#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx n SER 547 N 0.00 1.52 -4.47 1.61 7.64 -1.26 -4.90 113.62 113.76 2dgx n SER 547 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 2dgx n SER 547 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dgx n SER 547 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dgx s SER 548 N -4.54 7.00 0.08 6.43 0.01 -1.26 -4.99 113.70 116.42 2dgx s SER 548 Ca 0.00 -2.83 -0.37 0.00 1.31 0.00 0.00 55.95 54.07 2dgx s SER 548 Cb 0.00 -2.41 -0.17 0.00 0.21 0.00 0.00 66.02 63.65 2dgx s SER 548 CO 0.00 -0.82 1.33 0.61 0.41 0.00 0.00 173.24 174.76 2dgx n GLY 549 N 4.40 0.43 3.56 3.44 0.00 -1.26 -4.82 105.19 110.94 2dgx n GLY 549 Ca 0.36 0.70 -0.36 0.00 0.00 0.00 0.00 46.02 46.72 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dgx s SER 550 N 0.46 5.92 0.47 1.61 0.15 -1.26 -4.96 113.70 116.09 2dgx s SER 550 Ca 0.84 -0.98 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 2dgx s SER 550 Cb -0.96 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 60.63 2dgx s SER 550 CO 0.47 -2.02 -0.06 -1.54 1.20 0.00 0.00 173.24 171.29 2dgx n SER 551 N 10.94 -3.40 -3.77 5.45 3.41 -1.26 -4.95 113.62 120.04 2dgx n SER 551 Ca 0.32 0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 59.32 2dgx n SER 551 Cb 0.49 -0.85 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 2dgx n SER 551 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dgx s GLY 552 N -0.99 1.45 -0.12 5.00 0.00 -1.26 -4.98 107.32 106.42 2dgx s GLY 552 Ca 0.57 -2.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 2dgx s GLY 552 CO 0.64 1.48 2.27 0.70 0.00 0.00 0.00 173.10 178.20 2dgx n ASN 553 N 4.23 5.73 0.00 1.64 4.13 -1.26 -4.94 115.26 124.79 2dgx n ASN 553 Ca 0.03 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.63 2dgx n ASN 553 Cb 0.39 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dgx n GLY 554 N 1.26 -1.97 2.71 7.41 0.00 -1.26 -4.97 105.19 108.36 2dgx n GLY 554 Ca 0.17 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 2dgx n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 555 N -1.85 0.04 -0.21 4.61 0.00 -1.23 -4.74 121.76 118.39 2dgx s ALA 555 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 2dgx s ALA 555 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2dgx s ALA 555 CO 0.00 -1.06 0.08 -0.51 0.00 0.00 0.00 175.76 174.28 2dgx s ASP 556 N 2.24 5.63 -0.34 0.00 1.11 -1.26 -0.75 116.67 123.30 2dgx s ASP 556 Ca 0.04 0.03 -0.04 0.00 0.18 0.00 0.00 52.55 52.77 2dgx s ASP 556 Cb -0.15 -1.98 0.06 0.00 1.07 0.00 0.00 42.92 41.92 2dgx s ASP 556 CO -0.09 0.11 0.08 -0.69 1.18 0.00 0.00 175.17 175.76 2dgx s VAL 557 N 0.75 3.32 -0.09 -1.27 1.01 0.14 -2.39 120.40 121.87 2dgx s VAL 557 Ca 0.04 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 2dgx s VAL 557 Cb -0.13 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2dgx s VAL 557 CO 0.02 -0.27 1.35 -1.10 0.00 0.00 0.00 175.10 175.10 2dgx s GLN 558 N 1.28 4.26 -0.17 2.72 -0.21 0.91 -1.02 119.66 127.43 2dgx s GLN 558 Ca -0.01 1.82 0.00 0.00 0.02 0.00 0.00 55.36 57.19 2dgx s GLN 558 Cb -0.20 -3.72 0.01 0.00 1.00 0.00 0.00 33.01 30.09 2dgx s GLN 558 CO -0.01 -0.65 -0.17 0.08 -2.12 0.00 0.00 175.29 172.43 2dgx s VAL 559 N 3.11 2.45 0.31 1.09 1.01 -0.12 -1.07 120.40 127.18 2dgx s VAL 559 Ca 0.60 