#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa n PRO 543 N 0.00 0.23 -2.70 1.61 -0.04 -1.26 -5.06 135.00 127.77 2rqa n PRO 543 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2rqa n PRO 543 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 2rqa n PRO 543 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rqa s HIS 544 N -0.52 3.12 -0.87 0.54 3.76 -1.26 -5.04 115.29 115.03 2rqa s HIS 544 Ca 0.00 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2rqa s HIS 544 Cb 0.00 -2.59 0.25 0.00 1.11 0.00 0.00 32.58 31.35 2rqa s HIS 544 CO 0.00 -0.68 0.94 -1.33 -0.85 0.00 0.00 174.74 172.82 2rqa n MET 545 N -2.33 3.03 -3.99 1.40 2.81 -1.26 -5.01 117.12 111.77 2rqa n MET 545 Ca 0.04 -4.56 -0.15 0.00 -1.81 0.00 0.00 57.70 51.23 2rqa n MET 545 Cb 0.58 -2.39 -0.15 0.00 -0.71 0.00 0.00 33.22 30.56 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 -2.04 0.23 -0.28 0.03 -0.21 -1.26 -5.12 119.66 111.01 2rqa s GLN 546 Ca 0.32 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.67 2rqa s GLN 546 Cb 0.02 -0.28 0.17 0.00 1.00 0.00 0.00 33.01 33.93 2rqa s GLN 546 CO -0.04 0.01 0.49 -0.06 -2.12 0.00 0.00 175.29 173.56 2rqa s PHE 547 N 0.23 -1.34 0.21 0.91 0.40 -1.26 -5.01 117.98 112.13 2rqa s PHE 547 Ca -0.02 0.83 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 2rqa s PHE 547 Cb -0.04 0.12 -0.08 0.00 0.51 0.00 0.00 43.02 43.52 2rqa s PHE 547 CO -0.01 -0.96 1.10 -1.25 0.70 0.00 0.00 175.22 174.80 2rqa s PRO 548 N 2.68 4.61 0.31 0.24 0.04 -1.26 -3.96 135.00 137.65 2rqa s PRO 548 Ca 0.12 1.76 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2rqa s PRO 548 Cb -0.12 -3.24 0.83 0.00 0.04 0.00 0.00 34.50 32.01 2rqa s PRO 548 CO -0.26 0.12 1.73 -0.39 0.04 0.00 0.00 177.00 178.24 2rqa h VAL 549 N 3.50 0.55 -0.64 -0.36 -1.51 -1.88 1.01 116.25 116.92 2rqa h VAL 549 Ca -0.45 -0.20 0.08 0.00 -1.23 0.00 0.00 66.70 64.90 2rqa h VAL 549 Cb 1.21 -0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.26 2rqa h VAL 549 CO 0.71 0.11 0.42 1.05 -1.23 0.00 0.00 177.57 178.63 2rqa h GLU 550 N 0.58 0.55 0.00 5.19 4.11 -1.91 0.36 114.58 123.45 2rqa h GLU 550 Ca 0.62 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.02 2rqa h GLU 550 Cb 1.15 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2rqa h GLU 550 CO -0.47 0.36 -0.32 0.72 0.07 0.00 0.00 179.01 179.38 2rqa n HIS 551 N -4.48 0.74 -3.45 2.06 8.25 0.33 -4.75 115.22 113.91 2rqa n HIS 551 Ca 0.10 0.22 -0.38 0.00 -0.26 0.00 0.00 57.72 57.40 2rqa n HIS 551 Cb 0.29 -0.80 -0.08 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.13 5.24 0.02 1.59 1.01 0.13 -4.25 120.40 121.00 2rqa s VAL 552 Ca 0.08 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2rqa s VAL 552 Cb 0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2rqa s VAL 552 CO 0.66 0.29 -0.16 -1.58 0.00 0.00 0.00 175.10 174.32 2rqa s GLN 553 N 1.10 2.23 -0.34 2.72 0.74 -1.22 -1.09 119.66 123.81 2rqa s GLN 553 Ca 0.17 -0.88 -0.25 0.00 0.05 0.00 0.00 55.36 54.45 2rqa s GLN 553 Cb -0.14 -2.27 0.01 0.00 1.10 0.00 0.00 33.01 31.70 2rqa s GLN 553 CO 0.07 0.57 0.86 -0.51 -0.55 0.00 0.00 175.29 175.73 2rqa s LEU 554 N -1.29 4.05 0.00 3.68 1.43 -0.76 -3.08 118.68 122.71 2rqa s LEU 554 Ca 0.14 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 2rqa s LEU 554 Cb -0.11 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 2rqa s LEU 554 CO 0.05 -0.74 0.20 0.18 0.23 0.00 0.00 176.35 176.27 2rqa n LEU 555 N 6.49 0.00 -4.17 1.79 4.32 -0.77 0.26 117.00 124.92 2rqa n LEU 555 Ca 0.06 -3.12 -0.38 0.00 -0.02 0.00 0.00 56.01 52.55 2rqa n LEU 555 Cb 0.48 1.30 -0.10 0.00 -1.62 0.00 0.00 43.42 43.47 2rqa n LEU 555 CO 0.54 -0.50 -0.11 0.00 -1.22 0.00 0.00 177.39 176.10 2rqa n ILE 557 N 4.74 -0.19 0.08 0.00 -5.35 -1.06 0.26 119.36 117.84 2rqa n ILE 557 Ca -0.05 1.16 -0.04 0.00 -0.27 0.00 0.00 62.75 63.55 2rqa n ILE 557 Cb 0.41 -1.89 -0.02 0.00 -1.74 0.00 0.00 39.64 36.40 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 -0.20 0.00 7.28 4.21 -1.92 -3.41 115.58 121.54 2rqa h ASN 558 Ca 0.53 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.05 2rqa h ASN 558 Cb 1.61 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 2rqa h ASN 558 CO -0.36 0.05 0.00 0.00 -1.29 0.00 0.00 177.43 175.83 2rqa n MET 560 N -1.95 -0.68 -0.26 0.00 2.81 0.71 -4.86 117.12 112.89 2rqa n MET 560 Ca 0.00 0.08 