#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4r n GLN 545 N 0.00 -1.30 -3.64 -0.14 6.02 -1.26 -5.10 117.38 111.97 2w4r n GLN 545 Ca 0.00 -0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 56.85 2w4r n GLN 545 Cb 0.00 -0.10 -0.06 0.00 1.02 0.00 0.00 30.24 31.11 2w4r n GLN 545 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2w4r s GLN 546 N -3.14 0.63 0.30 -1.09 2.00 -1.26 -4.70 119.66 112.40 2w4r s GLN 546 Ca 0.04 1.30 0.11 0.00 -2.00 0.00 0.00 55.36 54.81 2w4r s GLN 546 Cb -0.00 0.47 -0.06 0.00 0.80 0.00 0.00 33.01 34.22 2w4r s GLN 546 CO 0.03 -0.17 -0.16 -0.06 -0.50 0.00 0.00 175.29 174.43 2w4r s PHE 547 N 2.21 2.31 0.29 1.67 0.08 0.78 -5.01 117.98 120.31 2w4r s PHE 547 Ca -0.08 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.28 2w4r s PHE 547 Cb -0.08 -1.12 -0.10 0.00 -0.57 0.00 0.00 43.02 41.15 2w4r s PHE 547 CO -0.19 0.66 1.29 -2.14 -0.10 0.00 0.00 175.22 174.74 2w4r s PRO 548 N -3.55 4.39 0.42 0.24 0.02 -1.26 -4.44 135.00 130.82 2w4r s PRO 548 Ca 0.31 2.13 0.18 0.00 0.02 0.00 0.00 61.00 63.64 2w4r s PRO 548 Cb -0.02 -3.12 1.09 0.00 0.02 0.00 0.00 34.50 32.47 2w4r s PRO 548 CO 0.15 -0.17 1.86 -0.39 -0.33 0.00 0.00 177.00 178.13 2w4r h VAL 549 N 3.25 0.68 0.00 3.83 -1.51 -1.91 0.31 116.25 120.90 2w4r h VAL 549 Ca -0.47 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2w4r h VAL 549 Cb 1.22 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2w4r h VAL 549 CO 0.69 0.07 0.19 -0.33 -1.23 0.00 0.00 177.57 176.97 2w4r h GLU 550 N 0.39 0.00 -0.07 5.19 3.07 -1.90 -2.07 114.58 119.19 2w4r h GLU 550 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2w4r h GLU 550 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2w4r h GLU 550 CO -0.17 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 178.16 2w4r n HIS 551 N -2.78 0.06 -3.91 4.33 8.25 0.11 -4.84 115.22 116.43 2w4r n HIS 551 Ca -0.02 -0.04 -0.35 0.00 -0.26 0.00 0.00 57.72 57.05 2w4r n HIS 551 Cb 0.24 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 2w4r n HIS 551 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w4r s VAL 552 N -1.56 3.32 0.07 1.59 1.01 -0.78 -3.87 120.40 120.18 2w4r s VAL 552 Ca 0.24 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2w4r s VAL 552 Cb 0.16 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2w4r s VAL 552 CO 0.24 0.40 0.18 -1.10 0.00 0.00 0.00 175.10 174.82 2w4r s GLN 553 N 1.47 3.30 -0.18 2.72 -1.52 -0.80 -1.08 119.66 123.57 2w4r s GLN 553 Ca 0.05 -0.50 -0.17 0.00 -1.95 0.00 0.00 55.36 52.79 2w4r s GLN 553 Cb -0.14 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.64 2w4r s GLN 553 CO -0.04 0.60 0.44 -0.51 -0.25 0.00 0.00 175.29 175.53 2w4r s LEU 554 N -2.49 4.18 0.19 2.90 1.43 0.97 -0.64 118.68 125.23 2w4r s LEU 554 Ca 0.34 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2w4r s LEU 554 Cb -0.13 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2w4r s LEU 554 CO 0.27 -0.07 -0.20 -0.76 0.23 0.00 0.00 176.35 175.81 2w4r s LEU 555 N 1.18 2.47 -0.08 1.79 1.43 -0.57 -0.05 118.68 124.85 2w4r s LEU 555 Ca 0.22 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 2w4r s LEU 555 Cb -0.15 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2w4r s LEU 555 CO 0.09 0.01 1.29 0.00 0.23 0.00 0.00 176.35 177.97 2w4r h ILE 557 N 5.19 0.24 0.00 0.00 6.09 -1.63 0.29 117.51 127.70 2w4r h ILE 557 Ca -0.33 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 2w4r h ILE 557 Cb 1.15 0.21 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2w4r h ILE 557 CO 0.92 0.01 -0.03 -3.20 -3.07 0.00 0.00 178.15 172.78 2w4r n ASN 558 N -4.17 0.08 0.20 2.19 4.05 -1.26 -4.60 115.26 111.75 2w4r n ASN 558 Ca 0.34 0.23 0.12 0.00 0.45 0.00 0.00 54.58 55.72 2w4r n ASN 558 Cb 1.53 -0.52 0.15 0.00 1.23 0.00 0.00 39.78 42.17 2w4r n ASN 558 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2w4r n MET 560 N -2.99 -1.00 -2.47 0.00 2.81 0.10 -4.93 117.12 108.63 2w4r n MET 560 Ca 0.03 0.83 -0.39 0.00 -1.81 0.00 0.00 57.70 56.36 2w4r n MET 560 Cb 0.53 -4.99 -0.04 0.00 -0.71 0.00 0.00 33.22 28.01 2w4r n MET 560 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2w4r s VAL 561 N -2.58 3.50 -0.14 2.03 0.11 -1.26 -4.62 120.40 117.43 2w4r s VAL 561 Ca 0.00 1.42 -0.29 0.00 -2.93 0.00 0.00 61.98 60.18 2w4r s VAL 561 Cb 0.00 -3.87 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2w4r s VAL 561 CO 0.00 0.27 1.88 0.00 -3.33 0.00 0.00 175.10 173.92 2w4r s ALA 562 N -1.27 3.22 -0.00 1.54 0.00 -1.26 -2.75 121.76 121.24 2w4r s ALA 562 Ca 0.48 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.25 2w4r s ALA 562 Cb -0.30 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 2w4r s ALA 562 CO 0.39 -2.05 0.02 1.33 0.00 0.00 0.00 175.76 175.44 2w4r n VAL 563 N 6.50 0.00 -3.70 0.00 0.24 0.93 -4.99 118.33 117.31 2w4r n VAL 563 Ca 0.22 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.43 2w4r n VAL 563 Cb 0.44 0.36 0.02 0.00 -1.47 0.00 0.00 33.84 33.20 2w4r n VAL 563 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w4r n GLY 564 N 2.49 1.08 3.13 7.63 0.00 -0.82 -4.92 105.19 113.79 2w4r n GLY 564 Ca -0.00 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 2w4r n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2w4r s HIS 565 N -3.08 1.89 -0.03 1.61 3.76 -1.26 -0.02 115.29 118.15 2w4r s HIS 565 Ca 0.14 -0.65 0.26 0.00 -0.15 0.00 0.00 55.06 54.66 2w4r s HIS 565 Cb -0.04 -1.29 1.42 0.00 1.11 0.00 0.00 32.58 33.77 2w4r s HIS 565 CO 0.10 -0.26 1.80 0.78 -0.85 0.00 0.00 174.74 176.30 2w4r h GLY 566 N 6.56 0.00 2.00 -2.22 0.00 -1.27 0.82 103.07 108.97 2w4r h GLY 566 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2w4r h GLY 566 CO 0.47 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 2w4r n SER 567 N -2.41 0.10 -0.14 0.19 3.41 -1.25 -2.93 113.62 110.59 2w4r n SER 567 Ca -0.02 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 2w4r n SER 567 Cb 0.04 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 63.63 2w4r n SER 567 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2w4r n ASP 568 N -1.60 0.97 -4.76 4.04 8.00 0.28 -4.94 116.55 118.55 2w4r n ASP 568 Ca 0.07 -0.77 -0.40 0.00 0.71 0.00 0.00 54.79 54.40 2w4r n ASP 568 Cb 0.34 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 2w4r n ASP 568 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2w4r s LEU 569 N -2.78 4.46 0.04 0.64 1.43 -1.15 -2.13 118.68 119.19 2w4r s LEU 569 Ca 0.15 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2w4r s LEU 569 Cb 0.18 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2w4r s LEU 569 CO 0.66 -0.26 -0.04 -0.13 0.23 0.00 0.00 176.35 176.81 2w4r s ARG 570 N -1.69 0.44 -0.20 1.70 3.00 -0.37 -4.51 118.95 117.32 2w4r s ARG 570 Ca 0.48 -0.80 -0.10 0.00 0.00 0.00 0.00 55.73 55.31 2w4r s ARG 570 Cb -0.31 0.02 -0.05 0.00 0.00 0.00 0.00 34.95 34.61 2w4r s ARG 570 CO 0.40 -0.04 0.13 0.15 0.00 0.00 0.00 175.30 175.94 2w4r s LYS 571 N -2.09 4.17 -0.13 3.54 1.02 -0.55 -1.14 119.74 124.56 2w4r s LYS 571 Ca -0.09 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.68 2w4r s LYS 571 Cb -0.06 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2w4r s LYS 571 CO -0.03 0.27 -0.16 0.08 -0.92 0.00 0.00 175.35 174.59 2w4r s VAL 572 N 0.46 2.77 -1.43 3.17 1.01 0.77 0.13 120.40 127.27 2w4r s VAL 572 Ca 0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2w4r s VAL 572 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2w4r s VAL 572 CO -0.01 0.53 0.21 -0.62 0.00 0.00 0.00 175.10 175.22 2w4r n GLU 573 N 3.58 -2.87 0.00 2.72 1.02 -1.26 -2.03 120.64 121.80 2w4r n GLU 573 Ca -0.18 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2w4r n GLU 573 Cb 0.53 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 2w4r n GLU 573 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2w4r n GLY 574 N -1.09 1.65 0.13 0.62 0.00 -1.26 -4.62 105.19 100.62 2w4r n GLY 574 Ca -0.15 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 2w4r n GLY 574 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w4r n THR 575 N 0.00 1.57 -2.10 2.61 -2.24 -1.15 -4.85 114.28 108.13 2w4r n THR 575 Ca 0.00 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2w4r n THR 575 Cb 0.00 -1.83 -0.03 0.00 -2.10 0.00 0.00 70.33 66.37 2w4r n THR 575 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2w4r s HIS 576 N -2.47 2.61 -0.41 4.78 3.76 -0.86 -4.80 115.29 117.90 2w4r s HIS 576 Ca -0.32 0.58 -0.15 0.00 -0.15 0.00 0.00 55.06 55.02 2w4r s HIS 576 Cb 0.10 -3.79 0.02 0.00 1.11 0.00 0.00 32.58 30.02 2w4r s HIS 576 CO 0.59 -3.08 0.30 -1.01 -0.85 0.00 0.00 174.74 170.68 2w4r s HIS 577 N 2.66 