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2dgx s VAL 559 Cb -0.26 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 2dgx s VAL 559 CO 0.21 0.52 0.01 -0.44 0.00 0.00 0.00 175.10 175.40 2dgx s SER 560 N 1.06 2.61 -0.76 3.32 0.01 -0.77 -0.64 113.70 118.53 2dgx s SER 560 Ca -0.01 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.90 2dgx s SER 560 Cb -0.14 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2dgx s SER 560 CO -0.05 -0.51 0.56 -3.20 0.41 0.00 0.00 173.24 170.45 2dgx n ASN 561 N -0.67 -4.27 -4.67 2.44 5.15 -1.24 -0.23 115.26 111.77 2dgx n ASN 561 Ca -0.04 -0.25 -0.40 0.00 -0.60 0.00 0.00 54.58 53.29 2dgx n ASN 561 Cb 0.65 -2.92 -0.06 0.00 -0.53 0.00 0.00 39.78 36.92 2dgx n ASN 561 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgx s ILE 562 N -3.09 5.05 -0.31 -1.44 1.01 -1.17 -3.97 121.20 117.28 2dgx s ILE 562 Ca 0.28 1.13 -0.32 0.00 0.00 0.00 0.00 60.65 61.74 2dgx s ILE 562 Cb -0.12 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2dgx s ILE 562 CO 0.34 0.14 2.22 -0.67 0.00 0.00 0.00 174.94 176.97 2dgx n ASP 563 N 4.87 2.52 -0.19 3.58 2.03 -1.26 -4.54 116.55 123.56 2dgx n ASP 563 Ca -0.02 0.29 -0.06 0.00 0.52 0.00 0.00 54.79 55.52 2dgx n ASP 563 Cb 0.50 -1.38 0.09 0.00 -0.72 0.00 0.00 41.12 39.61 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2dgx h TYR 564 N 13.66 1.06 -0.45 -0.67 -0.00 -1.91 -3.25 116.97 125.41 2dgx h TYR 564 Ca -0.32 -0.14 0.04 0.00 -0.00 0.00 0.00 58.73 58.31 2dgx h TYR 564 Cb 1.29 -0.29 -0.05 0.00 -0.00 0.00 0.00 36.73 37.68 2dgx h TYR 564 CO 0.95 0.91 -0.26 0.54 -0.00 0.00 0.00 178.16 180.30 2dgx n ARG 565 N -4.21 -0.20 -0.93 0.10 1.74 -1.26 -4.49 116.66 107.41 2dgx n ARG 565 Ca 0.04 0.96 -0.36 0.00 -0.77 0.00 0.00 57.85 57.71 2dgx n ARG 565 Cb 0.29 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 2dgx n ARG 565 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dgx n LEU 566 N -4.06 -3.97 -4.75 0.55 4.77 -1.23 -4.90 117.00 103.42 2dgx n LEU 566 Ca 0.01 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 2dgx n LEU 566 Cb 0.12 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 2dgx n LEU 566 CO -0.07 -4.53 0.39 -0.94 -1.33 0.00 0.00 177.39 170.90 2dgx s SER 567 N -1.26 7.09 0.03 -1.43 1.04 -1.26 -4.91 113.70 113.00 2dgx s SER 567 Ca 0.44 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 2dgx s SER 567 Cb -0.11 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2dgx s SER 567 CO 0.75 0.04 0.85 0.54 0.98 0.00 0.00 173.24 176.39 2dgx n ARG 568 N 2.87 -0.09 -0.26 4.02 1.74 -1.26 0.58 116.66 124.24 2dgx n ARG 568 Ca -0.04 0.84 0.03 0.00 -0.77 0.00 0.00 57.85 57.90 2dgx n ARG 568 Cb 0.51 -1.25 0.11 0.00 -1.02 0.00 0.00 32.46 30.80 2dgx n ARG 568 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dgx h LYS 569 N 0.00 0.01 -0.80 5.56 1.57 -1.99 0.64 116.57 121.56 2dgx h LYS 569 Ca 0.03 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2dgx h LYS 569 Cb 0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2dgx h LYS 569 CO -0.20 0.01 0.52 1.49 -0.57 0.00 0.00 179.45 180.70 2dgx h GLU 570 N 0.02 0.81 -0.08 3.15 4.57 -0.25 -2.36 114.58 120.43 2dgx h GLU 570 Ca 0.38 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 2dgx h GLU 570 Cb 0.60 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2dgx h GLU 570 CO -0.77 0.54 