#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m h ASN 574 N 0.00 0.00 0.00 1.61 -1.24 -2.06 -3.41 115.58 110.48 1k2m h ASN 574 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1k2m h ASN 574 Cb 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 1k2m h ASN 574 CO 0.00 0.20 -0.21 0.61 -1.29 0.00 0.00 177.43 176.74 1k2m n GLY 575 N 1.24 0.29 3.62 1.57 0.00 -1.26 -5.11 105.19 105.53 1k2m n GLY 575 Ca -0.02 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 0.01 3.97 -0.04 1.61 3.00 -1.26 -2.43 118.95 123.81 1k2m s ARG 576 Ca 0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 55.73 54.33 1k2m s ARG 576 Cb 0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 34.95 31.56 1k2m s ARG 576 CO -0.01 0.10 -0.15 0.34 0.00 0.00 0.00 175.30 175.59 1k2m n PHE 577 N 4.10 0.00 -4.28 5.12 7.35 -0.97 -3.87 117.46 124.90 1k2m n PHE 577 Ca -0.16 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.18 1k2m n PHE 577 Cb 0.52 -0.21 -0.09 0.00 0.35 0.00 0.00 39.48 40.05 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1k2m s LEU 578 N -6.92 3.66 -0.25 -2.13 0.20 -1.03 -0.95 118.68 111.25 1k2m s LEU 578 Ca -0.12 0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.83 1k2m s LEU 578 Cb 0.02 -1.86 0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1k2m s LEU 578 CO 0.18 0.34 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.62 1k2m s THR 579 N -0.62 2.76 -0.40 3.68 2.01 0.63 0.15 115.64 123.85 1k2m s THR 579 Ca 0.10 -1.16 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 1k2m s THR 579 Cb -0.12 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 69.99 1k2m s THR 579 CO 0.02 0.14 0.24 -0.76 -0.69 0.00 0.00 174.62 173.57 1k2m s LEU 580 N 1.28 4.95 -0.39 4.42 1.02 0.85 0.15 118.68 130.96 1k2m s LEU 580 Ca -0.02 -1.20 -0.01 0.00 0.02 0.00 0.00 54.13 52.92 1k2m s LEU 580 Cb -0.17 -2.02 0.11 0.00 0.02 0.00 0.00 46.19 44.12 1k2m s LEU 580 CO -0.04 -0.46 0.17 -1.59 0.02 0.00 0.00 176.35 174.44 1k2m s LYS 581 N 1.52 1.87 -0.82 1.70 -2.85 -0.31 0.24 119.74 121.09 1k2m s LYS 581 Ca 0.02 -1.83 -0.30 0.00 -1.00 0.00 0.00 55.97 52.85 1k2m s LYS 581 Cb -0.21 -3.49 -0.17 0.00 -2.06 0.00 0.00 37.83 31.90 1k2m s LYS 581 CO 0.05 -1.04 2.58 -2.30 0.10 0.00 0.00 175.35 174.74 1k2m n PRO 582 N 4.51 0.32 -1.73 1.78 -0.02 0.78 -2.38 135.00 138.25 1k2m n PRO 582 Ca -0.01 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1k2m n PRO 582 Cb 0.41 -2.06 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 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 9.70 3.27 0.60 2.45 2.34 -0.94 -2.07 118.68 134.03 1k2m s LEU 583 Ca 1.24 1.72 0.28 0.00 0.06 0.00 0.00 54.13 57.43 1k2m s LEU 583 Cb -0.96 -4.51 1.33 0.00 -0.56 0.00 0.00 46.19 41.49 1k2m s LEU 583 CO 0.44 -1.39 1.74 -0.65 -1.06 0.00 0.00 176.35 175.42 1k2m h PRO 584 N -0.29 0.00 0.00 1.48 0.11 -1.89 0.85 132.00 132.26 1k2m h PRO 584 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1k2m h PRO 584 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k2m h PRO 584 CO 0.56 0.00 -0.03 0.22 -0.21 0.00 0.00 178.00 178.55 1k2m h ASP 585 N 0.00 0.00 -3.03 -2.05 3.58 -1.91 -3.42 116.42 109.59 1k2m h ASP 585 Ca 0.27 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.18 1k2m h ASP 585 Cb 1.61 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.63 1k2m h ASP 585 CO -0.00 0.03 -0.28 -0.55 -2.88 0.00 0.00 179.24 175.55 1k2m s SER 586 N -5.72 6.43 0.64 2.28 0.15 0.29 -4.73 113.70 113.05 1k2m s SER 586 Ca -0.04 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.43 1k2m s SER 586 Cb 0.13 -2.07 1.54 0.00 -1.71 0.00 0.00 66.02 63.91 1k2m s SER 586 CO 0.50 -0.05 1.86 0.16 1.20 0.00 0.00 173.24 176.91 1k2m h ILE 587 N 1.66 0.00 -3.81 6.45 3.07 -1.05 -3.40 117.51 120.43 1k2m h ILE 587 Ca -0.47 0.00 -0.68 0.00 1.55 0.00 0.00 64.86 65.26 1k2m h ILE 587 Cb 1.18 0.63 -0.20 0.00 -0.27 0.00 0.00 36.82 38.16 1k2m h ILE 587 CO 0.69 0.00 -0.74 -0.51 -1.05 0.00 0.00 178.15 176.54 1k2m s ILE 588 N -4.04 3.29 -0.64 0.16 2.07 -1.26 -5.06 121.20 115.72 1k2m s ILE 588 Ca -0.03 -0.83 0.06 0.00 -1.41 0.00 0.00 60.65 58.43 1k2m s ILE 588 Cb 0.08 -2.38 0.27 0.00 0.13 0.00 0.00 42.46 40.57 1k2m s ILE 588 CO 0.26 0.45 0.82 0.00 -1.91 0.00 0.00 174.94 174.55 1k2m n GLN 589 N 1.82 2.75 -4.52 3.50 3.00 -1.26 -4.15 117.38 118.52 1k2m n GLN 589 Ca -0.16 -4.72 -0.24 0.00 -0.01 0.00 0.00 57.00 51.86 1k2m n GLN 589 Cb 0.52 -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 -2.73 1.80 -0.10 -1.09 2.02 -0.88 -5.01 118.70 112.72 1k2m s GLU 590 Ca 0.42 -2.02 0.01 0.00 0.02 0.00 0.00 54.97 53.40 1k2m s GLU 590 Cb 0.18 -1.14 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1k2m s GLU 590 CO -0.04 -0.17 -0.10 -1.54 0.02 0.00 0.00 175.26 173.44 1k2m s SER 591 N -3.59 2.06 -0.08 -0.19 1.04 -1.26 -0.16 113.70 111.52 1k2m s SER 591 Ca 0.34 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1k2m s SER 591 Cb 0.08 -0.86 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 1k2m s SER 591 CO 0.16 -0.05 -0.12 -0.76 0.98 0.00 0.00 173.24 173.44 1k2m s LEU 592 N 1.27 2.83 -0.18 2.42 1.43 0.66 -4.93 118.68 122.18 1k2m s LEU 592 Ca -0.03 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1k2m s LEU 592 Cb -0.14 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.51 