#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brb h LYS 576 N 0.00 -0.81 -4.78 3.52 1.57 -2.04 -3.27 116.57 110.76 3brb h LYS 576 Ca 0.00 0.06 -0.60 0.00 -1.87 0.00 0.00 60.65 58.24 3brb h LYS 576 Cb 0.00 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3brb h LYS 576 CO 0.00 -0.54 2.19 1.47 -0.57 0.00 0.00 179.45 182.00 3brb n LEU 577 N -4.37 4.56 0.00 2.94 -0.00 -1.26 -3.93 117.00 114.94 3brb n LEU 577 Ca -0.10 -3.36 0.00 0.00 -0.00 0.00 0.00 56.01 52.55 3brb n LEU 577 Cb 0.34 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 3brb n LEU 577 CO 0.25 -0.32 -0.46 -0.62 -0.00 0.00 0.00 177.39 176.24 3brb n GLU 578 N 7.29 1.87 0.13 1.47 -0.58 -1.23 -4.70 120.64 124.88 3brb n GLU 578 Ca 0.49 0.00 0.19 0.00 -0.42 0.00 0.00 57.16 57.42 3brb n GLU 578 Cb 0.42 -0.96 0.74 0.00 -0.57 0.00 0.00 31.44 31.07 3brb n GLU 578 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3brb h ASP 579 N 0.00 0.00 0.70 1.62 3.04 -1.86 -0.13 116.42 119.79 3brb h ASP 579 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3brb h ASP 579 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 3brb h ASP 579 CO 0.00 0.00 -0.72 0.55 -2.04 0.00 0.00 179.24 177.03 3brb n VAL 580 N -3.51 0.26 -2.84 4.15 3.14 -1.26 -4.88 118.33 113.39 3brb n VAL 580 Ca 0.06 -0.24 -0.41 0.00 -2.96 0.00 0.00 64.34 60.80 3brb n VAL 580 Cb 0.62 0.01 -0.04 0.00 -1.06 0.00 0.00 33.84 33.36 3brb n VAL 580 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3brb s VAL 581 N -3.16 4.88 -0.16 1.55 1.01 -0.06 -0.60 120.40 123.86 3brb s VAL 581 Ca 0.06 1.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.82 3brb s VAL 581 Cb 0.14 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3brb s VAL 581 CO 0.74 0.22 0.00 -0.63 0.00 0.00 0.00 175.10 175.44 3brb s ILE 582 N 0.75 4.28 0.13 2.22 1.01 0.09 -4.87 121.20 124.80 3brb s ILE 582 Ca 0.46 -0.22 -0.33 0.00 0.00 0.00 0.00 60.65 60.55 3brb s ILE 582 Cb -0.20 -2.89 -0.13 0.00 0.01 0.00 0.00 42.46 39.25 3brb s ILE 582 CO 0.25 0.50 1.67 -0.67 0.00 0.00 0.00 174.94 176.68 3brb n ASP 583 N 3.36 3.39 -0.12 3.58 2.03 -1.26 -4.40 116.55 123.13 3brb n ASP 583 Ca -0.17 1.05 0.15 0.00 0.52 0.00 0.00 54.79 56.35 3brb n ASP 583 Cb 0.52 -1.46 0.53 0.00 -0.72 0.00 0.00 41.12 40.00 3brb n ASP 583 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3brb h ARG 584 N 6.77 0.34 -0.02 -0.67 9.65 -1.95 -2.19 114.38 126.30 3brb h ARG 584 Ca -0.45 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 3brb h ARG 584 Cb 1.24 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3brb h ARG 584 CO 0.91 0.22 0.00 0.27 2.80 0.00 0.00 179.97 184.18 3brb n ASN 585 N -4.46 0.37 -0.52 -3.80 2.04 -1.26 -2.37 115.26 105.26 3brb n ASN 585 Ca 0.12 -1.33 0.13 0.00 -0.44 0.00 0.00 54.58 53.07 3brb n ASN 585 Cb 0.50 -0.01 0.48 0.00 -2.53 0.00 0.00 39.78 38.22 3brb n ASN 585 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3brb n LEU 586 N -0.61 1.61 -4.20 -4.53 4.77 -0.82 -4.88 117.00 108.33 3brb n LEU 586 Ca 0.18 -0.57 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 3brb n LEU 586 Cb 0.14 -0.02 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 3brb n LEU 586 CO 0.14 0.28 -0.55 -0.22 -1.33 0.00 0.00 177.39 175.72 3brb s LEU 587 N -1.91 2.02 -0.13 2.23 2.96 -1.00 0.11 118.68 122.96 3brb s LEU 587 Ca 0.37 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3brb s LEU 587 Cb 0.20 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.61 3brb s LEU 587 CO 0.32 0.16 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.67 3brb s ILE 588 N 0.25 1.95 -0.06 6.68 -1.09 0.39 -4.98 121.20 124.34 3brb s ILE 588 Ca -0.14 -0.92 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 3brb s ILE 588 Cb -0.16 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 3brb s ILE 588 CO 0.07 0.53 0.33 -0.76 -1.23 0.00 0.00 174.94 173.88 3brb s LEU 589 N 0.79 4.40 0.00 2.97 1.43 -1.26 -0.55 118.68 126.46 3brb s LEU 589 Ca -0.08 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3brb s LEU 589 Cb -0.16 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.62 3brb s LEU 589 CO -0.01 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3brb n GLY 590 N 2.25 3.66 3.74 -3.19 0.00 0.33 -4.97 105.19 107.00 3brb n GLY 590 Ca -0.14 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 3brb n GLY 590 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3brb s LYS 591 N 4.69 2.76 0.08 1.61 0.00 -1.26 -4.63 119.74 122.98 3brb s LYS 591 Ca 0.00 2.10 -0.30 0.00 0.00 0.00 0.00 55.97 57.77 3brb s LYS 591 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 37.83 35.80 3brb s LYS 591 CO 0.00 -1.45 1.09 0.42 0.00 0.00 0.00 175.35 175.41 3brb s ILE 592 N -1.38 4.25 -0.12 3.79 1.01 -1.26 -1.26 121.20 126.23 3brb s ILE 592 Ca 0.79 1.72 0.16 0.00 0.00 0.00 0.00 60.65 63.32 3brb s ILE 592 Cb -0.38 -4.10 -0.23 0.00 0.01 0.00 0.00 42.46 37.75 3brb s ILE 592 CO 0.41 0.19 0.39 0.18 0.00 0.00 0.00 174.94 176.12 3brb n LEU 593 N 3.37 0.42 -3.51 2.97 4.77 0.29 -4.92 117.00 120.39 3brb n LEU 593 Ca 0.06 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3brb n LEU 593 Cb 0.48 0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 3brb n LEU 593 CO 0.54 0.39 0.57 -0.83 -1.33 0.00 0.00 177.39 176.73 3brb s GLY 594 N -5.22 -0.48 0.02 -0.72 0.00 -1.12 -5.00 107.32 94.80 3brb s GLY 594 Ca -0.07 1.30 0.04 0.00 0.00 0.00 0.00 44.72 45.99 3brb s GLY 594 CO 0.83 0.71 -0.11 -0.54 0.00 0.00 0.00 173.10 173.99 3brb s GLU 595 N -2.01 0.77 0.18 2.90 2.02 -1.26 -0.84 118.70 120.45 3brb s GLU 595 Ca -0.03 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3brb s GLU 595 Cb -0.00 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.49 3brb s GLU 595 CO -0.00 0.18 0.13 0.41 0.02 0.00 0.00 175.26 176.00 3brb n GLY 596 N 2.16 3.49 0.30 -1.39 0.00 0.75 -5.00 105.19 105.50 3brb n GLY 596 Ca -0.17 -1.81 0.15 0.00 0.00 0.00 0.00 46.02 44.18 3brb n GLY 596 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3brb n GLU 597 N -0.35 1.41 0.00 1.61 -0.58 -1.26 -4.10 120.64 117.37 3brb n GLU 597 Ca 0.03 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 3brb n GLU 597 Cb 0.31 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3brb n GLU 597 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 3brb n PHE 598 N -0.27 0.00 -3.62 -0.32 -1.74 -1.26 -5.14 117.46 105.11 3brb n PHE 598 Ca 0.21 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.96 3brb n PHE 598 Cb 0.26 0.03 -0.06 0.00 1.52 0.00 0.00 39.48 41.23 3brb n PHE 598 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3brb s GLY 599 N 0.00 -0.35 0.11 4.97 0.00 -1.26 -4.35 107.32 106.44 3brb s GLY 599 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 44.72 45.28 3brb s GLY 599 CO 0.00 0.20 -0.19 -0.45 0.00 0.00 0.00 173.10 172.66 3brb s SER 600 N -1.93 2.38 -0.12 1.64 0.15 -1.25 -0.18 113.70 114.39 3brb s SER 600 Ca -0.06 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.88 3brb s SER 600 Cb -0.01 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3brb s SER 600 CO -0.01 0.00 -0.13 -0.69 1.20 0.00 0.00 173.24 173.61 3brb s VAL 601 N -1.41 1.42 0.13 4.45 1.01 -0.02 -1.11 120.40 124.88 3brb s VAL 601 Ca 0.07 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.57 3brb s VAL 601 Cb -0.09 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3brb s VAL 601 CO 0.04 0.43 -0.21 -0.04 0.00 0.00 0.00 175.10 175.33 3brb s MET 602 N 1.30 1.23 0.50 2.72 -1.94 0.64 0.11 119.30 123.86 3brb s MET 602 Ca -0.00 -1.30 -0.19 0.00 -1.71 0.00 0.00 55.69 52.49 3brb s MET 602 Cb -0.14 -1.45 -0.08 0.00 2.01 0.00 0.00 34.83 35.17 3brb s MET 602 CO -0.06 0.32 1.01 -1.83 -0.01 0.00 0.00 175.02 174.45 3brb s GLU 603 N -2.30 3.85 0.36 2.03 -1.05 -0.39 0.21 118.70 121.41 3brb s GLU 603 Ca 0.12 1.19 -0.17 0.00 -0.15 0.00 0.00 54.97 55.96 3brb s GLU 603 Cb -0.08 -2.11 0.05 0.00 -0.44 0.00 0.00 34.13 31.54 3brb s GLU 603 CO 0.06 -0.37 0.77 0.20 0.95 0.00 0.00 175.26 176.87 3brb s GLY 604 N -2.39 0.25 -0.06 -3.83 0.00 0.76 -0.51 107.32 101.53 3brb s GLY 604 Ca 0.64 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.78 3brb s GLY 604 CO 0.24 -0.23 -0.24 -1.31 0.00 0.00 0.00 173.10 171.56 3brb s ASN 605 N -3.03 3.17 -0.18 1.64 0.01 0.28 -0.73 114.94 116.10 3brb s ASN 605 Ca 0.14 -0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 51.79 3brb s ASN 605 Cb -0.05 -0.91 -0.01 0.00 0.41 0.00 0.00 41.25 40.69 3brb s ASN 605 CO 0.10 0.24 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.62 3brb s LEU 606 N -0.14 2.77 -0.15 0.60 2.96 -0.28 -0.46 118.68 123.97 3brb s LEU 606 Ca -0.04 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 3brb s LEU 606 Cb -0.14 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3brb s LEU 606 CO 0.04 0.07 1.19 -1.59 -1.32 0.00 0.00 176.35 174.74 3brb s LYS 607 N 0.94 4.27 0.50 1.98 -2.85 0.12 -0.74 119.74 123.96 3brb s LYS 607 Ca -0.02 1.59 -0.03 0.00 -1.00 0.00 0.00 55.97 56.51 3brb s LYS 607 Cb -0.15 -3.69 -0.01 0.00 -2.06 0.00 0.00 37.83 31.93 3brb s LYS 607 CO -0.00 -0.62 0.77 -0.65 0.10 0.00 0.00 175.35 174.95 3brb s GLN 608 N 3.09 3.15 0.44 1.78 -0.21 0.13 -4.94 119.66 123.11 3brb s GLN 608 Ca 0.53 -0.15 0.16 0.00 0.02 0.00 0.00 55.36 55.92 3brb s GLN 608 Cb -0.21 -2.42 1.08 0.00 1.00 0.00 0.00 33.01 32.47 3brb s GLN 608 CO 0.15 -0.38 1.96 1.05 -2.12 0.00 0.00 175.29 175.94 3brb h GLU 609 N 0.17 0.35 -1.06 2.91 4.11 -1.96 0.23 114.58 119.33 3brb h GLU 609 Ca -0.46 -0.02 0.31 0.00 0.07 