3.24 0.37 1.40 3.76 -1.26 -0.17 115.29 125.29 2w4r s HIS 577 Ca 0.68 -0.65 0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2w4r s HIS 577 Cb -0.34 -2.62 -0.01 0.00 1.11 0.00 0.00 32.58 30.71 2w4r s HIS 577 CO 0.29 -0.61 0.43 0.14 -0.85 0.00 0.00 174.74 174.13 2w4r s VAL 578 N 1.66 3.40 -0.11 -0.90 -7.23 -0.30 -0.09 120.40 116.84 2w4r s VAL 578 Ca 0.05 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 2w4r s VAL 578 Cb -0.19 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.56 2w4r s VAL 578 CO 0.09 -0.09 -0.15 0.21 -0.31 0.00 0.00 175.10 174.85 2w4r s ASN 579 N -4.16 3.88 0.00 4.85 3.84 -0.97 -1.23 114.94 121.15 2w4r s ASN 579 Ca 0.47 -0.34 0.06 0.00 0.21 0.00 0.00 52.86 53.26 2w4r s ASN 579 Cb -0.07 -1.46 0.17 0.00 -0.55 0.00 0.00 41.25 39.33 2w4r s ASN 579 CO 0.30 0.19 1.09 1.33 -2.79 0.00 0.00 177.10 177.22 2w4r n VAL 580 N 3.34 0.86 -2.58 -5.21 0.24 -0.90 -4.23 118.33 109.84 2w4r n VAL 580 Ca -0.18 -0.93 -0.43 0.00 -2.04 0.00 0.00 64.34 60.76 2w4r n VAL 580 Cb 0.53 0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 2w4r n VAL 580 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2w4r s ASN 581 N -0.94 7.05 0.21 -1.34 2.47 -1.26 -4.94 114.94 116.19 2w4r s ASN 581 Ca 0.13 1.49 -0.08 0.00 0.42 0.00 0.00 52.86 54.82 2w4r s ASN 581 Cb 0.07 -2.54 0.16 0.00 -1.45 0.00 0.00 41.25 37.49 2w4r s ASN 581 CO 0.09 -0.69 1.80 1.55 -3.72 0.00 0.00 177.10 176.13 2w4r h PRO 582 N 7.70 1.15 0.00 0.43 0.13 -2.01 -1.23 132.00 138.17 2w4r h PRO 582 Ca -0.22 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2w4r h PRO 582 Cb 1.08 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2w4r h PRO 582 CO 0.97 0.89 0.08 0.09 -0.23 0.00 0.00 178.00 179.80 2w4r n ASN 583 N -4.35 0.00 -0.04 1.44 3.02 -1.26 -2.33 115.26 111.75 2w4r n ASN 583 Ca 0.07 0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.90 2w4r n ASN 583 Cb 0.14 -0.32 0.17 0.00 -0.61 0.00 0.00 39.78 39.16 2w4r n ASN 583 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2w4r h PHE 584 N 0.00 0.69 0.00 3.10 3.57 -1.57 -2.70 116.94 120.03 2w4r h PHE 584 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2w4r h PHE 584 Cb 0.15 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2w4r h PHE 584 CO 0.00 0.76 0.06 -1.13 -2.23 0.00 0.00 178.31 175.76 2w4r n SER 585 N -4.15 0.49 0.00 0.41 3.41 -0.98 -0.60 113.62 112.20 2w4r n SER 585 Ca 0.00 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2w4r n SER 585 Cb 0.38 -0.75 0.47 0.00 -0.26 0.00 0.00 64.21 64.04 2w4r n SER 585 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2w4r n ASN 586 N -2.18 0.00 -0.00 4.04 5.03 -1.02 -3.26 115.26 117.88 2w4r n ASN 586 Ca -0.01 -0.04 0.02 0.00 0.87 0.00 0.00 54.58 55.42 2w4r n ASN 586 Cb 0.08 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.56 2w4r n ASN 586 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2w4r n TYR 587 N -1.25 0.00 -4.55 3.10 4.01 0.23 -4.92 117.16 113.78 2w4r n TYR 587 Ca 0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 2w4r n TYR 587 Cb 0.14 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.00 2w4r n TYR 587 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2w4r s TYR 588 N -1.63 1.44 0.17 -0.72 1.13 -1.20 -0.09 117.35 116.45 2w4r s TYR 588 Ca 0.01 -0.33 -0.11 0.00 -1.41 0.00 0.00 57.07 55.24 2w4r s TYR 588 Cb 0.04 -0.88 -0.07 0.00 -1.10 0.00 0.00 41.96 39.95 2w4r s TYR 588 CO 0.20 0.03 0.51 -0.80 -2.51 0.00 0.00 175.55 172.98 2w4r s ASN 589 N -0.90 6.68 -0.01 -0.18 0.01 0.81 -4.80 114.94 116.55 2w4r s ASN 589 Ca 0.05 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 2w4r s ASN 589 Cb -0.07 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2w4r s ASN 589 CO 0.01 0.04 0.04 -0.69 -1.51 0.00 0.00 177.10 174.99 2w4r s VAL 590 N -1.62 4.46 -0.03 1.60 1.01 -1.26 -1.20 120.40 123.37 2w4r s VAL 590 Ca 0.41 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2w4r s VAL 590 Cb -0.13 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2w4r s VAL 590 CO 0.20 0.37 0.00 -0.94 0.00 0.00 0.00 175.10 174.74 2w4r s SER 591 N -1.62 0.46 -1.17 3.32 1.04 0.28 -4.95 113.70 111.07 2w4r s SER 591 Ca 0.21 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.40 2w4r s SER 591 Cb -0.12 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 2w4r s