1k2m s LEU 592 CO -0.04 0.29 -0.12 -1.61 0.23 0.00 0.00 176.35 175.10 1k2m s GLU 593 N -0.37 2.12 -0.46 1.70 8.01 -1.26 0.29 118.70 128.73 1k2m s GLU 593 Ca 0.04 -0.73 -0.28 0.00 0.01 0.00 0.00 54.97 54.01 1k2m s GLU 593 Cb -0.12 -2.29 0.01 0.00 -4.31 0.00 0.00 34.13 27.41 1k2m s GLU 593 CO 0.02 -0.36 1.45 0.42 0.01 0.00 0.00 175.26 176.80 1k2m s ILE 594 N 1.43 3.83 -0.48 -1.63 1.01 0.41 -4.92 121.20 120.84 1k2m s ILE 594 Ca 0.01 0.80 -0.27 0.00 0.00 0.00 0.00 60.65 61.19 1k2m s ILE 594 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1k2m s ILE 594 CO -0.09 -0.87 2.01 -1.10 0.00 0.00 0.00 174.94 174.89 1k2m s GLN 595 N 5.23 2.70 0.11 2.79 1.11 -1.26 -2.29 119.66 128.04 1k2m s GLN 595 Ca 0.60 1.12 -0.08 0.00 0.01 0.00 0.00 55.36 57.00 1k2m s GLN 595 Cb -0.13 -4.39 0.12 0.00 -1.01 0.00 0.00 33.01 27.60 1k2m s GLN 595 CO 0.30 -2.62 0.74 0.00 0.01 0.00 0.00 175.29 173.73 1k2m n GLN 596 N 8.93 -0.11 0.21 2.91 10.64 -1.02 0.32 117.38 139.26 1k2m n GLN 596 Ca 0.26 0.74 0.10 0.00 -1.83 0.00 0.00 57.00 56.26 1k2m n GLN 596 Cb 0.51 -1.10 0.51 0.00 -0.86 0.00 0.00 30.24 29.30 1k2m n GLN 596 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1k2m h GLY 597 N 0.00 0.00 -7.80 2.61 0.00 -1.88 -3.38 103.07 92.62 1k2m h GLY 597 Ca 0.17 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.84 1k2m h GLY 597 CO -0.48 0.00 -0.51 0.14 0.00 0.00 0.00 176.54 175.69 1k2m s VAL 598 N -3.57 5.24 -0.04 4.60 1.01 0.96 -5.06 120.40 123.54 1k2m s VAL 598 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1k2m s VAL 598 Cb 0.05 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1k2m s VAL 598 CO 0.17 0.15 0.06 0.20 0.00 0.00 0.00 175.10 175.68 1k2m s ASN 599 N 1.74 0.63 0.39 3.32 -0.87 -1.26 -4.09 114.94 114.80 1k2m s ASN 599 Ca 0.07 0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.43 1k2m s ASN 599 Cb -0.17 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.25 40.96 1k2m s ASN 599 CO 0.10 -0.20 0.64 -2.16 -2.57 0.00 0.00 177.10 172.92 1k2m s PRO 600 N 1.71 3.53 -0.34 -0.60 0.04 -1.26 -5.11 135.00 132.98 1k2m s PRO 600 Ca -0.01 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.77 1k2m s PRO 600 Cb -0.12 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1k2m s PRO 600 CO -0.03 0.02 0.51 0.12 0.04 0.00 0.00 177.00 177.65 1k2m s PHE 601 N -2.45 3.19 -0.01 0.56 5.36 0.42 -4.92 117.98 120.14 1k2m s PHE 601 Ca 0.43 0.24 -0.15 0.00 -0.96 0.00 0.00 56.93 56.49 1k2m s PHE 601 Cb -0.10 -2.88 -0.06 0.00 -0.34 0.00 0.00 43.02 39.64 1k2m s PHE 601 CO 0.39 -0.49 0.42 -0.06 -1.46 0.00 0.00 175.22 174.01 1k2m s PHE 602 N 2.37 3.70 0.04 10.12 0.40 -1.26 -0.84 117.98 132.51 1k2m s PHE 602 Ca 0.19 0.99 0.06 0.00 -0.60 0.00 0.00 56.93 57.57 1k2m s PHE 602 Cb -0.15 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 1k2m s PHE 602 CO 0.13 0.58 -0.17 0.42 0.70 0.00 0.00 175.22 176.87 1k2m s ILE 603 N -0.85 1.36 -5.00 0.64 1.09 -1.03 0.14 121.20 117.55 1k2m s ILE 603 Ca 0.24 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 1k2m s ILE 603 Cb -0.17 -1.20 0.00 0.00 -1.06 0.00 0.00 42.46 40.03 1k2m s ILE 603 CO 0.13 0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.70 1k2m n GLY 604 N 1.94 -0.78 1.38 6.18 0.00 -1.12 -1.52 105.19 111.27 1k2m n GLY 604 Ca -0.17 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.67 1k2m n GLY 604 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k2m n ARG 605 N 0.00 3.44 -3.89 1.61 1.85 -0.90 0.52 116.66 119.30 1k2m n ARG 605 Ca 0.00 -2.16 -0.35 0.00 -1.00 0.00 0.00 57.85 54.34 1k2m n ARG 605 Cb 0.00 -1.91 -0.08 0.00 -1.05 0.00 0.00 32.46 29.41 1k2m n ARG 605 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1k2m s SER 606 N -0.64 5.96 0.62 2.89 0.15 -1.12 -4.79 113.70 116.77 1k2m s SER 606 Ca 0.38 0.20 0.38 0.00 0.70 0.00 0.00 55.95 57.61 1k2m s SER 606 Cb 0.27 -2.01 2.07 0.00 -1.71 0.00 0.00 66.02 64.64 1k2m s SER 606 CO 0.14 0.22 2.27 1.05 1.20 0.00 0.00 173.24 178.12 1k2m h GLU 607 N 6.40 0.00 0.00 5.44 4.11 -1.91 0.39 114.58 129.01 1k2m h GLU 607 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1k2m h GLU 607 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1k2m h GLU 607 CO 0.71 0.02 -0.09 0.22 0.07 0.00 0.00 179.01 179.93 1k2m h ASP 608 N 0.00 0.00 -3.20 3.06 1.82 -1.93 -3.43 116.42 112.74 1k2m h ASP 608 Ca -0.00 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.09 1k2m h ASP 608 Cb 0.10 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1k2m h ASP 608 CO 0.00 0.09 0.59 0.00 -1.61 0.00 0.00 179.24 178.31 1k2m h ASN 610 N 7.11 0.09 -3.63 0.00 -0.26 -1.12 -3.36 115.58 114.41 1k2m h ASN 610 Ca -0.37 0.03 -0.68 0.00 -0.56 0.00 0.00 56.30 54.72 1k2m h ASN 610 Cb 1.18 0.02 -0.20 0.00 -1.06 0.00 0.00 38.32 38.27 1k2m h ASN 610 CO 0.83 -0.01 -0.70 0.00 -1.06 0.00 0.00 177.43 176.50 1k2m s LYS 612 N -0.66 2.71 -0.19 0.00 -0.14 -1.26 -2.81 119.74 117.39 1k2m s LYS 612 Ca 0.10 -0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 53.78 1k2m s LYS 612 Cb -0.11 -2.56 0.06 0.00 -1.68 0.00 0.00 37.83 33.54 1k2m s LYS 612 CO 0.02 -0.29 0.08 0.42 -0.76 0.00 0.00 175.35 174.81 1k2m s ILE 613 N 1.29 0.13 -0.68 2.17 -1.09 0.18 -4.96 121.20 118.24 1k2m s ILE 613 Ca 0.02 -0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 57.81 