0.00 0.00 59.36 59.25 3brb h GLU 609 Cb 1.24 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3brb h GLU 609 CO 0.60 0.23 0.91 0.22 0.07 0.00 0.00 179.01 181.03 3brb h ASP 610 N 0.36 0.00 0.00 3.06 1.82 -2.02 -3.46 116.42 116.18 3brb h ASP 610 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3brb h ASP 610 Cb 0.72 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.73 3brb h ASP 610 CO -0.08 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.16 3brb n GLY 611 N -1.71 1.82 3.92 -0.78 0.00 0.80 -5.06 105.19 104.19 3brb n GLY 611 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 3brb n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3brb s THR 612 N -2.47 4.39 -0.11 2.61 -4.23 -1.26 -4.74 115.64 109.84 3brb s THR 612 Ca 0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 3brb s THR 612 Cb 0.00 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3brb s THR 612 CO 0.00 -0.65 -0.05 -0.44 -0.54 0.00 0.00 174.62 172.94 3brb s SER 613 N -4.18 4.74 -0.05 3.99 0.01 -1.26 0.22 113.70 117.16 3brb s SER 613 Ca 0.49 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.73 3brb s SER 613 Cb -0.10 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 3brb s SER 613 CO 0.44 0.28 -0.15 -0.22 0.41 0.00 0.00 173.24 174.00 3brb s LEU 614 N -0.33 2.68 -0.00 2.44 2.96 0.09 -4.94 118.68 121.58 3brb s LEU 614 Ca 0.05 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 3brb s LEU 614 Cb -0.12 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3brb s LEU 614 CO 0.02 0.33 1.28 -0.75 -1.32 0.00 0.00 176.35 175.91 3brb s LYS 615 N -0.64 4.34 0.25 1.98 2.47 -1.26 -1.13 119.74 125.75 3brb s LYS 615 Ca 0.10 1.81 0.06 0.00 -1.56 0.00 0.00 55.97 56.38 3brb s LYS 615 Cb -0.11 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.70 3brb s LYS 615 CO 0.01 -0.45 -0.07 0.14 0.16 0.00 0.00 175.35 175.14 3brb s VAL 616 N 1.98 1.54 -0.12 4.02 -7.23 0.09 -0.98 120.40 119.70 3brb s VAL 616 Ca 0.59 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3brb s VAL 616 Cb -0.28 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 3brb s VAL 616 CO 0.25 -0.39 -0.08 0.00 -0.31 0.00 0.00 175.10 174.57 3brb s ALA 617 N -3.08 2.86 -0.13 1.32 0.00 0.22 -0.17 121.76 122.79 3brb s ALA 617 Ca 0.27 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3brb s ALA 617 Cb 0.03 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3brb s ALA 617 CO 0.10 0.33 -0.21 0.08 0.00 0.00 0.00 175.76 176.06 3brb s VAL 618 N 0.01 1.96 -0.13 0.00 1.01 0.13 -1.57 120.40 121.82 3brb s VAL 618 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3brb s VAL 618 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3brb s VAL 618 CO 0.03 0.53 -0.09 -0.54 0.00 0.00 0.00 175.10 175.04 3brb s LYS 619 N 0.75 3.38 0.22 2.72 1.02 -0.51 -0.26 119.74 127.05 3brb s LYS 619 Ca -0.09 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.34 3brb s LYS 619 Cb -0.16 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3brb s LYS 619 CO 0.00 0.30 0.28 0.95 -0.92 0.00 0.00 175.35 175.96 3brb s THR 620 N 0.17 5.00 0.10 2.17 -4.23 -0.27 -0.06 115.64 118.53 3brb s THR 620 Ca -0.05 -1.03 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 3brb s THR 620 Cb -0.14 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.11 3brb s THR 620 CO 0.04 -0.26 1.06 0.00 -0.54 0.00 0.00 174.62 174.92 3brb s MET 621 N -3.70 0.96 0.04 3.99 0.23 -0.92 -3.78 119.30 116.11 3brb s MET 621 Ca 0.34 -0.53 0.09 0.00 -1.03 0.00 0.00 55.69 54.55 3brb s MET 621 Cb -0.09 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 3brb s MET 621 CO 0.27 -0.44 -0.26 0.15 -2.03 0.00 0.00 175.02 172.72 3brb s LYS 622 N -2.99 1.76 0.03 3.16 1.02 -1.26 -2.89 119.74 118.58 3brb s LYS 622 Ca 0.13 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 3brb s LYS 622 Cb 0.00 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 3brb s LYS 622 CO 0.01 0.50 0.45 -0.51 -0.92 0.00 0.00 175.35 174.87 3brb s LEU 623 N -1.20 4.46 0.55 3.17 1.02 -0.86 -4.98 118.68 120.84 3brb s LEU 623 Ca 0.11 1.01 0.35 0.00 0.02 0.00 0.00 54.13 55.62 3brb s LEU 623 Cb -0.10 -2.74 1.57 0.00 0.02 0.00 0.00 46.19 44.95 3brb s LEU 623 CO 0.02 0.28 2.04 -2.24 0.02 0.00 0.00 176.35 176.48 3brb h ASP 624 N 4.48 0.00 -5.06 2.29 2.03 -1.99 -3.42 116.42 114.75 3brb h ASP 624 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3brb h ASP 624 Cb 1.21 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.63 3brb h ASP 624 CO 0.63 0.00 0.10 0.54 -1.03 0.00 0.00 179.24 179.48 3brb s ASN 625 N -5.43 -0.29 0.00 4.15 2.20 -1.26 -5.06 114.94 109.25 3brb s ASN 625 Ca -0.00 -0.48 0.14 0.00 -0.94 0.00 0.00 52.86 51.58 3brb s ASN 625 Cb 0.10 0.63 0.48 0.00 -2.00 0.00 0.00 41.25 40.45 3brb s ASN 625 CO 0.50 -1.13 1.36 -0.24 -2.94 0.00 0.00 177.10 174.65 3brb n SER 626 N -0.38 1.64 -4.74 3.54 2.88 -1.26 -4.72 113.62 110.57 3brb n SER 626 Ca -0.09 -1.88 -0.33 0.00 -1.33 0.00 0.00 58.87 55.25 3brb n SER 626 Cb 0.62 -0.17 0.08 0.00 -0.75 0.00 0.00 64.21 63.99 3brb n SER 626 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3brb s SER 627 N -1.22 4.48 0.15 -3.46 1.04 -1.26 -4.83 113.70 108.60 3brb s SER 627 Ca 0.26 2.10 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 3brb s SER 627 Cb 0.13 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 3brb s SER 627 CO 0.19 -2.06 1.53 1.56 0.98 0.00 0.00 173.24 175.43 3brb h GLN 628 N -0.49 0.95 -0.99 4.02 1.08 -1.98 -0.30 115.11 117.41 3brb h GLN 628 Ca -0.46 -0.43 0.11 0.00 -1.45 0.00 0.00 58.65 56.42 3brb h GLN 628 Cb 1.26 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.59 3brb h GLN 628 CO 0.51 1.09 0.63 0.00 -0.95 0.00 0.00 178.83 180.11 3brb h ARG 629 N 0.79 0.98 0.19 1.46 -0.00 -1.98 0.64 114.38 116.46 3brb h ARG 629 Ca 0.10 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 3brb h ARG 629 Cb 0.82 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.57 3brb h ARG 629 CO 0.07 0.65 -0.09 1.49 0.00 0.00 0.00 179.97 182.09 3brb h GLU 630 N 1.01 -0.24 -0.27 0.04 4.57 -1.81 -2.40 114.58 115.49 3brb h GLU 630 Ca 0.47 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.72 3brb h GLU 630 Cb 0.41 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3brb h GLU 630 CO -0.23 0.16 -0.04 0.82 -1.18 0.00 0.00 179.01 178.54 3brb h ILE 631 N -0.78 0.76 -0.94 2.32 5.03 -0.89 -1.70 117.51 121.31 3brb h ILE 631 Ca -0.03 -0.01 0.01 0.00 -0.12 0.00 0.00 64.86 64.71 3brb h ILE 631 Cb 0.52 0.73 -0.05 0.00 -3.03 0.00 0.00 36.82 34.98 3brb h ILE 631 CO 0.04 0.01 0.62 -0.33 -0.68 0.00 0.00 178.15 177.81 3brb h GLU 632 N 0.03 1.24 -0.38 2.37 3.07 0.22 -0.54 114.58 120.59 3brb h GLU 632 Ca 0.13 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.77 3brb h GLU 632 Cb 0.19 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3brb h GLU 632 CO -0.25 0.83 -0.33 1.49 -1.40 0.00 0.00 179.01 179.34 3brb h GLU 633 N 1.28 0.86 -0.08 2.33 4.81 -1.20 0.11 114.58 122.68 3brb h GLU 633 Ca 0.34 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3brb h GLU 633 Cb -0.14 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3brb h GLU 633 CO -0.07 1.06 0.00 0.35 -0.73 0.00 0.00 179.01 179.62 3brb h PHE 634 N 0.72 0.16 -0.26 0.92 3.57 -0.92 -2.84 116.94 118.30 3brb h PHE 634 Ca 0.07 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3brb h PHE 634 Cb 0.89 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3brb h PHE 634 CO 0.05 0.40 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.31 3brb h LEU 635 N -0.13 0.43 -0.36 0.59 3.38 -1.02 -1.43 115.31 116.76 3brb h LEU 635 Ca 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3brb h LEU 635 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3brb h LEU 635 CO 0.00 0.61 0.03 0.28 0.09 0.00 0.00 178.44 179.45 3brb h SER 636 N 0.40 0.60 -0.58 -0.43 0.02 -0.80 0.13 113.55 112.89 3brb h SER 636 Ca 0.07 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3brb h SER 636 Cb 0.51 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3brb h SER 636 CO 0.03 0.73 0.20 -0.08 -1.14 0.00 0.00 176.83 176.57 3brb h GLU 637 N 0.44 0.89 -0.89 3.45 4.81 -1.36 -0.71 114.58 121.21 3brb h GLU 637 Ca 0.11 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3brb h GLU 637 Cb 0.40 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3brb h GLU 637 CO 0.01 0.79 0.53 0.00 -0.73 0.00 0.00 179.01 179.61 3brb h ALA 638 N 1.06 1.14 -0.84 2.92 0.00 -1.10 -1.23 119.26 121.21 3brb h ALA 638 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3brb h ALA 638 Cb 0.25 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3brb h ALA 638 CO -0.01 0.61 0.41 0.00 0.00 0.00 0.00 179.25 180.25 3brb h ALA 639 N 1.29 1.08 -0.18 0.00 0.00 -0.22 0.12 119.26 121.35 3brb h ALA 639 Ca 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3brb h ALA 639 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3brb h ALA 639 CO -0.06 0.64 0.11 0.00 0.00 0.00 0.00 179.25 179.94 3brb h MET 641 N 0.21 0.70 0.00 0.00 2.86 -0.85 -0.18 114.93 117.68 3brb h MET 641 Ca 0.06 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3brb h MET 641 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3brb h MET 641 CO -0.01 0.67 -0.19 -0.22 1.06 0.00 0.00 176.91 178.22 3brb h LYS 642 N 0.68 0.00 -0.00 1.72 3.64 -0.60 -2.45 116.57 119.55 3brb h LYS 642 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3brb h LYS 642 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3brb h LYS 642 CO 0.01 0.19 -0.12 -0.25 -2.27 