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.32 2dgx h LEU 571 N 0.83 0.32 -0.10 1.64 3.38 0.30 -2.82 115.31 118.86 2dgx h LEU 571 Ca 0.35 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2dgx h LEU 571 Cb 0.29 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2dgx h LEU 571 CO -0.13 0.86 -0.29 1.56 0.09 0.00 0.00 178.44 180.53 2dgx h GLN 572 N -0.21 -0.28 0.09 1.13 4.20 -0.12 -1.26 115.11 118.66 2dgx h GLN 572 Ca -0.00 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.74 2dgx h GLN 572 Cb 0.82 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 2dgx h GLN 572 CO 0.05 -0.19 -0.51 -0.56 -0.67 0.00 0.00 178.83 176.95 2dgx h GLN 573 N -0.29 -0.69 -0.63 1.46 3.07 -1.59 -2.06 115.11 114.38 2dgx h GLN 573 Ca 0.02 0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.86 2dgx h GLN 573 Cb 0.35 0.16 -0.08 0.00 0.08 0.00 0.00 27.48 27.99 2dgx h GLN 573 CO -0.25 -0.46 -0.37 1.28 0.09 0.00 0.00 178.83 179.12 2dgx n LEU 574 N -5.48 -0.67 -0.18 0.06 4.77 -1.06 0.00 117.00 114.44 2dgx n LEU 574 Ca -0.08 1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 57.26 2dgx n LEU 574 Cb 0.41 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2dgx n LEU 574 CO 0.16 -1.04 0.74 -0.07 -1.33 0.00 0.00 177.39 175.84 2dgx h LEU 575 N 0.00 -0.58 -0.75 2.23 3.38 -0.97 0.36 115.31 118.98 2dgx h LEU 575 Ca 0.10 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.32 2dgx h LEU 575 Cb 0.26 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2dgx h LEU 575 CO -0.59 -0.20 0.41 -0.61 0.09 0.00 0.00 178.44 177.54 2dgx h GLN 576 N -0.03 0.70 0.42 1.13 4.15 0.30 -2.05 115.11 119.73 2dgx h GLN 576 Ca 0.26 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 2dgx h GLN 576 Cb 0.43 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2dgx h GLN 576 CO -0.58 0.47 -0.31 0.93 -1.93 0.00 0.00 178.83 177.40 2dgx h GLU 577 N 0.73 -0.70 0.03 1.69 4.39 0.15 0.29 114.58 121.16 2dgx h GLU 577 Ca 0.35 0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.12 2dgx h GLU 577 Cb 0.29 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2dgx h GLU 577 CO -0.22 -0.46 -0.54 0.00 -1.16 0.00 0.00 179.01 176.62 2dgx h ALA 578 N -0.24 -0.97 -0.60 3.43 0.00 -0.95 -0.74 119.26 119.19 2dgx h ALA 578 Ca -0.04 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dgx h ALA 578 Cb 0.62 0.95 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2dgx h ALA 578 CO 0.00 -1.12 0.40 0.74 0.00 0.00 0.00 179.25 179.27 2dgx h PHE 579 N -0.70 0.58 -0.21 0.00 0.04 -1.33 -2.28 116.94 113.05 2dgx h PHE 579 Ca 0.01 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2dgx h PHE 579 Cb 0.73 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 2dgx h PHE 579 CO -0.50 0.31 0.01 0.00 -0.60 0.00 0.00 178.31 177.52 2dgx h ALA 580 N 1.67 0.18 -0.21 2.45 0.00 1.00 -0.35 119.26 124.00 2dgx h ALA 580 Ca 0.26 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2dgx h ALA 580 Cb 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2dgx h ALA 580 CO -0.08 -0.42 0.51 0.00 0.00 0.00 0.00 179.25 179.26 2dgx h ARG 581 N 0.08 0.00 0.00 0.00 3.08 -0.67 -2.51 114.38 114.36 2dgx h ARG 581 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2dgx h ARG 581 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2dgx h ARG 581 CO -0.16 0.00 -0.43 0.72 -1.07 0.00 0.00 179.97 179.03 2dgx n