.26 -4.87 118.94 114.34 2rqa s TRP 604 Ca -0.05 -0.70 0.08 0.00 -1.06 0.00 0.00 56.10 54.37 2rqa s TRP 604 Cb 0.26 0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 33.11 2rqa s TRP 604 CO 0.88 -1.33 -0.04 -1.59 -4.06 0.00 0.00 176.95 170.81 2rqa s LYS 605 N -3.15 2.28 0.29 3.25 -2.85 -0.16 -3.94 119.74 115.47 2rqa s LYS 605 Ca 0.17 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.72 2rqa s LYS 605 Cb -0.04 -2.30 -0.09 0.00 -2.06 0.00 0.00 37.83 33.34 2rqa s LYS 605 CO 0.11 0.46 1.08 -1.25 0.10 0.00 0.00 175.35 175.84 2rqa s PRO 606 N -2.82 4.59 0.00 1.78 0.04 -1.26 -2.06 135.00 135.26 2rqa s PRO 606 Ca 0.26 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2rqa s PRO 606 Cb -0.09 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2rqa s PRO 606 CO 0.17 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.81 2rqa n GLY 607 N 1.09 0.49 3.07 0.56 0.00 0.48 -4.69 105.19 106.18 2rqa n GLY 607 Ca -0.00 0.00 -0.08 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 0.00 0.33 0.22 -0.02 0.00 -1.23 -3.93 107.32 102.70 2rqa s GLY 608 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 44.72 43.51 2rqa s GLY 608 CO 0.00 -1.00 1.39 -0.62 0.00 0.00 0.00 173.10 172.87 2rqa n VAL 609 N 0.61 0.87 -4.44 1.40 0.31 -1.26 0.16 118.33 115.98 2rqa n VAL 609 Ca -0.18 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 2rqa n VAL 609 Cb 0.59 -1.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.02 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 -0.00 3.75 -0.07 2.52 1.01 -1.06 -2.70 121.20 124.65 2rqa s ILE 610 Ca 0.70 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 2rqa s ILE 610 Cb -0.68 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.19 2rqa s ILE 610 CO 0.49 0.41 0.04 -0.44 0.00 0.00 0.00 174.94 175.44 2rqa s SER 611 N -1.39 1.46 -0.30 3.58 0.01 -1.23 -1.82 113.70 114.02 2rqa s SER 611 Ca 0.17 -0.06 -0.40 0.00 1.31 0.00 0.00 55.95 56.97 2rqa s SER 611 Cb -0.11 -0.29 -0.16 0.00 0.21 0.00 0.00 66.02 65.67 2rqa s SER 611 CO 0.07 -0.23 1.78 0.00 0.41 0.00 0.00 173.24 175.27 2rqa h ARG 613 N 7.51 0.00 -0.62 0.00 2.43 -0.88 1.49 114.38 124.30 2rqa h ARG 613 Ca -0.45 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 2rqa h ARG 613 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.97 0.31 0.01 -0.91 -1.51 0.00 0.00 179.97 178.84 2rqa h ASN 614 N 0.00 1.06 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.90 2rqa h ASN 614 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2rqa h ASN 614 Cb 0.61 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2rqa h ASN 614 CO 0.04 1.10 0.00 0.00 -1.65 0.00 0.00 177.43 176.92 2rqa n GLY 616 N 3.37 0.52 3.45 0.00 0.00 0.51 -4.91 105.19 108.13 2rqa n GLY 616 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.53 1.61 4.07 -1.26 -3.78 120.64 119.91 2rqa n GLU 617 Ca 0.00 0.02 -0.49 0.00 -0.06 0.00 0.00 57.16 56.63 2rqa n GLU 617 Cb 0.00 -1.75 -0.06 0.00 -0.06 0.00 0.00 31.44 29.57 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 7.33 0.30 0.04 6.31 0.31 -1.26 -3.44 118.33 127.92 2rqa n VAL 618 Ca 0.60 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.54 2rqa n