#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m n ASN 574 N 0.00 0.31 0.00 1.61 4.13 -1.26 -4.91 115.26 115.14 1k2m n ASN 574 Ca 0.00 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1k2m n ASN 574 Cb 0.00 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 1k2m n ASN 574 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k2m n GLY 575 N 1.46 0.39 3.45 7.41 0.00 -1.26 -5.05 105.19 111.59 1k2m n GLY 575 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1k2m n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k2m s ARG 576 N -0.98 3.03 -0.19 1.61 3.52 -1.26 0.11 118.95 124.79 1k2m s ARG 576 Ca 0.00 -1.00 -0.16 0.00 -0.13 0.00 0.00 55.73 54.44 1k2m s ARG 576 Cb 0.00 -4.03 -0.21 0.00 -1.56 0.00 0.00 34.95 29.16 1k2m s ARG 576 CO 0.00 -0.90 0.21 0.34 -0.81 0.00 0.00 175.30 174.14 1k2m n PHE 577 N 5.43 1.01 -4.95 5.12 -0.00 -0.86 -2.30 117.46 120.90 1k2m n PHE 577 Ca -0.10 0.35 -0.28 0.00 -0.00 0.00 0.00 57.45 57.42 1k2m n PHE 577 Cb 0.46 -1.11 -0.15 0.00 -0.00 0.00 0.00 39.48 38.68 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1k2m s LEU 578 N -7.57 2.10 -0.21 -2.13 2.96 -1.04 -1.23 118.68 111.56 1k2m s LEU 578 Ca -0.28 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 1k2m s LEU 578 Cb 0.07 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.65 1k2m s LEU 578 CO 0.64 0.24 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.86 1k2m s THR 579 N -0.66 2.10 -0.42 3.68 2.01 0.69 0.14 115.64 123.18 1k2m s THR 579 Ca 0.09 -1.24 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 1k2m s THR 579 Cb -0.09 -2.04 0.05 0.00 0.01 0.00 0.00 72.50 70.43 1k2m s THR 579 CO 0.00 0.29 0.30 -0.76 -0.69 0.00 0.00 174.62 173.77 1k2m s LEU 580 N 1.21 5.18 -0.43 4.42 1.43 0.32 0.13 118.68 130.94 1k2m s LEU 580 Ca -0.01 -1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 51.92 1k2m s LEU 580 Cb -0.16 -2.11 0.12 0.00 0.03 0.00 0.00 46.19 44.07 1k2m s LEU 580 CO -0.10 -0.51 0.22 -0.54 0.23 0.00 0.00 176.35 175.66 1k2m s LYS 581 N 1.60 2.04 -0.83 1.70 1.02 0.71 0.29 119.74 126.27 1k2m s LYS 581 Ca 0.04 -1.90 -0.25 0.00 0.02 0.00 0.00 55.97 53.88 1k2m s LYS 581 Cb -0.21 -3.59 -0.19 0.00 -0.52 0.00 0.00 37.83 33.32 1k2m s LYS 581 CO 0.07 -1.08 2.48 -2.30 -0.92 0.00 0.00 175.35 173.60 1k2m n PRO 582 N 4.46 0.37 -1.79 -1.68 -0.02 0.75 -2.02 135.00 135.08 1k2m n PRO 582 Ca -0.01 -0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 1k2m n PRO 582 Cb 0.41 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1k2m n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2m s LEU 583 N 9.05 3.30 0.57 2.45 2.34 -1.03 -1.79 118.68 133.56 1k2m s LEU 583 Ca 1.18 1.70 0.31 0.00 0.06 0.00 0.00 54.13 57.39 1k2m s LEU 583 Cb -0.72 -4.51 1.45 0.00 -0.56 0.00 0.00 46.19 41.85 1k2m s LEU 583 CO 0.38 -1.31 1.81 -0.65 -1.06 0.00 0.00 176.35 175.52 1k2m h PRO 584 N -0.20 0.00 0.00 1.48 0.11 -1.90 0.96 132.00 132.46 1k2m h PRO 584 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k2m h PRO 584 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2m h PRO 584 CO 0.57 0.00 -0.08 0.22 -0.21 0.00 0.00 178.00 178.50 1k2m h ASP 585 N 0.00 0.00 -2.99 -2.05 1.82 -1.91 -3.42 116.42 107.87 1k2m h ASP 585 Ca 0.38 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.48 1k2m h ASP 585 Cb 1.76 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.75 1k2m h ASP 585 CO -0.00 0.08 -0.28 -0.55 -1.61 0.00 0.00 179.24 176.87 1k2m s SER 586 N -6.39 6.42 0.29 2.28 0.15 0.33 -4.91 113.70 111.88 1k2m s SER 586 Ca -0.04 0.51 0.13 0.00 0.70 0.00 0.00 55.95 57.25 1k2m s SER 586 Cb 0.15 -2.06 0.71 0.00 -1.71 0.00 0.00 66.02 63.11 1k2m s SER 586 CO 0.60 -0.06 1.31 0.00 1.20 0.00 0.00 173.24 176.28 1k2m n ILE 587 N -0.59 0.74 -4.63 6.45 3.06 0.28 -4.40 119.36 120.27 1k2m n ILE 587 Ca -0.04 0.72 -0.33 0.00 -2.50 0.00 0.00 62.75 60.60 1k2m n ILE 587 Cb 0.53 -1.72 -0.13 0.00 0.54 0.00 0.00 39.64 38.87 1k2m n ILE 587 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1k2m s ILE 588 N -3.29 3.50 -0.57 9.51 1.01 -1.26 -5.03 121.20 125.07 1k2m s ILE 588 Ca -0.01 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1k2m s ILE 588 Cb 0.04 -2.47 0.39 0.00 0.01 0.00 0.00 42.46 40.42 1k2m s ILE 588 CO 0.12 0.54 1.32 0.00 0.00 0.00 0.00 174.94 176.92 1k2m n GLN 589 N 3.07 3.36 -4.56 2.79 3.00 -1.23 -3.45 117.38 120.35 1k2m n GLN 589 Ca -0.18 -4.36 -0.26 0.00 -0.01 0.00 0.00 57.00 52.20 1k2m n GLN 589 Cb 0.53 -2.26 -0.10 0.00 0.00 0.00 0.00 30.24 28.40 1k2m n GLN 589 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k2m s GLU 590 N -3.68 1.87 -0.06 -1.09 2.02 -0.74 -4.97 118.70 112.05 1k2m s GLU 590 Ca 0.49 -2.08 0.03 0.00 0.02 0.00 0.00 54.97 53.43 1k2m s GLU 590 Cb 0.38 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 33.37 1k2m s GLU 590 CO -0.23 -0.18 -0.15 -1.54 0.02 0.00 0.00 175.26 173.18 1k2m s SER 591 N -3.64 2.01 -0.02 -0.19 1.04 -1.26 -0.18 113.70 111.46 1k2m s SER 591 Ca 0.31 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1k2m s SER 591 Cb 0.08 -0.74 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 1k2m s SER 591 CO 0.15 0.10 -0.11 -0.76 0.98 0.00 0.00 173.24 173.60 1k2m s LEU 592 N 0.33 2.95 -0.23 2.42 1.43 0.82 -4.93 118.68 121.48 1k2m s LEU 592 Ca -0.10 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1k2m s LEU 592 Cb -0.14 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.47 