HIS 582 N -3.14 0.72 0.00 3.04 8.25 -0.26 -5.08 115.22 118.75 2dgx n HIS 582 Ca 0.03 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2dgx n HIS 582 Cb 0.61 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 31.06 2dgx n HIS 582 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dgx n GLY 583 N 1.63 4.34 2.98 -1.41 0.00 -0.49 -5.05 105.19 107.19 2dgx n GLY 583 Ca -0.06 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 2dgx n GLY 583 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dgx s LYS 584 N 3.86 1.58 -0.00 1.61 2.47 -1.26 -4.51 119.74 123.49 2dgx s LYS 584 Ca 0.00 -1.46 -0.31 0.00 -1.56 0.00 0.00 55.97 52.64 2dgx s LYS 584 Cb 0.00 -2.84 -0.10 0.00 -1.46 0.00 0.00 37.83 33.43 2dgx s LYS 584 CO 0.00 -0.79 1.95 0.28 0.16 0.00 0.00 175.35 176.95 2dgx n VAL 585 N 4.46 0.71 -0.02 4.02 0.31 -1.26 -1.38 118.33 125.17 2dgx n VAL 585 Ca -0.04 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.08 2dgx n VAL 585 Cb 0.42 -2.18 -0.07 0.00 -0.91 0.00 0.00 33.84 31.11 2dgx n VAL 585 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2dgx h LYS 586 N 10.16 -0.07 -3.07 5.55 1.63 -0.18 -3.44 116.57 127.16 2dgx h LYS 586 Ca -0.49 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.35 2dgx h LYS 586 Cb 1.25 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.83 2dgx h LYS 586 CO 0.94 0.41 0.19 0.45 -3.45 0.00 0.00 179.45 177.99 2dgx s SER 587 N -5.75 -0.30 -0.04 4.20 0.15 -1.02 -4.96 113.70 105.99 2dgx s SER 587 Ca -0.10 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.01 2dgx s SER 587 Cb -0.01 0.69 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2dgx s SER 587 CO 0.37 -1.25 0.03 -0.69 1.20 0.00 0.00 173.24 172.90 2dgx s VAL 588 N -3.90 0.05 -0.03 4.45 1.01 -1.26 -0.92 120.40 119.81 2dgx s VAL 588 Ca 0.10 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2dgx s VAL 588 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2dgx s VAL 588 CO 0.03 0.18 -0.21 -1.61 0.00 0.00 0.00 175.10 173.49 2dgx s GLU 589 N 1.76 1.87 0.03 2.72 2.02 -0.78 -5.02 118.70 121.29 2dgx s GLU 589 Ca 0.00 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2dgx s GLU 589 Cb -0.12 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 2dgx s GLU 589 CO -0.03 0.41 -0.04 -0.51 0.02 0.00 0.00 175.26 175.11 2dgx s LEU 590 N -0.36 3.32 0.51 1.80 1.43 -1.26 -1.11 118.68 123.00 2dgx s LEU 590 Ca 0.04 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 2dgx s LEU 590 Cb -0.10 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 2dgx s LEU 590 CO 0.00 0.25 1.02 -0.44 0.23 0.00 0.00 176.35 177.41 2dgx s SER 591 N -1.75 6.35 0.00 2.29 0.01 -0.48 -4.93 113.70 115.18 2dgx s SER 591 Ca 0.20 1.81 0.14 0.00 1.31 0.00 0.00 55.95 59.41 2dgx s SER 591 Cb -0.11 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 64.22 2dgx s SER 591 CO 0.11 -0.78 1.44 -0.81 0.41 0.00 0.00 173.24 173.61 2dgx n PRO 592 N -1.27 0.07 -2.11 12.44 -0.04 -1.26 -4.76 135.00 138.06 2dgx n PRO 592 Ca 0.08 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 2dgx n PRO 592 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2dgx n PRO 592 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dgx s HIS 593 N -2.86 2.87 -0.51 0.54 3.76 -1.26 -4.92 115.29 112.91 2dgx s HIS 593 Ca 0.09 0.72 0.03 0.00 -0.15 0.00 0.00 55.06 55.75 2dgx s HIS 593 