VAL 618 Cb 0.08 -1.87 -0.09 0.00 -0.91 0.00 0.00 33.84 31.05 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 12.18 -0.14 0.00 3.52 6.55 -1.64 -3.49 115.95 132.92 2rqa h TRP 619 Ca -0.35 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.49 2rqa h TRP 619 Cb 1.29 0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.64 2rqa h TRP 619 CO 0.93 0.33 0.00 0.41 -1.05 0.00 0.00 178.44 179.06 2rqa n GLY 620 N 0.39 -1.79 3.84 1.49 0.00 -1.25 -4.22 105.19 103.66 2rqa n GLY 620 Ca -0.08 0.79 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.23 0.39 0.99 2.34 -1.18 -2.55 118.68 118.44 2rqa s LEU 621 Ca 0.00 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.58 2rqa s LEU 621 Cb 0.00 2.63 -0.02 0.00 -0.56 0.00 0.00 46.19 48.24 2rqa s LEU 621 CO 0.00 -1.29 0.60 -1.58 -1.06 0.00 0.00 176.35 173.02 2rqa s GLN 622 N -3.70 3.33 -0.12 1.48 0.74 0.42 -0.24 119.66 121.57 2rqa s GLN 622 Ca 0.12 -0.38 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 2rqa s GLN 622 Cb -0.05 -2.62 0.06 0.00 1.10 0.00 0.00 33.01 31.50 2rqa s GLN 622 CO 0.06 -0.02 0.23 -1.64 -0.55 0.00 0.00 175.29 173.38 2rqa s MET 623 N -4.42 0.12 -0.11 1.67 -1.94 0.30 0.18 119.30 115.11 2rqa s MET 623 Ca 0.43 0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 54.92 2rqa s MET 623 Cb -0.10 -0.22 -0.05 0.00 2.01 0.00 0.00 34.83 36.47 2rqa s MET 623 CO 0.37 -0.33 0.33 0.42 -0.01 0.00 0.00 175.02 175.80 2rqa s ILE 624 N 2.37 5.24 -0.22 2.53 1.09 -0.87 0.04 121.20 131.37 2rqa s ILE 624 Ca 0.02 0.63 -0.05 0.00 -1.10 0.00 0.00 60.65 60.16 2rqa s ILE 624 Cb -0.12 -3.65 0.08 0.00 -1.06 0.00 0.00 42.46 37.71 2rqa s ILE 624 CO -0.08 0.46 0.11 -0.47 -0.10 0.00 0.00 174.94 174.86 2rqa s TYR 625 N -0.14 0.24 -0.93 3.97 5.04 -0.87 -0.98 117.35 123.68 2rqa s TYR 625 Ca 0.19 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2rqa s TYR 625 Cb -0.14 -0.78 0.00 0.00 0.35 0.00 0.00 41.96 41.39 2rqa s TYR 625 CO 0.07 -0.65 0.00 1.63 -1.34 0.00 0.00 175.55 175.26 2rqa n LYS 626 N 5.27 -0.63 -1.77 4.97 4.76 -1.26 -2.70 118.16 126.80 2rqa n LYS 626 Ca -0.07 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2rqa n LYS 626 Cb 0.46 -4.67 0.00 0.00 -1.84 0.00 0.00 35.03 28.98 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 0.54 -1.36 -3.90 4.39 3.41 -1.26 -5.07 113.62 110.38 2rqa n SER 627 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 2rqa n SER 627 Cb 0.31 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.63 1.22 -0.61 -3.33 1.01 -1.10 -5.07 120.40 109.89 2rqa s VAL 628 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2rqa s VAL 628 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2rqa s VAL 628 CO 0.00 0.04 1.98 -0.54 0.00 0.00 0.00 175.10 176.58 2rqa s LYS 629 N 1.57 2.50 -0.30 2.72 -0.14 -1.26 -2.05 119.74 122.78 2rqa s LYS 629 Ca -0.01 0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 55.28 2rqa s LYS 629 Cb -0.16 -4.47 0.04 0.00 -1.68 0.00 0.00 37.83 31.56 2rqa s LYS 629 CO -0.07 -2.90 0.02 -0.51 -0.76 0.00 0.00 175.35 171.13 2rqa s LEU 630 N 9.82 3.85 0.09 3.17 1.43 0.11 -4.78 118.68 132.37 2rqa s LEU 630 Ca 0.73 -1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 