1k2m s ILE 613 Cb -0.14 -0.78 0.04 0.00 -1.58 0.00 0.00 42.46 40.00 1k2m s ILE 613 CO -0.11 -0.31 1.13 -1.61 -1.23 0.00 0.00 174.94 172.81 1k2m s GLU 614 N 2.03 3.20 -0.16 2.79 0.41 -1.26 -2.11 118.70 123.60 1k2m s GLU 614 Ca 0.02 -0.40 -0.02 0.00 -0.41 0.00 0.00 54.97 54.16 1k2m s GLU 614 Cb -0.16 -4.17 0.05 0.00 -1.78 0.00 0.00 34.13 28.07 1k2m s GLU 614 CO -0.12 -1.93 0.01 -0.51 -0.49 0.00 0.00 175.26 172.22 1k2m s ASP 615 N 3.57 2.61 0.23 -0.19 1.01 -1.26 -5.03 116.67 117.61 1k2m s ASP 615 Ca 0.31 -0.63 -0.06 0.00 0.71 0.00 0.00 52.55 52.88 1k2m s ASP 615 Cb -0.11 -0.63 0.41 0.00 1.01 0.00 0.00 42.92 43.59 1k2m s ASP 615 CO 0.15 -0.25 1.70 -0.55 0.21 0.00 0.00 175.17 176.42 1k2m h ASN 616 N 8.23 0.06 0.25 0.27 7.08 -2.01 0.83 115.58 130.30 1k2m h ASN 616 Ca -0.19 0.13 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 1k2m h ASN 616 Cb 1.12 0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1k2m h ASN 616 CO 0.33 0.00 0.00 0.03 -2.08 0.00 0.00 177.43 175.72 1k2m h ARG 617 N 0.30 0.00 -6.90 4.14 -0.00 -2.00 -3.42 114.38 106.49 1k2m h ARG 617 Ca 0.38 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 59.38 1k2m h ARG 617 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.62 1k2m h ARG 617 CO -0.46 0.00 0.08 -0.51 0.00 0.00 0.00 179.97 179.08 1k2m s LEU 618 N -5.86 3.62 0.16 3.04 1.02 0.29 -4.81 118.68 116.14 1k2m s LEU 618 Ca -0.03 0.82 0.07 0.00 0.02 0.00 0.00 54.13 55.01 1k2m s LEU 618 Cb 0.11 -3.75 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 1k2m s LEU 618 CO 0.41 -0.62 0.01 -0.44 0.02 0.00 0.00 176.35 175.74 1k2m s SER 619 N -4.13 4.90 0.26 2.29 0.01 -1.26 -4.83 113.70 110.94 1k2m s SER 619 Ca 0.47 -0.33 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 1k2m s SER 619 Cb -0.10 -1.09 0.40 0.00 0.21 0.00 0.00 66.02 65.44 1k2m s SER 619 CO 0.44 0.10 1.48 -2.11 0.41 0.00 0.00 173.24 173.56 1k2m n ARG 620 N -0.01 -0.11 -2.66 12.44 1.85 -1.26 0.23 116.66 127.15 1k2m n ARG 620 Ca -0.10 1.48 -0.33 0.00 -1.00 0.00 0.00 57.85 57.90 1k2m n ARG 620 Cb 0.54 -2.21 -0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1k2m n ARG 620 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1k2m n VAL 621 N -5.53 4.11 -0.29 8.89 0.31 -1.26 -2.80 118.33 121.76 1k2m n VAL 621 Ca 0.14 -5.49 0.14 0.00 -0.01 0.00 0.00 64.34 59.12 1k2m n VAL 621 Cb 0.46 -1.42 0.39 0.00 -0.91 0.00 0.00 33.84 32.36 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 3.36 0.84 -4.07 3.52 2.76 0.40 -3.36 115.15 118.59 1k2m h HIS 622 Ca 0.35 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.31 1k2m h HIS 622 Cb 0.44 -0.26 -0.09 0.00 1.55 0.00 0.00 27.41 29.05 1k2m h HIS 622 CO 1.05 0.25 -0.21 0.00 -1.30 0.00 0.00 177.93 177.72 1k2m s PHE 624 N -3.34 -0.19 -0.13 0.00 2.19 0.55 -2.48 117.98 114.58 1k2m s PHE 624 Ca 0.30 0.52 -0.01 0.00 0.33 0.00 0.00 56.93 58.07 1k2m s PHE 624 Cb 0.00 -0.03 0.04 0.00 -1.31 0.00 0.00 43.02 41.71 1k2m s PHE 624 CO 0.17 -0.16 -0.03 0.42 1.83 0.00 0.00 175.22 177.45 1k2m s ILE 625 N 0.98 0.80 0.03 3.12 1.01 -0.02 0.34 121.20 127.46 1k2m s ILE 625 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1k2m s ILE 625 Cb -0.09 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1k2m s ILE 625 CO -0.05 0.17 -0.07 0.12 0.00 0.00 0.00 174.94 175.12 1k2m s PHE 626 N 1.78 0.57 -0.13 3.97 2.19 0.34 -0.43 117.98 126.26 1k2m s PHE 626 Ca 0.03 -0.46 -0.09 0.00 0.33 0.00 0.00 56.93 56.73 1k2m s PHE 626 Cb -0.14 -0.35 -0.04 0.00 -1.31 0.00 0.00 43.02 41.18 1k2m s PHE 626 CO -0.07 -0.10 0.18 0.21 1.83 0.00 0.00 175.22 177.27 1k2m s LYS 627 N -1.41 3.74 0.17 10.12 2.20 -1.26 0.10 119.74 133.40 1k2m s LYS 627 Ca -0.10 -0.07 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 1k2m s LYS 627 Cb -0.09 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1k2m s LYS 627 CO 0.00 0.61 -0.12 0.21 -0.36 0.00 0.00 175.35 175.69 1k2m s LYS 628 N -0.57 1.16 -0.35 4.03 2.20 0.33 -4.91 119.74 121.63 1k2m s LYS 628 Ca 0.14 -1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 53.97 1k2m s LYS 628 Cb -0.12 -0.82 0.01 0.00 -1.51 0.00 0.00 37.83 35.38 1k2m s LYS 628 CO 0.04 0.12 1.34 0.50 -0.36 0.00 0.00 175.35 176.99 1k2m s ARG 629 N -3.67 3.77 0.01 4.03 6.06 -1.26 0.20 118.95 128.09 1k2m s ARG 629 Ca 0.19 1.09 -0.30 0.00 -2.50 0.00 0.00 55.73 54.20 1k2m s ARG 629 Cb 0.01 -3.94 -0.04 0.00 0.06 0.00 0.00 34.95 31.04 1k2m s ARG 629 CO 0.03 -1.32 1.12 -1.58 -2.50 0.00 0.00 175.30 171.05 1k2m s HIS 630 N 4.81 3.47 -0.22 5.12 5.65 0.50 -4.86 115.29 129.75 1k2m s HIS 630 Ca 0.58 1.43 -0.28 0.00 0.25 0.00 0.00 55.06 57.03 1k2m s HIS 630 Cb -0.15 -3.31 0.14 0.00 -1.18 0.00 0.00 32.58 28.08 1k2m s HIS 630 CO 0.27 -0.83 1.11 0.00 -0.65 0.00 0.00 174.74 174.65 1k2m s ALA 631 N 1.29 -2.00 -0.28 1.58 0.00 -1.26 -2.67 121.76 118.41 1k2m s ALA 631 Ca 0.56 1.72 0.01 0.00 0.00 0.00 0.00 51.96 54.24 1k2m s ALA 631 Cb -0.25 -1.13 0.08 0.00 0.00 0.00 0.00 23.12 21.82 1k2m s ALA 631 CO 0.27 -0.26 0.01 0.14 0.00 0.00 0.00 175.76 175.92 1k2m s VAL 632 N -0.68 1.60 0.00 0.00 -7.23 -1.26 -5.07 120.40 107.76 1k2m s VAL 632 Ca 0.02 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1k2m s VAL 632 Cb -0.02 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1k2m s VAL 632 CO -0.04 