Cb 0.09 -3.76 0.43 0.00 1.11 0.00 0.00 32.58 30.46 2dgx s HIS 593 CO 0.25 -2.86 1.54 -2.37 -0.85 0.00 0.00 174.74 170.45 2dgx n THR 594 N 4.43 2.97 -3.82 1.30 5.66 -1.26 -4.59 114.28 118.98 2dgx n THR 594 Ca 0.13 -3.99 -0.10 0.00 -3.05 0.00 0.00 64.05 57.05 2dgx n THR 594 Cb 0.42 -1.18 -0.01 0.00 -1.55 0.00 0.00 70.33 68.01 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dgx n ASP 595 N -0.70 -1.34 -0.51 1.09 9.92 -1.26 -5.00 116.55 118.75 2dgx n ASP 595 Ca 0.50 -2.39 0.44 0.00 -0.53 0.00 0.00 54.79 52.81 2dgx n ASP 595 Cb 0.72 2.36 0.73 0.00 -0.64 0.00 0.00 41.12 44.28 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2dgx h TYR 596 N 1.78 0.00 -0.18 1.24 -0.00 -1.94 0.39 116.97 118.26 2dgx h TYR 596 Ca -0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.38 2dgx h TYR 596 Cb 0.94 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.62 2dgx h TYR 596 CO 0.00 0.00 0.15 1.04 -0.00 0.00 0.00 178.16 179.35 2dgx n GLN 597 N -3.81 1.29 -2.95 0.10 6.02 -1.26 -4.75 117.38 112.03 2dgx n GLN 597 Ca 0.36 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 56.35 2dgx n GLN 597 Cb 1.74 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 31.73 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dgx s LEU 598 N -0.67 4.17 0.00 1.08 2.96 0.14 -4.72 118.68 121.64 2dgx s LEU 598 Ca 0.11 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 2dgx s LEU 598 Cb 0.09 -3.15 -0.00 0.00 0.50 0.00 0.00 46.19 43.63 2dgx s LEU 598 CO 0.00 -0.36 0.02 0.29 -1.32 0.00 0.00 176.35 174.98 2dgx n LYS 599 N 5.11 0.79 -3.69 1.98 5.02 -1.26 -3.02 118.16 123.09 2dgx n LYS 599 Ca 0.03 -3.55 -0.03 0.00 -2.02 0.00 0.00 58.31 52.74 2dgx n LYS 599 Cb 0.49 1.05 -0.01 0.00 -0.02 0.00 0.00 35.03 36.54 2dgx n LYS 599 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dgx s ALA 600 N -2.87 -1.82 -0.14 7.82 0.00 0.18 -1.38 121.76 123.55 2dgx s ALA 600 Ca 0.02 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2dgx s ALA 600 Cb 0.00 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.70 2dgx s ALA 600 CO 0.02 -0.98 0.12 0.08 0.00 0.00 0.00 175.76 174.99 2dgx s VAL 601 N -3.05 -0.16 -0.22 0.00 1.01 -0.27 -0.95 120.40 116.78 2dgx s VAL 601 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2dgx s VAL 601 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2dgx s VAL 601 CO -0.01 -0.12 0.12 -0.69 0.00 0.00 0.00 175.10 174.40 2dgx s VAL 602 N 2.20 5.09 -0.00 2.92 1.01 -0.19 -1.87 120.40 129.56 2dgx s VAL 602 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2dgx s VAL 602 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2dgx s VAL 602 CO -0.08 0.40 0.22 -1.10 0.00 0.00 0.00 175.10 174.53 2dgx s GLN 603 N 0.79 3.49 -0.07 2.72 1.11 -0.10 0.27 119.66 127.88 2dgx s GLN 603 Ca 0.06 -0.23 0.05 0.00 0.01 0.00 0.00 55.36 55.25 2dgx s GLN 603 Cb -0.13 -3.08 -0.00 0.00 -1.01 0.00 0.00 33.01 28.78 2dgx s GLN 603 CO 0.02 0.66 -0.22 -1.64 0.01 0.00 0.00 175.29 174.12 2dgx s MET 604 N -1.88 2.47 0.27 2.91 -1.94 0.07 0.55 119.30 121.76 2dgx s MET 604 Ca 0.27 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2dgx s MET 604 Cb -0.13 -2.01 0.62 0.00 2.01 0.00 0.00 34.83 35.33 2dgx s MET 604 CO 0.18 0.25 1.69 0.93 -0.01 0.00 0.00 175.02 178.05 2dgx h GLU 605 N 6.41 0.32 -6.17 2.03 5.08 -1.51 -3.25 114.58 117.49 2dgx h GLU 605 Ca -0.28 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.53 2dgx h GLU 605 Cb 1.