1k2m s LEU 592 CO 0.03 0.31 -0.09 -1.61 0.23 0.00 0.00 176.35 175.23 1k2m s GLU 593 N -1.13 1.93 -0.51 1.70 8.01 -1.26 0.12 118.70 127.56 1k2m s GLU 593 Ca 0.14 -1.03 -0.28 0.00 0.01 0.00 0.00 54.97 53.81 1k2m s GLU 593 Cb -0.11 -2.61 0.03 0.00 -4.31 0.00 0.00 34.13 27.14 1k2m s GLU 593 CO 0.04 -0.53 1.13 0.42 0.01 0.00 0.00 175.26 176.33 1k2m s ILE 594 N 1.32 4.18 -0.11 -1.63 1.01 0.37 -4.97 121.20 121.37 1k2m s ILE 594 Ca -0.05 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 1k2m s ILE 594 Cb -0.18 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.62 1k2m s ILE 594 CO -0.07 -1.09 1.70 -1.10 0.00 0.00 0.00 174.94 174.38 1k2m s GLN 595 N 4.52 3.98 0.48 2.79 1.11 -1.26 -2.03 119.66 129.25 1k2m s GLN 595 Ca 0.45 2.03 0.32 0.00 0.01 0.00 0.00 55.36 58.17 1k2m s GLN 595 Cb -0.08 -4.04 1.42 0.00 -1.01 0.00 0.00 33.01 29.30 1k2m s GLN 595 CO 0.29 -1.08 1.72 -0.56 0.01 0.00 0.00 175.29 175.66 1k2m h GLN 596 N 10.36 0.13 0.00 2.91 3.07 0.49 1.41 115.11 133.47 1k2m h GLN 596 Ca -0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.34 1k2m h GLN 596 Cb 1.18 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 1k2m h GLN 596 CO 0.97 0.09 -0.04 0.78 0.09 0.00 0.00 178.83 180.71 1k2m h GLY 597 N 0.13 0.00 -7.55 0.06 0.00 -1.89 -3.41 103.07 90.41 1k2m h GLY 597 Ca 0.69 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.38 1k2m h GLY 597 CO -0.20 0.00 -0.35 0.14 0.00 0.00 0.00 176.54 176.13 1k2m s VAL 598 N -3.80 5.22 -0.04 4.60 1.01 0.48 -5.05 120.40 122.83 1k2m s VAL 598 Ca -0.00 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1k2m s VAL 598 Cb 0.10 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1k2m s VAL 598 CO 0.54 0.10 0.06 0.21 0.00 0.00 0.00 175.10 176.01 1k2m s ASN 599 N 1.71 0.98 0.43 3.32 2.47 -1.26 -4.03 114.94 118.57 1k2m s ASN 599 Ca 0.11 0.07 -0.02 0.00 0.42 0.00 0.00 52.86 53.44 1k2m s ASN 599 Cb -0.16 -0.13 -0.03 0.00 -1.45 0.00 0.00 41.25 39.48 1k2m s ASN 599 CO 0.11 -0.23 0.69 -2.16 -3.72 0.00 0.00 177.10 171.78 1k2m s PRO 600 N 2.01 3.43 -0.35 0.43 0.04 -1.26 -5.03 135.00 134.27 1k2m s PRO 600 Ca 0.03 -0.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.78 1k2m s PRO 600 Cb -0.12 -2.50 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1k2m s PRO 600 CO -0.03 -0.11 0.59 0.12 0.04 0.00 0.00 177.00 177.61 1k2m s PHE 601 N -2.57 3.17 -0.00 0.56 5.36 0.37 -4.85 117.98 120.01 1k2m s PHE 601 Ca 0.45 0.31 -0.16 0.00 -0.96 0.00 0.00 56.93 56.57 1k2m s PHE 601 Cb -0.10 -3.04 -0.06 0.00 -0.34 0.00 0.00 43.02 39.48 1k2m s PHE 601 CO 0.41 -0.58 0.45 -0.06 -1.46 0.00 0.00 175.22 173.98 1k2m s PHE 602 N 2.58 3.71 -0.01 10.12 0.40 -1.26 0.16 117.98 133.68 1k2m s PHE 602 Ca 0.22 1.04 0.07 0.00 -0.60 0.00 0.00 56.93 57.66 1k2m s PHE 602 Cb -0.15 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 1k2m s PHE 602 CO 0.14 0.56 -0.22 0.42 0.70 0.00 0.00 175.22 176.82 1k2m s ILE 603 N -0.83 1.72 -2.07 0.64 1.09 0.59 0.17 121.20 122.51 1k2m s ILE 603 Ca 0.25 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.84 1k2m s ILE 603 Cb -0.17 -1.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.79 1k2m s ILE 603 CO 0.14 0.46 0.00 0.61 -0.10 0.00 0.00 174.94 176.05 1k2m n GLY 604 N 2.47 -1.57 0.08 6.18 0.00 -1.16 -1.19 105.19 109.99 1k2m n GLY 604 Ca -0.16 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1k2m n GLY 604 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k2m n ARG 605 N -0.20 0.54 -3.82 1.61 0.63 -0.62 -1.12 116.66 113.67 1k2m n ARG 605 Ca 0.00 -0.15 -0.35 0.00 -0.92 0.00 0.00 57.85 56.43 1k2m n ARG 605 Cb 0.00 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.33 1k2m n ARG 605 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1k2m s SER 606 N -2.57 6.00 0.58 6.15 0.01 -1.13 -4.77 113.70 117.96 1k2m s SER 606 Ca 0.26 0.17 0.30 0.00 1.31 0.00 0.00 55.95 57.99 1k2m s SER 606 Cb 0.20 -2.05 1.44 0.00 0.21 0.00 0.00 66.02 65.82 1k2m s SER 606 CO 0.49 0.17 1.84 1.05 0.41 0.00 0.00 173.24 177.21 1k2m h GLU 607 N 6.72 0.00 -0.64 12.44 4.11 -1.89 0.16 114.58 135.47 1k2m h GLU 607 Ca -0.39 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.22 1k2m h GLU 607 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1k2m h GLU 607 CO 0.74 0.00 0.49 -0.44 0.07 0.00 0.00 179.01 179.87 1k2m h ASP 608 N 0.00 0.00 -3.46 3.06 5.19 -1.92 -3.40 116.42 115.89 1k2m h ASP 608 Ca 0.30 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.19 1k2m h ASP 608 Cb 1.50 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 1k2m h ASP 608 CO -0.00 0.00 0.46 0.00 -3.12 0.00 0.00 179.24 176.57 1k2m h ASN 610 N 5.84 0.00 -3.55 0.00 2.35 -0.77 -3.37 115.58 116.07 1k2m h ASN 610 Ca -0.43 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.64 1k2m h ASN 610 Cb 1.21 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.40 1k2m h ASN 610 CO 0.75 0.00 -0.68 0.00 -1.65 0.00 0.00 177.43 175.85 1k2m s LYS 612 N -0.67 2.60 -0.18 0.00 1.02 -1.26 -2.98 119.74 118.27 1k2m s LYS 612 Ca 0.10 -1.15 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 1k2m s LYS 612 Cb -0.11 -3.17 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1k2m s LYS 612 CO 0.02 -0.55 0.07 0.42 -0.92 0.00 0.00 175.35 174.39 1k2m s ILE 613 N 1.30 0.15 -0.56 2.17 -1.09 -0.28 -4.98 121.20 117.91 1k2m s ILE 613 Ca -0.03 -0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 57.85 1k2m s ILE 