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1k2m n GLY 633 N 4.59 2.75 3.12 2.32 0.00 -1.26 -4.52 105.19 112.19 1k2m n GLY 633 Ca -0.05 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1k2m n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2m s LYS 634 N 0.00 0.92 -0.84 1.61 -0.14 -1.26 -5.07 119.74 114.96 1k2m s LYS 634 Ca 0.00 -0.67 -0.25 0.00 -1.36 0.00 0.00 55.97 53.69 1k2m s LYS 634 Cb 0.00 -0.91 -0.07 0.00 -1.68 0.00 0.00 37.83 35.17 1k2m s LYS 634 CO 0.00 0.23 2.06 -1.54 -0.76 0.00 0.00 175.35 175.34 1k2m s SER 635 N -0.93 4.84 -0.32 2.83 1.04 -1.26 -4.89 113.70 115.01 1k2m s SER 635 Ca 0.02 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1k2m s SER 635 Cb -0.07 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.58 1k2m s SER 635 CO 0.01 -2.98 0.01 -0.32 0.98 0.00 0.00 173.24 170.93 1k2m s MET 636 N 7.48 1.74 0.00 4.02 1.75 -1.26 -4.84 119.30 128.18 1k2m s MET 636 Ca 0.76 -1.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 1k2m s MET 636 Cb -0.09 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.45 1k2m s MET 636 CO 0.04 -0.83 0.00 0.66 -0.65 0.00 0.00 175.02 174.23 1k2m n TYR 637 N 4.32 0.00 -2.58 4.11 4.01 -1.26 -4.92 117.16 120.85 1k2m n TYR 637 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1k2m n TYR 637 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 1k2m n TYR 637 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1k2m s GLU 638 N 0.00 4.37 -0.46 -0.72 -1.05 -1.26 -5.02 118.70 114.55 1k2m s GLU 638 Ca 0.00 1.54 -0.11 0.00 -0.15 0.00 0.00 54.97 56.25 1k2m s GLU 638 Cb 0.00 -2.76 0.10 0.00 -0.44 0.00 0.00 34.13 31.03 1k2m s GLU 638 CO 0.00 0.04 0.35 -1.12 0.95 0.00 0.00 175.26 175.47 1k2m s SER 639 N -1.41 5.84 0.27 0.83 0.01 -1.26 -4.80 113.70 113.18 1k2m s SER 639 Ca 0.53 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1k2m s SER 639 Cb -0.24 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1k2m s SER 639 CO 0.30 -0.66 0.00 -0.81 0.41 0.00 0.00 173.24 172.48 1k2m n PRO 640 N 5.02 1.17 -1.05 12.44 -0.04 -1.26 -4.98 135.00 146.31 1k2m n PRO 640 Ca -0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 1k2m n PRO 640 Cb 0.42 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.04 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 5.12 -0.78 0.55 0.00 -1.26 -5.04 120.51 116.10 1k2m n ALA 641 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1k2m n ALA 641 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1k2m n ALA 641 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1k2m n GLN 642 N -0.87 0.00 -3.56 0.00 -0.06 -1.26 -4.39 117.38 107.24 1k2m n GLN 642 Ca 0.51 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 55.11 1k2m n GLN 642 Cb 1.50 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 27.62 1k2m n GLN 642 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1k2m s GLY 643 N -3.92 2.85 0.00 1.69 0.00 -1.26 -4.64 107.32 102.04 1k2m s GLY 643 Ca 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 44.72 41.14 1k2m s GLY 643 CO 0.00 1.20 0.00 1.04 0.00 0.00 0.00 173.10 175.34 1k2m n LEU 644 N 3.04 0.00 -4.52 0.66 4.32 -1.09 -4.89 117.00 114.52 1k2m n LEU 644 Ca 0.16 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.85 1k2m n LEU 644 Cb 0.40 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.08 1k2m n LEU 644 CO 0.36 -0.08 -0.45 -1.81 -1.22 0.00 0.00 177.39 174.20 1k2m s ASP 645 N -0.29 4.15 0.19 -1.43 1.01 -0.73 0.19 116.67 119.76 1k2m s ASP 645 Ca 0.00 -0.36 0.06 0.00 0.71 0.00 0.00 52.55 52.96 1k2m s ASP 645 Cb 0.00 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 43.11 1k2m s ASP 645 CO 0.00 0.24 -0.11 -1.81 0.21 0.00 0.00 175.17 173.69 1k2m s ASP 646 N -1.68 2.23 -0.20 0.27 1.01 0.54 -3.03 116.67 115.80 1k2m s ASP 646 Ca 0.17 -1.04 -0.08 0.00 0.71 0.00 0.00 52.55 52.31 1k2m s ASP 646 Cb -0.11 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1k2m s ASP 646 CO 0.08 -0.26 0.08 0.27 0.21 0.00 0.00 175.17 175.55 1k2m s ILE 647 N -3.14 4.84 -0.21 0.77 -4.36 -1.26 0.12 121.20 117.95 1k2m s ILE 647 Ca 0.21 -0.01 -0.03 0.00 -0.26 0.00 0.00 60.65 60.56 1k2m s ILE 647 Cb 0.01 -3.20 -0.01 0.00 1.25 0.00 0.00 42.46 40.52 1k2m s ILE 647 CO 0.05 0.43 -0.07 0.26 0.24 0.00 0.00 174.94 175.85 1k2m s TRP 648 N 0.58 2.93 -0.30 1.37 0.52 0.29 -0.01 118.94 124.32 1k2m s TRP 648 Ca 0.04 -1.01 -0.17 0.00 0.02 0.00 0.00 56.10 54.98 1k2m s TRP 648 Cb -0.13 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 1k2m s TRP 648 CO 0.01 -0.56 0.49 -0.47 0.02 0.00 0.00 176.95 176.43 1k2m s TYR 649 N 1.40 3.22 0.01 -1.98 5.04 0.39 -0.51 117.35 124.94 1k2m s TYR 649 Ca 0.05 0.39 0.05 0.00 -2.44 0.00 0.00 57.07 55.12 1k2m s TYR 649 Cb -0.14 -2.78 -0.03 0.00 0.35 0.00 0.00 41.96 39.36 1k2m s TYR 649 CO -0.04 -0.38 -0.13 0.00 -1.34 0.00 0.00 175.55 173.65 1k2m s HIS 651 N -0.92 2.96 0.00 0.00 2.46 -0.42 0.21 115.29 119.58 1k2m s HIS 651 Ca 0.15 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1k2m s HIS 651 Cb -0.11 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.42 1k2m s HIS 651 CO 0.05 -0.08 0.68 0.25 -2.47 0.00 0.00 174.74 173.17 1k2m n THR 652 N 3.50 0.37 -2.88 0.89 -2.24 -1.07 0.12 114.28 112.97 1k2m n THR 652 Ca -0.18 -0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 1k2m n THR 652 Cb 