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 2rqa n MET 560 Cb 0.00 -2.81 0.18 0.00 -0.71 0.00 0.00 33.22 29.88 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 -2.16 1.68 -2.00 2.03 0.24 -1.26 -4.83 118.33 112.02 2rqa n VAL 561 Ca -0.01 -1.55 -0.01 0.00 -2.04 0.00 0.00 64.34 60.74 2rqa n VAL 561 Cb 0.51 0.08 -0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.29 -2.45 0.61 2.33 0.00 -1.26 -4.95 120.51 114.49 2rqa n ALA 562 Ca 0.15 0.53 0.07 0.00 0.00 0.00 0.00 53.44 54.19 2rqa n ALA 562 Cb 0.64 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 1.30 0.00 -2.85 0.00 0.24 0.14 -4.94 118.33 112.22 2rqa n VAL 563 Ca -0.04 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2rqa n VAL 563 Cb 0.06 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 1.12 0.90 3.18 7.63 0.00 -0.34 -4.73 105.19 112.96 2rqa n GLY 564 Ca 0.05 -0.58 -0.23 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 -2.01 1.49 0.07 1.61 3.76 -1.26 -1.82 115.29 117.13 2rqa s HIS 565 Ca 0.00 -0.34 0.32 0.00 -0.15 0.00 0.00 55.06 54.89 2rqa s HIS 565 Cb 0.00 -0.90 1.27 0.00 1.11 0.00 0.00 32.58 34.06 2rqa s HIS 565 CO 0.00 0.04 1.95 0.78 -0.85 0.00 0.00 174.74 176.66 2rqa h GLY 566 N 5.10 0.00 -2.60 -2.22 0.00 -1.29 -2.03 103.07 100.03 2rqa h GLY 566 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2rqa h GLY 566 CO 0.45 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.73 2rqa n SER 567 N -3.11 3.98 -0.01 0.19 2.88 -1.21 -4.04 113.62 112.30 2rqa n SER 567 Ca 0.01 -2.07 0.05 0.00 -1.33 0.00 0.00 58.87 55.52 2rqa n SER 567 Cb 0.33 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.44 2.15 -4.91 -3.46 9.92 -0.78 -4.98 116.55 115.94 2rqa n ASP 568 Ca 0.23 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.22 2rqa n ASP 568 Cb 0.64 1.50 0.05 0.00 -0.64 0.00 0.00 41.12 42.67 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 -3.96 2.97 -0.16 0.64 0.05 -1.13 -3.99 118.68 113.10 2rqa s LEU 569 Ca -0.05 0.81 -0.26 0.00 0.05 0.00 0.00 54.13 54.68 2rqa s LEU 569 Cb 0.08 -3.55 0.06 0.00 -2.05 0.00 0.00 46.19 40.73 2rqa s LEU 569 CO 0.51 -1.35 0.65 -0.13 -0.55 0.00 0.00 176.35 175.49 2rqa s ARG 570 N -5.22 0.89 0.69 1.48 0.52 -0.40 -4.54 118.95 112.35 2rqa s ARG 570 Ca 0.57 0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 56.26 2rqa s ARG 570 Cb -0.11 0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.79 2rqa s ARG 570 CO 0.48 -0.19 1.07 0.21 0.02 0.00 0.00 175.30 176.88 2rqa s LYS 571 N -0.37 2.88 -0.24 3.54 2.20 0.29 -2.73 119.74 125.31 2rqa s LYS 571 Ca -0.05 1.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2rqa s LYS 571 Cb -0.03 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.36 2rqa s LYS 571 CO 0.05 -1.15 -0.13 0.08 -0.36 0.00 0.00 175.35 173.84 2rqa s VAL 572 N -2.86 2.27 -0.66 4.02 1.01 -1.09 0.19 120.40 123.28 2rqa s VAL 572 Ca 0.60 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2rqa s VAL 572 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2rqa s VAL 572 CO 0.51 0.17 0.07 -1.84 0.00 0.00 0.00 175.10 174.00 2rqa n GLU 573 N 4.53 -2.62 -3.61 2.72 0.28 -1.26 -0.84 120.64 119.83 2rqa n GLU 573 Ca -0.16 0.32 -0.28 0.00 -0.16 0.00 0.00 57.16 56.87 2rqa n GLU 573 Cb 0.45 -4.89 0.05 0.00 1.43 0.00 0.00 31.44 28.48 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 -0.72 -0.98 1.32 -1.84 0.00 -1.26 -4.92 105.19 96.78 2rqa n GLY 574 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.03 0.00 -4.31 2.61 -1.04 -0.02 -5.12 114.28 102.37 2rqa n THR 575 Ca -0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.67 2rqa n THR 575 Cb 0.60 -0.40 -0.12 0.00 -1.82 0.00 0.00 70.33 68.59 2rqa n THR 575 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2rqa s HIS 576 N -0.84 1.87 -0.26 -1.42 3.76 -1.26 -4.98 115.29 112.16 2rqa s HIS 576 Ca 0.00 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.23 2rqa s HIS 576 Cb 0.00 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.69 2rqa s HIS 576 CO 0.00 0.25 0.88 -1.01 -0.85 0.00 0.00 174.74 174.02 2rqa s HIS 577 N -1.34 3.28 -0.13 1.40 3.76 -1.26 -2.68 115.29 118.32 2rqa s HIS 577 Ca 0.09 1.14 0.02 0.00 -0.15 0.00 0.00 55.06 56.16 2rqa s HIS 577 Cb -0.09 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.43 2rqa s HIS 577 CO 0.05 -0.48 -0.18 0.14 -0.85 0.00 0.00 174.74 173.42 2rqa s VAL 578 N 3.00 1.77 -0.44 -0.90 -7.23 -1.10 -3.06 120.40 112.44 2rqa s VAL 578 Ca 0.37 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.56 2rqa s VAL 578 Cb -0.15 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.23 2rqa s VAL 578 CO 0.09 0.49 0.50 0.21 -0.31 0.00 0.00 175.10 176.08 2rqa s ASN 579 N 1.00 6.22 0.19 4.85 3.04 -1.19 -1.28 114.94 127.77 2rqa s ASN 579 Ca -0.04 -0.69 -0.30 0.00 0.04 0.00 0.00 52.86 51.87 2rqa s ASN 579 Cb -0.15 -2.25 -0.08 0.00 -1.54 0.00 0.00 41.25 37.24 2rqa s ASN 579 CO -0.04 -0.67 0.99 -0.69 -3.04 0.00 0.00 177.10 173.66 2rqa s VAL 580 N 2.32 4.11 0.00 -5.21 1.01 -1.26 -4.29 120.40 117.08 2rqa s VAL 580 Ca 0.14 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.05 2rqa s VAL 580 Cb -0.17 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2rqa s VAL 580 CO 0.14 0.38 0.00 0.59 0.00 0.00 0.00 175.10 176.21 2rqa n ASN 581 N 2.04 0.00 0.12 3.32 4.13 -1.26 -4.63 115.26 118.99 2rqa n ASN 581 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.25 2rqa n ASN 581 Cb 0.47 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.82 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2rqa h PRO 582 N 0.00 0.00 -0.00 3.52 0.13 -1.95 -2.71 132.00 130.98 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 0.68 -0.08 0.09 -0.23 0.00 0.00 178.00 178.46 2rqa n ASN 583 N -3.60 0.30 0.03 1.44 3.02 -1.26 -3.49 115.26 111.71 2rqa n ASN 583 Ca -0.00 -0.43 -0.02 0.00 -0.03 0.00 0.00 54.58 54.10 2rqa n ASN 583 Cb 0.70 -0.14 0.25 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.35 0.48 -0.09 3.10 3.57 -1.77 -2.06 116.94 120.53 2rqa h PHE 584 Ca 0.00 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2rqa h PHE 584 Cb 0.33 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2rqa h PHE 584 CO 0.00 0.61 0.11 0.77 -2.23 0.00 0.00 178.31 177.57 2rqa h SER 585 N 0.40 0.00 1.03 0.41 0.02 -1.72 0.66 113.55 114.35 2rqa h SER 585 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2rqa h SER 585 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2rqa h SER 585 CO 0.04 0.00 -0.60 0.78 -1.14 0.00 0.00 176.83 175.91 2rqa h ASN 586 N 0.00 0.00 0.05 3.07 2.35 -1.61 -3.23 115.58 116.21 2rqa h ASN 586 Ca 0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2rqa h ASN 586 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2rqa h ASN 586 CO -0.00 0.07 -0.13 -1.22 -1.65 0.00 0.00 177.43 174.50 2rqa n TYR 587 N -2.32 0.00 -3.56 1.19 4.01 0.22 -4.83 117.16 111.88 2rqa n TYR 587 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 2rqa n TYR 587 Cb 0.47 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.19 -0.39 -0.12 -0.72 -0.85 -0.57 -0.46 117.35 112.05 2rqa s TYR 588 Ca 0.30 0.28 0.00 0.00 -0.52 0.00 0.00 57.07 57.14 2rqa s TYR 588 Cb 0.20 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2rqa s TYR 588 CO 0.41 -0.70 -0.12 -0.80 -1.52 0.00 0.00 175.55 172.82 2rqa s ASN 589 N -2.35 2.37 0.18 -0.18 0.02 -1.05 -4.65 114.94 109.28 2rqa s ASN 589 Ca -0.02 -0.39 -0.30 0.00 -1.02 0.00 0.00 52.86 51.13 2rqa s ASN 589 Cb -0.00 -1.00 -0.08 0.00 0.02 0.00 0.00 41.25 40.19 2rqa s ASN 589 CO -0.07 -0.06 1.21 -0.69 0.02 0.00 0.00 177.10 177.51 2rqa s VAL 590 N 1.40 3.56 1.11 1.60 1.01 -1.26 -3.91 120.40 123.91 2rqa s VAL 590 Ca 0.01 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.10 2rqa s VAL 590 Cb -0.13 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.50 2rqa s VAL 590 CO -0.07 0.20 -0.08 -0.24 0.00 0.00 0.00 175.10 174.91 2rqa n SER 591 N 2.58 -2.41 -0.06 3.32 2.88 -0.78 -4.91 113.62 114.24 2rqa n SER 591 Ca 0.05 -0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 2rqa n SER 591 Cb 0.45 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 62.90 2rqa n SER 591 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2rqa h ARG 592 N -1.99 0.38 -7.26 -1.46 3.08 -1.94 -3.45 114.38 101.75 2rqa h ARG 592 Ca -0.53 -0.20 -0.52 0.00 0.07 0.00 0.00 59.98 58.80 2rqa h ARG 592 Cb 1.36 0.01 0.20 0.00 0.08 0.00 0.00 29.97 31.62 2rqa h ARG 592 CO 0.37 0.76 0.22 -0.25 -1.07 0.00 0.00 179.97 180.00 2rqa n ASP 593 N -4.53 0.37 0.00 7.04 8.00 -1.26 -5.01 116.55 121.16 2rqa n ASP 593 Ca -0.06 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2rqa n ASP 593 Cb 0.37 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 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 -4.14 0.00 -4.56 -0.24 -0.04 -1.26 -4.76 135.00 120.00 2rqa n PRO 594 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2rqa n PRO 594 Cb 0.52 -0.15 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 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 3.62 -0.46 0.52 1.01 -1.18 -3.58 120.40 120.31 2rqa s VAL 595 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2rqa s VAL 595 Cb 0.00 -2.54 0.17 0.00 0.00 0.00 0.00 36.38 34.00 2rqa s VAL 595 CO 0.00 0.53 0.35 -0.69 0.00 0.00 0.00 175.10 175.29 2rqa s VAL 596 N 0.08 0.88 0.16 2.92 1.01 -1.26 -5.08 120.40 119.12 2rqa s VAL 596 Ca -0.02 -2.89 0.02 0.00 0.00 0.00 0.00 61.98 59.09 2rqa s VAL 596 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2rqa s VAL 596 CO 0.03 -1.16 -0.02 -0.63 0.00 0.00 0.00 175.10 173.33 2rqa s ILE 597 N -0.14 0.76 -0.02 2.22 -1.09 -1.26 -4.91 121.20 116.75 2rqa s ILE 597 Ca 0.29 -1.99 -0.23 0.00 -2.23 0.00 0.00 60.65 56.50 2rqa s ILE 597 Cb -0.01 -2.05 -0.16 0.00 -1.58 0.00 0.00 42.46 38.66 2rqa s ILE 597 CO -0.17 -0.55 1.06 0.78 -1.23 0.00 0.00 174.94 174.84 2rqa h ASN 598 N 2.73 -0.29 -2.16 3.58 2.35 -2.07 -3.46 115.58 116.24 2rqa h ASN 598 Ca -0.37 -0.24 -0.58 0.00 -0.55 0.00 0.00 56.30 54.57 2rqa h ASN 598 Cb 1.20 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 39.51 2rqa h ASN 598 CO 0.63 0.15 -0.56 -1.59 -1.65 0.00 0.00 177.43 174.42 2rqa s LYS 599 N -4.11 1.93 0.13 0.81 0.00 -1.26 -5.16 119.74 112.09 2rqa s LYS 599 Ca -0.13 -2.16 0.09 0.00 0.00 0.00 0.00 55.97 53.77 2rqa s LYS 599 Cb 0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 37.83 36.69 2rqa s LYS 599 CO 0.50 -0.29 -0.15 0.08 0.00 0.00 0.00 175.35 175.49 2rqa s VAL 600 N -3.05 3.00 0.39 1.79 1.01 -1.26 -5.04 120.40 117.23 2rqa s VAL 600 Ca 0.24 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.78 2rqa s VAL 600 Cb 0.05 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2rqa s VAL 600 CO 0.12 0.04 0.33 -0.36 0.00 0.00 0.00 175.10 175.23 2rqa s PHE 601 N -1.32 2.77 -0.08 5.22 0.40 -1.26 -5.07 117.98 118.64 2rqa s PHE 601 Ca 0.20 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 2rqa s PHE 601 Cb -0.10 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2rqa s PHE 601 CO 0.12 0.01 -0.20 1.63 0.70 0.00 0.00 175.22 177.48 2rqa n LYS 602 N -1.46 0.30 -0.69 0.44 4.76 -1.26 -4.52 118.16 115.74 2rqa n LYS 602 Ca 0.01 0.12 0.53 0.00 -2.87 0.00 0.00 58.31 56.10 2rqa n LYS 602 Cb 0.61 -1.03 0.82 0.00 -1.84 0.00 0.00 35.03 33.60 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 -0.56 0.00 -5.05 4.39 5.19 -1.99 -3.39 116.42 115.00 2rqa h ASP 603 Ca -0.08 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2rqa h ASP 603 Cb 0.72 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.12 2rqa h ASP 603 CO -0.05 0.00 0.08 -1.66 -3.12 0.00 0.00 179.24 174.49 2rqa s TRP 604 N -4.87 -0.27 0.20 4.55 1.48 -1.26 -4.92 118.94 113.85 2rqa s TRP 604 Ca -0.05 -0.04 0.07 0.00 -1.06 0.00 0.00 56.10 55.02 2rqa s TRP 604 Cb 0.27 0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 32.98 2rqa s TRP 604 CO 0.89 -0.88 0.07 -1.59 -4.06 0.00 0.00 176.95 171.38 2rqa s LYS 605 N -3.83 2.61 1.06 3.25 -2.85 -1.11 -4.11 119.74 114.77 2rqa s LYS 605 Ca 0.06 -1.07 -0.17 0.00 -1.00 0.00 0.00 55.97 53.79 2rqa s LYS 605 Cb -0.01 -2.45 0.23 0.00 -2.06 0.00 0.00 37.83 33.55 2rqa s LYS 605 CO -0.07 0.44 1.21 -1.25 0.10 0.00 0.00 175.35 175.78 2rqa s PRO 606 N -3.23 -0.12 0.00 1.78 0.04 -1.26 -1.72 135.00 130.49 2rqa s PRO 606 Ca 0.30 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2rqa s PRO 606 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2rqa s PRO 606 CO 0.21 -2.96 0.00 0.41 0.04 0.00 0.00 177.00 174.70 2rqa n GLY 607 N -2.35 2.38 3.06 0.56 0.00 0.49 -4.48 105.19 104.85 2rqa n GLY 607 Ca 0.13 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.02 0.16 -0.02 0.00 -1.21 -3.12 107.32 103.11 2rqa s GLY 608 Ca 0.00 0.10 -0.34 0.00 0.00 0.00 0.00 44.72 44.48 2rqa s GLY 608 CO 0.00 0.00 1.35 -0.62 0.00 0.00 0.00 173.10 173.84 2rqa n VAL 609 N 2.21 0.44 -4.02 1.40 0.31 -1.26 0.22 118.33 117.63 2rqa n VAL 609 Ca -0.18 -0.11 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 2rqa n VAL 609 Cb 0.57 -1.11 -0.04 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.28 4.88 -0.16 2.52 1.01 0.10 -1.86 121.20 127.96 2rqa s ILE 610 Ca 0.77 