613 Cb -0.19 -0.75 0.05 0.00 -1.58 0.00 0.00 42.46 39.99 1k2m s ILE 613 CO -0.01 -0.26 0.86 -1.61 -1.23 0.00 0.00 174.94 172.69 1k2m s GLU 614 N 2.03 3.23 -0.18 2.79 2.02 -1.26 -2.76 118.70 124.58 1k2m s GLU 614 Ca 0.01 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 1k2m s GLU 614 Cb -0.16 -4.10 0.05 0.00 0.10 0.00 0.00 34.13 30.01 1k2m s GLU 614 CO -0.09 -1.49 -0.02 0.34 0.02 0.00 0.00 175.26 174.03 1k2m s ASP 615 N 2.99 2.90 0.43 -0.19 2.15 -1.26 -5.01 116.67 118.67 1k2m s ASP 615 Ca 0.25 -0.74 0.28 0.00 0.43 0.00 0.00 52.55 52.76 1k2m s ASP 615 Cb -0.15 -0.81 1.36 0.00 -0.30 0.00 0.00 42.92 43.01 1k2m s ASP 615 CO 0.15 -0.23 1.65 0.78 -0.17 0.00 0.00 175.17 177.35 1k2m h ASN 616 N 8.15 0.28 0.65 -0.34 2.35 -2.02 1.01 115.58 125.66 1k2m h ASN 616 Ca -0.20 0.13 -0.22 0.00 -0.55 0.00 0.00 56.30 55.45 1k2m h ASN 616 Cb 1.11 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1k2m h ASN 616 CO 0.37 -0.14 -1.00 0.03 -1.65 0.00 0.00 177.43 175.05 1k2m h ARG 617 N 0.14 0.20 -7.28 0.81 -0.00 -2.00 -3.46 114.38 102.80 1k2m h ARG 617 Ca 0.78 -0.26 -0.52 0.00 -0.50 0.00 0.00 59.98 59.48 1k2m h ARG 617 Cb 2.36 0.09 0.17 0.00 0.00 0.00 0.00 29.97 32.58 1k2m h ARG 617 CO -0.40 1.04 0.28 -0.51 0.00 0.00 0.00 179.97 180.37 1k2m s LEU 618 N -7.26 2.97 0.37 3.04 1.02 0.35 -4.85 118.68 114.32 1k2m s LEU 618 Ca -0.03 2.07 0.08 0.00 0.02 0.00 0.00 54.13 56.27 1k2m s LEU 618 Cb 0.09 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.71 1k2m s LEU 618 CO 0.84 -2.62 0.24 -0.44 0.02 0.00 0.00 176.35 174.39 1k2m s SER 619 N -2.87 4.83 0.16 2.29 0.01 -1.26 -4.79 113.70 112.06 1k2m s SER 619 Ca 0.65 -0.78 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1k2m s SER 619 Cb -0.21 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.37 1k2m s SER 619 CO 0.56 -0.45 1.58 0.03 0.41 0.00 0.00 173.24 175.36 1k2m h ARG 620 N 1.34 -0.26 -2.32 12.44 3.08 -1.94 -1.50 114.38 125.22 1k2m h ARG 620 Ca -0.43 0.02 -0.67 0.00 0.07 0.00 0.00 59.98 58.97 1k2m h ARG 620 Cb 1.26 0.06 -0.37 0.00 0.08 0.00 0.00 29.97 31.00 1k2m h ARG 620 CO 0.62 -0.18 -0.07 0.28 -1.07 0.00 0.00 179.97 179.56 1k2m n VAL 621 N -5.42 3.97 -0.20 2.04 0.31 -1.26 -2.83 118.33 114.95 1k2m n VAL 621 Ca 0.01 -5.67 -0.01 0.00 -0.01 0.00 0.00 64.34 58.66 1k2m n VAL 621 Cb 0.35 -1.60 0.07 0.00 -0.91 0.00 0.00 33.84 31.75 1k2m n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2m h HIS 622 N 3.69 -0.20 -2.29 3.52 2.76 -0.93 -3.38 115.15 118.33 1k2m h HIS 622 Ca 0.26 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.57 1k2m h HIS 622 Cb 0.49 0.18 -0.15 0.00 1.55 0.00 0.00 27.41 29.47 1k2m h HIS 622 CO 0.97 -0.22 0.47 0.00 -1.30 0.00 0.00 177.93 177.86 1k2m s PHE 624 N -3.03 0.00 -0.17 0.00 -0.71 1.00 0.22 117.98 115.28 1k2m s PHE 624 Ca 0.04 -0.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.83 1k2m s PHE 624 Cb -0.01 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1k2m s PHE 624 CO -0.08 -0.21 0.10 0.42 -1.34 0.00 0.00 175.22 174.10 1k2m s ILE 625 N -0.96 5.12 -0.07 -4.49 1.01 0.43 0.16 121.20 122.41 1k2m s ILE 625 Ca -0.10 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1k2m s ILE 625 Cb -0.06 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1k2m s ILE 625 CO 0.01 0.49 -0.20 0.12 0.00 0.00 0.00 174.94 175.36 1k2m s PHE 626 N 0.05 2.09 -0.12 3.97 5.36 0.57 0.14 117.98 130.04 1k2m s PHE 626 Ca 0.08 -0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 55.24 1k2m s PHE 626 Cb -0.12 -1.40 -0.05 0.00 -0.34 0.00 0.00 43.02 41.11 1k2m s PHE 626 CO 0.00 -0.26 0.22 0.21 -1.46 0.00 0.00 175.22 173.93 1k2m s LYS 627 N 0.16 3.82 0.09 10.12 2.47 -1.26 0.16 119.74 135.29 1k2m s LYS 627 Ca -0.09 0.01 0.02 0.00 -1.56 0.00 0.00 55.97 54.34 1k2m s LYS 627 Cb -0.14 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1k2m s LYS 627 CO 0.05 0.58 -0.07 0.21 0.16 0.00 0.00 175.35 176.28 1k2m s LYS 628 N -0.52 0.78 -0.12 4.03 2.36 0.18 -4.94 119.74 121.52 1k2m s LYS 628 Ca 0.16 -1.22 -0.30 0.00 -2.55 0.00 0.00 55.97 52.06 1k2m s LYS 628 Cb -0.13 -0.24 -0.02 0.00 -1.05 0.00 0.00 37.83 36.40 1k2m s LYS 628 CO 0.05 -0.00 1.12 -0.98 1.55 0.00 0.00 175.35 177.09 1k2m s ARG 629 N -3.37 4.34 0.03 4.03 1.04 -1.26 0.19 118.95 123.95 1k2m s ARG 629 Ca 0.08 1.53 -0.30 0.00 -1.04 0.00 0.00 55.73 56.00 1k2m s ARG 629 Cb 0.02 -3.60 -0.04 0.00 -2.04 0.00 0.00 34.95 29.29 1k2m s ARG 629 CO -0.04 -0.48 1.01 -1.58 -0.04 0.00 0.00 175.30 174.17 1k2m s HIS 630 N 2.54 3.65 -0.25 5.89 5.65 0.49 -4.84 115.29 128.41 1k2m s HIS 630 Ca 0.51 1.66 -0.26 0.00 0.25 0.00 0.00 55.06 57.23 1k2m s HIS 630 Cb -0.21 -3.15 0.10 0.00 -1.18 0.00 0.00 32.58 28.14 1k2m s HIS 630 CO 0.17 -0.16 0.91 0.00 -0.65 0.00 0.00 174.74 175.01 1k2m s ALA 631 N 0.82 -1.90 -0.14 1.58 0.00 -1.26 -2.13 121.76 118.73 1k2m s ALA 631 Ca 0.52 1.87 -0.03 0.00 0.00 0.00 0.00 51.96 54.32 1k2m s ALA 631 Cb -0.23 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1k2m s ALA 631 CO 0.29 -0.28 -0.04 0.14 0.00 0.00 0.00 175.76 175.87 1k2m s VAL 632 N 0.07 3.91 -0.34 0.00 -7.23 -1.26 -5.04 120.40 110.51 1k2m s VAL 632 Ca 0.01 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.54 1k2m s VAL 632 Cb -0.04 -2.69 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 1k2m s VAL 632 CO -0.02 0.52 2.31 0.61 -0.31 0.00 0.00 175.10 178.20 1k2m n GLY 633 N 3.23 0.65 1.57 2.32 0.00 -1.26 -4.46 