0.53 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.37 2.63 0.27 3.38 0.00 0.36 -4.80 107.32 108.79 1k2m s GLY 653 Ca 0.00 0.38 0.26 0.00 0.00 0.00 0.00 44.72 45.36 1k2m s GLY 653 CO 0.00 0.75 1.76 -0.84 0.00 0.00 0.00 173.10 174.77 1k2m h THR 654 N 2.41 0.00 -0.06 0.90 2.02 -1.94 -2.99 112.91 113.25 1k2m h THR 654 Ca -0.48 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1k2m h THR 654 Cb 1.19 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1k2m h THR 654 CO 0.64 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.12 1k2m n ASN 655 N -2.40 0.86 -1.76 4.18 3.02 -1.26 -4.89 115.26 113.00 1k2m n ASN 655 Ca 0.04 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1k2m n ASN 655 Cb 0.36 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1k2m n VAL 656 N -0.25 -3.66 -3.29 2.41 3.14 -1.13 -4.83 118.33 110.72 1k2m n VAL 656 Ca 0.17 1.58 -0.19 0.00 -2.96 0.00 0.00 64.34 62.94 1k2m n VAL 656 Cb 0.21 -2.09 0.00 0.00 -1.06 0.00 0.00 33.84 30.90 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1k2m s SER 657 N -1.49 5.86 -0.12 6.55 1.04 0.61 -4.67 113.70 121.49 1k2m s SER 657 Ca 0.00 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.22 1k2m s SER 657 Cb 0.00 -1.10 0.02 0.00 0.10 0.00 0.00 66.02 65.05 1k2m s SER 657 CO 0.00 -0.56 -0.08 -0.31 0.98 0.00 0.00 173.24 173.27 1k2m s TYR 658 N -2.26 1.52 -0.52 5.02 1.51 0.38 0.37 117.35 123.38 1k2m s TYR 658 Ca 0.48 -0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 1k2m s TYR 658 Cb -0.10 -1.25 0.10 0.00 -0.11 0.00 0.00 41.96 40.60 1k2m s TYR 658 CO 0.32 -0.52 0.50 -1.17 -1.11 0.00 0.00 175.55 173.57 1k2m s LEU 659 N 1.69 5.73 0.00 -1.29 2.96 -0.01 0.22 118.68 127.99 1k2m s LEU 659 Ca 0.05 -1.47 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 1k2m s LEU 659 Cb -0.13 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1k2m s LEU 659 CO -0.08 -0.82 0.00 -3.20 -1.32 0.00 0.00 176.35 170.93 1k2m n ASN 660 N 5.48 0.00 0.00 3.68 2.85 -0.95 -0.40 115.26 125.91 1k2m n ASN 660 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1k2m n ASN 660 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1k2m n ASN 660 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1k2m n ASN 661 N 1.37 0.25 -4.66 1.20 0.23 -1.26 -5.04 115.26 107.35 1k2m n ASN 661 Ca 0.00 -1.09 -0.35 0.00 -0.53 0.00 0.00 54.58 52.61 1k2m n ASN 661 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 1k2m n ASN 661 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1k2m s ASN 662 N -0.09 5.14 0.29 0.53 3.04 0.46 -5.10 114.94 119.22 1k2m s ASN 662 Ca 0.00 0.12 -0.28 0.00 0.04 0.00 0.00 52.86 52.73 1k2m s ASN 662 Cb 0.00 -1.44 -0.09 0.00 -1.54 0.00 0.00 41.25 38.18 1k2m s ASN 662 CO 0.00 0.37 1.04 -0.60 -3.04 0.00 0.00 177.10 174.87 1k2m s ARG 663 N -0.84 4.61 -0.37 0.43 3.52 -1.26 -0.83 118.95 124.21 1k2m s ARG 663 Ca 0.13 1.64 0.02 0.00 -0.13 0.00 0.00 55.73 57.39 1k2m s ARG 663 Cb -0.11 -3.07 0.11 0.00 -1.56 0.00 0.00 34.95 30.31 1k2m s ARG 663 CO 0.02 0.24 0.11 -1.64 -0.81 0.00 0.00 175.30 173.22 1k2m s MET 664 N -1.60 1.30 0.34 5.12 -1.94 0.16 -4.84 119.30 117.83 1k2m s MET 664 Ca 0.46 -1.76 -0.11 0.00 -1.71 0.00 0.00 55.69 52.57 1k2m s MET 664 Cb -0.28 -2.77 -0.07 0.00 2.01 0.00 0.00 34.83 33.72 1k2m s MET 664 CO 0.35 -1.00 0.70 0.96 -0.01 0.00 0.00 175.02 176.01 1k2m s ILE 665 N 0.88 4.81 -0.35 2.53 -4.36 -1.26 -0.28 121.20 123.16 1k2m s ILE 665 Ca 0.12 0.63 -0.38 0.00 -0.26 0.00 0.00 60.65 60.76 1k2m s ILE 665 Cb -0.20 -3.67 -0.13 0.00 1.25 0.00 0.00 42.46 39.70 1k2m s ILE 665 CO -0.11 -0.32 2.09 1.67 0.24 0.00 0.00 174.94 178.52 1k2m n GLN 666 N -0.77 0.94 0.00 0.37 7.27 -1.25 -1.68 117.38 122.25 1k2m n GLN 666 Ca 0.02 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1k2m n GLN 666 Cb 0.53 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.94 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 6.24 1.77 3.49 1.69 0.00 0.32 -4.95 105.19 113.74 1k2m n GLY 667 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 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 2.24 0.04 2.61 -4.23 -0.68 0.48 115.64 114.10 1k2m s THR 668 Ca 0.00 -2.28 0.03 0.00 -1.18 0.00 0.00 61.69 58.26 1k2m s THR 668 Cb 0.00 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1k2m s THR 668 CO 0.00 -0.32 -0.10 -0.75 -0.54 0.00 0.00 174.62 172.91 1k2m s LYS 669 N -3.58 0.66 -0.06 3.99 2.20 0.26 -1.30 119.74 121.91 1k2m s LYS 669 Ca 0.30 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 1k2m s LYS 669 Cb -0.01 -0.55 0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1k2m s LYS 669 CO 0.15 0.12 0.27 0.12 -0.36 0.00 0.00 175.35 175.65 1k2m s PHE 670 N -1.08 -0.21 0.19 4.03 5.36 0.18 0.16 117.98 126.60 1k2m s PHE 670 Ca -0.04 0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 56.08 1k2m s PHE 670 Cb -0.09 0.08 -0.09 0.00 -0.34 0.00 0.00 43.02 42.58 1k2m s PHE 670 CO 0.01 -0.25 1.34 -1.17 -1.46 0.00 0.00 175.22 173.69 1k2m s LEU 671 N -0.56 4.40 -0.40 6.12 1.98 -1.26 0.15 118.68 129.12 1k2m s LEU 671 Ca -0.07 2.42 -0.07 0.00 -2.89 0.00 0.00 54.13 53.52 1k2m s LEU 671 Cb -0.04 -3.61 0.08 0.00 0.66 0.00 0.00 46.19 43.28 1k2m s LEU 671 CO 0.02 -0.57 0.21 -0.76 -1.89 0.00 0.00 176.35 173.36 1k2m s LEU 672 N 0.06 5.00 0.02 -0.68 1.43 0.98 -4.82 