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 2rqa s ILE 610 Cb -0.81 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.22 2rqa s ILE 610 CO 0.47 -0.10 0.61 -0.94 0.00 0.00 0.00 174.94 174.98 2rqa s SER 611 N -3.16 -0.60 -0.08 3.58 1.04 -1.25 -1.74 113.70 111.48 2rqa s SER 611 Ca 0.33 0.98 -0.29 0.00 0.48 0.00 0.00 55.95 57.44 2rqa s SER 611 Cb -0.11 0.96 -0.05 0.00 0.10 0.00 0.00 66.02 66.93 2rqa s SER 611 CO 0.26 -0.35 1.71 0.00 0.98 0.00 0.00 173.24 175.84 2rqa h ARG 613 N 10.14 0.00 -0.08 0.00 2.43 -1.09 1.51 114.38 127.30 2rqa h ARG 613 Ca -0.39 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 2rqa h ARG 613 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2rqa h ARG 613 CO 0.96 0.25 -0.49 -0.91 -1.51 0.00 0.00 179.97 178.27 2rqa h ASN 614 N 0.00 0.21 0.00 -3.80 2.35 -1.89 -3.43 115.58 109.03 2rqa h ASN 614 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2rqa h ASN 614 Cb 0.81 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2rqa h ASN 614 CO 0.03 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.49 2rqa n GLY 616 N 2.52 0.43 3.43 0.00 0.00 0.51 -4.94 105.19 107.16 2rqa n GLY 616 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.58 1.61 4.07 -1.26 -3.78 120.64 119.87 2rqa n GLU 617 Ca 0.00 0.02 -0.46 0.00 -0.06 0.00 0.00 57.16 56.66 2rqa n GLU 617 Cb 0.00 -1.74 -0.02 0.00 -0.06 0.00 0.00 31.44 29.62 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 7.26 1.60 -0.11 6.31 0.31 -1.26 -2.70 118.33 129.73 2rqa n VAL 618 Ca 0.59 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 64.37 2rqa n VAL 618 Cb 0.07 -0.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.95 2rqa n VAL 618 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2rqa n TRP 619 N 0.69 0.00 0.00 3.52 8.01 -0.71 -4.88 117.44 124.06 2rqa n TRP 619 Ca 0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 2rqa n TRP 619 Cb 0.29 -0.94 0.00 0.00 -2.01 0.00 0.00 31.31 28.65 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 2.17 -0.41 3.19 6.99 0.00 -1.20 -3.28 105.19 112.65 2rqa n GLY 620 Ca -0.39 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 1.27 0.05 0.99 -0.00 -1.22 0.03 118.68 119.79 2rqa s LEU 621 Ca 0.00 -0.32 -0.25 0.00 -0.00 0.00 0.00 54.13 53.56 2rqa s LEU 621 Cb 0.00 1.03 -0.05 0.00 -0.00 0.00 0.00 46.19 47.17 2rqa s LEU 621 CO 0.00 -0.56 0.77 -1.58 -0.00 0.00 0.00 176.35 174.98 2rqa s GLN 622 N -2.53 4.50 -0.01 1.48 0.74 0.13 -1.99 119.66 121.99 2rqa s GLN 622 Ca -0.05 1.07 0.06 0.00 0.05 0.00 0.00 55.36 56.49 2rqa s GLN 622 Cb -0.01 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2rqa s GLN 622 CO -0.04 0.28 -0.20 -1.64 -0.55 0.00 0.00 175.29 173.15 2rqa s MET 623 N -0.06 2.22 -0.00 1.67 -1.94 1.00 0.19 119.30 122.37 2rqa s MET 623 Ca 0.39 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2rqa s MET 623 Cb -0.21 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 2rqa s MET 623 CO 0.23 0.57 -0.08 0.42 -0.01 0.00 0.00 175.02 176.15 2rqa s ILE 624 N -0.75 3.54 -0.24 2.53 1.09 -0.70 -0.05 121.20 126.61 2rqa s ILE 624 Ca 0.12 -0.78 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 2rqa s ILE 624 Cb -0.10 -2.52 0.11 0.00 -1.06 0.00 0.00 42.46 38.89 2rqa s ILE 624 CO 0.01 0.42 0.24 -0.47 -0.10 0.00 0.00 174.94 175.05 2rqa s TYR 625 N -0.95 -0.29 -1.57 3.97 5.04 -0.84 -2.77 117.35 119.94 2rqa s TYR 625 Ca 0.16 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2rqa s TYR 625 Cb -0.11 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.76 2rqa s TYR 625 CO 0.06 -0.74 0.00 1.63 -1.34 0.00 0.00 175.55 175.16 2rqa n LYS 626 N 5.31 -1.36 -2.32 4.97 4.76 -1.26 -2.02 118.16 126.24 2rqa n LYS 626 Ca -0.04 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 2rqa n LYS 626 Cb 0.48 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 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 -1.24 -1.87 -3.98 4.39 3.41 -1.26 -5.06 113.62 108.02 2rqa n SER 627 Ca -0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.11 2rqa n SER 627 Cb 0.64 -0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.93 1.52 -0.65 -3.33 1.01 -0.86 -5.07 120.40 110.09 2rqa s VAL 628 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2rqa s VAL 628 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2rqa s VAL 628 CO 0.00 0.21 1.70 -0.54 0.00 0.00 0.00 175.10 176.47 2rqa s LYS 629 N 