105.19 107.23 1k2m n GLY 633 Ca -0.18 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1k2m n GLY 633 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k2m n LYS 634 N 8.81 -4.44 -4.18 1.61 4.81 -1.26 -5.00 118.16 118.52 1k2m n LYS 634 Ca 0.34 3.24 -0.28 0.00 -0.87 0.00 0.00 58.31 60.74 1k2m n LYS 634 Cb 0.46 -3.59 -0.17 0.00 0.02 0.00 0.00 35.03 31.75 1k2m n LYS 634 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1k2m s SER 635 N -2.39 2.29 -0.02 3.14 0.01 -1.26 -5.11 113.70 110.36 1k2m s SER 635 Ca 0.00 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.92 1k2m s SER 635 Cb 0.00 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 1k2m s SER 635 CO 0.00 -0.05 -0.13 -0.04 0.41 0.00 0.00 173.24 173.43 1k2m s MET 636 N 1.31 1.22 0.00 12.44 -1.94 -1.26 -4.93 119.30 126.14 1k2m s MET 636 Ca -0.01 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1k2m s MET 636 Cb -0.14 -1.14 0.00 0.00 2.01 0.00 0.00 34.83 35.57 1k2m s MET 636 CO -0.05 0.25 0.00 0.66 -0.01 0.00 0.00 175.02 175.86 1k2m n TYR 637 N 2.94 0.00 -2.55 -0.03 4.01 -1.26 -4.79 117.16 115.48 1k2m n TYR 637 Ca -0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.19 1k2m n TYR 637 Cb 0.55 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1k2m n TYR 637 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1k2m s GLU 638 N 0.00 4.60 -0.27 -0.72 2.56 -1.26 -5.03 118.70 118.59 1k2m s GLU 638 Ca 0.00 1.67 -0.13 0.00 0.00 0.00 0.00 54.97 56.51 1k2m s GLU 638 Cb 0.00 -3.08 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 1k2m s GLU 638 CO 0.00 0.22 0.30 0.45 -0.56 0.00 0.00 175.26 175.67 1k2m s SER 639 N -1.09 6.18 0.08 -1.70 0.15 -1.26 -4.91 113.70 111.16 1k2m s SER 639 Ca 0.46 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1k2m s SER 639 Cb -0.29 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1k2m s SER 639 CO 0.36 -0.12 0.00 -0.81 1.20 0.00 0.00 173.24 173.88 1k2m n PRO 640 N 5.11 1.54 -0.16 5.44 -0.04 -1.26 -4.95 135.00 140.68 1k2m n PRO 640 Ca -0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 1k2m n PRO 640 Cb 0.51 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.08 1k2m n PRO 640 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2m n ALA 641 N -3.00 2.57 -0.84 0.55 0.00 -1.26 -4.95 120.51 113.58 1k2m n ALA 641 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1k2m n ALA 641 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1k2m n ALA 641 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k2m n GLN 642 N 0.20 0.00 -2.72 0.00 3.00 -1.26 -3.53 117.38 113.07 1k2m n GLN 642 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1k2m n GLN 642 Cb 0.28 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.56 1k2m n GLN 642 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k2m n GLY 643 N 0.00 -0.93 0.00 1.08 0.00 -1.25 -4.61 105.19 99.48 1k2m n GLY 643 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1k2m n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 644 N 2.18 0.00 -4.30 0.99 7.99 -0.91 -4.82 117.00 118.13 1k2m n LEU 644 Ca 0.10 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.84 1k2m n LEU 644 Cb 0.63 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.81 1k2m n LEU 644 CO -0.05 0.00 -0.54 -1.81 -1.51 0.00 0.00 177.39 173.49 1k2m s ASP 645 N -0.62 2.75 0.13 -1.43 1.01 -1.25 0.18 116.67 117.44 1k2m s ASP 645 Ca 0.00 -0.64 0.04 0.00 0.71 0.00 0.00 52.55 52.67 1k2m s ASP 645 Cb 0.00 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1k2m s ASP 645 CO 0.00 0.14 -0.10 -1.81 0.21 0.00 0.00 175.17 173.60 1k2m s ASP 646 N -1.64 1.70 -0.20 0.27 1.01 0.50 -4.10 116.67 114.22 1k2m s ASP 646 Ca 0.09 -0.94 -0.04 0.00 0.71 0.00 0.00 52.55 52.36 1k2m s ASP 646 Cb -0.10 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 1k2m s ASP 646 CO 0.04 -0.30 -0.03 0.27 0.21 0.00 0.00 175.17 175.36 1k2m s ILE 647 N -3.00 3.66 -0.17 0.77 -4.36 -1.26 0.51 121.20 117.35 1k2m s ILE 647 Ca 0.13 -0.41 -0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1k2m s ILE 647 Cb 0.01 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1k2m s ILE 647 CO 0.00 0.43 -0.03 0.26 0.24 0.00 0.00 174.94 175.85 1k2m s TRP 648 N 1.13 3.04 -0.31 1.37 0.52 0.41 -0.37 118.94 124.73 1k2m s TRP 648 Ca 0.02 -0.32 -0.19 0.00 0.02 0.00 0.00 56.10 55.62 1k2m s TRP 648 Cb -0.15 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1k2m s TRP 648 CO 0.00 -0.08 0.59 -0.47 0.02 0.00 0.00 176.95 177.01 1k2m s TYR 649 N 0.51 3.22 -0.12 -1.98 6.14 0.38 0.21 117.35 125.71 1k2m s TYR 649 Ca -0.02 0.52 -0.06 0.00 0.64 0.00 0.00 57.07 58.15 1k2m s TYR 649 Cb -0.14 -2.93 -0.04 0.00 0.42 0.00 0.00 41.96 39.27 1k2m s TYR 649 CO 0.03 -0.45 0.09 0.00 0.64 0.00 0.00 175.55 175.85 1k2m s HIS 651 N -0.73 2.72 0.00 0.00 2.46 0.01 -0.00 115.29 119.75 1k2m s HIS 651 Ca 0.13 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 54.81 1k2m s HIS 651 Cb -0.12 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.53 1k2m s HIS 651 CO 0.03 -0.32 0.27 0.25 -2.47 0.00 0.00 174.74 172.49 1k2m n THR 652 N 3.60 0.00 -2.58 0.89 -2.24 -0.33 0.11 114.28 113.72 1k2m n THR 652 Ca -0.19 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 1k2m n THR 652 Cb 0.53 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.92 1k2m n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k2m s GLY 653 N -0.19 3.01 0.00 3.38 0.00 0.54 -4.81 107.32 109.25 1k2m s GLY 653 Ca 0.00 0.77 0.18 0.00 0.00 0.00 0.00 44.72 45.67 1k2m s GLY 653 CO 0.00 1.46 1.56 2.41 0.00 0.00 0.00 173.10 178.53 1k2m n THR 654 N 1.77 0.65 1.53 0.90 -1.04 -1.26 -2.42 114.28 114.42 1k2m n THR 654 Ca 0.00 0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.29 1k2m n THR 654 Cb 0.46 -0.86 0.52 0.00 -1.82 0.00 0.00 70.33 68.63 1k2m n THR 654 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1k2m n ASN 655 N -1.41 1.13 -1.37 8.00 3.02 -1.26 -4.95 115.26 118.42 1k2m n ASN 655 Ca 0.06 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1k2m n ASN 655 Cb 0.