2rqa s LEU 630 Cb -0.13 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 2rqa s LEU 630 CO 0.20 -0.24 1.15 -2.16 0.23 0.00 0.00 176.35 175.53 2rqa s PRO 631 N 1.33 4.49 -0.74 1.29 0.04 -1.26 0.11 135.00 140.27 2rqa s PRO 631 Ca -0.02 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 2rqa s PRO 631 Cb -0.19 -3.34 0.18 0.00 0.04 0.00 0.00 34.50 31.20 2rqa s PRO 631 CO -0.00 -0.15 0.70 0.08 0.04 0.00 0.00 177.00 177.67 2rqa s VAL 632 N 0.68 5.43 0.44 -0.36 1.01 0.67 -2.92 120.40 125.34 2rqa s VAL 632 Ca 0.55 -2.09 0.07 0.00 0.00 0.00 0.00 61.98 60.52 2rqa s VAL 632 Cb -0.29 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2rqa s VAL 632 CO 0.31 -1.01 0.60 -0.76 0.00 0.00 0.00 175.10 174.24 2rqa s LEU 633 N 0.79 3.61 0.00 3.92 2.01 -1.25 -3.09 118.68 124.67 2rqa s LEU 633 Ca 0.14 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 53.89 2rqa s LEU 633 Cb -0.16 -2.66 0.00 0.00 0.01 0.00 0.00 46.19 43.38 2rqa s LEU 633 CO -0.05 -0.81 0.00 2.29 1.01 0.00 0.00 176.35 178.79 2rqa n LYS 634 N -1.91 1.56 -0.00 1.70 2.85 -1.26 -4.66 118.16 116.44 2rqa n LYS 634 Ca 0.08 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.39 2rqa n LYS 634 Cb 0.59 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.51 0.00 0.93 0.58 3.14 -1.26 -3.88 118.33 117.34 2rqa n VAL 635 Ca 0.00 -0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.29 2rqa n VAL 635 Cb 0.00 0.45 0.57 0.00 -1.06 0.00 0.00 33.84 33.79 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 -1.68 0.04 0.00 1.45 1.85 -0.92 -2.88 116.66 114.51 2rqa n ARG 636 Ca -0.01 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2rqa n ARG 636 Cb 0.21 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 2rqa n ARG 636 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2rqa n SER 637 N -1.48 0.62 -4.30 2.89 3.41 -1.26 -4.87 113.62 108.62 2rqa n SER 637 Ca 0.07 -0.82 -0.35 0.00 -0.26 0.00 0.00 58.87 57.51 2rqa n SER 637 Cb 0.30 0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 64.41 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2rqa s MET 638 N -0.31 3.35 0.29 4.33 -1.94 -1.14 -2.84 119.30 121.04 2rqa s MET 638 Ca 0.00 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.24 2rqa s MET 638 Cb 0.00 -2.92 -0.07 0.00 2.01 0.00 0.00 34.83 33.85 2rqa s MET 638 CO 0.00 -0.14 0.61 -1.17 -0.01 0.00 0.00 175.02 174.31 2rqa s LEU 639 N 1.30 4.06 -0.31 -0.03 2.96 0.13 -4.67 118.68 122.13 2rqa s LEU 639 Ca 0.04 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 2rqa s LEU 639 Cb -0.14 -3.75 0.09 0.00 0.50 0.00 0.00 46.19 42.89 2rqa s LEU 639 CO -0.03 -0.18 0.00 -0.76 -1.32 0.00 0.00 176.35 174.06 2rqa s LEU 640 N -3.24 4.14 -0.01 -0.68 1.43 -0.68 -2.13 118.68 117.51 2rqa s LEU 640 Ca 0.48 -1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.41 2rqa s LEU 640 Cb -0.11 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2rqa s LEU 640 CO 0.25 -0.32 1.25 -1.61 0.23 0.00 0.00 176.35 176.15 2rqa s GLU 641 N 1.02 4.36 0.10 1.70 2.02 -1.19 -1.64 118.70 125.06 2rqa s GLU 641 Ca 0.04 1.77 0.02 0.00 0.02 0.00 0.00 54.97 56.83 2rqa s GLU 641 Cb -0.19 