0.00 0.00 179.45 177.00 3brb n ASP 643 N -3.70 0.21 -4.59 4.20 8.00 -0.11 -4.81 116.55 115.75 3brb n ASP 643 Ca -0.01 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 3brb n ASP 643 Cb 0.30 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3brb n ASP 643 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3brb s PHE 644 N -2.80 1.75 -0.49 1.24 0.08 -0.92 -4.94 117.98 111.90 3brb s PHE 644 Ca 0.19 0.67 0.03 0.00 0.12 0.00 0.00 56.93 57.94 3brb s PHE 644 Cb 0.19 -4.10 0.13 0.00 -0.57 0.00 0.00 43.02 38.67 3brb s PHE 644 CO 0.54 -2.90 0.25 0.45 -0.10 0.00 0.00 175.22 173.46 3brb s SER 645 N 6.59 4.01 -0.13 1.36 0.15 -1.26 -4.67 113.70 119.74 3brb s SER 645 Ca 0.79 -2.85 -0.12 0.00 0.70 0.00 0.00 55.95 54.47 3brb s SER 645 Cb -0.21 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 3brb s SER 645 CO 0.32 -0.24 0.35 -2.28 1.20 0.00 0.00 173.24 172.59 3brb s HIS 646 N -0.02 -0.40 0.56 3.44 5.04 -1.26 -5.05 115.29 117.60 3brb s HIS 646 Ca 0.17 0.96 0.27 0.00 -1.54 0.00 0.00 55.06 54.92 3brb s HIS 646 Cb -0.25 0.14 1.48 0.00 0.04 0.00 0.00 32.58 33.99 3brb s HIS 646 CO -0.00 -0.20 2.01 -1.00 -2.34 0.00 0.00 174.74 173.21 3brb h PRO 647 N 5.73 0.00 -0.60 2.88 0.13 -1.98 -2.15 132.00 136.02 3brb h PRO 647 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3brb h PRO 647 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3brb h PRO 647 CO 0.29 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.15 3brb n ASN 648 N -4.10 5.08 -3.91 1.44 4.13 -1.26 -4.65 115.26 112.00 3brb n ASN 648 Ca 0.07 -2.65 -0.22 0.00 1.68 0.00 0.00 54.58 53.45 3brb n ASN 648 Cb 0.52 -0.61 -0.17 0.00 -1.54 0.00 0.00 39.78 37.98 3brb n ASN 648 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3brb s VAL 649 N -2.23 0.73 0.40 2.41 1.01 -0.81 -0.60 120.40 121.31 3brb s VAL 649 Ca 0.52 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 3brb s VAL 649 Cb 0.36 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 3brb s VAL 649 CO 0.21 0.28 1.21 -0.51 0.00 0.00 0.00 175.10 176.29 3brb s ILE 650 N 1.12 2.98 -0.22 2.22 2.07 -0.81 -4.48 121.20 124.08 3brb s ILE 650 Ca -0.07 0.83 -0.06 0.00 -1.41 0.00 0.00 60.65 59.94 3brb s ILE 650 Cb -0.14 -3.47 -0.03 0.00 0.13 0.00 0.00 42.46 38.95 3brb s ILE 650 CO -0.01 0.09 0.04 -0.60 -1.91 0.00 0.00 174.94 172.54 3brb s ARG 651 N -2.29 3.66 0.22 3.50 3.52 -1.26 -4.99 118.95 121.30 3brb s ARG 651 Ca 0.57 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3brb s ARG 651 Cb -0.33 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 3brb s ARG 651 CO 0.42 -0.07 1.43 -1.17 -0.81 0.00 0.00 175.30 175.10 3brb s LEU 652 N 1.25 4.39 -0.03 -0.88 0.20 -1.25 -4.34 118.68 118.00 3brb s LEU 652 Ca 0.04 2.58 -0.01 0.00 0.69 0.00 0.00 54.13 57.43 3brb s LEU 652 Cb -0.15 -3.61 -0.26 0.00 -0.43 0.00 0.00 46.19 41.74 3brb s LEU 652 CO 0.02 -0.68 0.71 -0.07 -0.29 0.00 0.00 176.35 176.04 3brb h LEU 653 N 5.50 0.31 0.00 -0.68 3.38 -1.29 -3.39 115.31 119.13 3brb h LEU 653 Ca -0.45 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.00 3brb h LEU 653 Cb 1.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3brb h LEU 653 CO 0.80 1.45 0.00 0.61 0.09 0.00 0.00 178.44 181.39 3brb n GLY 654 N 1.72 -2.11 3.09 0.83 0.00 -1.23 -5.00 105.19 102.49 3brb n GLY 654 Ca -0.20 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 3brb n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3brb s VAL 655 N -2.33 1.22 0.04 1.61 -7.23 0.23 -1.17 120.40 112.78 3brb s VAL 655 Ca 0.00 -0.60 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 3brb s VAL 655 Cb 0.00 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3brb s VAL 655 CO 0.00 0.36 0.25 0.00 -0.31 0.00 0.00 175.10 175.39 3brb s ILE 657 N -1.43 1.68 0.42 0.00 1.01 -1.26 0.05 121.20 121.66 3brb s ILE 657 Ca 0.32 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.23 3brb s ILE 657 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3brb s ILE 657 CO 0.22 0.37 0.28 -1.61 0.00 0.00 0.00 174.94 174.20 3brb s GLU 658 N 1.42 2.37 0.04 2.79 2.02 -1.08 -4.94 118.70 121.32 3brb s GLU 658 Ca 0.03 -1.70 0.01 0.00 0.02 0.00 0.00 54.97 53.32 3brb s GLU 658 Cb -0.14 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3brb s GLU 658 CO -0.10 -0.17 0.11 -1.64 0.02 0.00 0.00 175.26 173.48 3brb s MET 659 N -4.02 3.08 0.53 1.61 -1.94 -1.26 0.03 119.30 117.33 3brb s MET 659 Ca 0.44 -0.54 -0.19 0.00 -1.71 0.00 0.00 55.69 53.69 3brb s MET 659 Cb 0.00 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 33.93 3brb s MET 659 CO 0.25 0.61 1.10 0.45 -0.01 0.00 0.00 175.02 177.43 3brb s SER 660 N -2.10 5.86 0.64 3.03 0.15 -0.41 -4.82 113.70 116.05 3brb s SER 660 Ca 0.27 2.10 0.36 0.00 0.70 0.00 0.00 55.95 59.38 3brb s SER 660 Cb -0.12 -2.57 2.03 0.00 -1.71 0.00 0.00 66.02 63.64 3brb s SER 660 CO 0.19 -1.12 2.20 0.77 1.20 0.00 0.00 173.24 176.49 3brb h SER 661 N 1.23 0.00 0.60 5.45 4.64 -1.99 0.90 113.55 124.39 3brb h SER 661 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 3brb h SER 661 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3brb h SER 661 CO 0.57 0.00 -1.43 0.00 -0.87 0.00 0.00 176.83 175.10 3brb n GLN 662 N -3.29 0.63 0.00 4.77 3.00 -1.26 -5.01 117.38 116.22 3brb n GLN 662 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3brb n GLN 662 Cb 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 28.72 3brb n GLN 662 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3brb n GLY 663 N 1.26 1.97 3.36 1.08 0.00 0.31 -5.13 105.19 108.04 3brb n GLY 663 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3brb n GLY 663 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3brb s ILE 664 N -2.00 3.32 0.13 -0.61 -5.25 -1.26 -4.73 121.20 110.81 3brb s ILE 664 Ca 0.00 -0.54 -0.34 0.00 -0.99 0.00 0.00 60.65 58.78 3brb s ILE 664 Cb 0.00 -2.46 -0.17 0.00 2.95 0.00 0.00 42.46 42.78 3brb s ILE 664 CO 0.00 0.47 1.05 -2.65 -1.79 0.00 0.00 174.94 172.03 3brb n PRO 665 N 4.11 0.73 -3.85 0.37 -0.01 -1.26 -1.29 135.00 133.80 3brb n PRO 665 Ca -0.18 0.26 -0.28 0.00 -0.01 0.00 0.00 63.50 63.29 3brb n PRO 665 Cb 0.52 -1.69 -0.12 0.00 -0.01 0.00 0.00 33.50 32.20 3brb n PRO 665 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 3brb s LYS 666 N -0.35 2.31 0.79 -0.52 1.02 0.11 -2.03 119.74 121.06 3brb s LYS 666 Ca 0.76 -3.21 -0.14 0.00 0.02 0.00 0.00 55.97 53.40 3brb s LYS 666 Cb -0.96 -3.23 0.07 0.00 -0.52 0.00 0.00 37.83 33.19 3brb s LYS 666 CO 0.54 -1.29 1.21 -2.14 -0.92 0.00 0.00 175.35 172.75 3brb s PRO 667 N -1.28 1.76 -0.12 -1.68 0.02 -1.14 -2.63 135.00 129.92 3brb s PRO 667 Ca 0.25 1.79 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 3brb s PRO 667 Cb -0.04 -1.79 0.04 0.00 0.02 0.00 0.00 34.50 32.73 3brb s PRO 667 CO -0.16 -2.13 -0.02 -1.64 -0.33 0.00 0.00 177.00 172.72 3brb s MET 668 N -4.05 0.95 -0.06 5.54 -1.94 0.11 -2.18 119.30 117.66 3brb s MET 668 Ca 0.74 -0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 54.45 3brb s MET 668 Cb -0.29 -1.48 -0.05 0.00 2.01 0.00 0.00 34.83 35.01 3brb s MET 668 CO 0.49 -0.38 0.26 0.14 -0.01 0.00 0.00 175.02 175.52 3brb s VAL 669 N 1.84 5.30 -0.21 -6.03 -7.23 0.91 -0.73 120.40 114.26 3brb s VAL 669 Ca 0.03 0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.64 3brb s VAL 669 Cb -0.14 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.27 3brb s VAL 669 CO -0.07 0.59 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.59 3brb s ILE 670 N -1.07 2.95 0.13 -0.62 -1.09 -0.32 -1.43 121.20 119.76 3brb s ILE 670 Ca 0.19 -0.65 0.08 0.00 -2.23 0.00 0.00 60.65 58.05 3brb s ILE 670 Cb -0.14 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3brb s ILE 670 CO 0.08 0.45 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.29 3brb s LEU 671 N 1.42 2.35 0.49 2.97 1.43 -0.61 -0.70 118.68 126.03 3brb s LEU 671 Ca 0.05 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 3brb s LEU 671 Cb -0.14 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 3brb s LEU 671 CO -0.06 0.02 1.34 -2.16 0.23 0.00 0.00 176.35 175.72 3brb s PRO 672 N -2.26 3.51 0.06 1.29 0.04 -1.26 -0.61 135.00 135.77 3brb s PRO 672 Ca 0.10 2.21 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 3brb s PRO 672 Cb -0.08 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 3brb s PRO 672 CO 0.05 -0.89 0.80 0.12 0.04 0.00 0.00 177.00 177.13 3brb s PHE 673 N -1.30 3.76 -0.44 0.56 5.36 -0.15 -4.38 117.98 121.39 3brb s PHE 673 Ca 0.65 1.54 -0.10 0.00 -0.96 0.00 0.00 56.93 58.06 3brb s PHE 673 Cb -0.39 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.51 3brb s PHE 673 CO 0.48 0.27 0.30 -1.64 -1.46 0.00 0.00 175.22 173.17 3brb s MET 674 N -0.09 2.64 0.58 10.12 -1.94 -1.26 -4.89 119.30 124.46 3brb s MET 674 Ca 0.40 -1.50 0.32 0.00 -1.71 0.00 0.00 55.69 53.20 3brb s MET 674 Cb -0.21 -3.86 1.76 0.00 2.01 0.00 0.00 34.83 34.53 3brb s MET 674 CO 0.24 -1.01 2.18 1.57 -0.01 0.00 0.00 175.02 177.99 3brb h LYS 675 N 8.47 0.00 -0.01 2.03 2.10 -1.96 -0.44 116.57 126.76 3brb h LYS 675 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3brb h LYS 675 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3brb h LYS 675 CO 0.80 0.05 -0.12 0.66 -2.00 0.00 0.00 179.45 178.84 3brb n TYR 676 N -3.52 0.00 -4.42 0.07 4.01 -1.26 -5.02 117.16 107.02 3brb n TYR 676 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3brb n TYR 676 Cb 0.17 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3brb n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3brb