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 2dgx h GLU 605 CO 0.47 0.21 -0.52 1.21 -1.00 0.00 0.00 179.01 179.38 2dgx s ASN 606 N -5.20 5.77 -0.10 1.42 2.47 -1.26 -4.76 114.94 113.28 2dgx s ASN 606 Ca -0.12 -0.09 -0.05 0.00 0.42 0.00 0.00 52.86 53.03 2dgx s ASN 606 Cb 0.24 -1.57 -0.04 0.00 -1.45 0.00 0.00 41.25 38.43 2dgx s ASN 606 CO 0.77 0.02 0.14 0.25 -3.72 0.00 0.00 177.10 174.56 2dgx h LEU 607 N 1.92 -0.03 -0.76 3.21 7.12 -1.85 -3.33 115.31 121.59 2dgx h LEU 607 Ca -0.49 -0.12 0.13 0.00 0.13 0.00 0.00 57.88 57.53 2dgx h LEU 607 Cb 1.21 0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 41.26 2dgx h LEU 607 CO 0.63 0.52 0.34 -0.61 -0.13 0.00 0.00 178.44 179.19 2dgx h GLN 608 N -1.01 0.50 -1.10 1.25 4.15 -1.97 0.36 115.11 117.30 2dgx h GLN 608 Ca -0.00 -0.03 0.30 0.00 0.77 0.00 0.00 58.65 59.69 2dgx h GLN 608 Cb 0.15 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.64 2dgx h GLN 608 CO 0.01 0.33 0.73 -0.44 -1.93 0.00 0.00 178.83 177.52 2dgx h ASP 609 N 0.52 0.34 0.07 -0.69 5.19 -1.98 -0.69 116.42 119.18 2dgx h ASP 609 Ca 0.41 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2dgx h ASP 609 Cb 0.56 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2dgx h ASP 609 CO -0.36 0.03 -0.03 0.00 -3.12 0.00 0.00 179.24 175.76 2dgx h ALA 610 N 1.58 -0.09 -0.73 3.45 0.00 -1.03 -2.74 119.26 119.71 2dgx h ALA 610 Ca 0.62 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.32 2dgx h ALA 610 Cb 1.79 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 2dgx h ALA 610 CO -0.27 -0.21 -0.41 -0.89 0.00 0.00 0.00 179.25 177.47 2dgx n ILE 611 N -4.83 -0.48 -0.10 0.00 5.41 -0.27 0.10 119.36 119.19 2dgx n ILE 611 Ca -0.08 1.75 -0.12 0.00 1.00 0.00 0.00 62.75 65.30 2dgx n ILE 611 Cb 0.30 -2.19 -0.04 0.00 -0.71 0.00 0.00 39.64 37.01 2dgx n ILE 611 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2dgx h GLY 612 N 0.00 0.64 0.20 7.39 0.00 -1.65 -2.85 103.07 106.81 2dgx h GLY 612 Ca 0.14 -0.54 0.23 0.00 0.00 0.00 0.00 47.33 47.16 2dgx h GLY 612 CO -0.69 0.49 0.62 0.00 0.00 0.00 0.00 176.54 176.96 2dgx h ALA 613 N 0.79 2.38 0.23 3.60 0.00 -0.01 0.81 119.26 127.05 2dgx h ALA 613 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dgx h ALA 613 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2dgx h ALA 613 CO 0.03 -0.67 -0.11 0.28 0.00 0.00 0.00 179.25 178.78 2dgx h VAL 614 N 0.30 0.53 0.00 0.00 2.07 -0.45 0.21 116.25 118.91 2dgx h VAL 614 Ca 0.48 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2dgx h VAL 614 Cb 1.37 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2dgx h VAL 614 CO -0.15 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.17 2dgx n ASN 615 N -4.98 0.45 -0.09 0.57 3.02 -0.82 -0.82 115.26 112.60 2dgx n ASN 615 Ca -0.07 0.63 -0.12 0.00 -0.03 0.00 0.00 54.58 54.99 2dgx n ASN 615 Cb 0.23 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 2dgx n ASN 615 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dgx n SER 616 N -2.02 1.86 0.00 6.41 7.64 0.28 -4.27 113.62 123.52 2dgx n SER 616 Ca 0.02 0.49 0.09 0.00 1.01 0.00 0.00 58.87 60.49 2dgx n SER 616 Cb 0.18 -0.85 0.48 0.00 -1.01 0.00 0.00 64.21 63.00 2dgx n SER 616 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dgx n LEU 