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1k2m n ASN 655 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k2m n VAL 656 N -0.07 -3.94 -4.34 2.41 0.31 -1.01 -4.83 118.33 106.85 1k2m n VAL 656 Ca 0.18 1.79 -0.24 0.00 -0.01 0.00 0.00 64.34 66.06 1k2m n VAL 656 Cb 0.26 -2.59 -0.08 0.00 -0.91 0.00 0.00 33.84 30.52 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1k2m s SER 657 N -3.89 4.21 -0.06 4.52 0.01 0.16 -4.39 113.70 114.26 1k2m s SER 657 Ca 0.00 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 1k2m s SER 657 Cb 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1k2m s SER 657 CO 0.00 -0.09 0.03 -0.31 0.41 0.00 0.00 173.24 173.28 1k2m s TYR 658 N -2.44 0.40 -0.57 2.43 1.51 0.34 0.13 117.35 119.15 1k2m s TYR 658 Ca 0.33 -0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 56.21 1k2m s TYR 658 Cb -0.04 -0.66 0.12 0.00 -0.11 0.00 0.00 41.96 41.27 1k2m s TYR 658 CO 0.19 -0.28 0.59 -1.17 -1.11 0.00 0.00 175.55 173.76 1k2m s LEU 659 N 2.06 5.90 0.00 -1.29 1.98 0.22 0.09 118.68 127.64 1k2m s LEU 659 Ca 0.05 -1.68 0.00 0.00 -2.89 0.00 0.00 54.13 49.60 1k2m s LEU 659 Cb -0.12 -2.25 0.00 0.00 0.66 0.00 0.00 46.19 44.48 1k2m s LEU 659 CO -0.04 -0.95 0.00 0.59 -1.89 0.00 0.00 176.35 174.06 1k2m n ASN 660 N 5.63 0.00 0.00 3.68 4.13 -0.93 -0.28 115.26 127.49 1k2m n ASN 660 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1k2m n ASN 660 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 1k2m n ASN 660 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k2m n ASN 661 N 1.74 0.35 -4.86 6.41 4.13 -1.26 -5.03 115.26 116.73 1k2m n ASN 661 Ca 0.00 -0.86 -0.37 0.00 1.68 0.00 0.00 54.58 55.03 1k2m n ASN 661 Cb 0.00 0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1k2m s ASN 662 N -0.07 6.60 0.24 6.41 -0.87 0.62 -5.08 114.94 122.79 1k2m s ASN 662 Ca 0.00 0.72 -0.27 0.00 -1.57 0.00 0.00 52.86 51.74 1k2m s ASN 662 Cb 0.00 -2.16 -0.09 0.00 -0.02 0.00 0.00 41.25 38.99 1k2m s ASN 662 CO 0.00 0.32 0.88 -0.13 -2.57 0.00 0.00 177.10 175.60 1k2m s ARG 663 N -1.30 4.66 -0.34 -0.60 0.52 -1.26 -0.61 118.95 120.02 1k2m s ARG 663 Ca 0.23 1.31 0.03 0.00 -0.52 0.00 0.00 55.73 56.78 1k2m s ARG 663 Cb -0.14 -3.11 0.10 0.00 0.52 0.00 0.00 34.95 32.32 1k2m s ARG 663 CO 0.12 0.46 0.07 -1.64 0.02 0.00 0.00 175.30 174.33 1k2m s MET 664 N -1.48 1.32 0.36 3.54 -1.94 0.34 -4.80 119.30 116.65 1k2m s MET 664 Ca 0.42 -1.73 -0.09 0.00 -1.71 0.00 0.00 55.69 52.58 1k2m s MET 664 Cb -0.22 -2.91 -0.06 0.00 2.01 0.00 0.00 34.83 33.65 1k2m s MET 664 CO 0.27 -0.96 0.70 0.96 -0.01 0.00 0.00 175.02 175.98 1k2m s ILE 665 N 1.00 4.84 -0.65 2.53 -4.36 -1.26 0.38 121.20 123.68 1k2m s ILE 665 Ca 0.11 0.49 -0.33 0.00 -0.26 0.00 0.00 60.65 60.67 1k2m s ILE 665 Cb -0.19 -3.72 -0.15 0.00 1.25 0.00 0.00 42.46 39.65 1k2m s ILE 665 CO -0.12 -0.43 2.43 1.67 0.24 0.00 0.00 174.94 178.74 1k2m n GLN 666 N -1.09 0.52 0.00 0.37 7.27 -1.26 -1.69 117.38 121.49 1k2m n GLN 666 Ca 0.01 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1k2m n GLN 666 Cb 0.54 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.99 1k2m n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2m n GLY 667 N 6.53 1.01 3.25 1.69 0.00 0.30 -4.95 105.19 113.00 1k2m n GLY 667 Ca 0.52 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 1k2m n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2m s THR 668 N -2.00 1.41 0.05 2.61 -4.23 -0.68 -0.93 115.64 111.86 1k2m s THR 668 Ca 0.00 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1k2m s THR 668 Cb 0.00 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 1k2m s THR 668 CO 0.00 -0.32 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.79 1k2m s LYS 669 N -2.43 1.43 0.01 3.99 2.20 0.95 -0.81 119.74 125.09 1k2m s LYS 669 Ca 0.08 -0.98 -0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1k2m s LYS 669 Cb -0.07 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 1k2m s LYS 669 CO 0.04 0.40 -0.01 0.12 -0.36 0.00 0.00 175.35 175.53 1k2m s PHE 670 N -0.83 0.14 0.16 4.03 2.19 0.56 -0.15 117.98 124.08 1k2m s PHE 670 Ca 0.08 -0.29 -0.31 0.00 0.33 0.00 0.00 56.93 56.74 1k2m s PHE 670 Cb -0.09 -0.11 -0.09 0.00 -1.31 0.00 0.00 43.02 41.43 1k2m s PHE 670 CO 0.02 -0.11 1.39 -1.17 1.83 0.00 0.00 175.22 177.18 1k2m s LEU 671 N -0.84 4.39 -0.24 6.12 1.98 -1.26 0.15 118.68 128.97 1k2m s LEU 671 Ca -0.09 2.42 -0.06 0.00 -2.89 0.00 0.00 54.13 53.50 1k2m s LEU 671 Cb -0.06 -3.60 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 1k2m s LEU 671 CO -0.01 -0.64 0.04 -0.76 -1.89 0.00 0.00 176.35 173.09 1k2m s LEU 672 N 0.58 3.29 0.29 -0.68 1.43 0.50 -4.85 118.68 119.24 1k2m s LEU 672 Ca 0.62 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1k2m s LEU 672 Cb -0.38 