118.68 120.68 1k2m s LEU 672 Ca 0.58 -1.56 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 1k2m s LEU 672 Cb -0.37 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 1k2m s LEU 672 CO 0.37 -0.50 0.49 -1.10 0.23 0.00 0.00 176.35 175.84 1k2m s GLN 673 N 1.35 4.08 -0.48 1.70 -0.21 -1.26 -4.48 119.66 120.36 1k2m s GLN 673 Ca 0.03 0.57 -0.44 0.00 0.02 0.00 0.00 55.36 55.54 1k2m s GLN 673 Cb -0.22 -3.24 -0.18 0.00 1.00 0.00 0.00 33.01 30.36 1k2m s GLN 673 CO 0.01 0.63 2.02 -3.47 -2.12 0.00 0.00 175.29 172.36 1k2m n ASP 674 N 1.91 1.03 -0.03 5.90 2.03 0.76 -0.99 116.55 127.16 1k2m n ASP 674 Ca -0.12 0.77 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1k2m n ASP 674 Cb 0.52 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 6.58 1.25 3.57 0.27 0.00 0.31 -4.89 105.19 112.28 1k2m n GLY 675 Ca 0.48 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1k2m n GLY 675 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2m s ASP 676 N -2.09 6.32 -0.44 1.61 1.11 -0.16 -4.77 116.67 118.25 1k2m s ASP 676 Ca 0.00 0.07 -0.18 0.00 0.18 0.00 0.00 52.55 52.63 1k2m s ASP 676 Cb 0.00 -2.26 0.03 0.00 1.07 0.00 0.00 42.92 41.76 1k2m s ASP 676 CO 0.00 -0.42 0.48 -1.61 1.18 0.00 0.00 175.17 174.80 1k2m s GLU 677 N 2.34 3.10 -0.17 8.23 8.01 -1.26 0.16 118.70 139.10 1k2m s GLU 677 Ca 0.18 -0.82 -0.06 0.00 0.01 0.00 0.00 54.97 54.29 1k2m s GLU 677 Cb -0.16 -4.01 -0.03 0.00 -4.31 0.00 0.00 34.13 25.62 1k2m s GLU 677 CO 0.12 -0.95 0.02 0.96 0.01 0.00 0.00 175.26 175.43 1k2m s ILE 678 N 2.22 4.41 -0.33 -1.63 -4.36 0.14 -2.25 121.20 119.40 1k2m s ILE 678 Ca 0.13 -0.17 -0.21 0.00 -0.26 0.00 0.00 60.65 60.13 1k2m s ILE 678 Cb -0.18 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.56 1k2m s ILE 678 CO 0.13 0.47 0.68 -0.54 0.24 0.00 0.00 174.94 175.92 1k2m s LYS 679 N 0.43 3.80 0.08 0.37 1.02 0.61 -0.39 119.74 125.65 1k2m s LYS 679 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 1k2m s LYS 679 Cb -0.13 -3.77 -0.25 0.00 -0.52 0.00 0.00 37.83 33.15 1k2m s LYS 679 CO 0.01 -0.70 1.16 0.82 -0.92 0.00 0.00 175.35 175.72 1k2m h ILE 680 N 5.64 1.47 -2.39 2.17 2.04 -1.75 1.10 117.51 125.79 1k2m h ILE 680 Ca -0.26 -2.93 -0.06 0.00 1.00 0.00 0.00 64.86 62.61 1k2m h ILE 680 Cb 1.11 2.86 -0.24 0.00 -0.74 0.00 0.00 36.82 39.81 1k2m h ILE 680 CO 0.85 0.86 -0.15 -0.63 0.00 0.00 0.00 178.15 179.07 1k2m s ILE 681 N -2.76 -0.01 -0.05 -0.67 1.01 -1.24 -4.22 121.20 113.25 1k2m s ILE 681 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1k2m s ILE 681 Cb 0.07 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1k2m s ILE 681 CO 0.89 0.02 0.00 0.86 0.00 0.00 0.00 174.94 176.71 1k2m s TRP 682 N 1.31 0.53 -0.19 3.97 -0.00 -1.21 0.17 118.94 123.51 1k2m s TRP 682 Ca -0.08 -0.09 0.01 0.00 -0.00 0.00 0.00 56.10 55.94 1k2m s TRP 682 Cb -0.06 -0.66 0.03 0.00 -0.00 0.00 0.00 33.47 32.78 1k2m s TRP 682 CO -0.13 -0.25 -0.15 0.34 -0.00 0.00 0.00 176.95 176.75 1k2m s ASP 683 N 1.64 3.38 0.06 5.86 -1.08 0.25 -4.93 116.67 121.86 1k2m s ASP 683 Ca -0.00 -0.82 -0.20 0.00 -0.52 0.00 0.00 52.55 51.01 1k2m s ASP 683 Cb -0.13 -1.40 -0.11 0.00 -1.46 0.00 0.00 42.92 39.82 1k2m s ASP 683 CO -0.03 -0.07 1.47 0.11 0.52 0.00 0.00 175.17 177.16 1k2m h LYS 684 N 7.93 0.36 0.25 4.34 1.57 -1.94 0.76 116.57 129.84 1k2m h LYS 684 Ca -0.36 -0.13 -0.34 0.00 -1.87 0.00 0.00 60.65 57.95 1k2m h LYS 684 Cb 1.11 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.43 1k2m h LYS 684 CO 0.56 0.60 -1.52 -2.95 -0.57 0.00 0.00 179.45 175.56 1k2m h ASN 685 N 0.09 0.81 1.13 0.86 -1.07 -1.99 -3.30 115.58 112.12 1k2m h ASN 685 Ca 0.05 -0.92 0.00 0.00 0.07 0.00 0.00 56.30 55.50 1k2m h ASN 685 Cb 0.46 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1k2m h ASN 685 CO 0.02 1.73 -0.20 -3.20 0.07 0.00 0.00 177.43 175.84 1k2m n ASN 686 N -3.71 0.59 -1.08 6.14 5.15 -1.24 -4.91 115.26 116.20 1k2m n ASN 686 Ca -0.18 0.37 -0.14 0.00 -0.60 0.00 0.00 54.58 54.02 1k2m n ASN 686 Cb 1.10 -0.40 -0.06 0.00 -0.53 0.00 0.00 39.78 39.89 1k2m n ASN 686 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1k2m n LYS 687 N -1.99 -1.53 -2.43 1.20 4.01 0.26 -4.90 118.16 112.79 1k2m n LYS 687 Ca 0.05 0.99 -0.42 0.00 -0.51 0.00 0.00 58.31 58.43 1k2m n LYS 687 Cb 0.40 -5.36 -0.03 0.00 -0.51 0.00 0.00 35.03 29.54 1k2m n LYS 687 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1k2m s PHE 688 N -2.25 2.31 -0.16 2.13 5.36 -1.08 -4.78 117.98 119.51 1k2m s PHE 688 Ca 0.00 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1k2m s PHE 688 Cb 0.00 -4.43 0.00 0.00 -0.34 0.00 0.00 43.02 38.26 1k2m s PHE 688 CO 0.00 -1.94 -0.17 0.54 -1.46 0.00 0.00 175.22 172.19 1k2m s VAL 689 N 5.94 2.48 0.14 3.12 0.11 -1.25 0.88 120.40 131.81 1k2m s VAL 689 Ca 0.50 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 1k2m s VAL 689 Cb -0.10 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1k2m s VAL 689 CO 0.24 0.52 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.76 1k2m s ILE 690 N 0.91 1.39 0.00 7.04 1.01 0.45 -0.51 121.20 131.49 1k2m s ILE 690 Ca -0.04 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.78 1k2m s ILE 690 Cb -0.15 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1k2m s ILE 690 CO -0.02 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.05 1k2m