617 N -4.51 0.00 -4.68 -3.43 4.77 0.73 -4.83 117.00 105.06 2dgx n LEU 617 Ca -0.18 0.28 -0.58 0.00 -0.03 0.00 0.00 56.01 55.49 2dgx n LEU 617 Cb 0.47 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2dgx n LEU 617 CO 0.14 -0.10 1.15 1.57 -1.33 0.00 0.00 177.39 178.82 2dgx n HIS 618 N -1.28 1.79 -2.85 -1.77 -0.00 0.00 0.62 115.22 111.74 2dgx n HIS 618 Ca 0.09 0.69 -0.21 0.00 0.46 0.00 0.00 57.72 58.76 2dgx n HIS 618 Cb 0.15 -2.37 0.03 0.00 -0.12 0.00 0.00 29.99 27.68 2dgx n HIS 618 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dgx n ARG 619 N 4.27 -3.99 -1.70 1.57 5.12 0.25 -4.88 116.66 117.30 2dgx n ARG 619 Ca 0.25 0.87 -0.43 0.00 -1.93 0.00 0.00 57.85 56.61 2dgx n ARG 619 Cb 0.11 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 25.80 2dgx n ARG 619 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2dgx s TYR 620 N -3.11 1.32 -0.83 -1.55 5.04 0.20 -4.54 117.35 113.89 2dgx s TYR 620 Ca 0.23 0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 55.03 2dgx s TYR 620 Cb -0.10 -4.01 -0.19 0.00 0.35 0.00 0.00 41.96 38.01 2dgx s TYR 620 CO 0.28 -4.12 2.36 1.17 -1.34 0.00 0.00 175.55 173.90 2dgx n LYS 621 N 8.46 0.42 -4.37 4.97 0.00 -1.26 -3.07 118.16 123.31 2dgx n LYS 621 Ca 0.27 -0.46 -0.25 0.00 0.00 0.00 0.00 58.31 57.87 2dgx n LYS 621 Cb 0.45 -2.76 -0.10 0.00 0.00 0.00 0.00 35.03 32.62 2dgx n LYS 621 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dgx s ILE 622 N 9.94 2.88 0.00 3.15 1.01 -1.00 -5.02 121.20 132.17 2dgx s ILE 622 Ca 1.08 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2dgx s ILE 622 Cb -0.41 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.59 2dgx s ILE 622 CO 0.27 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2dgx n GLY 623 N -0.28 1.47 0.31 6.18 0.00 -1.26 -0.65 105.19 110.95 2dgx n GLY 623 Ca -0.09 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.38 2dgx n GLY 623 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgx n SER 624 N 2.41 1.92 -3.52 1.61 2.88 -1.26 -5.04 113.62 112.62 2dgx n SER 624 Ca 0.00 -3.18 -0.13 0.00 -1.33 0.00 0.00 58.87 54.23 2dgx n SER 624 Cb 0.00 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.99 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dgx s LYS 625 N -2.62 1.14 -0.21 -1.46 1.02 0.18 -5.00 119.74 112.77 2dgx s LYS 625 Ca 0.31 -0.34 -0.19 0.00 0.02 0.00 0.00 55.97 55.77 2dgx s LYS 625 Cb 0.29 0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 38.09 2dgx s LYS 625 CO -0.01 -0.45 0.57 0.15 -0.92 0.00 0.00 175.35 174.69 2dgx s LYS 626 N -3.00 4.17 0.09 1.68 3.01 -1.26 -2.36 119.74 122.07 2dgx s LYS 626 Ca -0.02 0.48 -0.30 0.00 -1.01 0.00 0.00 55.97 55.12 2dgx s LYS 626 Cb -0.00 -3.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.17 2dgx s LYS 626 CO -0.06 -0.23 0.99 0.96 0.51 0.00 0.00 175.35 177.51 2dgx s ILE 627 N 1.91 4.49 -0.45 2.17 -4.36 -1.17 -4.74 121.20 119.05 2dgx s ILE 627 Ca 0.25 2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 62.48 2dgx s ILE 627 Cb -0.16 -4.28 0.05 0.00 1.25 0.00 0.00 42.46 39.33 2dgx s ILE 627 CO 0.10 0.27 0.38 -0.76 0.24 0.00 0.00 174.94 175.17 2dgx s LEU 628 N 0.23 5.39 0.21 0.37 1.43 0.68 0.85 118.68 127.83 2dgx s LEU 628 Ca 0.49 -1.