n GLY 677 N 1.25 -0.43 3.87 2.72 0.00 -0.18 -4.69 105.19 107.73 3brb n GLY 677 Ca 0.16 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3brb n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3brb s ASP 678 N -4.00 6.60 0.28 1.61 -4.77 -1.26 -0.82 116.67 114.30 3brb s ASP 678 Ca 0.00 1.12 0.01 0.00 -3.30 0.00 0.00 52.55 50.37 3brb s ASP 678 Cb 0.00 -2.31 0.41 0.00 -1.09 0.00 0.00 42.92 39.93 3brb s ASP 678 CO 0.00 -0.29 1.76 0.25 0.70 0.00 0.00 175.17 177.59 3brb h LEU 679 N 1.71 0.61 -0.14 2.11 5.85 -0.95 -2.69 115.31 121.79 3brb h LEU 679 Ca -0.47 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.11 3brb h LEU 679 Cb 1.18 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3brb h LEU 679 CO 0.65 0.75 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.70 3brb h HIS 680 N 0.57 -0.13 -0.56 1.25 2.76 -1.78 -0.98 115.15 116.29 3brb h HIS 680 Ca 0.10 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 3brb h HIS 680 Cb 0.52 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 3brb h HIS 680 CO 0.02 -0.09 0.18 1.15 -1.30 0.00 0.00 177.93 177.89 3brb h THR 681 N -0.03 1.22 -0.34 6.26 2.02 -1.88 -2.78 112.91 117.38 3brb h THR 681 Ca 0.08 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3brb h THR 681 Cb 0.15 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3brb h THR 681 CO -0.17 0.28 0.08 0.22 0.37 0.00 0.00 175.52 176.31 3brb h TYR 682 N 0.82 0.57 -0.71 3.16 5.03 -1.15 -0.96 116.97 123.73 3brb h TYR 682 Ca 0.19 -0.07 0.05 0.00 2.58 0.00 0.00 58.73 61.48 3brb h TYR 682 Cb 0.23 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.30 3brb h TYR 682 CO 0.01 0.59 0.42 -0.07 -1.32 0.00 0.00 178.16 177.78 3brb h LEU 683 N 0.39 0.64 -0.41 2.82 3.38 -1.02 -1.22 115.31 119.89 3brb h LEU 683 Ca 0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3brb h LEU 683 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3brb h LEU 683 CO 0.00 0.42 0.07 -0.07 0.09 0.00 0.00 178.44 178.95 3brb h LEU 684 N 0.77 0.65 -1.94 1.67 3.38 -1.28 -2.97 115.31 115.59 3brb h LEU 684 Ca 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3brb h LEU 684 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3brb h LEU 684 CO -0.17 0.74 -0.04 1.88 0.09 0.00 0.00 178.44 180.95 3brb h TYR 685 N 0.53 0.00 0.00 1.13 0.99 -0.69 -0.66 116.97 118.27 3brb h TYR 685 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 3brb h TYR 685 Cb 0.37 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.10 3brb h TYR 685 CO 0.03 0.04 0.00 -1.13 -0.00 0.00 0.00 178.16 177.09 3brb n SER 686 N -4.47 0.46 -0.76 3.88 3.41 -0.50 -1.20 113.62 114.44 3brb n SER 686 Ca -0.03 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3brb n SER 686 Cb 0.12 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 63.64 3brb n SER 686 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3brb n ARG 687 N -2.05 2.04 -4.41 4.33 1.74 -0.26 -4.09 116.66 113.96 3brb n ARG 687 Ca 0.01 -1.51 -0.22 0.00 -0.77 0.00 0.00 57.85 55.35 3brb n ARG 687 Cb 0.13 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 3brb n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3brb s LEU 688 N -1.92 2.21 0.54 0.55 1.43 -0.34 -5.12 118.68 116.02 3brb s LEU 688 Ca 0.33 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 3brb s LEU 688 Cb 0.20 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.60 3brb s LEU 688 CO 0.31 0.07 1.26 -0.62 0.23 0.00 0.00 176.35 177.60 3brb n GLU 689 N 1.65 1.55 -0.66 1.70 -0.58 -1.26 -2.12 120.64 120.92 3brb n GLU 689 Ca -0.18 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 3brb n GLU 689 Cb 0.54 -2.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 3brb n GLU 689 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3brb n THR 690 N -1.05 0.00 -2.50 2.62 -2.24 -1.26 -5.03 114.28 104.82 3brb n THR 690 Ca 0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 3brb n THR 690 Cb 0.44 -0.05 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 3brb n THR 690 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3brb n GLY 691 N -2.00 0.65 3.62 3.38 0.00 -0.90 -5.07 105.19 104.88 3brb n GLY 691 Ca 0.00 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 3brb n GLY 691 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3brb n PRO 692 N -2.35 -0.56 -0.55 1.61 -0.04 -1.26 -4.94 135.00 126.92 3brb n PRO 692 Ca 0.12 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 3brb n PRO 692 Cb 0.43 -2.29 0.09 0.00 -0.04 0.00 0.00 33.50 31.69 3brb n PRO 692 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3brb n LYS 693 N -3.94 -1.31 -1.62 0.54 0.00 -1.26 -4.36 118.16 106.22 3brb n LYS 693 Ca 0.11 -0.74 -0.50 0.00 -0.00 0.00 0.00 58.31 57.18 3brb n LYS 693 Cb 0.52 -0.60 -0.05 0.00 -0.00 0.00 0.00 35.03 34.90 3brb n LYS 693 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3brb n HIS 694 N -3.14 1.80 -3.05 5.58 -0.00 -1.26 -4.77 115.22 110.38 3brb n HIS 694 Ca 0.06 0.50 -0.41 0.00 0.46 0.00 0.00 57.72 58.33 3brb n HIS 694 Cb 0.23 -2.41 -0.06 0.00 -0.12 0.00 0.00 29.99 27.63 3brb n HIS 694 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3brb s ILE 695 N 0.65 4.93 0.80 3.57 1.01 -1.26 -5.05 121.20 125.85 3brb s ILE 695 Ca 0.82 1.21 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 3brb s ILE 695 Cb -0.85 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 37.69 3brb s ILE 695 CO 0.43 -0.03 1.09 -2.16 0.00 0.00 0.00 174.94 174.27 3brb s PRO 696 N 2.62 2.07 0.21 2.79 0.04 -1.26 -4.81 135.00 136.66 3brb s PRO 696 Ca 0.28 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 3brb s PRO 696 Cb -0.15 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 32.73 3brb s PRO 696 CO 0.09 -1.67 1.63 1.25 0.04 0.00 0.00 177.00 178.35 3brb h LEU 697 N -1.13 -0.51 -1.38 -3.56 5.85 -1.99 -1.25 115.31 111.34 3brb h LEU 697 Ca -0.47 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.58 3brb h LEU 697 Cb 1.26 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 3brb h LEU 697 CO 0.57 -0.19 0.55 1.56 -0.34 0.00 0.00 178.44 180.60 3brb h GLN 698 N 0.02 0.59 0.02 1.25 7.50 -1.93 0.52 115.11 123.08 3brb h GLN 698 Ca 0.31 -0.04 -0.26 0.00 0.50 0.00 0.00 58.65 59.16 3brb h GLN 698 Cb 0.48 -0.13 0.02 0.00 0.05 0.00 0.00 27.48 27.90 3brb h GLN 698 CO -0.62 0.39 -1.03 1.15 -1.50 0.00 0.00 178.83 177.23 3brb h THR 699 N 0.61 1.30 -0.19 -0.54 2.02 -1.62 -0.76 112.91 113.73 3brb h THR 699 Ca 0.42 -2.26 0.01 0.00 0.77 0.00 0.00 66.41 65.35 3brb h THR 699 Cb 0.76 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 3brb h THR 699 CO -0.18 0.69 0.11 -0.07 0.37 0.00 0.00 175.52 176.45 3brb h LEU 700 N 0.32 0.19 -0.78 2.58 3.38 -0.56 -1.52 115.31 118.90 3brb h LEU 700 Ca -0.13 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3brb h LEU 700 Cb 1.69 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 3brb h LEU 700 CO 0.20 0.14 0.47 -0.07 0.09 0.00 0.00 178.44 179.27 3brb h LEU 701 N 0.23 0.74 -0.91 1.67 3.38 -0.97 -2.46 115.31 117.00 3brb h LEU 701 Ca 0.07 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3brb h LEU 701 Cb -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3brb h LEU 701 CO -0.03 0.48 0.58 0.50 0.09 0.00 0.00 178.44 180.06 3brb h LYS 702 N 0.87 1.09 -0.97 1.13 1.63 -0.75 0.13 116.57 119.71 3brb h LYS 702 Ca 0.34 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 3brb h LYS 702 Cb 0.16 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3brb h LYS 702 CO -0.17 0.72 0.64 0.74 -3.45 0.00 0.00 179.45 177.93 3brb h PHE 703 N 1.12 1.20 -0.24 1.91 0.04 -0.83 -1.49 116.94 118.66 3brb h PHE 703 Ca 0.37 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.98 3brb h PHE 703 Cb 0.03 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 37.78 3brb h PHE 703 CO -0.02 0.73 -0.57 0.52 -0.60 0.00 0.00 178.31 178.37 3brb h MET 704 N 1.27 0.81 -0.52 1.51 2.86 -1.01 -2.15 114.93 117.70 3brb h MET 704 Ca 0.37 -0.55 0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3brb h MET 704 Cb -0.08 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3brb h MET 704 CO -0.10 1.18 0.18 0.28 1.06 0.00 0.00 176.91 179.51 3brb h VAL 705 N 0.56 0.80 -0.41 -2.22 2.07 -0.76 0.12 116.25 116.41 3brb h VAL 705 Ca -0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3brb h VAL 705 Cb 1.19 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3brb h VAL 705 CO 0.12 0.06 0.18 0.44 0.02 0.00 0.00 177.57 178.40 3brb h ASP 706 N 0.36 0.24 -0.31 0.57 3.32 -1.15 0.19 116.42 119.64 3brb h ASP 706 Ca 0.26 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 3brb h ASP 706 Cb 0.29 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3brb h ASP 706 CO -0.27 0.18 -0.25 0.40 -1.72 0.00 0.00 179.24 177.58 3brb h ILE 707 N 0.37 1.30 -0.54 0.35 2.04 -1.03 -1.41 117.51 118.59 3brb h ILE 707 Ca 0.18 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3brb h ILE 707 Cb 0.12 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3brb h ILE 707 CO -0.15 0.45 0.31 0.00 0.00 0.00 0.00 178.15 178.76 3brb h ALA 708 N 0.73 0.70 -0.64 1.87 0.00 -0.41 -0.29 119.26 121.21 3brb h ALA 708 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3brb h ALA 708 Cb 0.81 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3brb h ALA 708 CO 0.07 0.00 0.41 -0.07 0.00 0.00 0.00 179.25 179.66 3brb h LEU 709 N 0.60 0.69 -0.51 0.00 3.38 -0.46 0.38 115.31 119.39 3brb h LEU 709 Ca 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3brb h LEU 709 