SER 591 CO 0.12 -0.11 1.86 0.00 0.98 0.00 0.00 173.24 176.09 2w4r s ARG 592 N 1.08 2.95 -0.87 4.02 1.70 -1.26 -0.45 118.95 126.11 2w4r s ARG 592 Ca -0.09 -1.27 0.01 0.00 -0.47 0.00 0.00 55.73 53.91 2w4r s ARG 592 Cb -0.13 -5.30 0.30 0.00 -0.57 0.00 0.00 34.95 29.24 2w4r s ARG 592 CO -0.02 -3.37 1.29 -0.25 -1.08 0.00 0.00 175.30 171.88 2w4r n ASP 593 N 12.48 5.67 -4.59 -2.89 9.92 -1.26 -4.99 116.55 130.89 2w4r n ASP 593 Ca 0.45 -3.54 -0.34 0.00 -0.53 0.00 0.00 54.79 50.82 2w4r n ASP 593 Cb 0.47 -0.97 0.11 0.00 -0.64 0.00 0.00 41.12 40.09 2w4r n ASP 593 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2w4r n PRO 594 N 0.57 0.20 -3.79 -0.24 -0.02 -1.26 -4.74 135.00 125.70 2w4r n PRO 594 Ca 0.33 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 2w4r n PRO 594 Cb 0.34 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 2w4r n PRO 594 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2w4r s VAL 595 N -2.06 0.12 -0.16 -1.45 1.01 -1.26 -5.14 120.40 111.46 2w4r s VAL 595 Ca 0.69 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2w4r s VAL 595 Cb -0.30 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 34.87 2w4r s VAL 595 CO 0.55 -0.55 0.39 -0.69 0.00 0.00 0.00 175.10 174.80 2w4r s VAL 596 N -3.74 -0.02 0.00 2.92 1.01 -1.26 -5.07 120.40 114.24 2w4r s VAL 596 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2w4r s VAL 596 Cb 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2w4r s VAL 596 CO -0.11 0.03 0.00 0.49 0.00 0.00 0.00 175.10 175.52 2w4r n PHE 601 N 4.01 0.00 0.00 5.22 0.99 -1.26 -5.31 117.46 121.11 2w4r n PHE 601 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 2w4r n PHE 601 Cb 0.55 -0.43 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 2w4r n PHE 601 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 2w4r n LYS 602 N -0.20 2.17 -0.14 -1.08 2.85 -1.26 -4.71 118.16 115.80 2w4r n LYS 602 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 2w4r n LYS 602 Cb 0.05 -0.92 0.14 0.00 -0.65 0.00 0.00 35.03 33.65 2w4r n LYS 602 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2w4r n ASP 603 N -1.51 2.77 -3.92 -5.58 8.00 -1.26 -4.97 116.55 110.08 2w4r n ASP 603 Ca 0.00 -1.86 -0.20 0.00 0.71 0.00 0.00 54.79 53.45 2w4r n ASP 603 Cb 0.21 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 40.97 2w4r n ASP 603 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2w4r s TRP 604 N -1.03 0.75 -0.19 1.24 0.52 -1.26 -4.52 118.94 114.45 2w4r s TRP 604 Ca 0.23 -0.20 -0.12 0.00 0.02 0.00 0.00 56.10 56.04 2w4r s TRP 604 Cb 0.13 -0.63 -0.05 0.00 -1.15 0.00 0.00 33.47 31.78 2w4r s TRP 604 CO 0.18 -0.16 0.21 0.15 0.02 0.00 0.00 176.95 177.35 2w4r s LYS 605 N 0.69 4.21 0.33 4.98 -0.14 0.38 -4.81 119.74 125.37 2w4r s LYS 605 Ca -0.09 -0.08 -0.29 0.00 -1.36 0.00 0.00 55.97 54.15 2w4r s LYS 605 Cb -0.12 -3.43 -0.11 0.00 -1.68 0.00 0.00 37.83 32.48 2w4r s LYS 605 CO 0.00 0.24 1.46 -1.25 -0.76 0.00 0.00 175.35 175.05 2w4r s PRO 606 N 0.49 4.19 0.00 -1.68 0.04 -1.26 -0.39 135.00 136.39 2w4r s PRO 606 Ca 0.12 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2w4r s PRO 606 Cb -0.12 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2w4r s PRO 606 CO 0.01 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2w4r n GLY 607 N 1.13 1.10 3.95 0.56 0.00 0.24 -4.85 105.19 107.32 2w4r n GLY 607 Ca 0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2w4r n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w4r s GLY 608 N 0.00 1.75 0.21 -0.02 0.00 -1.26 -4.56 107.32 103.44 2w4r s GLY 608 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.32 2w4r s GLY 608 CO 0.00 -0.77 0.90 0.14 0.00 0.00 0.00 173.10 173.37 2w4r s VAL 609 N -3.02 4.19 -0.11 1.40 1.01 0.40 -0.02 120.40 124.24 2w4r s VAL 609 Ca 0.59 1.99 -0.00 0.00 0.00 0.00 0.00 61.98 64.55 2w4r s VAL 609 Cb -0.11 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2w4r s VAL 609 CO 0.42 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 175.29 2w4r s ILE 610 N -1.07 3.50 0.04 2.22 1.01 0.13 -0.55 121.20 126.49 2w4r s ILE 610 Ca 0.40 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2w4r s ILE 610 Cb -0.25 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2w4r s ILE 610 CO 0.30 0.55 0.24 -0.94 0.00 0.00 0.00 174.94 175.09 2w4r s SER 611 N -0.12 -0.04 0.06 3.58 1.04 -0.34 -0.68 113.70 117.20 2w4r s SER 611 Ca 0.01 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 2w4r s SER 611 Cb -0.13 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 2w4r s SER 611 CO 0.03 -0.59 1.80 0.00 0.98 0.00 0.00 173.24 175.47 2w4r h ARG 613 N 9.22 0.00 0.00 0.00 2.43 -0.81 -0.58 114.38 124.64 2w4r h ARG 613 Ca -0.45 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 2w4r h ARG 613 Cb 1.21 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 2w4r h ARG 613 CO 0.94 0.00 -2.26 -1.71 -1.51 0.00 0.00 179.97 175.43 2w4r n ASN 614 N -3.88 0.21 0.00 -3.80 5.15 -1.26 -4.68 115.26 107.00 2w4r n ASN 614 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2w4r n ASN 614 Cb 0.80 1.17 0.00 0.00 -0.53 0.00 0.00 39.78 41.23 2w4r n ASN 614 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2w4r n GLY 616 N 0.31 0.70 3.72 0.00 0.00 -0.24 -4.97 105.19 104.73 2w4r n GLY 616 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2w4r n GLY 616 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w4r n GLU 617 N -2.51 2.55 -2.57 1.61 -0.58 -1.26 -4.44 120.64 113.44 2w4r n GLU 617 Ca 0.00 0.91 -0.42 0.00 -0.42 0.00 0.00 57.16 57.23 2w4r n GLU 617 Cb 0.00 -2.67 -0.03 0.00 -0.57 0.00 0.00 31.44 28.17 2w4r n GLU 617 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2w4r s VAL 618 N 0.16 4.50 -0.09 2.62 1.01 -1.26 0.22 120.40 127.56 2w4r s VAL 618 Ca 0.67 1.80 0.19 0.00 0.00 0.00 0.00 61.98 64.63 2w4r s VAL 618 Cb -0.54 -4.16 -0.28 0.00 0.00 0.00 0.00 36.38 31.41 2w4r s VAL 618 CO 0.46 0.03 0.29 0.79 0.00 0.00 0.00 175.10 176.68 2w4r n TRP 619 N 4.87 0.00 -1.02 5.22 8.01 0.14 -4.87 117.44 129.78 2w4r n TRP 619 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2w4r n TRP 619 Cb 0.48 -0.63 0.00 0.00 -2.01 0.00 0.00 31.31 29.14 2w4r n TRP 619 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2w4r n GLY 620 N 1.56 -0.41 3.05 6.99 0.00 -1.21 -0.37 105.19 114.80 2w4r n GLY 620 Ca -0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 2w4r n GLY 620 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2w4r s LEU 621 N 0.00 2.41 0.68 0.99 2.34 -1.01 -0.70 118.68 123.40 2w4r s LEU 621 Ca 0.00 -0.83 -0.13 0.00 0.06 0.00 0.00 54.13 53.23 2w4r s LEU 621 Cb 0.00 0.16 0.01 0.00 -0.56 0.00 0.00 46.19 45.80 2w4r s LEU 621 CO 0.00 -0.50 1.07 -1.10 -1.06 0.00 0.00 176.35 174.77 2w4r s GLN 622 N -3.09 2.85 -0.01 1.48 -0.21 0.96 -0.94 119.66 120.70 2w4r s GLN 622 Ca -0.01 1.14 0.01 0.00 0.02 0.00 0.00 55.36 56.52 2w4r s GLN 622 Cb 0.02 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.06 2w4r s GLN 622 CO -0.07 -1.18 -0.02 1.41 -2.12 0.00 0.00 175.29 173.31 2w4r s MET 623 N -4.60 0.20 0.02 2.91 -2.45 0.62 -0.59 119.30 115.41 2w4r s MET 623 Ca 0.62 -0.05 0.06 0.00 -1.25 0.00 0.00 55.69 55.07 2w4r s MET 623 Cb -0.16 -0.23 -0.02 0.00 1.25 0.00 0.00 34.83 35.66 2w4r s MET 623 CO 0.48 0.01 -0.18 0.42 1.05 0.00 0.00 175.02 176.81 2w4r s ILE 624 N 0.16 1.43 -0.15 10.11 1.09 0.48 -0.02 121.20 134.30 2w4r s ILE 624 Ca -0.01 -1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 58.48 2w4r s ILE 624 Cb -0.03 -1.23 0.07 0.00 -1.06 0.00 0.00 42.46 40.20 2w4r s ILE 624 CO -0.00 0.21 0.32 -0.47 -0.10 0.00 0.00 174.94 174.90 2w4r s TYR 625 N -0.68 -0.55 -1.42 3.97 6.14 -0.48 -0.47 117.35 123.85 2w4r s TYR 625 Ca 0.06 1.16 -0.04 0.00 0.64 0.00 0.00 57.07 58.89 2w4r s TYR 625 Cb -0.08 0.10 0.03 0.00 0.42 0.00 0.00 41.96 42.43 2w4r s TYR 625 CO 0.01 -0.39 0.64 1.17 0.64 0.00 0.00 175.55 177.62 2w4r n LYS 626 N 5.22 -4.17 -0.96 4.97 3.00 -1.26 -1.96 118.16 122.99 2w4r n LYS 626 Ca -0.09 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 2w4r n LYS 626 Cb 0.50 -4.95 0.00 0.00 0.00 0.00 0.00 35.03 30.58 2w4r n LYS 626 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2w4r n SER 627 N -2.95 -2.88 -4.40 3.14 2.88 -1.26 -5.04 113.62 103.11 2w4r n SER 627 Ca -0.21 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.00 2w4r n SER 627 Cb 0.64 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.48 2w4r n SER 627 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2w4r s VAL 628 N -2.00 2.91 -0.25 2.46 1.01 -0.83 -5.04 120.40 118.66 2w4r s VAL 628 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2w4r s VAL 628 Cb 