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 2dgx s LEU 628 Cb -0.24 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 2dgx s LEU 628 CO 0.30 -0.60 0.65 -0.69 0.23 0.00 0.00 176.35 176.24 2dgx s VAL 629 N 1.74 4.71 -0.28 -1.59 1.01 -1.26 -1.85 120.40 122.87 2dgx s VAL 629 Ca 0.05 1.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 2dgx s VAL 629 Cb -0.22 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.49 2dgx s VAL 629 CO 0.08 0.15 0.79 -0.44 0.00 0.00 0.00 175.10 175.69 2dgx s SER 630 N -1.80 -0.78 0.91 3.32 0.01 -0.23 -4.85 113.70 110.28 2dgx s SER 630 Ca 0.43 1.27 -0.11 0.00 1.31 0.00 0.00 55.95 58.85 2dgx s SER 630 Cb -0.15 1.32 0.14 0.00 0.21 0.00 0.00 66.02 67.54 2dgx s SER 630 CO 0.20 -0.20 1.12 -0.76 0.41 0.00 0.00 173.24 174.00 2dgx s LEU 631 N 1.36 2.59 0.25 2.44 1.43 -1.26 -0.06 118.68 125.43 2dgx s LEU 631 Ca -0.08 1.97 0.11 0.00 -1.03 0.00 0.00 54.13 55.09 2dgx s LEU 631 Cb -0.05 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 2dgx s LEU 631 CO -0.16 -2.96 -0.19 0.00 0.23 0.00 0.00 176.35 173.27 2dgx s ALA 632 N -2.71 2.49 -0.05 4.21 0.00 -1.00 -4.67 121.76 120.02 2dgx s ALA 632 Ca 0.65 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2dgx s ALA 632 Cb -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2dgx s ALA 632 CO 0.58 0.22 -0.14 -0.08 0.00 0.00 0.00 175.76 176.34 2dgx s THR 633 N -2.57 1.25 0.00 0.00 -1.32 -1.26 -4.82 115.64 106.92 2dgx s THR 633 Ca 0.27 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 2dgx s THR 633 Cb -0.04 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2dgx s THR 633 CO 0.12 0.37 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 2dgx n GLY 634 N 3.44 0.56 3.54 6.08 0.00 -1.26 -4.97 105.19 112.58 2dgx n GLY 634 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 635 N -2.97 2.78 -0.39 4.61 0.00 -1.26 -4.96 121.76 119.56 2dgx s ALA 635 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 2dgx s ALA 635 Cb 0.00 -4.26 0.10 0.00 0.00 0.00 0.00 23.12 18.97 2dgx s ALA 635 CO 0.00 -3.28 0.17 -1.12 0.00 0.00 0.00 175.76 171.52 2dgx s SER 636 N 3.86 5.16 -0.42 0.00 0.01 -1.26 -5.01 113.70 116.03 2dgx s SER 636 Ca 0.35 -2.00 0.03 0.00 1.31 0.00 0.00 55.95 55.64 2dgx s SER 636 Cb -0.08 -1.79 0.16 0.00 0.21 0.00 0.00 66.02 64.52 2dgx s SER 636 CO 0.12 -0.50 0.31 -0.83 0.41 0.00 0.00 173.24 172.75 2dgx s GLY 637 N 1.64 1.30 0.72 3.44 0.00 -1.26 -5.13 107.32 108.03 2dgx s GLY 637 Ca 0.08 -2.44 -0.13 0.00 0.00 0.00 0.00 44.72 42.24 2dgx s GLY 637 CO -0.05 1.98 1.10 2.56 0.00 0.00 0.00 173.10 178.69 2dgx s PRO 638 N 0.21 2.50 0.00 2.90 0.04 -1.26 -5.00 135.00 134.39 2dgx s PRO 638 Ca 0.27 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2dgx s PRO 638 Cb -0.06 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2dgx s PRO 638 CO -0.13 -1.47 0.00 -1.13 0.04 0.00 0.00 177.00 174.32 2dgx n SER 639 N -3.02 1.54 -3.79 6.66 3.41 -1.26 -5.09 113.62 112.07 2dgx n SER 639 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 2dgx n SER 639 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2dgx n SER 639 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dgx s SER 640 N -4.33 -0.23 0.00 4.04 0.15 -1.26 -5.34 113.70 106.72 2dgx s SER 640 Ca 0.00 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.36 2dgx s SER 640 Cb 0.00 0.47 1.76 0.00 -1.71 0.00 0.00 66.02 66.54 2dgx s SER 640 CO 0.00 -0.13 2.09 0.61 1.20 0.00 0.00 173.24 177.01