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1k2m s LEU 672 CO 0.34 -0.02 0.13 -1.10 0.23 0.00 0.00 176.35 175.93 1k2m s GLN 673 N 1.51 2.52 -0.28 1.70 -0.21 -0.39 -4.25 119.66 120.26 1k2m s GLN 673 Ca 0.06 -1.36 -0.29 0.00 0.02 0.00 0.00 55.36 53.79 1k2m s GLN 673 Cb -0.15 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.50 1k2m s GLN 673 CO 0.02 0.26 2.25 -3.47 -2.12 0.00 0.00 175.29 172.22 1k2m n ASP 674 N -1.10 2.94 -0.02 5.90 2.03 -1.26 -1.26 116.55 123.78 1k2m n ASP 674 Ca -0.05 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1k2m n ASP 674 Cb 0.60 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1k2m n ASP 674 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k2m n GLY 675 N 5.94 1.52 3.60 0.27 0.00 0.50 -4.92 105.19 112.10 1k2m n GLY 675 Ca 0.33 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1k2m n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2m s ASP 676 N -2.12 6.61 -0.45 1.61 2.15 -0.39 -4.72 116.67 119.35 1k2m s ASP 676 Ca 0.00 0.47 -0.18 0.00 0.43 0.00 0.00 52.55 53.27 1k2m s ASP 676 Cb 0.00 -2.41 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1k2m s ASP 676 CO 0.00 -0.74 0.51 -0.70 -0.17 0.00 0.00 175.17 174.07 1k2m s GLU 677 N 3.16 3.11 -0.12 4.34 2.12 -1.26 0.14 118.70 130.19 1k2m s GLU 677 Ca 0.33 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.84 1k2m s GLU 677 Cb -0.13 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.21 1k2m s GLU 677 CO 0.16 -0.99 -0.03 0.42 -0.54 0.00 0.00 175.26 174.28 1k2m s ILE 678 N 2.31 3.96 -0.26 -3.70 1.01 0.32 -2.19 121.20 122.65 1k2m s ILE 678 Ca 0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1k2m s ILE 678 Cb -0.18 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1k2m s ILE 678 CO 0.13 0.54 0.04 -0.54 0.00 0.00 0.00 174.94 175.11 1k2m s LYS 679 N -0.18 3.32 0.15 2.79 1.02 0.11 0.05 119.74 127.00 1k2m s LYS 679 Ca 0.04 -0.69 0.20 0.00 0.02 0.00 0.00 55.97 55.54 1k2m s LYS 679 Cb -0.13 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1k2m s LYS 679 CO 0.02 -0.30 0.95 0.44 -0.92 0.00 0.00 175.35 175.54 1k2m n ILE 680 N 4.86 0.82 -3.69 2.17 -5.35 -1.25 0.13 119.36 117.05 1k2m n ILE 680 Ca -0.16 -0.60 -0.10 0.00 -0.27 0.00 0.00 62.75 61.62 1k2m n ILE 680 Cb 0.50 -0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 37.81 1k2m n ILE 680 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1k2m s ILE 681 N -3.20 -0.02 -0.03 7.28 1.01 -1.26 -4.22 121.20 120.75 1k2m s ILE 681 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1k2m s ILE 681 Cb 0.09 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1k2m s ILE 681 CO 0.80 0.03 0.00 0.86 0.00 0.00 0.00 174.94 176.63 1k2m s TRP 682 N 1.44 0.33 -0.18 3.97 -0.00 -1.24 0.32 118.94 123.57 1k2m s TRP 682 Ca -0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 56.10 56.01 1k2m s TRP 682 Cb -0.08 -0.43 0.03 0.00 -0.00 0.00 0.00 33.47 32.99 1k2m s TRP 682 CO -0.14 -0.14 -0.14 0.34 -0.00 0.00 0.00 176.95 176.87 1k2m s ASP 683 N 1.09 3.18 0.06 5.86 -1.08 0.33 -4.95 116.67 121.16 1k2m s ASP 683 Ca -0.09 -0.74 -0.20 0.00 -0.52 0.00 0.00 52.55 51.01 1k2m s ASP 683 Cb -0.13 -1.30 -0.11 0.00 -1.46 0.00 0.00 42.92 39.92 1k2m s ASP 683 CO -0.02 -0.09 1.47 0.50 0.52 0.00 0.00 175.17 177.55 1k2m h LYS 684 N 7.98 0.36 0.23 4.34 3.64 -1.94 0.27 116.57 131.44 1k2m h LYS 684 Ca -0.35 -0.13 -0.33 0.00 -1.27 0.00 0.00 60.65 58.57 1k2m h LYS 684 Cb 1.12 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1k2m h LYS 684 CO 0.53 0.61 -1.50 -0.91 -2.27 0.00 0.00 179.45 175.90 1k2m h ASN 685 N 0.09 0.76 1.43 4.20 2.35 -1.98 -3.30 115.58 119.12 1k2m h ASN 685 Ca 0.05 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1k2m h ASN 685 Cb 0.46 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1k2m h ASN 685 CO 0.02 1.71 0.00 -3.20 -1.65 0.00 0.00 177.43 174.31 1k2m n ASN 686 N -3.73 0.74 -0.59 5.81 2.85 -1.25 -4.90 115.26 114.19 1k2m n ASN 686 Ca -0.19 0.57 -0.08 0.00 -0.11 0.00 0.00 54.58 54.77 1k2m n ASN 686 Cb 1.07 -0.77 -0.03 0.00 1.24 0.00 0.00 39.78 41.29 1k2m n ASN 686 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1k2m n LYS 687 N -2.19 -1.35 -2.46 1.20 5.02 0.93 -4.91 118.16 114.39 1k2m n LYS 687 Ca 0.06 0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 56.64 1k2m n LYS 687 Cb 0.42 -4.89 -0.03 0.00 -0.02 0.00 0.00 35.03 30.52 1k2m n LYS 687 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1k2m s PHE 688 N -1.88 2.37 -0.17 2.13 2.19 -1.09 -4.82 117.98 116.71 1k2m s PHE 688 Ca 0.00 0.39 0.01 0.00 0.33 0.00 0.00 56.93 57.66 1k2m s PHE 688 Cb 0.00 -4.46 0.01 0.00 -1.31 0.00 0.00 43.02 37.26 1k2m s PHE 688 CO 0.00 -1.88 -0.18 0.54 1.83 0.00 0.00 175.22 175.54 1k2m s VAL 689 N 5.73 2.31 0.01 3.12 0.11 -1.26 0.12 120.40 130.55 1k2m s VAL 689 Ca 0.47 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1k2m s VAL 689 Cb -0.09 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1k2m s VAL 689 CO 0.24 0.52 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.81 1k2m s ILE 690 N 1.14 3.43 -0.30 7.04 -1.09 0.15 0.98 121.20 132.56 1k2m s ILE 690 Ca 0.01 -0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 57.39 1k2m s ILE 690 Cb -0.14 -2.49 0.16 0.00 -1.58 0.00 0.00 42.46 38.42 1k2m s ILE 690 CO -0.08 0.37 1.02 -0.83 -1.23 0.00 0.00 174.94 174.20 1k2m s GLY 691 N -1.44 -0.05 0.04 6.18 0.00 -1.26 -3.89 107.32 106.91 1k2m s GLY 691 Ca 0.17 3.17 0.06 0.00 0.00 0.00 0.00 44.72 48.11 1k2m s GLY 691 CO 0.07 3.04 -0.11 -1.36 0.00 0.00 0.00 173.10 174.74 1k2m s PHE 692 N 2.02 2.74 -0.31 1.90 0.08 0.11 -2.45 117.98 122.07 1k2m s PHE 692 Ca -0.05 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 1k2m s PHE 692 Cb -0.05 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1k2m s PHE 692 CO -0.16 0.35 0.19 0.21 -0.10 0.00 0.00 175.22 175.71 1k2m s LYS 693 N -1.65 3.59 -0.15 0.44 2.47 -0.85 -0.52 119.74 123.08 1k2m s LYS 693 Ca 0.18 -0.56 -0.28 0.00 -1.56 0.00 0.00 55.97 53.75 1k2m s LYS 693 Cb -0.11 -3.67 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 1k2m s LYS 693 CO 0.09 -0.34 0.94 0.08 0.16 0.00 0.00 175.35 176.27 1k2m s VAL 694 N 1.70 4.81 -0.21 4.02 1.01 0.37 -0.21 120.40 131.88 1k2m s VAL 694 Ca 0.06 1.