n GLY 691 N 0.31 2.30 3.54 6.18 0.00 -1.26 -2.53 105.19 113.74 1k2m n GLY 691 Ca -0.14 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1k2m n GLY 691 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k2m s PHE 692 N -0.63 2.66 -0.30 1.61 0.08 0.47 -2.21 117.98 119.66 1k2m s PHE 692 Ca 0.00 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 1k2m s PHE 692 Cb 0.00 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 1k2m s PHE 692 CO 0.00 0.41 0.18 0.21 -0.10 0.00 0.00 175.22 175.92 1k2m s LYS 693 N -2.16 3.63 -0.12 0.44 2.36 -1.00 -0.69 119.74 122.20 1k2m s LYS 693 Ca 0.20 -0.53 -0.29 0.00 -2.55 0.00 0.00 55.97 52.79 1k2m s LYS 693 Cb -0.11 -3.64 -0.01 0.00 -1.05 0.00 0.00 37.83 33.03 1k2m s LYS 693 CO 0.12 -0.31 1.01 0.08 1.55 0.00 0.00 175.35 177.80 1k2m s VAL 694 N 1.69 4.78 -0.20 4.02 1.01 0.41 -1.16 120.40 130.95 1k2m s VAL 694 Ca 0.06 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 64.06 1k2m s VAL 694 Cb -0.17 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.96 1k2m s VAL 694 CO 0.09 -0.01 0.02 -0.70 0.00 0.00 0.00 175.10 174.50 1k2m s GLU 695 N 2.11 0.80 -0.56 2.72 2.12 0.40 0.12 118.70 126.39 1k2m s GLU 695 Ca 0.48 -0.53 -0.28 0.00 0.36 0.00 0.00 54.97 55.00 1k2m s GLU 695 Cb -0.18 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 32.05 1k2m s GLU 695 CO 0.17 -0.65 1.29 0.42 -0.54 0.00 0.00 175.26 175.96 1k2m s ILE 696 N 1.78 3.92 -0.16 -3.70 1.01 -1.26 -0.27 121.20 122.53 1k2m s ILE 696 Ca -0.01 0.82 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 1k2m s ILE 696 Cb -0.17 -4.58 -0.23 0.00 0.01 0.00 0.00 42.46 37.48 1k2m s ILE 696 CO -0.08 -1.23 0.31 0.78 0.00 0.00 0.00 174.94 174.72 1k2m h ASN 697 N 10.20 0.23 -3.62 3.58 -0.26 -1.35 -3.47 115.58 120.89 1k2m h ASN 697 Ca -0.26 -0.75 -0.68 0.00 -0.56 0.00 0.00 56.30 54.05 1k2m h ASN 697 Cb 1.07 -0.08 -0.18 0.00 -1.06 0.00 0.00 38.32 38.08 1k2m h ASN 697 CO 1.18 1.68 -0.69 -0.62 -1.06 0.00 0.00 177.43 177.92 1k2m s ASP 698 N -6.97 4.68 -0.41 5.81 2.15 -1.04 -5.05 116.67 115.83 1k2m s ASP 698 Ca -0.25 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 52.64 1k2m s ASP 698 Cb 0.06 -1.15 0.11 0.00 -0.30 0.00 0.00 42.92 41.64 1k2m s ASP 698 CO 0.69 0.33 0.21 0.42 -0.17 0.00 0.00 175.17 176.65 1k2m s THR 699 N -0.90 3.30 -1.38 1.71 -4.23 -1.26 -4.63 115.64 108.25 1k2m s THR 699 Ca 0.15 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1k2m s THR 699 Cb -0.11 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 1k2m s THR 699 CO 0.04 -0.70 2.87 0.41 -0.54 0.00 0.00 174.62 176.71 1k2m n THR 700 N 4.59 4.42 -2.47 3.99 -1.04 -1.26 -4.37 114.28 118.13 1k2m n THR 700 Ca -0.02 -2.94 0.00 0.00 -2.04 0.00 0.00 64.05 59.05 1k2m n THR 700 Cb 0.41 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k2m n GLY 701 N 2.94 0.93 3.73 3.41 0.00 -1.26 -4.83 105.19 110.12 1k2m n GLY 701 Ca 0.71 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 4.48 0.48 0.99 2.01 -1.26 -1.77 118.68 122.56 1k2m s LEU 702 Ca 0.00 1.74 0.35 0.00 0.01 0.00 0.00 54.13 56.23 1k2m s LEU 702 Cb 0.00 -3.54 1.49 0.00 0.01 0.00 0.00 46.19 44.15 1k2m s LEU 702 CO 0.00 -0.07 1.66 2.19 1.01 0.00 0.00 176.35 181.14 1k2m h PHE 703 N 5.66 0.32 0.00 0.29 -0.00 -1.84 -3.38 116.94 118.00 1k2m h PHE 703 Ca -0.43 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.55 1k2m h PHE 703 Cb 1.21 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1k2m h PHE 703 CO 0.65 -0.09 0.00 -1.71 -0.00 0.00 0.00 178.31 177.16 1k2m n ASN 704 N -4.41 -1.70 0.00 -0.68 5.15 -1.26 -4.97 115.26 107.39 1k2m n ASN 704 Ca 0.36 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 1k2m n ASN 704 Cb 1.49 1.72 0.00 0.00 -0.53 0.00 0.00 39.78 42.46 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 -3.38 0.00 -2.38 1.20 0.28 -1.26 -4.98 120.64 110.12 1k2m n GLU 705 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 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 -0.94 0.00 -1.84 0.00 -1.26 -2.87 105.19 98.27 1k2m n GLY 706 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.02 0.73 0.00 0.99 7.99 -1.26 0.27 117.00 124.70 1k2m n LEU 707 Ca 0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 1k2m n LEU 707 Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1k2m n LEU 707 CO 0.30 0.18 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 1k2m n GLY 708 N 1.37 1.20 6.77 -0.72 0.00 -1.26 -4.98 105.19 107.57 1k2m n GLY 708 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1k2m n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2m n MET 709 N 0.00 0.00 -0.16 1.61 0.00 -1.26 -4.97 117.12 112.35 1k2m n MET 709 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1k2m n MET 709 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 1k2m n MET 709 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1k2m n LEU 710 N 0.00 -0.11 0.12 3.17 0.00 -1.26 -4.75 117.00 114.17 1k2m n LEU 710 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 56.20 1k2m n LEU 710 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 43.42 43.01 1k2m n LEU 710 CO 0.00 -0.25 0.51 1.56 0.00 0.00 0.00 177.39 179.21 1k2m h GLN 711 N -0.15 -0.35 -6.42 1.96 4.20 -2.08 -3.41 115.11 108.86 1k2m h GLN 711 Ca -0.02 0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1k2m