1.46 2.78 -0.24 2.72 -0.14 -1.26 -1.99 119.74 123.07 2rqa s LYS 629 Ca 0.00 0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.99 2rqa s LYS 629 Cb -0.15 -4.34 0.05 0.00 -1.68 0.00 0.00 37.83 31.71 2rqa s LYS 629 CO -0.08 -2.58 -0.11 -0.51 -0.76 0.00 0.00 175.35 171.31 2rqa s LEU 630 N 8.16 2.97 0.63 3.17 1.43 0.93 -4.72 118.68 131.26 2rqa s LEU 630 Ca 0.58 -1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 2rqa s LEU 630 Cb -0.11 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2rqa s LEU 630 CO 0.19 -0.17 1.05 -2.16 0.23 0.00 0.00 176.35 175.49 2rqa s PRO 631 N 1.22 3.19 -0.35 1.29 0.04 -1.26 -0.00 135.00 139.13 2rqa s PRO 631 Ca -0.06 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.08 2rqa s PRO 631 Cb -0.18 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.44 2rqa s PRO 631 CO -0.07 -0.90 0.09 0.08 0.04 0.00 0.00 177.00 176.24 2rqa s VAL 632 N -2.73 1.94 0.45 -0.36 1.01 -0.84 -3.18 120.40 116.69 2rqa s VAL 632 Ca 0.61 -2.22 0.08 0.00 0.00 0.00 0.00 61.98 60.45 2rqa s VAL 632 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2rqa s VAL 632 CO 0.45 -0.65 0.58 -0.76 0.00 0.00 0.00 175.10 174.72 2rqa s LEU 633 N 0.94 3.53 0.00 3.92 2.01 -1.17 -3.46 118.68 124.45 2rqa s LEU 633 Ca 0.12 -0.53 0.04 0.00 0.01 0.00 0.00 54.13 53.77 2rqa s LEU 633 Cb -0.19 -2.42 0.04 0.00 0.01 0.00 0.00 46.19 43.64 2rqa s LEU 633 CO -0.11 -0.85 0.37 0.29 1.01 0.00 0.00 176.35 177.07 2rqa n LYS 634 N -1.88 0.84 -0.03 1.70 5.02 -1.21 -4.62 118.16 117.99 2rqa n LYS 634 Ca 0.09 -1.58 0.02 0.00 -2.02 0.00 0.00 58.31 54.81 2rqa n LYS 634 Cb 0.60 -0.08 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 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 -1.56 0.37 1.35 -0.18 3.14 -1.26 -3.70 118.33 116.49 2rqa n VAL 635 Ca 0.07 -0.42 0.14 0.00 -2.96 0.00 0.00 64.34 61.17 2rqa n VAL 635 Cb 0.30 -0.16 0.60 0.00 -1.06 0.00 0.00 33.84 33.52 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 -2.20 0.57 -0.00 1.45 1.85 -1.23 -3.33 116.66 113.77 2rqa n ARG 636 Ca -0.10 -0.18 0.04 0.00 -1.00 0.00 0.00 57.85 56.61 2rqa n ARG 636 Cb 0.60 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.46 2rqa n ARG 636 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rqa n SER 637 N -1.06 2.29 -4.54 2.89 2.88 -1.26 -4.88 113.62 109.93 2rqa n SER 637 Ca 0.13 -0.21 -0.35 0.00 -1.33 0.00 0.00 58.87 57.11 2rqa n SER 637 Cb 0.28 1.26 -0.11 0.00 -0.75 0.00 0.00 64.21 64.89 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2rqa s MET 638 N -2.32 3.82 0.27 -1.46 -1.94 -1.21 -2.55 119.30 113.90 2rqa s MET 638 Ca -0.01 -0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 53.44 2rqa s MET 638 Cb 0.06 -3.26 -0.08 0.00 2.01 0.00 0.00 34.83 33.56 2rqa s MET 638 CO 0.34 0.06 0.63 -1.17 -0.01 0.00 0.00 175.02 174.87 2rqa s LEU 639 N 0.95 4.13 -0.31 -0.03 2.96 0.15 -4.72 118.68 121.81 2rqa s LEU 639 Ca 0.04 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2rqa s LEU 639 Cb -0.14 -3.83 0.09 0.00 0.50 0.00 0.00 46.19 42.80 2rqa s LEU 639 CO 0.03 -0.12 0.00 -0.76 -1.32 0.00 0.00 176.35 174.18 2rqa s LEU 640 N -2.84 4.24 0.16 -0.68 1.43 -0.81 -1.84 118.68 118.34 2rqa s LEU 640 Ca 0.50 -1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.41 2rqa s LEU 640 Cb -0.11 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 2rqa s LEU 640 CO 0.19 -0.32 1.16 -1.61 0.23 0.00 0.00 176.35 176.00 2rqa s GLU 641 N 0.99 4.52 0.06 1.70 2.02 -1.18 -1.04 118.70 125.78 2rqa s GLU 641 Ca 0.05 1.79 -0.03 0.00 0.02 0.00 0.00 54.97 56.79 2rqa s GLU 641 Cb -0.19 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2rqa s GLU 641 CO -0.08 -0.05 0.04 0.95 0.02 0.00 0.00 175.26 176.14 2rqa s THR 642 N 0.06 0.19 -0.33 3.63 -4.23 -1.26 -3.45 115.64 110.25 2rqa s THR 642 Ca 0.52 -1.53 0.27 0.00 -1.18 0.00 0.00 61.69 59.77 2rqa s THR 642 Cb -0.31 -1.34 0.33 0.00 1.34 0.00 0.00 72.50 72.53 2rqa s THR 642 CO 0.35 -0.85 1.78 1.55 -0.54 0.00 0.00 174.62 176.91 2rqa h PRO 643 N 3.19 0.00 -0.01 3.99 0.13 -1.96 -2.60 132.00 134.74 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 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2rqa h PRO 643 CO 0.61 0.00 -0.36 1.04 -0.23 0.00 0.00 178.00 179.06 2rqa n GLN 644 N -2.78 0.68 0.00 0.86 6.02 -1.26 -5.00 117.38 115.91 2rqa n GLN 644 Ca 0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 