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2w4r s VAL 628 CO 0.00 0.56 -0.08 -0.54 0.00 0.00 0.00 175.10 175.04 2w4r s LYS 629 N -0.20 2.68 0.02 2.72 1.02 -1.26 -1.38 119.74 123.34 2w4r s LYS 629 Ca -0.00 -1.07 0.08 0.00 0.02 0.00 0.00 55.97 55.00 2w4r s LYS 629 Cb -0.13 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2w4r s LYS 629 CO 0.03 -0.43 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.29 2w4r s LEU 630 N 1.26 2.34 -0.34 3.17 1.43 0.97 -4.91 118.68 122.60 2w4r s LEU 630 Ca -0.02 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 2w4r s LEU 630 Cb -0.17 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2w4r s LEU 630 CO -0.05 0.28 1.20 -2.16 0.23 0.00 0.00 176.35 175.85 2w4r s PRO 631 N -1.08 3.92 -0.24 1.29 0.04 -1.26 -0.28 135.00 137.39 2w4r s PRO 631 Ca 0.12 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 2w4r s PRO 631 Cb -0.10 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 2w4r s PRO 631 CO 0.02 -1.11 0.61 0.08 0.04 0.00 0.00 177.00 176.63 2w4r s VAL 632 N 4.19 5.01 -0.11 -0.36 1.01 -0.12 -2.29 120.40 127.73 2w4r s VAL 632 Ca 0.51 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 2w4r s VAL 632 Cb -0.13 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2w4r s VAL 632 CO 0.22 0.06 0.28 -0.76 0.00 0.00 0.00 175.10 174.90 2w4r s LEU 633 N 2.33 4.33 -0.03 3.92 1.43 0.88 -2.39 118.68 129.14 2w4r s LEU 633 Ca 0.26 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 53.71 2w4r s LEU 633 Cb -0.16 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2w4r s LEU 633 CO 0.09 0.23 0.73 -0.54 0.23 0.00 0.00 176.35 177.09 2w4r s LYS 634 N -0.25 4.45 0.22 1.70 1.02 0.50 -4.50 119.74 122.89 2w4r s LYS 634 Ca 0.18 0.96 -0.09 0.00 0.02 0.00 0.00 55.97 57.04 2w4r s LYS 634 Cb -0.14 -3.42 0.21 0.00 -0.52 0.00 0.00 37.83 33.96 2w4r s LYS 634 CO 0.06 0.13 1.87 -0.24 -0.92 0.00 0.00 175.35 176.25 2w4r h VAL 635 N 4.57 1.15 0.00 3.17 3.04 -1.91 -2.06 116.25 124.21 2w4r h VAL 635 Ca -0.42 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2w4r h VAL 635 Cb 1.20 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2w4r h VAL 635 CO 0.74 0.18 0.00 -1.14 -1.01 0.00 0.00 177.57 176.34 2w4r n ARG 636 N -4.58 0.15 0.00 4.17 0.63 -1.26 -1.47 116.66 114.30 2w4r n ARG 636 Ca 0.09 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.32 2w4r n ARG 636 Cb 0.06 -1.50 0.19 0.00 0.45 0.00 0.00 32.46 31.67 2w4r n ARG 636 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2w4r n SER 637 N -1.35 2.28 -4.59 6.15 3.41 -0.77 -4.89 113.62 113.87 2w4r n SER 637 Ca 0.06 -1.68 -0.32 0.00 -0.26 0.00 0.00 58.87 56.67 2w4r n SER 637 Cb 0.13 0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 2w4r n SER 637 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2w4r s MET 638 N -2.16 2.56 -0.29 4.33 -1.94 -0.54 -1.78 119.30 119.48 2w4r s MET 638 Ca 0.28 -0.71 -0.06 0.00 -1.71 0.00 0.00 55.69 53.49 2w4r s MET 638 Cb 0.20 -2.50 0.01 0.00 2.01 0.00 0.00 34.83 34.55 2w4r s MET 638 CO 0.39 0.61 0.07 -1.17 -0.01 0.00 0.00 175.02 174.91 2w4r s LEU 639 N -1.32 3.79 -0.38 -0.03 2.96 0.30 -4.49 118.68 119.52 2w4r s LEU 639 Ca 0.16 -0.73 -0.27 0.00 -0.22 0.00 0.00 54.13 53.08 2w4r s LEU 639 Cb -0.11 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.74 2w4r s LEU 639 CO 0.06 -0.19 0.97 -0.76 -1.32 0.00 0.00 176.35 175.11 2w4r s LEU 640 N 1.48 3.95 -0.93 -0.68 1.43 -0.24 -1.51 118.68 122.18 2w4r s LEU 640 Ca 0.02 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 2w4r s LEU 640 Cb -0.17 -3.32 0.17 0.00 0.03 0.00 0.00 46.19 42.89 2w4r s LEU 640 CO 0.02 -0.91 1.04 -0.70 0.23 0.00 0.00 176.35 176.03 2w4r s GLU 641 N 3.61 3.68 0.70 1.70 2.12 0.19 -0.48 118.70 130.21 2w4r s GLU 641 Ca 0.40 -2.14 -0.09 0.00 0.36 0.00 0.00 54.97 53.50 2w4r s GLU 641 Cb -0.11 -4.76 0.04 0.00 0.26 0.00 0.00 34.13 29.56 2w4r s GLU 641 CO 0.20 -1.59 1.05 0.95 -0.54 0.00 0.00 175.26 175.33 2w4r s THR 642 N 1.57 2.99 -0.88 -1.70 -4.23 0.21 -1.90 115.64 111.71 2w4r s THR 642 Ca 0.29 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 2w4r s THR 642 Cb -0.07 -3.28 0.10 0.00 1.34 0.00 0.00 72.50 70.59 2w4r s THR 642 CO -0.08 -0.34 1.33 -0.81 -0.54 0.00 0.00 174.62 174.18 2w4r n PRO 643 N -2.95 0.03 0.13 3.99 -0.04 -1.25 -1.31 135.00 133.59 