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2rqa s GLU 641 CO -0.08 -0.42 -0.07 0.95 0.02 0.00 0.00 175.26 175.66 2rqa s THR 642 N 1.92 0.71 -0.16 3.63 -4.23 -1.26 -3.45 115.64 112.81 2rqa s THR 642 Ca 0.59 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 2rqa s THR 642 Cb -0.28 -1.59 0.36 0.00 1.34 0.00 0.00 72.50 72.33 2rqa s THR 642 CO 0.25 -0.82 1.80 1.55 -0.54 0.00 0.00 174.62 176.86 2rqa h PRO 643 N 3.10 0.00 0.00 3.99 0.13 -1.96 -2.77 132.00 134.49 2rqa h PRO 643 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2rqa h PRO 643 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rqa h PRO 643 CO 0.62 0.01 -0.60 1.96 -0.23 0.00 0.00 178.00 179.75 2rqa h GLN 644 N 0.00 0.00 0.00 0.86 4.20 -1.96 -3.48 115.11 114.73 2rqa h GLN 644 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2rqa h GLN 644 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2rqa h GLN 644 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2rqa n GLY 645 N 1.30 4.38 3.37 3.46 0.00 -1.04 -5.11 105.19 111.54 2rqa n GLY 645 Ca 0.03 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.60 0.26 -4.02 1.61 1.74 -1.26 -4.30 116.66 110.09 2rqa n ARG 646 Ca 0.00 0.11 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 2rqa n ARG 646 Cb 0.00 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 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 -1.88 0.25 -0.12 0.55 1.01 -0.65 -4.92 121.20 115.44 2rqa s ILE 647 Ca 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 2rqa s ILE 647 Cb -0.40 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 41.83 2rqa s ILE 647 CO 0.61 0.11 -0.01 -1.58 0.00 0.00 0.00 174.94 174.08 2rqa s GLN 648 N 0.43 0.82 0.11 2.79 -0.44 -1.26 -1.69 119.66 120.42 2rqa s GLN 648 Ca -0.04 -0.13 0.08 0.00 -2.50 0.00 0.00 55.36 52.76 2rqa s GLN 648 Cb -0.07 -1.44 -0.04 0.00 -1.64 0.00 0.00 33.01 29.82 2rqa s GLN 648 CO -0.01 -0.40 -0.19 0.00 0.50 0.00 0.00 175.29 175.20 2rqa s ALA 649 N 1.88 1.75 -2.38 1.58 0.00 -1.26 -5.02 121.76 118.31 2rqa s ALA 649 Ca 0.03 -1.27 0.22 0.00 0.00 0.00 0.00 51.96 50.94 2rqa s ALA 649 Cb -0.14 -0.20 0.57 0.00 0.00 0.00 0.00 23.12 23.35 2rqa s ALA 649 CO -0.07 0.30 1.47 1.63 0.00 0.00 0.00 175.76 179.09 2rqa n LYS 650 N 0.91 2.11 -3.86 0.00 5.02 -1.26 -2.16 118.16 118.92 2rqa n LYS 650 Ca -0.18 -1.67 -0.12 0.00 -2.02 0.00 0.00 58.31 54.32 2rqa n LYS 650 Cb 0.55 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.66 0.19 0.37 1.97 -0.14 -1.26 -4.32 119.74 114.89 2rqa s LYS 651 Ca 0.35 -0.03 0.27 0.00 -1.36 0.00 0.00 55.97 55.20 2rqa s LYS 651 Cb 0.20 0.08 0.98 0.00 -1.68 0.00 0.00 37.83 37.41 2rqa s LYS 651 CO 0.29 -0.03 1.80 -1.49 -0.76 0.00 0.00 175.35 175.15 2rqa h TRP 652 N 5.60 0.00 0.00 3.18 4.06 -1.94 -2.49 115.95 124.35 2rqa h TRP 652 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2rqa h TRP 652 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2rqa h TRP 652 CO 0.46 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.77 2rqa n SER 653 N -2.63 0.30 -0.03 -3.49 7.64 -1.26 -1.28 113.62 112.86 2rqa n SER 653 Ca 0.03 0.61 0.01 0.00 1.01 0.00 0.00 58.87 60.52 2rqa n SER 653 Cb 0.33 