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3brb h LEU 709 CO -0.12 0.49 0.17 1.23 0.09 0.00 0.00 178.44 180.29 3brb h GLY 710 N 0.82 0.84 1.93 0.83 0.00 -0.89 -1.78 103.07 104.81 3brb h GLY 710 Ca 0.25 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 3brb h GLY 710 CO -0.08 0.46 -0.74 -0.33 0.00 0.00 0.00 176.54 175.84 3brb h MET 711 N 0.69 0.07 -0.75 4.80 2.86 -0.89 -2.19 114.93 119.52 3brb h MET 711 Ca 0.16 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3brb h MET 711 Cb 0.26 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 3brb h MET 711 CO -0.01 0.78 0.46 1.49 1.06 0.00 0.00 176.91 180.69 3brb h GLU 712 N 0.04 0.85 0.03 1.72 4.81 -0.77 0.13 114.58 121.39 3brb h GLU 712 Ca -0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3brb h GLU 712 Cb 1.31 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3brb h GLU 712 CO 0.10 0.56 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.01 3brb h TYR 713 N 0.88 -0.04 -0.35 0.92 3.20 -1.04 0.66 116.97 121.20 3brb h TYR 713 Ca 0.31 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 3brb h TYR 713 Cb 0.08 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3brb h TYR 713 CO -0.04 0.05 0.05 -0.07 -1.64 0.00 0.00 178.16 176.50 3brb h LEU 714 N -0.11 0.57 -0.64 2.82 3.38 -1.20 -2.87 115.31 117.26 3brb h LEU 714 Ca -0.00 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.78 3brb h LEU 714 Cb 0.10 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3brb h LEU 714 CO 0.01 0.70 0.30 -1.28 0.09 0.00 0.00 178.44 178.25 3brb h SER 715 N 0.42 0.38 -0.05 -0.43 0.87 -0.67 -0.20 113.55 113.88 3brb h SER 715 Ca 0.11 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3brb h SER 715 Cb 0.37 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3brb h SER 715 CO 0.01 0.23 0.05 0.78 -0.53 0.00 0.00 176.83 177.37 3brb h ASN 716 N 0.53 0.00 -0.66 6.23 2.35 -0.65 0.54 115.58 123.92 3brb h ASN 716 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3brb h ASN 716 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3brb h ASN 716 CO -0.25 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.07 3brb n ARG 717 N -3.92 3.28 -3.57 0.81 1.74 -0.21 -4.95 116.66 109.84 3brb n ARG 717 Ca -0.02 -2.75 -0.27 0.00 -0.77 0.00 0.00 57.85 54.04 3brb n ARG 717 Cb 0.14 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 29.87 3brb n ARG 717 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3brb n ASN 718 N 1.26 -4.50 -4.37 0.55 3.02 0.18 -4.95 115.26 106.44 3brb n ASN 718 Ca 0.24 -0.56 -0.37 0.00 -0.03 0.00 0.00 54.58 53.87 3brb n ASN 718 Cb 0.76 -3.65 -0.13 0.00 -0.61 0.00 0.00 39.78 36.15 3brb n ASN 718 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3brb s PHE 719 N -3.13 3.11 0.25 3.10 2.19 -0.48 -5.01 117.98 118.02 3brb s PHE 719 Ca 0.51 -0.80 -0.29 0.00 0.33 0.00 0.00 56.93 56.67 3brb s PHE 719 Cb -0.26 -2.24 -0.09 0.00 -1.31 0.00 0.00 43.02 39.12 3brb s PHE 719 CO 0.63 -0.51 0.95 -0.51 1.83 0.00 0.00 175.22 177.61 3brb s LEU 720 N 1.54 4.60 -0.14 6.12 1.02 -1.26 -4.23 118.68 126.33 3brb s LEU 720 Ca 0.04 1.96 -0.14 0.00 0.02 0.00 0.00 54.13 56.01 3brb s LEU 720 Cb -0.16 -3.66 -0.12 0.00 0.02 0.00 0.00 46.19 42.27 3brb s LEU 720 CO 0.02 0.11 0.25 -0.74 0.02 0.00 0.00 176.35 176.01 3brb h HIS 721 N 4.00 0.00 0.00 0.29 2.76 -1.97 -3.40 115.15 116.83 3brb h HIS 721 Ca -0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 3brb h HIS 721 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 3brb h HIS 721 CO 0.61 0.54 0.00 0.54 -1.30 0.00 0.00 177.93 178.32 3brb n ARG 722 N -4.65 -0.16 -2.70 5.26 1.74 -1.26 -4.08 116.66 110.81 3brb n ARG 722 Ca -0.09 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 56.99 3brb n ARG 722 Cb 0.30 -3.33 0.11 0.00 -1.02 0.00 0.00 32.46 28.51 3brb n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3brb n ASP 723 N -0.08 -0.88 -4.73 0.55 2.03 -1.26 -5.10 116.55 107.08 3brb n ASP 723 Ca 0.00 -2.29 -0.41 0.00 0.52 0.00 0.00 54.79 52.61 3brb n ASP 723 Cb 0.04 0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 3brb n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3brb s LEU 724 N -3.77 4.48 -0.18 -2.67 2.96 -1.26 -4.81 118.68 113.43 3brb s LEU 724 Ca 0.16 1.91 -0.33 0.00 -0.22 0.00 0.00 54.13 55.66 3brb s LEU 724 Cb 0.42 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.66 3brb s LEU 724 CO -0.09 -0.16 1.17 0.00 -1.32 0.00 0.00 176.35 175.94 3brb s ALA 725 N 0.04 -2.03 0.41 5.97 0.00 -1.26 -4.78 121.76 120.11 3brb s ALA 725 Ca 0.49 1.59 0.17 0.00 0.00 0.00 0.00 51.96 54.21 3brb s ALA 725 Cb -0.26 -0.41 1.06 0.00 0.00 0.00 0.00 23.12 23.51 3brb s ALA 725 CO 0.31 -0.49 1.84 0.00 0.00 0.00 0.00 175.76 177.42 3brb h ALA 726 N 2.10 2.18 0.00 0.00 0.00 -1.94 0.59 119.26 122.19 3brb h ALA 726 Ca -0.12 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3brb h ALA 726 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3brb h ALA 726 CO 0.25 -0.48 -0.13 0.07 0.00 0.00 0.00 179.25 178.95 3brb h ARG 727 N 0.43 0.00 -0.60 0.00 0.11 -1.95 -2.61 114.38 109.77 3brb h ARG 727 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3brb h ARG 727 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3brb h ARG 727 CO -0.21 0.13 0.00 0.09 0.10 0.00 0.00 179.97 180.09 3brb n ASN 728 N -3.98 5.27 -4.35 0.08 5.03 0.19 -4.62 115.26 112.88 3brb n ASN 728 Ca -0.02 -2.73 -0.33 0.00 0.87 0.00 0.00 54.58 52.37 3brb n ASN 728 Cb 0.22 -0.64 -0.15 0.00 -1.02 0.00 0.00 39.78 38.20 3brb n ASN 728 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3brb s MET 730 N 0.24 1.90 -0.28 0.00 -1.94 0.56 -0.69 119.30 119.09 3brb s MET 730 Ca -0.10 -1.16 -0.12 0.00 -1.71 0.00 0.00 55.69 52.60 3brb s MET 730 Cb -0.16 -2.16 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 3brb s MET 730 CO 0.06 0.48 0.23 -0.51 -0.01 0.00 0.00 175.02 175.27 3brb s LEU 731 N -2.26 4.03 0.80 -0.03 1.43 -0.00 -1.08 118.68 121.56 3brb s LEU 731 Ca 0.20 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3brb s LEU 731 Cb -0.10 -2.19 0.07 0.00 0.03 0.00 0.00 46.19 44.00 3brb s LEU 731 CO 0.12 -0.07 1.09 -0.13 0.23 0.00 0.00 176.35 177.58 3brb s ARG 732 N 1.80 2.06 0.64 1.70 0.52 -0.24 -4.15 118.95 121.28 3brb s ARG 732 Ca 0.09 0.95 0.36 0.00 -0.52 0.00 0.00 55.73 56.61 3brb s ARG 732 Cb -0.16 -1.89 2.02 0.00 0.52 0.00 0.00 34.95 35.44 3brb s ARG 732 CO 0.11 -1.71 2.21 -0.44 0.02 0.00 0.00 175.30 175.48 3brb h ASP 733 N -1.17 0.00 -0.71 0.23 5.19 -1.97 0.50 116.42 118.48 3brb h ASP 733 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3brb h ASP 733 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3brb h ASP 733 CO 0.54 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.76 3brb n ASP 734 N -3.32 4.18 -0.04 6.45 5.75 -1.26 -4.95 116.55 123.36 3brb n ASP 734 Ca -0.02 -2.13 -0.01 0.00 -0.01 0.00 0.00 54.79 52.62 3brb n ASP 734 Cb 0.19 -0.52 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3brb n ASP 734 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3brb n MET 735 N 1.50 -0.68 -2.00 0.11 2.81 0.17 -5.01 117.12 114.02 3brb n MET 735 Ca 0.25 0.22 -0.41 0.00 -1.81 0.00 0.00 57.70 55.94 3brb n MET 735 Cb 0.70 -3.76 -0.02 0.00 -0.71 0.00 0.00 33.22 29.43 3brb n MET 735 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3brb s THR 736 N -1.69 2.65 0.00 2.03 2.01 -1.26 -4.77 115.64 114.61 3brb s THR 736 Ca 0.00 0.53 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 3brb s THR 736 Cb 0.00 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3brb s THR 736 CO 0.00 0.08 0.52 -0.69 -0.69 0.00 0.00 174.62 173.84 3brb s VAL 737 N 0.16 4.93 0.03 3.82 1.01 -1.26 -1.08 120.40 128.00 3brb s VAL 737 Ca 0.61 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.75 3brb s VAL 737 Cb -0.42 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3brb s VAL 737 CO 0.42 0.49 -0.19 0.00 0.00 0.00 0.00 175.10 175.81 3brb s VAL 739 N -0.74 4.22 0.31 0.00 -7.23 0.23 -0.32 120.40 116.88 3brb s VAL 739 Ca 0.07 1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 61.79 3brb s VAL 739 Cb -0.08 -3.