2w4r n PRO 643 Ca 0.07 0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 2w4r n PRO 643 Cb 0.59 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2w4r n PRO 643 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2w4r h GLN 644 N 0.00 0.00 0.00 0.54 5.75 -1.94 -3.50 115.11 115.96 2w4r h GLN 644 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2w4r h GLN 644 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2w4r h GLN 644 CO 0.00 0.52 0.00 0.41 -2.65 0.00 0.00 178.83 177.11 2w4r n GLY 645 N 1.25 0.75 3.27 2.39 0.00 -0.43 -5.09 105.19 107.33 2w4r n GLY 645 Ca 0.01 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 2w4r n GLY 645 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w4r s ARG 646 N -1.96 3.27 -0.04 1.61 0.52 -1.26 0.66 118.95 121.74 2w4r s ARG 646 Ca 0.00 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2w4r s ARG 646 Cb 0.00 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.69 2w4r s ARG 646 CO 0.00 -0.09 -0.13 0.96 0.02 0.00 0.00 175.30 176.06 2w4r s ILE 647 N 1.12 1.15 -0.22 1.52 -4.36 0.37 -4.92 121.20 115.86 2w4r s ILE 647 Ca 0.01 -0.55 -0.09 0.00 -0.26 0.00 0.00 60.65 59.77 2w4r s ILE 647 Cb -0.14 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 2w4r s ILE 647 CO -0.03 0.34 0.10 0.00 0.24 0.00 0.00 174.94 175.60 2w4r s GLN 648 N 0.23 3.97 0.45 0.37 -2.07 -1.26 -1.08 119.66 120.26 2w4r s GLN 648 Ca -0.06 -0.33 0.08 0.00 -1.82 0.00 0.00 55.36 53.22 2w4r s GLN 648 Cb -0.12 -3.36 0.02 0.00 -1.09 0.00 0.00 33.01 28.46 2w4r s GLN 648 CO 0.02 0.12 0.61 0.00 -1.32 0.00 0.00 175.29 174.72 2w4r s ALA 649 N 0.83 4.51 0.00 2.60 0.00 -1.26 -5.04 121.76 123.40 2w4r s ALA 649 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2w4r s ALA 649 Cb -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2w4r s ALA 649 CO 0.02 -0.39 0.24 1.17 0.00 0.00 0.00 175.76 176.80 2w4r n LYS 650 N -1.94 0.35 -3.76 0.00 3.00 -1.26 -4.03 118.16 110.53 2w4r n LYS 650 Ca 0.09 -0.24 -0.13 0.00 -0.00 0.00 0.00 58.31 58.03 2w4r n LYS 650 Cb 0.59 -0.70 -0.13 0.00 0.00 0.00 0.00 35.03 34.79 2w4r n LYS 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2w4r s LYS 651 N -0.12 0.15 0.36 1.64 1.02 -1.26 -4.88 119.74 116.65 2w4r s LYS 651 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.42 2w4r s LYS 651 Cb 0.00 -0.10 0.66 0.00 -0.52 0.00 0.00 37.83 37.88 2w4r s LYS 651 CO 0.00 -0.13 1.96 -1.49 -0.92 0.00 0.00 175.35 174.77 2w4r h TRP 652 N 6.92 0.64 0.00 3.18 4.06 -1.95 -1.31 115.95 127.48 2w4r h TRP 652 Ca -0.38 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2w4r h TRP 652 Cb 1.16 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 2w4r h TRP 652 CO 0.40 0.48 0.00 -1.13 -3.56 0.00 0.00 178.44 174.64 2w4r n SER 653 N -4.38 0.00 -0.17 -3.49 3.41 -1.26 -2.29 113.62 105.44 2w4r n SER 653 Ca 0.04 -0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.54 2w4r n SER 653 Cb 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.21 2w4r n SER 653 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2w4r n ARG 654 N -0.98 1.15 -2.99 4.33 1.74 -0.49 -5.05 116.66 114.37 2w4r n ARG 654 Ca 0.04 -2.46 -0.38 0.00 -0.77 0.00 0.00 57.85 54.29 2w4r n ARG 654 Cb 0.02 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 2w4r n ARG 654 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2w4r s VAL 655 N -2.56 4.41 0.00 1.55 -7.23 -0.97 -4.92 120.40 110.67 2w4r s VAL 655 Ca 0.29 1.59 0.00 0.00 -1.81 0.00 0.00 61.98 62.05 2w4r s VAL 655 Cb 0.26 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2w4r s VAL 655 CO 0.02 0.36 0.68 -0.81 -0.31 0.00 0.00 175.10 175.04 2w4r n PRO 656 N 1.14 0.39 -3.72 4.82 -0.04 -1.26 -4.65 135.00 131.68 2w4r n PRO 656 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 2w4r n PRO 656 Cb 0.50 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 2w4r n PRO 656 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2w4r s PHE 657 N 1.06 -0.19 -0.13 0.54 -0.12 -1.26 -0.15 117.98 117.73 2w4r s PHE 657 Ca 0.00 -0.12 -0.06 0.00 -0.05 0.00 0.00 56.93 56.71 2w4r s PHE 657 Cb 0.00 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 2w4r s PHE 657 CO 0.00 -0.86 0.08 -1.12 -0.05 0.00 0.00 175.22 173.27 2w4r s SER 658 N -2.87 5.86 -0.30 1.98 0.01 -1.26 -5.01 113.70 112.11 2w4r s SER 658 Ca 0.11 