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.87 1.13 -1.62 1.43 5.12 -0.94 -5.00 116.66 114.91 2rqa n ARG 654 Ca 0.01 -0.07 -0.63 0.00 -1.93 0.00 0.00 57.85 55.23 2rqa n ARG 654 Cb 0.08 -1.33 -0.09 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.22 0.01 -0.04 1.55 0.31 -0.40 -4.85 118.33 112.67 2rqa n VAL 655 Ca -0.12 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 2rqa n VAL 655 Cb 0.63 -0.28 -0.11 0.00 -0.91 0.00 0.00 33.84 33.17 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 4.05 -0.00 -7.10 5.55 0.13 -1.92 -3.46 132.00 129.24 2rqa h PRO 656 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2rqa h PRO 656 Cb 1.40 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.66 2rqa h PRO 656 CO 0.81 0.74 0.49 -0.59 -0.23 0.00 0.00 178.00 179.22 2rqa s PHE 657 N -3.20 2.27 0.24 1.56 -0.12 -1.25 -4.80 117.98 112.68 2rqa s PHE 657 Ca -0.17 1.51 -0.23 0.00 -0.05 0.00 0.00 56.93 57.98 2rqa s PHE 657 Cb -0.01 -3.56 -0.09 0.00 -0.63 0.00 0.00 43.02 38.74 2rqa s PHE 657 CO 0.68 -2.48 0.82 -1.54 -0.05 0.00 0.00 175.22 172.65 2rqa s SER 658 N -1.54 7.25 -0.42 1.98 1.04 -1.26 -4.98 113.70 115.77 2rqa s SER 658 Ca 0.79 1.63 0.04 0.00 0.48 0.00 0.00 55.95 58.89 2rqa s SER 658 Cb -0.33 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.41 2rqa s SER 658 CO 0.36 0.05 0.15 -0.69 0.98 0.00 0.00 173.24 174.08 2rqa s VAL 659 N -1.45 2.27 0.44 5.02 1.01 -1.26 -4.82 120.40 121.61 2rqa s VAL 659 Ca 0.43 -2.70 -0.22 0.00 0.00 0.00 0.00 61.98 59.50 2rqa s VAL 659 Cb -0.19 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2rqa s VAL 659 CO 0.24 -0.70 1.05 -2.16 0.00 0.00 0.00 175.10 173.52 2rqa s PRO 660 N 0.43 3.99 1.03 2.72 0.04 -1.26 -4.20 135.00 137.75 2rqa s PRO 660 Ca 0.14 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 2rqa s PRO 660 Cb -0.22 -2.33 0.21 0.00 0.04 0.00 0.00 34.50 32.20 2rqa s PRO 660 CO -0.05 -0.28 1.09 -0.40 0.04 0.00 0.00 177.00 177.39 2rqa n ASP 661 N -0.50 -0.56 -4.67 6.66 5.68 -1.26 0.80 116.55 122.72 2rqa n ASP 661 Ca 0.07 0.17 -0.43 0.00 -0.50 0.00 0.00 54.79 54.10 2rqa n ASP 661 Cb 0.51 -1.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.08 2rqa n ASP 661 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2rqa s PHE 662 N -2.54 3.22 -0.63 2.11 2.19 0.51 -4.45 117.98 118.39 2rqa s PHE 662 Ca 0.68 1.34 -0.24 0.00 0.33 0.00 0.00 56.93 59.04 2rqa s PHE 662 Cb -0.24 -3.33 0.05 0.00 -1.31 0.00 0.00 43.02 38.19 2rqa s PHE 662 CO 0.61 -0.85 1.01 0.34 1.83 0.00 0.00 175.22 178.17 2rqa s ASP 663 N 1.42 6.23 0.47 6.13 -1.08 -1.26 -4.85 116.67 123.72 2rqa s ASP 663 Ca 0.49 -0.67 0.32 0.00 -0.52 0.00 0.00 52.55 52.16 2rqa s ASP 663 Cb -0.18 -2.45 1.38 0.00 -1.46 0.00 0.00 42.92 40.21 2rqa s ASP 663 CO 0.12 -1.44 1.94 0.15 0.52 0.00 0.00 175.17 176.46 2rqa h PHE 664 N 9.56 0.00 0.13 -5.34 3.57 -1.98 -0.53 116.94 122.35 2rqa h PHE 664 Ca -0.28 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2rqa h PHE 664 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2rqa h PHE 664 CO 0.98 0.00 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.92 2rqa h LEU 665 N 0.00 -0.15 -0.51 0.59 3.38 -1.96 -0.03 115.31 116.64 2rqa h