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 1k2m s VAL 694 Cb -0.17 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.04 1k2m s VAL 694 CO 0.09 -0.01 0.03 -1.61 0.00 0.00 0.00 175.10 173.60 1k2m s GLU 695 N 2.20 0.79 -0.54 2.72 2.02 0.34 0.19 118.70 126.42 1k2m s GLU 695 Ca 0.44 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 1k2m s GLU 695 Cb -0.17 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1k2m s GLU 695 CO 0.14 -0.68 1.55 0.42 0.02 0.00 0.00 175.26 176.71 1k2m s ILE 696 N 1.77 3.66 -0.18 -1.63 1.01 -1.26 -0.22 121.20 124.35 1k2m s ILE 696 Ca -0.00 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 61.02 1k2m s ILE 696 Cb -0.17 -4.23 -0.22 0.00 0.01 0.00 0.00 42.46 37.85 1k2m s ILE 696 CO -0.10 -1.01 0.30 0.78 0.00 0.00 0.00 174.94 174.91 1k2m h ASN 697 N 12.04 0.12 -3.71 3.58 -0.26 -1.38 -3.47 115.58 122.49 1k2m h ASN 697 Ca -0.28 -0.64 -0.68 0.00 -0.56 0.00 0.00 56.30 54.14 1k2m h ASN 697 Cb 1.12 -0.04 -0.20 0.00 -1.06 0.00 0.00 38.32 38.14 1k2m h ASN 697 CO 1.16 1.56 -0.71 -0.62 -1.06 0.00 0.00 177.43 177.76 1k2m s ASP 698 N -6.88 4.53 -0.38 5.81 2.15 -0.97 -5.01 116.67 115.91 1k2m s ASP 698 Ca -0.26 -0.06 -0.00 0.00 0.43 0.00 0.00 52.55 52.65 1k2m s ASP 698 Cb 0.06 -1.15 0.10 0.00 -0.30 0.00 0.00 42.92 41.63 1k2m s ASP 698 CO 0.65 0.35 0.14 0.42 -0.17 0.00 0.00 175.17 176.55 1k2m s THR 699 N -0.72 2.90 -0.81 1.71 -4.23 -1.26 -4.36 115.64 108.87 1k2m s THR 699 Ca 0.11 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1k2m s THR 699 Cb -0.11 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1k2m s THR 699 CO 0.01 -0.62 1.98 1.07 -0.54 0.00 0.00 174.62 176.52 1k2m n THR 700 N 4.47 2.07 -3.29 3.99 5.66 -1.26 -4.26 114.28 121.66 1k2m n THR 700 Ca -0.01 -1.41 -0.16 0.00 -3.05 0.00 0.00 64.05 59.42 1k2m n THR 700 Cb 0.42 -2.16 0.07 0.00 -1.55 0.00 0.00 70.33 67.11 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k2m n GLY 701 N 4.05 -1.11 3.91 1.09 0.00 -1.26 -4.78 105.19 107.08 1k2m n GLY 701 Ca 0.44 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.69 1k2m n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2m s LEU 702 N -5.51 4.35 0.44 0.99 1.43 -1.26 -3.82 118.68 115.30 1k2m s LEU 702 Ca 0.44 0.39 0.25 0.00 -1.03 0.00 0.00 54.13 54.18 1k2m s LEU 702 Cb -0.06 -2.89 1.28 0.00 0.03 0.00 0.00 46.19 44.54 1k2m s LEU 702 CO 0.75 0.19 1.75 2.19 0.23 0.00 0.00 176.35 181.45 1k2m h PHE 703 N 3.36 0.46 0.00 0.29 -0.00 -1.90 -3.38 116.94 115.77 1k2m h PHE 703 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1k2m h PHE 703 Cb 1.17 -0.13 0.00 0.00 -0.00 0.00 0.00 35.95 36.99 1k2m h PHE 703 CO 0.64 -0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.23 1k2m n ASN 704 N -4.52 -0.50 0.00 -0.68 5.15 -1.26 -5.05 115.26 108.40 1k2m n ASN 704 Ca 0.28 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1k2m n ASN 704 Cb 1.08 0.72 0.00 0.00 -0.53 0.00 0.00 39.78 41.05 1k2m n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1k2m n GLU 705 N -2.69 0.00 0.00 1.20 0.28 -1.26 -4.96 120.64 113.21 1k2m n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2m n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2m n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2m n GLY 706 N 0.00 0.00 0.47 -1.84 0.00 -1.26 -4.64 105.19 97.92 1k2m n GLY 706 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1k2m n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 707 N 0.00 1.37 0.00 0.99 4.77 -1.26 -1.26 117.00 121.60 1k2m n LEU 707 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1k2m n LEU 707 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1k2m n LEU 707 CO 0.00 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1k2m n GLY 708 N 0.97 2.15 2.62 -0.72 0.00 -1.26 -4.93 105.19 104.02 1k2m n GLY 708 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1k2m n GLY 708 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k2m n MET 709 N 0.00 -4.51 -3.05 1.61 0.00 -1.26 -5.07 117.12 104.84 1k2m n MET 709 Ca 0.00 3.41 0.00 0.00 0.00 0.00 0.00 57.70 61.11 1k2m n MET 709 Cb 0.00 -5.03 0.00 0.00 0.00 0.00 0.00 33.22 28.19 1k2m n MET 709 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1k2m n LEU 710 N 1.68 0.00 0.01 -0.89 -0.00 -1.26 -5.03 117.00 111.51 1k2m n LEU 710 Ca -0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.52 1k2m n LEU 710 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.00 1k2m n LEU 710 CO 0.40 0.00 0.77 -0.61 -0.00 0.00 0.00 177.39 177.95 1k2m h GLN 711 N 0.00 -0.19 -6.79 1.47 5.75 -2.05 -3.41 115.11 109.88 1k2m h GLN 711 Ca 