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.07 3brb s VAL 739 CO 0.01 -0.08 0.45 0.00 -0.31 0.00 0.00 175.10 175.17 3brb s ALA 740 N -1.88 0.54 -1.31 1.32 0.00 0.27 -1.92 121.76 118.79 3brb s ALA 740 Ca 0.57 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3brb s ALA 740 Cb -0.15 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.12 3brb s ALA 740 CO 0.19 -0.79 0.03 -0.25 0.00 0.00 0.00 175.76 174.94 3brb n ASP 741 N -1.08 -4.64 -4.96 0.00 9.92 -1.26 -4.74 116.55 109.80 3brb n ASP 741 Ca 0.00 -0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 3brb n ASP 741 Cb 0.62 -3.76 -0.01 0.00 -0.64 0.00 0.00 41.12 37.33 3brb n ASP 741 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3brb s PHE 742 N -2.78 3.41 0.05 1.24 -0.12 -1.26 -4.71 117.98 113.81 3brb s PHE 742 Ca 0.01 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 3brb s PHE 742 Cb -0.01 -1.82 0.00 0.00 -0.63 0.00 0.00 43.02 40.56 3brb s PHE 742 CO 0.02 0.18 0.00 0.41 -0.05 0.00 0.00 175.22 175.78 3brb n GLY 743 N -1.66 -2.13 4.60 1.99 0.00 -1.26 -5.11 105.19 101.64 3brb n GLY 743 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3brb n GLY 743 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3brb n LEU 744 N -2.62 0.00 0.00 0.99 4.32 -1.26 -5.16 117.00 113.27 3brb n LEU 744 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3brb n LEU 744 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3brb n LEU 744 CO 0.00 0.00 0.00 -0.81 -1.22 0.00 0.00 177.39 175.36 3brb n PRO 763 N 0.00 0.00 -0.33 3.23 -0.04 -1.26 -5.22 135.00 131.39 3brb n PRO 763 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 3brb n PRO 763 Cb 0.00 0.00 0.37 0.00 -0.04 0.00 0.00 33.50 33.83 3brb n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3brb h VAL 764 N 0.00 0.47 0.00 0.52 2.07 -1.96 -0.77 116.25 116.58 3brb h VAL 764 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3brb h VAL 764 Cb 0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3brb h VAL 764 CO 0.00 0.08 0.00 0.29 0.02 0.00 0.00 177.57 177.96 3brb n LYS 765 N -4.98 0.22 0.00 1.57 5.02 -1.26 -1.98 118.16 116.75 3brb n LYS 765 Ca 0.26 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 3brb n LYS 765 Cb 0.75 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 3brb n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3brb n TRP 766 N -1.32 0.00 -3.39 2.13 8.01 -0.30 -4.98 117.44 117.60 3brb n TRP 766 Ca 0.08 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.89 3brb n TRP 766 Cb 0.15 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.38 3brb n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3brb s ILE 767 N -2.28 5.20 0.67 -0.99 1.01 -0.84 -3.88 121.20 120.09 3brb s ILE 767 Ca 0.15 0.70 -0.17 0.00 0.00 0.00 0.00 60.65 61.33 3brb s ILE 767 Cb 0.15 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3brb s ILE 767 CO 0.53 0.25 1.25 0.00 0.00 0.00 0.00 174.94 176.97 3brb s ALA 768 N 1.34 2.30 0.20 9.38 0.00 -1.26 -4.67 121.76 129.05 3brb s ALA 768 Ca 0.19 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 3brb s ALA 768 Cb -0.15 -3.51 0.26 0.00 0.00 0.00 0.00 23.12 19.72 3brb s ALA 768 CO 0.08 -1.65 1.71 -0.84 0.00 0.00 0.00 175.76 175.06 3brb h ILE 769 N 0.28 0.68 0.00 0.00 -0.00 -1.95 0.36 117.51 116.89 3brb h ILE 769 Ca -0.50 -0.09 -0.03 0.00 -0.00 0.00 0.00 64.86 64.24 3brb h ILE 769 Cb 1.32 0.39 -0.00 0.00 -0.00 0.00 0.00 36.82 38.52 3brb h ILE 769 CO 0.52 0.05 -0.15 1.05 -0.00 0.00 0.00 178.15 179.62 3brb h GLU 770 N 0.27 0.00 0.00 0.16 9.09 -1.90 -2.27 114.58 119.92 3brb h GLU 770 Ca 0.29 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.61 3brb h GLU 770 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3brb h GLU 770 CO -0.37 0.15 -0.72 0.77 0.05 0.00 0.00 179.01 178.89 3brb h SER 771 N 0.00 0.00 -0.40 3.06 0.02 -1.12 -2.68 113.55 112.44 3brb h SER 771 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3brb h SER 771 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3brb h SER 771 CO 0.02 0.39 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.73 3brb h LEU 772 N 0.00 0.96 -0.08 5.07 4.07 -0.70 -2.60 115.31 122.03 3brb h LEU 772 Ca -0.04 -0.44 -0.25 0.00 0.08 0.00 0.00 57.88 57.23 3brb h LEU 772 Cb 1.34 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.82 3brb h LEU 772 CO 0.04 1.20 -1.00 0.00 -1.08 0.00 0.00 178.44 177.60 3brb h ALA 773 N 0.79 0.24 0.00 1.53 0.00 -1.48 -3.41 119.26 116.94 3brb h ALA 773 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3brb h ALA 773 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3brb h ALA 773 CO 0.08 0.76 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 3brb n ASP 774 N -3.79 0.30 0.00 0.00 5.68 -1.01 -5.02 116.55 112.70 3brb n ASP 774 Ca -0.09 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 3brb n ASP 774 Cb 0.86 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 3brb n ASP 774 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3brb n ARG 775 N -0.05 0.00 -0.98 0.11 5.12 -0.98 -4.97 116.66 114.92 3brb n ARG 775 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 3brb n ARG 775 Cb 0.33 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 3brb n ARG 775 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3brb n VAL 776 N -1.63 0.79 -3.66 1.55 0.31 -1.26 -4.93 118.33 109.50 3brb n VAL 776 Ca 0.00 -0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 3brb n VAL 776 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3brb n VAL 776 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3brb s TYR 777 N -0.40 -0.52 0.33 3.52 5.04 -1.26 -4.06 117.35 120.01 3brb s TYR 777 Ca 0.51 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 3brb s TYR 777 Cb -0.73 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.63 3brb s TYR 777 CO 0.38 -0.39 0.04 0.25 -1.34 0.00 0.00 175.55 174.50 3brb n THR 778 N 5.34 0.00 0.30 4.34 -2.24 -1.26 -4.97 114.28 115.79 3brb n THR 778 Ca -0.07 -1.68 0.18 0.00 -2.27 0.00 0.00 64.05 60.20 3brb n THR 778 Cb 0.50 0.44 1.00 0.00 -2.10 0.00 0.00 70.33 70.17 3brb n THR 778 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3brb h SER 779 N 0.97 0.00 1.00 3.42 4.64 -2.00 -1.17 113.55 120.41 3brb h SER 779 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 3brb h SER 779 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3brb h SER 779 CO 0.44 0.00 -0.45 0.11 -0.87 0.00 0.00 176.83 176.06 3brb h LYS 780 N 0.00 0.00 -0.20 4.77 1.79 -1.94 -0.24 116.57 120.75 3brb h LYS 780 Ca 0.01 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.29 3brb h LYS 780 Cb 0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3brb h LYS 780 CO -0.00 0.45 -0.62 0.77 -1.08 0.00 0.00 179.45 178.97 3brb h SER 781 N 0.00 0.80 -0.74 0.86 0.02 -1.60 -2.44 113.55 110.45 3brb h SER 781 Ca -0.00 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 3brb h SER 781 Cb 1.07 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3brb h SER 781 CO 0.06 1.22 0.34 0.44 -1.14 0.00 0.00 176.83 177.75 3brb h ASP 782 N 0.52 0.97 -0.49 3.07 3.32 -1.20 -2.04 116.42 120.58 3brb h ASP 782 Ca -0.01 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.96 3brb h ASP 782 Cb 1.21 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 3brb h ASP 782 CO 0.12 0.84 0.19 0.58 -1.72 0.00 0.00 179.24 179.25 3brb h VAL 783 N 1.04 0.86 -0.17 -1.35 2.07 -0.92 -0.04 116.25 117.73 3brb h VAL 783 Ca 0.25 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.69 3brb h VAL 783 Cb 0.14 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3brb h VAL 783 CO -0.03 0.07 -0.17 -0.25 0.02 0.00 0.00 177.57 177.20 3brb h TRP 784 N 0.37 -0.45 -0.50 1.57 2.91 -1.11 -1.32 115.95 117.44 3brb h TRP 784 Ca 0.23 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.28 3brb h TRP 784 Cb 0.22 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 3brb h TRP 784 CO -0.15 -0.25 0.32 0.00 -1.03 0.00 0.00 178.44 177.33 3brb h ALA 785 N 0.87 1.62 -0.72 2.65 0.00 -0.90 -0.78 119.26 122.00 3brb h ALA 785 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3brb h ALA 785 Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3brb h ALA 785 CO -0.29 0.34 0.20 0.35 0.00 0.00 0.00 179.25 179.86 3brb h PHE 786 N 0.68 1.17 -0.48 0.00 3.57 -0.51 -0.91 116.94 120.47 3brb h PHE 786 Ca 0.18 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3brb h PHE 786 Cb -0.06 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.31 3brb h PHE 786 CO 0.00 0.94 0.28 0.78 -2.23 0.00 0.00 178.31 178.07 3brb h GLY 787 N 1.10 0.68 1.01 2.40 0.00 -0.02 0.69 103.07 108.92 3brb h GLY 787 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3brb h GLY 787 CO -0.00 0.16 0.47 -2.08 0.00 0.00 0.00 176.54 175.09 3brb h VAL 788 N 0.55 1.20 -0.64 4.60 2.07 -1.09 -2.12 116.25 120.82 3brb h VAL 788 Ca 0.20 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3brb h VAL 788 Cb 0.04 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3brb h VAL 788 CO -0.10 0.20 0.41 0.74 0.02 0.00 0.00 177.57 178.83 3brb h THR 789 N 1.00 1.12 -0.69 2.57 2.02 -0.69 0.12 112.91 118.36 3brb h THR 789 Ca 0.27 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3brb h THR 789 Cb -0.08 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3brb h THR 789 CO -0.05 0.15 0.46 0.24 0.37 0.00 0.00 175.52 176.68 3brb h MET 790 N 0.82 0.61 -0.10 6.66 2.86 -0.59 -1.57 114.93 123.62 3brb h MET 790 Ca 0.25 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3brb h MET 790 Cb -0.04 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.49 3brb h MET 790 CO -0.08 0.40 -0.19 2.35 1.06 0.00 0.00 176.91 180.46 3brb h TRP 791 N 0.63 0.38 -1.00 -0.22 7.01 -0.50 -0.15 115.95 122.09 3brb h TRP 791 Ca 0.31 -0.14 0.20 0.00 2.11 0.00 0.00 58.89 61.38 3brb h TRP 791 Cb 0.39 -0.07 -0.10 0.00 -2.10 0.00 0.00 29.16 27.28 3brb h TRP 791 CO -0.00 0.79 0.61 0.93 -2.79 0.00 0.00 178.44 177.99 3brb h GLU 792 N -0.15 0.66 0.01 2.65 5.08 -0.45 -0.94 114.58 121.44 3brb h GLU 792 Ca 0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3brb h GLU 792 Cb 0.77 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.89 3brb h GLU 792 CO 0.04 0.44 -0.71 0.82 -1.00 0.00 0.00 179.01 178.60 3brb h ILE 793 N 0.68 1.40 0.00 3.13 2.04 -0.90 -0.01 117.51 123.86 3brb h ILE 793 Ca 0.57 -2.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 3brb h ILE 793 Cb 1.01 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 3brb h ILE 793 CO -0.36 0.63 -0.37 0.00 0.00 0.00 0.00 178.15 178.05 3brb h ALA 794 N 0.31 1.01 -0.16 1.87 0.00 -0.59 -2.05 119.26 119.66 3brb h ALA 794 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3brb h ALA 794 Cb 1.