LEU 665 Ca 0.00 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2rqa h LEU 665 Cb 0.38 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2rqa h LEU 665 CO 0.00 0.45 0.20 -0.61 0.09 0.00 0.00 178.44 178.57 2rqa h GLN 666 N -0.94 0.76 0.31 1.13 4.15 -1.93 0.57 115.11 119.17 2rqa h GLN 666 Ca -0.02 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 2rqa h GLN 666 Cb 0.48 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2rqa h GLN 666 CO 0.03 0.68 -0.15 0.45 -1.93 0.00 0.00 178.83 177.91 2rqa h HIS 667 N 0.68 -0.39 0.00 3.99 3.86 -1.21 0.38 115.15 122.47 2rqa h HIS 667 Ca 0.17 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2rqa h HIS 667 Cb 0.21 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2rqa h HIS 667 CO 0.01 -0.16 -0.05 0.00 0.86 0.00 0.00 177.93 178.58 2rqa n ALA 669 N -2.22 2.89 0.21 0.00 0.00 0.20 -2.71 120.51 118.88 2rqa n ALA 669 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.23 2rqa n ALA 669 Cb 0.17 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 1.17 -0.01 0.00 1.02 0.13 -4.48 120.64 116.74 2rqa n GLU 670 Ca 0.05 -0.60 0.10 0.00 -0.02 0.00 0.00 57.16 56.70 2rqa n GLU 670 Cb 0.37 -1.00 -0.15 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.07 0.51 -3.57 1.62 5.03 0.37 -4.97 115.26 114.16 2rqa n ASN 671 Ca 0.02 -0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.27 2rqa n ASN 671 Cb 0.11 1.82 0.04 0.00 -1.02 0.00 0.00 39.78 40.73 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 -2.12 0.00 0.00 3.41 4.77 -1.10 -5.04 117.00 116.92 2rqa n LEU 672 Ca -0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 2rqa n LEU 672 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2rqa n LEU 672 CO 0.41 -0.64 0.35 -1.20 -1.33 0.00 0.00 177.39 174.99 2rqa n SER 673 N -2.68 1.37 0.17 -1.43 7.64 -1.26 -4.61 113.62 112.82 2rqa n SER 673 Ca 0.09 -1.46 0.13 0.00 1.01 0.00 0.00 58.87 58.64 2rqa n SER 673 Cb 0.33 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.12 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 3.58 -1.94 -3.23 116.42 121.26 2rqa h ASP 674 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rqa h ASP 674 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2rqa h ASP 674 CO 0.00 0.00 -0.26 0.18 -2.88 0.00 0.00 179.24 176.28 2rqa n LEU 675 N -2.38 0.59 -4.01 2.28 7.99 -1.26 -5.10 117.00 115.11 2rqa n LEU 675 Ca 0.00 0.19 -0.12 0.00 -0.01 0.00 0.00 56.01 56.08 2rqa n LEU 675 Cb 0.16 -0.59 -0.04 0.00 -0.11 0.00 0.00 43.42 42.84 2rqa n LEU 675 CO 0.17 -0.45 0.21 -0.94 -1.51 0.00 0.00 177.39 174.87 2rqa s SER 676 N -4.47 0.37 -0.07 -1.43 1.04 -1.22 -5.07 113.70 102.85 2rqa s SER 676 Ca -0.08 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.15 2rqa s SER 676 Cb 0.01 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.74 2rqa s SER 676 CO 0.11 -1.29 -0.06 0.18 0.98 0.00 0.00 173.24 173.16 2rqa n LEU 677 N -0.48 2.94 0.00 2.42 7.99 -1.26 -4.40 117.00 124.20 2rqa n LEU 677 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 2rqa n LEU 677 Cb 0.61 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2rqa n LEU 677 CO 0.26 0.61 0.19 -0.67 -1.51 0.00 0.00 177.39 176.28