2rqa n GLN 644 Cb 0.38 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 1.39 3.99 3.05 1.08 0.00 -0.98 -5.09 105.19 108.62 2rqa n GLY 645 Ca 0.10 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.07 0.00 -3.85 1.61 1.74 -1.26 -4.34 116.66 110.49 2rqa n ARG 646 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2rqa n ARG 646 Cb 0.00 -0.98 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.96 0.04 -0.17 0.55 1.01 -0.21 -4.89 121.20 115.59 2rqa s ILE 647 Ca 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 2rqa s ILE 647 Cb -0.33 -0.15 0.05 0.00 0.01 0.00 0.00 42.46 42.04 2rqa s ILE 647 CO 0.73 0.10 0.03 -1.58 0.00 0.00 0.00 174.94 174.22 2rqa s GLN 648 N 0.93 0.67 0.45 2.79 -0.44 -1.26 -1.92 119.66 120.88 2rqa s GLN 648 Ca -0.08 -0.32 0.05 0.00 -2.50 0.00 0.00 55.36 52.51 2rqa s GLN 648 Cb -0.12 -1.88 0.05 0.00 -1.64 0.00 0.00 33.01 29.42 2rqa s GLN 648 CO -0.02 -0.56 0.40 0.00 0.50 0.00 0.00 175.29 175.60 2rqa n ALA 649 N 5.06 0.75 -0.01 1.58 0.00 -1.26 -5.05 120.51 121.58 2rqa n ALA 649 Ca -0.09 -1.75 0.04 0.00 0.00 0.00 0.00 53.44 51.65 2rqa n ALA 649 Cb 0.48 0.67 -0.08 0.00 0.00 0.00 0.00 19.45 20.52 2rqa n ALA 649 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rqa n LYS 650 N -1.64 0.54 -4.10 0.00 5.02 -1.26 -3.58 118.16 113.14 2rqa n LYS 650 Ca 0.02 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 2rqa n LYS 650 Cb 0.50 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.67 0.63 0.38 1.97 -0.14 -1.26 -4.08 119.74 114.57 2rqa s LYS 651 Ca -0.04 -0.83 0.28 0.00 -1.36 0.00 0.00 55.97 54.02 2rqa s LYS 651 Cb 0.06 -0.48 1.29 0.00 -1.68 0.00 0.00 37.83 37.02 2rqa s LYS 651 CO 0.43 0.10 1.83 -1.49 -0.76 0.00 0.00 175.35 175.46 2rqa h TRP 652 N 4.42 0.00 0.00 3.18 4.06 -1.94 -1.02 115.95 124.64 2rqa h TRP 652 Ca -0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.57 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 0.64 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.95 2rqa n SER 653 N -2.51 0.24 -0.05 -3.49 7.64 -1.26 -1.35 113.62 112.84 2rqa n SER 653 Ca 0.00 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.45 2rqa n SER 653 Cb 0.17 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 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 -1.80 1.24 -1.59 1.43 5.12 -0.39 -5.00 116.66 115.67 2rqa n ARG 654 Ca 0.01 -0.05 -0.62 0.00 -1.93 0.00 0.00 57.85 55.26 2rqa n ARG 654 Cb 0.09 -1.37 -0.09 0.00 -1.16 0.00 0.00 32.46 29.93 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 -2.36 0.00 -0.03 1.55 0.31 -0.46 -4.86 118.33 112.48 2rqa n VAL 655 Ca -0.16 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2rqa n VAL 655 Cb 0.77 -0.20 -0.11 0.00 -0.91 0.00 0.00 33.84 33.39 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 3.78 -0.03 -7.10 5.55 0.13 -1.93 -3.46 132.00 128.94 2rqa h PRO 656 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 2rqa h PRO 656 Cb 1.41 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.68 2rqa h PRO 656 CO 0.77 0.67 0.50 -0.59 -0.23 0.00 0.00 178.00 179.12 2rqa s PHE 657 N -3.16 2.23 0.24 1.56 -0.12 -1.25 -4.81 117.98 112.67 2rqa s PHE 657 Ca -0.16 1.49 -0.19 0.00 -0.05 0.00 0.00 56.93 58.02 2rqa s PHE 657 Cb -0.01 -3.60 -0.08 0.00 -0.63 0.00 0.00 43.02 38.70 2rqa s PHE 657 CO 0.64 -2.60 0.74 -1.12 -0.05 0.00 0.00 175.22 172.83 2rqa s SER 658 N -1.47 7.04 -0.37 1.98 0.01 -1.26 -5.00 113.70 114.63 2rqa s SER 658 Ca 0.80 1.43 0.04 0.00 1.31 0.00 0.00 55.95 59.53 2rqa s SER 658 Cb -0.34 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 63.57 2rqa s SER 658 CO 0.37 -0.01 0.09 -0.69 0.41 0.00 0.00 173.24 173.40 2rqa s VAL 659 N -1.59 2.37 0.43 3.43 1.01 -1.26 -4.84 120.40 119.94 2rqa s VAL 659 Ca 0.45 -2.47 -0.23 0.00 0.00 0.00 0.00 61.98 59.73 2rqa s VAL 659 Cb -0.16 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 2rqa s VAL 659 CO 0.21 -0.63 1.05 -2.16 0.00 0.00 0.00 175.10 173.56 2rqa s PRO 660 N 0.75 4.03 0.95 2.72 0.04 -1.26 -4.22 135.00 138.00 2rqa s PRO 660 Ca 0.12 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 2rqa s PRO 660 Cb -0.20 -2.38 0.16 0.00 0.04 0.00 0.00 34.50 32.12 2rqa s PRO 660 CO -0.07 -0.25 1.11 -0.51 0.04 0.00 0.00 177.00 177.31 2rqa s ASP 661 N -1.71 2.76 -0.19 6.66 1.11 -1.26 0.10 116.67 124.15 2rqa s ASP 661 Ca 0.61 1.90 -0.20 0.00 0.18 0.00 