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3brb h ALA 794 CO 0.14 0.47 0.00 0.25 0.00 0.00 0.00 179.25 180.11 3brb n THR 795 N -3.56 0.20 -3.76 0.00 -2.24 -0.40 -4.95 114.28 99.57 3brb n THR 795 Ca -0.00 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 3brb n THR 795 Cb 0.50 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3brb n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3brb n ARG 796 N 0.36 -5.52 0.00 -0.78 1.74 -0.77 -3.88 116.66 107.81 3brb n ARG 796 Ca 0.16 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3brb n ARG 796 Cb 0.34 -5.40 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3brb n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3brb n GLY 797 N -1.64 1.08 3.75 -0.13 0.00 -0.05 -3.84 105.19 104.36 3brb n GLY 797 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3brb n GLY 797 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3brb s MET 798 N -0.72 3.22 0.17 1.61 -1.94 -1.25 -4.96 119.30 115.43 3brb s MET 798 Ca 0.00 2.11 -0.30 0.00 -1.71 0.00 0.00 55.69 55.78 3brb s MET 798 Cb 0.00 -2.24 -0.08 0.00 2.01 0.00 0.00 34.83 34.51 3brb s MET 798 CO 0.00 -1.08 1.30 0.99 -0.01 0.00 0.00 175.02 176.21 3brb s THR 799 N -1.38 3.36 0.53 2.05 2.01 -1.26 -4.72 115.64 116.24 3brb s THR 799 Ca 0.71 1.08 -0.21 0.00 0.31 0.00 0.00 61.69 63.58 3brb s THR 799 Cb -0.37 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 3brb s THR 799 CO 0.44 0.14 1.15 -2.65 -0.69 0.00 0.00 174.62 173.01 3brb n PRO 800 N 2.97 1.37 -3.51 4.92 -0.02 -1.26 -3.95 135.00 135.53 3brb n PRO 800 Ca 0.07 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 3brb n PRO 800 Cb 0.43 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3brb n PRO 800 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3brb n TYR 801 N -1.13 -2.14 -1.67 6.00 4.02 -1.26 -4.93 117.16 116.05 3brb n TYR 801 Ca 0.11 0.62 -0.42 0.00 -0.01 0.00 0.00 57.90 58.19 3brb n TYR 801 Cb 0.44 -3.71 -0.00 0.00 -0.02 0.00 0.00 39.34 36.05 3brb n TYR 801 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3brb n PRO 802 N -3.79 1.88 -0.27 -0.72 -0.04 -1.25 -1.64 135.00 129.16 3brb n PRO 802 Ca -0.08 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3brb n PRO 802 Cb 0.60 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3brb n PRO 802 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3brb n GLY 803 N 0.89 2.35 3.54 0.55 0.00 -1.26 -5.01 105.19 106.25 3brb n GLY 803 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3brb n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3brb s VAL 804 N -3.24 3.98 0.31 1.61 1.01 -0.65 -5.12 120.40 118.29 3brb s VAL 804 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3brb s VAL 804 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3brb s VAL 804 CO 0.00 0.52 0.59 -1.10 0.00 0.00 0.00 175.10 175.11 3brb s GLN 805 N 0.08 3.66 0.22 2.72 -0.21 -1.26 -4.95 119.66 119.91 3brb s GLN 805 Ca 0.00 0.09 -0.11 0.00 0.02 0.00 0.00 55.36 55.37 3brb s GLN 805 Cb -0.13 -2.60 0.30 0.00 1.00 0.00 0.00 33.01 31.58 3brb s GLN 805 CO 0.03 0.17 1.66 -0.91 -2.12 0.00 0.00 175.29 174.11 3brb h ASN 806 N 1.60 -0.30 0.37 5.90 2.35 -2.00 -0.92 115.58 122.58 3brb h ASN 806 Ca -0.48 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3brb h ASN 806 Cb 1.19 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3brb h ASN 806 CO 0.66 -0.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.31 3brb n HIS 807 N -5.29 0.68 1.16 1.19 1.44 -1.26 -1.72 115.22 111.41 3brb n HIS 807 Ca 0.09 0.31 0.12 0.00 -2.01 0.00 0.00 57.72 56.23 3brb n HIS 807 Cb 0.36 -0.99 0.24 0.00 0.12 0.00 0.00 29.99 29.72 3brb n HIS 807 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3brb n GLU 808 N -2.15 1.02 -0.12 -1.40 1.02 -0.35 -4.61 120.64 114.04 3brb n GLU 808 Ca 0.01 -0.71 -0.11 0.00 -0.02 0.00 0.00 57.16 56.33 3brb n GLU 808 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3brb n GLU 808 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3brb h MET 809 N 1.73 0.61 -0.07 3.49 2.86 -1.32 -1.00 114.93 121.23 3brb h MET 809 Ca 0.00 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3brb h MET 809 Cb 0.60 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3brb h MET 809 CO 0.00 0.72 -0.05 -0.92 1.06 0.00 0.00 176.91 177.72 3brb h TYR 810 N 0.42 -0.13 -0.67 -0.22 5.03 -1.81 -0.91 116.97 118.68 3brb h TYR 810 Ca 0.10 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 3brb h TYR 810 Cb 0.44 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 3brb h TYR 810 CO 0.04 -0.08 0.22 -0.44 -1.32 0.00 0.00 178.16 176.57 3brb h ASP 811 N -0.06 0.95 -0.67 -2.11 3.32 -1.85 0.27 116.42 116.27 3brb h ASP 811 Ca 0.05 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3brb h ASP 811 Cb 0.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3brb h ASP 811 CO -0.11 0.88 0.44 0.22 -1.72 0.00 0.00 179.24 178.95 3brb h TYR 812 N 0.99 0.86 0.00 4.55 3.20 -0.87 -2.33 116.97 123.37 3brb h TYR 812 Ca 0.22 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.84 3brb h TYR 812 Cb 0.27 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 38.27 3brb h TYR 812 CO 0.02 0.55 -1.04 -0.07 -1.64 0.00 0.00 178.16 175.97 3brb h LEU 813 N 0.91 0.91 -1.92 2.82 3.38 -0.77 -2.76 115.31 117.89 3brb h LEU 813 Ca 0.25 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3brb h LEU 813 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3brb h LEU 813 CO -0.05 1.54 0.11 0.25 0.09 0.00 0.00 178.44 180.37 3brb h LEU 814 N 0.39 0.10 0.00 1.67 5.85 -0.41 0.97 115.31 123.88 3brb h LEU 814 Ca -0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3brb h LEU 814 Cb 1.70 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3brb h LEU 814 CO 0.21 0.07 0.00 1.41 -0.34 0.00 0.00 178.44 179.78 3brb n HIS 815 N -4.51 0.00 -0.57 1.25 8.25 -0.88 -4.89 115.22 113.86 3brb n HIS 815 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3brb n HIS 815 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3brb n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3brb n GLY 816 N 0.72 0.77 3.78 -1.41 0.00 0.34 -5.05 105.19 104.33 3brb n GLY 816 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3brb n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3brb s HIS 817 N -2.82 3.32 0.21 1.61 3.76 -1.05 -5.02 115.29 115.29 3brb s HIS 817 Ca 0.00 1.66 -0.00 0.00 -0.15 0.00 0.00 55.06 56.56 3brb s HIS 817 Cb 0.00 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 3brb s HIS 817 CO 0.00 -0.57 0.14 1.03 -0.85 0.00 0.00 174.74 174.49 3brb s ARG 818 N -2.39 1.24 0.24 1.40 1.81 -1.26 -4.39 118.95 115.60 3brb s ARG 818 Ca 0.56 -1.66 -0.30 0.00 -1.72 0.00 0.00 55.73 52.61 3brb s ARG 818 Cb -0.23 0.26 -0.14 0.00 -0.45 0.00 0.00 34.95 34.39 3brb s ARG 818 CO 0.28 -0.40 1.21 1.28 -0.68 0.00 0.00 175.30 176.99 3brb n LEU 819 N -0.29 2.30 -4.82 2.53 4.77 -1.26 -4.94 117.00 115.28 3brb n LEU 819 Ca 0.02 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.83 3brb n LEU 819 Cb 0.66 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 3brb n LEU 819 CO 0.33 -0.99 0.65 -0.54 -1.33 0.00 0.00 177.39 175.51 3brb s LYS 820 N -0.89 4.19 0.12 3.23 1.02 -1.26 -4.98 119.74 121.17 3brb s LYS 820 Ca 0.65 1.11 -0.31 0.00 0.02 0.00 0.00 55.97 57.44 3brb s LYS 820 Cb -0.72 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 34.33 3brb s LYS 820 CO 0.55 -0.06 1.66 -1.14 -0.92 0.00 0.00 175.35 175.44 3brb s GLN 821 N -3.27 4.19 0.63 1.68 0.74 -1.26 -4.95 119.66 117.41 3brb s GLN 821 Ca 0.62 2.41 -0.18 0.00 0.05 0.00 0.00 55.36 58.26 3brb s GLN 821 Cb -0.09 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 3brb s GLN 821 CO 0.15 -0.71 1.13 -2.30 -0.55 0.00 0.00 175.29 173.00 3brb n PRO 822 N 4.94 0.99 -0.02 1.67 -0.02 -1.26 -4.92 135.00 136.38 3brb n PRO 822 Ca 0.16 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 3brb n PRO 822 Cb 0.39 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3brb n PRO 822 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3brb h GLU 823 N 0.48 -0.18 -0.67 -0.52 4.81 -1.95 -2.96 114.58 113.60 3brb h GLU 823 Ca -0.50 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3brb h GLU 823 Cb 1.35 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.77 3brb h GLU 823 CO 0.52 -0.12 0.00 -0.25 -0.73 0.00 0.00 179.01 178.42 3brb n ASP 824 N -5.32 4.20 -4.71 1.04 10.43 -1.26 -4.95 116.55 115.98 3brb n ASP 824 Ca -0.02 -2.27 -0.37 0.00 2.57 0.00 0.00 54.79 54.71 3brb n ASP 824 Cb 0.23 -0.53 -0.07 0.00 1.84 0.00 0.00 41.12 42.59 3brb n ASP 824 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3brb n LEU 826 N 3.78 1.34 -0.32 0.00 4.77 -1.26 -4.77 117.00 120.54 3brb n LEU 826 Ca -0.12 1.14 0.12 0.00 -0.03 0.00 0.00 56.01 57.12 3brb n LEU 826 Cb 0.52 -1.19 0.30 0.00 -2.33 0.00 0.00 43.42 40.71 3brb n LEU 826 CO 0.39 -1.40 1.13 0.44 -1.33 0.00 0.00 177.39 176.62 3brb h ASP 827 N 3.23 0.59 -0.86 -1.43 3.32 -1.98 -0.87 116.42 118.42 3brb h ASP 827 Ca -0.43 0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.74 3brb h ASP 827 Cb 1.35 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3brb h ASP 827 CO 0.69 0.17 0.57 -0.33 -1.72 0.00 0.00 179.24 178.62 3brb h GLU 828 N 0.61 1.14 -0.17 3.56 3.07 -2.00 -0.10 114.58 120.69 3brb h GLU 828 Ca 0.55 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.21 3brb h GLU 828 Cb 0.91 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3brb h GLU 828 CO -0.42 0.76 -0.40 1.25 -1.40 0.00 0.00 179.01 178.80 3brb h LEU 829 N 1.17 0.63 -0.90 1.33 5.85 -1.55 -2.91 115.31 118.93 3brb h LEU 829 Ca 0.32 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3brb h LEU 829 Cb -0.13 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 