h GLN 711 Cb 0.15 0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.03 1k2m h GLN 711 CO 0.01 -0.23 1.06 -1.21 -0.67 0.00 0.00 178.83 177.79 1k2m s GLU 712 N -3.92 4.18 -0.71 1.46 8.01 -1.26 -4.92 118.70 121.53 1k2m s GLU 712 Ca -0.06 2.40 -0.25 0.00 0.01 0.00 0.00 54.97 57.07 1k2m s GLU 712 Cb 0.01 -3.72 0.04 0.00 -4.31 0.00 0.00 34.13 26.15 1k2m s GLU 712 CO 0.19 -0.80 1.17 -0.65 0.01 0.00 0.00 175.26 175.18 1k2m s GLN 713 N 3.08 3.16 -0.04 1.61 1.11 -1.26 -4.58 119.66 122.75 1k2m s GLN 713 Ca 0.77 -0.45 -0.02 0.00 0.01 0.00 0.00 55.36 55.68 1k2m s GLN 713 Cb -0.40 -4.20 0.00 0.00 -1.01 0.00 0.00 33.01 27.40 1k2m s GLN 713 CO 0.34 -2.03 0.03 0.54 0.01 0.00 0.00 175.29 174.17 1k2m n ARG 714 N 8.79 -0.55 -4.75 2.91 5.12 -1.26 -5.00 116.66 121.92 1k2m n ARG 714 Ca 0.01 0.94 -0.26 0.00 -1.93 0.00 0.00 57.85 56.60 1k2m n ARG 714 Cb 0.48 -1.34 -0.14 0.00 -1.16 0.00 0.00 32.46 30.29 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 -1.07 1.66 -0.21 1.55 -7.23 -1.26 -4.94 120.40 108.90 1k2m s VAL 715 Ca 0.02 -1.11 -0.24 0.00 -1.81 0.00 0.00 61.98 58.83 1k2m s VAL 715 Cb -0.00 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1k2m s VAL 715 CO 0.09 0.28 0.78 -0.69 -0.31 0.00 0.00 175.10 175.25 1k2m s VAL 716 N -0.71 4.89 0.63 1.32 1.01 -1.26 -4.63 120.40 121.64 1k2m s VAL 716 Ca 0.08 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 1k2m s VAL 716 Cb -0.09 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1k2m s VAL 716 CO 0.01 -0.00 0.88 -0.76 0.00 0.00 0.00 175.10 175.23 1k2m s LEU 717 N 2.42 3.11 0.20 3.92 1.43 0.41 -4.87 118.68 125.31 1k2m s LEU 717 Ca 0.34 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 1k2m s LEU 717 Cb -0.16 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1k2m s LEU 717 CO 0.10 -1.43 0.27 -0.75 0.23 0.00 0.00 176.35 174.76 1k2m s LYS 718 N -4.95 3.25 0.15 1.70 2.20 -1.26 0.93 119.74 121.76 1k2m s LYS 718 Ca 0.60 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1k2m s LYS 718 Cb -0.09 -2.81 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 1k2m s LYS 718 CO 0.41 0.47 0.45 -0.65 -0.36 0.00 0.00 175.35 175.66 1k2m s GLN 719 N -3.55 3.73 0.28 4.03 -0.21 0.18 -4.42 119.66 119.70 1k2m s GLN 719 Ca 0.33 0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.85 1k2m s GLN 719 Cb -0.10 -2.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 1k2m s GLN 719 CO 0.27 0.44 0.06 0.25 -2.12 0.00 0.00 175.29 174.19 1k2m n THR 720 N 0.25 0.00 -0.04 -0.19 -2.24 -1.26 -4.93 114.28 105.86 1k2m n THR 720 Ca -0.03 -1.49 0.22 0.00 -2.27 0.00 0.00 64.05 60.48 1k2m n THR 720 Cb 0.52 0.44 0.69 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.32 2.56 -0.16 6.98 0.00 -1.99 -1.25 119.26 126.72 1k2m h ALA 721 Ca -0.22 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1k2m h ALA 721 Cb 0.77 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1k2m h ALA 721 CO 0.36 -0.74 -0.05 1.49 0.00 0.00 0.00 179.25 180.32 1k2m h GLU 722 N 0.01 -0.01 -0.02 0.00 4.81 -1.98 0.96 114.58 118.36 1k2m h GLU 722 Ca 0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1k2m h GLU 722 Cb 1.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k2m h GLU 722 CO -0.01 -0.01 -0.02 0.93 -0.73 0.00 0.00 179.01 179.17 1k2m h GLU 723 N -0.01 0.05 -0.20 1.92 4.39 -1.65 -2.98 114.58 116.09 1k2m h GLU 723 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1k2m h GLU 723 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1k2m h GLU 723 CO -0.17 0.53 0.05 -0.22 -1.16 0.00 0.00 179.01 178.04 1k2m h LYS 724 N -0.44 0.28 -0.60 2.33 3.64 -1.25 -2.61 116.57 117.92 1k2m h LYS 724 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1k2m h LYS 724 Cb 0.53 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1k2m h LYS 724 CO 0.01 0.26 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.98 1k2m h ASP 725 N 0.28 1.06 -0.42 4.20 5.19 0.10 -1.94 116.42 124.89 1k2m h ASP 725 Ca 0.07 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1k2m h ASP 725 Cb 0.11 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1k2m h ASP 725 CO -0.00 1.12 0.16 -0.07 -3.12 0.00 0.00 179.24 177.33 1k2m h LEU 726 N 0.97 0.59 -1.02 1.55 3.38 -1.31 -2.48 115.31 116.99 1k2m h LEU 726 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k2m h LEU 726 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1k2m h LEU 726 CO 0.04 0.60 0.00 1.62 0.09 0.00 0.00 178.44 180.79 1k2m h VAL 727 N 0.54 0.00 -0.34 1.22 3.04 -1.50 -3.10 116.25 116.12 1k2m h VAL 727 Ca 0.14 -0.62 0.10 0.00 -1.01 0.00 0.00 66.70 65.31 1k2m h VAL 727 Cb 0.20 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1k2m h VAL 727 CO -0.01 0.00 0.42 0.50 -1.01 0.00 0.00 177.57 177.47 1k2m h LYS 728 N 0.00 0.00 -0.45 4.17 3.11 -0.86 0.45 116.57 122.99 1k2m h LYS 728 Ca 0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 1k2m h LYS 728 Cb 0.63 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.78 1k2m h LYS 728 CO 0.00 0.00 0.08 1.63 -2.81 0.00 0.00 179.45 178.35 1k2m n LYS 729 N -3.60 2.83 0.00 1.90 5.02 -1.17 -5.11 118.16 118.03 1k2m n LYS 729 Ca 0.06 -3.02 0.15 0.00 -2.02 0.00 0.00 58.31 53.48 1k2m n LYS 729 Cb 0.57 -1.96 0.74 0.00 -0.02 0.00 0.00 35.03 34.37 1k2m n LYS 729 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77