0.00 52.55 55.04 2rqa s ASP 661 Cb -0.20 -2.45 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 2rqa s ASP 661 CO 0.25 -3.16 0.59 0.12 1.18 0.00 0.00 175.17 174.16 2rqa s PHE 662 N -2.68 3.39 -0.43 4.23 2.19 0.50 -4.51 117.98 120.68 2rqa s PHE 662 Ca 0.66 0.90 -0.11 0.00 0.33 0.00 0.00 56.93 58.71 2rqa s PHE 662 Cb -0.22 -2.75 0.07 0.00 -1.31 0.00 0.00 43.02 38.81 2rqa s PHE 662 CO 0.59 -0.12 0.30 -0.51 1.83 0.00 0.00 175.22 177.31 2rqa s ASP 663 N 1.13 5.82 0.51 6.13 1.11 -1.26 -4.87 116.67 125.23 2rqa s ASP 663 Ca 0.28 -1.39 0.25 0.00 0.18 0.00 0.00 52.55 51.87 2rqa s ASP 663 Cb -0.16 -2.06 1.36 0.00 1.07 0.00 0.00 42.92 43.13 2rqa s ASP 663 CO 0.11 -0.56 2.05 0.15 1.18 0.00 0.00 175.17 178.10 2rqa h PHE 664 N 8.52 0.00 0.22 4.23 3.04 -1.96 0.23 116.94 131.22 2rqa h PHE 664 Ca -0.25 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.69 2rqa h PHE 664 Cb 1.09 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 2rqa h PHE 664 CO 0.61 0.14 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.83 2rqa h LEU 665 N 0.00 -0.35 0.04 0.59 3.38 -1.98 0.31 115.31 117.31 2rqa h LEU 665 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rqa h LEU 665 Cb 0.34 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2rqa h LEU 665 CO 0.02 -0.22 -0.02 -0.61 0.09 0.00 0.00 178.44 177.70 2rqa h GLN 666 N -0.35 -0.05 -1.03 1.13 5.75 -1.89 -1.71 115.11 116.96 2rqa h GLN 666 Ca -0.02 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.78 2rqa h GLN 666 Cb 0.29 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 28.72 2rqa h GLN 666 CO 0.02 0.50 0.61 1.25 -2.65 0.00 0.00 178.83 178.55 2rqa h HIS 667 N -0.96 0.90 -0.11 3.99 2.76 -0.61 1.36 115.15 122.49 2rqa h HIS 667 Ca -0.01 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.96 2rqa h HIS 667 Cb 0.57 -0.25 0.01 0.00 1.55 0.00 0.00 27.41 29.29 2rqa h HIS 667 CO 0.14 -0.08 -0.87 0.00 -1.30 0.00 0.00 177.93 175.83 2rqa n ALA 669 N -2.62 1.62 0.21 0.00 0.00 0.37 -0.17 120.51 119.92 2rqa n ALA 669 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2rqa n ALA 669 Cb 0.79 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.75 1.21 -0.00 0.00 -0.58 0.37 -4.49 120.64 115.41 2rqa n GLU 670 Ca 0.03 -0.59 0.06 0.00 -0.42 0.00 0.00 57.16 56.23 2rqa n GLU 670 Cb 0.18 -1.00 -0.08 0.00 -0.57 0.00 0.00 31.44 29.97 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rqa n ASN 671 N -0.08 1.47 -3.08 1.62 5.03 0.17 -5.00 115.26 115.39 2rqa n ASN 671 Ca 0.02 -0.35 -0.14 0.00 0.87 0.00 0.00 54.58 54.98 2rqa n ASN 671 Cb 0.11 1.31 0.09 0.00 -1.02 0.00 0.00 39.78 40.27 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 -1.63 0.00 -1.14 3.41 4.77 0.76 -4.98 117.00 118.19 2rqa n LEU 672 Ca -0.00 -0.86 0.11 0.00 -0.03 0.00 0.00 56.01 55.23 2rqa n LEU 672 Cb 0.26 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.16 2rqa n LEU 672 CO 0.25 -0.90 0.73 -1.54 -1.33 0.00 0.00 177.39 174.60 2rqa n SER 673 N -3.26 3.37 0.22 -1.43 3.41 -1.26 -4.21 113.62 110.46 2rqa n SER 673 Ca 0.08 -1.97 0.15 0.00 -0.26 0.00 0.00 58.87 56.87 2rqa n SER 673 Cb 0.30 -0.31 0.80 0.00 -0.26 0.00 0.00 64.21 64.74 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2rqa h ASP 674 N 4.10 0.00 0.00 4.04 3.58 -1.92 -2.91 116.42 123.30 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 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2rqa h ASP 674 CO 0.00 0.00 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.03 2rqa h LEU 675 N 0.00 0.00 -7.00 2.28 -0.00 -1.82 -3.51 115.31 105.26 2rqa h LEU 675 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2rqa h LEU 675 Cb 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.53 2rqa h LEU 675 CO 0.00 0.40 0.33 -0.55 -0.00 0.00 0.00 178.44 178.61 2rqa s SER 676 N -4.68 -0.50 -0.08 -0.43 0.15 -1.10 -5.06 113.70 102.00 2rqa s SER 676 Ca -0.07 0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.60 2rqa s SER 676 Cb 0.01 0.49 -0.29 0.00 -1.71 0.00 0.00 66.02 64.53 2rqa s SER 676 CO 0.11 -0.74 0.61 -0.07 1.20 0.00 0.00 173.24 174.34 2rqa h LEU 677 N 2.22 0.49 0.00 3.45 4.07 -1.96 -3.42 115.31 120.16 2rqa h LEU 677 Ca -0.28 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 56.78 2rqa h LEU 677 Cb 1.25 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2rqa h LEU 677 CO 0.35 1.70 0.00 -0.67 -1.08 0.00 0.00 178.44 178.75