3brb h LEU 829 CO -0.07 1.09 0.57 0.22 -0.34 0.00 0.00 178.44 179.92 3brb h TYR 830 N 0.21 1.07 -0.81 1.25 3.20 -0.93 -2.17 116.97 118.79 3brb h TYR 830 Ca -0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3brb h TYR 830 Cb 1.00 -0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 3brb h TYR 830 CO 0.10 0.57 0.48 0.93 -1.64 0.00 0.00 178.16 178.59 3brb h GLU 831 N 1.07 0.82 0.23 1.82 5.08 -1.00 0.65 114.58 123.24 3brb h GLU 831 Ca 0.38 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3brb h GLU 831 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3brb h GLU 831 CO -0.16 0.54 -0.11 0.82 -1.00 0.00 0.00 179.01 179.11 3brb h ILE 832 N 0.84 0.82 -0.37 3.13 2.04 -1.25 -1.77 117.51 120.95 3brb h ILE 832 Ca 0.37 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 3brb h ILE 832 Cb 0.25 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3brb h ILE 832 CO -0.21 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 177.92 3brb h MET 833 N -0.41 0.62 -0.81 2.37 -0.00 -1.16 -3.06 114.93 112.48 3brb h MET 833 Ca -0.03 -0.17 -0.03 0.00 -0.00 0.00 0.00 59.70 59.46 3brb h MET 833 Cb 0.31 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 31.81 3brb h MET 833 CO 0.05 0.69 0.37 -0.92 -0.00 0.00 0.00 176.91 177.10 3brb h TYR 834 N 0.58 1.17 -0.13 -0.10 3.20 -0.76 -1.69 116.97 119.25 3brb h TYR 834 Ca 0.11 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3brb h TYR 834 Cb 0.47 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3brb h TYR 834 CO 0.02 0.86 0.12 0.66 -1.64 0.00 0.00 178.16 178.18 3brb h SER 835 N 1.15 0.00 0.68 -2.11 4.64 -1.21 -0.63 113.55 116.08 3brb h SER 835 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3brb h SER 835 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3brb h SER 835 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3brb n TRP 837 N -2.73 0.91 -1.82 0.00 8.01 -0.24 -3.61 117.44 117.95 3brb n TRP 837 Ca 0.00 -1.00 -0.39 0.00 -1.31 0.00 0.00 57.50 54.80 3brb n TRP 837 Cb 0.22 -0.33 0.03 0.00 -2.01 0.00 0.00 31.31 29.21 3brb n TRP 837 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3brb s ARG 838 N -2.90 3.45 0.04 -0.99 0.52 -1.20 -4.90 118.95 112.97 3brb s ARG 838 Ca 0.42 2.30 -0.24 0.00 -0.52 0.00 0.00 55.73 57.69 3brb s ARG 838 Cb 0.35 -2.47 -0.17 0.00 0.52 0.00 0.00 34.95 33.18 3brb s ARG 838 CO 0.07 -0.96 1.55 1.15 0.02 0.00 0.00 175.30 177.12 3brb h THR 839 N 1.90 1.15 -3.08 0.02 2.02 -1.95 -3.38 112.91 109.60 3brb h THR 839 Ca -0.51 -0.46 -0.57 0.00 0.77 0.00 0.00 66.41 65.64 3brb h THR 839 Cb 1.28 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 3brb h THR 839 CO 0.59 0.12 1.00 -0.62 0.37 0.00 0.00 175.52 176.98 3brb s ASP 840 N -5.39 6.62 0.32 4.18 -1.08 -1.26 -4.81 116.67 115.25 3brb s ASP 840 Ca -0.14 1.27 0.10 0.00 -0.52 0.00 0.00 52.55 53.26 3brb s ASP 840 Cb 0.04 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.89 3brb s ASP 840 CO 0.67 -1.11 1.71 1.55 0.52 0.00 0.00 175.17 178.50 3brb h PRO 841 N 9.55 0.50 0.00 4.34 0.13 -1.96 -0.44 132.00 144.12 3brb h PRO 841 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3brb h PRO 841 Cb 1.11 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3brb h PRO 841 CO 1.03 0.33 0.00 -0.07 -0.23 0.00 0.00 178.00 179.06 3brb h LEU 842 N 0.51 0.00 0.00 1.56 3.38 -1.93 -0.82 115.31 118.01 3brb h LEU 842 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 3brb h LEU 842 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3brb h LEU 842 CO -0.51 0.00 -0.42 0.47 0.09 0.00 0.00 178.44 178.07 3brb n ASP 843 N -2.30 0.58 -4.75 -0.43 10.43 -0.17 -4.89 116.55 115.01 3brb n ASP 843 Ca 0.00 0.15 -0.40 0.00 2.57 0.00 0.00 54.79 57.11 3brb n ASP 843 Cb 0.14 -0.06 -0.04 0.00 1.84 0.00 0.00 41.12 43.00 3brb n ASP 843 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3brb s ARG 844 N -3.09 4.59 0.79 -1.24 0.52 -0.32 -4.96 118.95 115.25 3brb s ARG 844 Ca 0.09 1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 57.02 3brb s ARG 844 Cb 0.15 -3.19 0.07 0.00 0.52 0.00 0.00 34.95 32.50 3brb s ARG 844 CO 0.67 0.13 1.14 -1.25 0.02 0.00 0.00 175.30 176.01 3brb s PRO 845 N -1.21 1.88 0.86 3.54 0.04 -1.26 -5.03 135.00 133.81 3brb s PRO 845 Ca 0.46 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 3brb s PRO 845 Cb -0.32 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.49 3brb s PRO 845 CO 0.41 -1.98 1.09 0.95 0.04 0.00 0.00 177.00 177.51 3brb s THR 846 N -2.49 2.87 0.49 1.26 -4.23 -1.26 -4.91 115.64 107.36 3brb s THR 846 Ca 0.67 0.28 0.19 0.00 -1.18 0.00 0.00 61.69 61.65 3brb s THR 846 Cb -0.23 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.06 3brb s THR 846 CO 0.52 -0.37 2.09 -0.26 -0.54 0.00 0.00 174.62 176.06 3brb h PHE 847 N -1.40 0.00 -0.13 3.99 0.04 -1.94 -2.07 116.94 115.44 3brb h PHE 847 Ca -0.48 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.18 3brb h PHE 847 Cb 1.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 3brb h PHE 847 CO 0.46 0.09 -0.43 0.66 -0.60 0.00 0.00 178.31 178.50 3brb h SER 848 N 0.00 0.32 -0.02 2.17 4.64 -1.92 -0.69 113.55 118.05 3brb h SER 848 Ca -0.00 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3brb h SER 848 Cb 0.18 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3brb h SER 848 CO 0.01 0.71 -0.00 0.58 -0.87 0.00 0.00 176.83 177.26 3brb h VAL 849 N 0.25 1.26 -0.59 0.95 2.07 -1.87 -2.94 116.25 115.38 3brb h VAL 849 Ca 0.02 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3brb h VAL 849 Cb 0.86 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3brb h VAL 849 CO 0.07 0.20 0.39 -0.07 0.02 0.00 0.00 177.57 178.18 3brb h LEU 850 N -0.28 0.66 -0.55 2.57 3.38 -1.33 -1.04 115.31 118.73 3brb h LEU 850 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3brb h LEU 850 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3brb h LEU 850 CO 0.00 0.48 0.13 -0.09 0.09 0.00 0.00 178.44 179.05 3brb h ARG 851 N 0.79 0.88 -0.51 1.13 1.12 -1.18 -0.86 114.38 115.74 3brb h ARG 851 Ca 0.22 -0.21 -0.12 0.00 -1.11 0.00 0.00 59.98 58.76 3brb h ARG 851 Cb -0.07 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.76 3brb h ARG 851 CO -0.06 0.82 -0.14 1.25 -3.11 0.00 0.00 179.97 178.74 3brb h LEU 852 N 0.77 0.99 -0.60 3.80 5.85 -1.32 -1.63 115.31 123.18 3brb h LEU 852 Ca 0.17 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3brb h LEU 852 Cb 0.34 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3brb h LEU 852 CO 0.00 1.12 0.35 1.56 -0.34 0.00 0.00 178.44 181.14 3brb h GLN 853 N 0.87 0.67 -0.35 1.25 4.20 -0.67 -0.79 115.11 120.29 3brb h GLN 853 Ca 0.13 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3brb h GLN 853 Cb 0.70 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3brb h GLN 853 CO 0.05 0.44 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.29 3brb h LEU 854 N 0.69 0.87 -0.39 1.46 3.38 -1.05 -1.37 115.31 118.90 3brb h LEU 854 Ca 0.25 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3brb h LEU 854 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3brb h LEU 854 CO -0.12 1.14 0.14 -0.33 0.09 0.00 0.00 178.44 179.36 3brb h GLU 855 N 0.61 0.29 -0.55 1.13 5.08 -1.23 0.89 114.58 120.80 3brb h GLU 855 Ca 0.06 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3brb h GLU 855 Cb 0.87 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3brb h GLU 855 CO 0.08 0.19 0.07 -0.22 -1.00 0.00 0.00 179.01 178.12 3brb h LYS 856 N 0.30 0.93 -0.35 2.33 1.63 -1.06 -0.41 116.57 119.94 3brb h LYS 856 Ca 0.18 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3brb h LYS 856 Cb 0.16 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3brb h LYS 856 CO -0.18 0.91 0.18 1.25 -3.45 0.00 0.00 179.45 178.16 3brb h LEU 857 N 0.82 0.45 -0.79 5.20 5.85 -0.90 -2.44 115.31 123.49 3brb h LEU 857 Ca 0.17 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3brb h LEU 857 Cb 0.44 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3brb h LEU 857 CO 0.02 0.42 0.36 0.25 -0.34 0.00 0.00 178.44 179.15 3brb h LEU 858 N 0.43 1.05 -1.98 2.25 5.85 -0.58 -2.57 115.31 119.77 3brb h LEU 858 Ca 0.12 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3brb h LEU 858 Cb 0.09 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3brb h LEU 858 CO -0.02 0.91 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.63 3brb h GLU 859 N 1.13 0.00 0.00 1.25 4.39 -0.87 -2.60 114.58 117.88 3brb h GLU 859 Ca 0.27 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 3brb h GLU 859 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3brb h GLU 859 CO -0.03 0.03 -0.40 0.66 -1.16 0.00 0.00 179.01 178.11 3brb h SER 860 N 0.00 0.00 -3.92 1.42 4.64 -1.01 -3.46 113.55 111.22 3brb h SER 860 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3brb h SER 860 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3brb h SER 860 CO 0.00 0.40 0.41 -0.76 -0.87 0.00 0.00 176.83 176.02 3brb s LEU 861 N -6.56 4.25 0.59 5.97 1.43 -0.98 -5.02 118.68 118.36 3brb s LEU 861 Ca 0.03 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 3brb s LEU 861 Cb 0.08 -4.05 -0.08 0.00 0.03 0.00 0.00 46.19 42.18 3brb s LEU 861 CO 0.71 -0.35 0.57 -2.65 0.23 0.00 0.00 176.35 174.86 3brb n PRO 862 N 0.28 0.52 0.00 1.29 -0.02 -1.26 -5.05 135.00 130.76 3brb n PRO 862 Ca 0.03 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 3brb n PRO 862 Cb 0.49 -1.76 0.38 0.00 -0.02 0.00 0.00 33.50 32.58 3brb n PRO 862 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01