0.00 0.01 -0.50 0.00 -0.15 0.00 0.00 58.65 58.01 1k2m h GLN 711 Cb 0.00 0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.60 1k2m h GLN 711 CO 0.00 -0.12 0.45 -1.21 -2.65 0.00 0.00 178.83 175.30 1k2m s GLU 712 N -6.15 4.69 -0.47 1.69 2.02 -1.26 -5.01 118.70 114.21 1k2m s GLU 712 Ca -0.14 1.74 -0.10 0.00 0.02 0.00 0.00 54.97 56.49 1k2m s GLU 712 Cb 0.10 -3.21 0.11 0.00 0.10 0.00 0.00 34.13 31.23 1k2m s GLU 712 CO 0.67 0.27 0.35 -0.65 0.02 0.00 0.00 175.26 175.92 1k2m s GLN 713 N -1.39 2.56 -0.58 1.61 -1.52 -1.26 -4.77 119.66 114.31 1k2m s GLN 713 Ca 0.44 -1.70 -0.20 0.00 -1.95 0.00 0.00 55.36 51.95 1k2m s GLN 713 Cb -0.31 -3.94 0.03 0.00 -0.22 0.00 0.00 33.01 28.57 1k2m s GLN 713 CO 0.39 -1.16 0.64 0.54 -0.25 0.00 0.00 175.29 175.45 1k2m n ARG 714 N 4.95 -1.86 -4.74 2.91 5.12 -1.26 -5.00 116.66 116.77 1k2m n ARG 714 Ca -0.09 1.42 -0.26 0.00 -1.93 0.00 0.00 57.85 57.00 1k2m n ARG 714 Cb 0.41 -3.37 -0.15 0.00 -1.16 0.00 0.00 32.46 28.20 1k2m n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k2m s VAL 715 N -2.29 1.63 -0.01 1.55 -7.23 -1.26 -4.95 120.40 107.84 1k2m s VAL 715 Ca 0.21 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 1k2m s VAL 715 Cb -0.03 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1k2m s VAL 715 CO 0.84 0.28 1.08 -0.69 -0.31 0.00 0.00 175.10 176.30 1k2m s VAL 716 N -0.70 4.53 0.38 1.32 1.01 -1.26 -4.74 120.40 120.94 1k2m s VAL 716 Ca 0.07 1.82 0.07 0.00 0.00 0.00 0.00 61.98 63.94 1k2m s VAL 716 Cb -0.08 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1k2m s VAL 716 CO 0.01 0.09 0.51 -0.76 0.00 0.00 0.00 175.10 174.96 1k2m s LEU 717 N 1.41 3.78 0.15 3.92 1.43 0.79 -4.92 118.68 125.23 1k2m s LEU 717 Ca 0.54 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1k2m s LEU 717 Cb -0.23 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1k2m s LEU 717 CO 0.25 -0.61 0.20 -0.75 0.23 0.00 0.00 176.35 175.68 1k2m s LYS 718 N -4.26 3.15 0.42 1.70 2.20 -1.26 -0.03 119.74 121.65 1k2m s LYS 718 Ca 0.50 -0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 55.28 1k2m s LYS 718 Cb -0.09 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 1k2m s LYS 718 CO 0.32 0.50 0.77 -0.65 -0.36 0.00 0.00 175.35 175.93 1k2m s GLN 719 N -3.14 3.72 0.29 4.03 -0.21 -0.11 -4.59 119.66 119.66 1k2m s GLN 719 Ca 0.33 0.40 0.02 0.00 0.02 0.00 0.00 55.36 56.12 1k2m s GLN 719 Cb -0.11 -2.40 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 1k2m s GLN 719 CO 0.26 -0.06 0.06 0.25 -2.12 0.00 0.00 175.29 173.67 1k2m n THR 720 N -1.48 0.00 0.05 -0.19 -2.24 -1.26 -5.00 114.28 104.16 1k2m n THR 720 Ca 0.02 -1.56 0.14 0.00 -2.27 0.00 0.00 64.05 60.39 1k2m n THR 720 Cb 0.54 0.45 0.62 0.00 -2.10 0.00 0.00 70.33 69.85 1k2m n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2m h ALA 721 N 1.33 2.23 -0.36 6.98 0.00 -1.98 -1.22 119.26 126.22 1k2m h ALA 721 Ca -0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1k2m h ALA 721 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1k2m h ALA 721 CO 0.38 -0.33 0.08 1.49 0.00 0.00 0.00 179.25 180.87 1k2m h GLU 722 N 0.12 0.59 0.07 0.00 4.22 -1.99 -1.44 114.58 116.14 1k2m h GLU 722 Ca 0.19 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 1k2m h GLU 722 Cb 0.60 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1k2m h GLU 722 CO -0.02 0.64 -0.03 0.93 -2.18 0.00 0.00 179.01 178.34 1k2m h GLU 723 N 0.44 -0.09 -0.61 1.92 3.07 -1.65 -2.86 114.58 114.80 1k2m h GLU 723 Ca 0.11 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 1k2m h GLU 723 Cb 0.32 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1k2m h GLU 723 CO 0.00 0.26 0.41 0.87 -1.40 0.00 0.00 179.01 179.16 1k2m h LYS 724 N -0.45 0.28 -0.37 2.33 1.57 -1.31 -0.20 116.57 118.42 1k2m h LYS 724 Ca -0.01 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1k2m h LYS 724 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1k2m h LYS 724 CO 0.02 0.18 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.44 1k2m h ASP 725 N 0.28 0.72 -0.59 0.86 5.19 -1.11 -1.82 116.42 119.95 1k2m h ASP 725 Ca 0.29 -0.24 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1k2m h ASP 725 Cb 0.75 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 1k2m h ASP 725 CO -0.07 0.91 0.38 -0.07 -3.12 0.00 0.00 179.24 177.27 1k2m h LEU 726 N 0.63 0.64 -0.64 1.55 3.38 -0.80 -2.09 115.31 117.98 1k2m h LEU 726 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1k2m h LEU 726 Cb 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1k2m h LEU 726 CO 0.05 0.46 -0.48 1.62 0.09 0.00 0.00 178.44 180.18 1k2m h VAL 727 N 0.76 1.00 -0.62 1.22 3.04 -1.42 -3.14 116.25 117.09 1k2m h VAL 727 Ca 0.23 -1.89 0.10 0.00 -1.01 0.00 0.00 66.70 64.12 1k2m h VAL 727 Cb -0.04 2.13 -0.04 0.00 -2.01 0.00 0.00 31.29 31.33 1k2m h VAL 727 CO -0.07 0.47 0.42 0.50 -1.01 0.00 0.00 177.57 177.87 1k2m h LYS 728 N 0.00 0.44 -1.03 4.17 3.11 -0.60 0.16 116.57 122.81 1k2m h LYS 728 Ca -0.00 -0.03 -0.51 0.00 -2.81 0.00 0.00 60.65 57.30 1k2m h LYS 728 Cb 1.10 -0.10 -0.27 0.00 -1.00 0.00 0.00 32.23 31.96 1k2m h LYS 728 CO 0.06 0.29 0.65 1.63 -2.81 0.00 0.00 179.45 179.27 1k2m n LYS 729 N -4.47 2.24 0.00 1.90 5.02 -1.17 -5.10 118.16 116.57 1k2m n LYS 729 Ca 0.10 -2.77 0.13 0.00 -2.02 0.00 0.00 58.31 53.76 1k2m n LYS 729 Cb 0.36 -2.08 0.36 0.00 -0.02 0.00 0.00 35.03 33.64 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77