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.59 2w4r s SER 658 Cb -0.02 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2w4r s SER 658 CO 0.01 0.34 0.04 -0.69 0.41 0.00 0.00 173.24 173.35 2w4r s VAL 659 N -0.62 3.46 0.57 3.43 1.01 -1.26 -4.82 120.40 122.17 2w4r s VAL 659 Ca 0.12 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 2w4r s VAL 659 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2w4r s VAL 659 CO 0.02 -0.04 1.25 -2.65 0.00 0.00 0.00 175.10 173.69 2w4r n PRO 660 N 4.75 1.41 -1.93 2.72 -0.02 -1.26 -4.56 135.00 136.11 2w4r n PRO 660 Ca -0.14 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 2w4r n PRO 660 Cb 0.45 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2w4r n PRO 660 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2w4r s ASP 661 N -1.05 5.24 0.04 2.55 1.01 -1.26 -1.48 116.67 121.72 2w4r s ASP 661 Ca 0.74 2.54 -0.30 0.00 0.71 0.00 0.00 52.55 56.23 2w4r s ASP 661 Cb -0.42 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.85 2w4r s ASP 661 CO 0.47 -1.57 1.19 0.12 0.21 0.00 0.00 175.17 175.60 2w4r s PHE 662 N -1.46 3.41 -0.70 4.23 5.36 0.12 -4.64 117.98 124.30 2w4r s PHE 662 Ca 0.75 1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 57.90 2w4r s PHE 662 Cb -0.34 -3.41 0.18 0.00 -0.34 0.00 0.00 43.02 39.10 2w4r s PHE 662 CO 0.39 -1.25 0.61 0.34 -1.46 0.00 0.00 175.22 173.85 2w4r s ASP 663 N 1.12 6.26 0.12 6.13 2.15 -1.26 -4.95 116.67 126.24 2w4r s ASP 663 Ca 0.58 -2.46 -0.23 0.00 0.43 0.00 0.00 52.55 50.87 2w4r s ASP 663 Cb -0.29 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2w4r s ASP 663 CO 0.28 -0.60 1.67 0.15 -0.17 0.00 0.00 175.17 176.50 2w4r h PHE 664 N 7.93 -0.40 -0.36 -5.34 3.04 -1.99 -0.55 116.94 119.27 2w4r h PHE 664 Ca -0.03 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.02 2w4r h PHE 664 Cb 1.04 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.67 2w4r h PHE 664 CO 0.87 -0.23 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.74 2w4r h LEU 665 N -0.22 -0.44 -1.32 0.59 4.07 -1.99 -1.47 115.31 114.53 2w4r h LEU 665 Ca 0.07 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 2w4r h LEU 665 Cb 0.33 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2w4r h LEU 665 CO -0.20 -0.16 -0.28 -0.61 -1.08 0.00 0.00 178.44 176.11 2w4r h GLN 666 N -0.05 0.00 0.00 1.13 5.75 -1.93 -1.23 115.11 118.79 2w4r h GLN 666 Ca 0.18 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2w4r h GLN 666 Cb 0.32 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2w4r h GLN 666 CO -0.40 0.28 -0.01 1.25 -2.65 0.00 0.00 178.83 177.30 2w4r h HIS 667 N 0.00 0.00 0.00 3.99 2.76 0.00 -1.85 115.15 120.06 2w4r h HIS 667 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2w4r h HIS 667 Cb 0.66 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 2w4r h HIS 667 CO 0.00 0.01 0.04 0.00 -1.30 0.00 0.00 177.93 176.68 2w4r n ALA 669 N 2.58 2.33 -1.86 0.00 0.00 -0.69 -4.46 120.51 118.40 2w4r n ALA 669 Ca 0.18 -1.16 0.05 0.00 0.00 0.00 0.00 53.44 52.52 2w4r n ALA 669 Cb 0.43 -0.73 0.13 0.00 0.00 0.00 0.00 19.45 19.28 2w4r n ALA 669 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2w4r n GLU 670 N 1.22 0.99 -0.02 0.00 -0.58 -0.93 -4.89 120.64 116.42 2w4r n GLU 670 Ca 0.19 -2.73 -0.13 0.00 -0.42 0.00 0.00 57.16 54.07 2w4r n GLU 670 Cb 0.54 -1.05 -0.09 0.00 -0.57 0.00 0.00 31.44 30.27 2w4r n GLU 670 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2w4r h ASN 671 N 0.87 0.11 -0.95 1.62 -1.24 -1.82 -3.23 115.58 110.94 2w4r h ASN 671 Ca -0.07 -0.45 0.25 0.00 0.71 0.00 0.00 56.30 56.74 2w4r h ASN 671 Cb 1.30 -0.03 -0.17 0.00 0.73 0.00 0.00 38.32 40.15 2w4r h ASN 671 CO 0.03 0.53 0.01 -0.07 -1.29 0.00 0.00 177.43 176.65 2w4r h LEU 672 N -0.32 -0.47-10.26 0.34 -0.00 -1.97 -3.38 115.31 99.26 2w4r h LEU 672 Ca 0.01 0.26 -0.49 0.00 -0.00 0.00 0.00 57.88 57.66 2w4r h LEU 672 Cb 0.49 0.46 0.02 0.00 -0.00 0.00 0.00 40.66 41.64 2w4r h LEU 672 CO 0.01 -0.32 0.03 -0.44 -0.00 0.00 0.00 178.44 177.72 2w4r s SER 673 N -5.06 6.30 0.00 -0.43 0.01 -1.22 -5.29 113.70 108.02 2w4r s SER 673 Ca -0.13 0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2w4r s SER 673 Cb 0.28 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2w4r s SER 673 CO 0.77 -0.48 0.00 -0.90 0.41 0.00 0.00 173.24 173.05