#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb s ALA 579 N 0.00 3.54 -0.06 0.62 0.00 -1.26 -4.96 121.76 119.64 2kvb s ALA 579 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 2kvb s ALA 579 Cb 0.00 -2.62 -0.21 0.00 0.00 0.00 0.00 23.12 20.29 2kvb s ALA 579 CO 0.00 0.21 1.07 1.49 0.00 0.00 0.00 175.76 178.54 2kvb h GLU 580 N 5.65 -0.02 0.00 0.00 4.22 -2.07 -3.47 114.58 118.89 2kvb h GLU 580 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2kvb h GLU 580 Cb 1.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kvb h GLU 580 CO 0.69 0.61 0.00 0.00 -2.18 0.00 0.00 179.01 178.13 2kvb n ALA 581 N -2.45 0.77 -0.71 2.92 0.00 -1.26 -5.16 120.51 114.63 2kvb n ALA 581 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kvb n ALA 581 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2kvb n ALA 581 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kvb n GLU 582 N -1.98 0.00 -0.65 0.00 1.02 -1.26 -5.01 120.64 112.76 2kvb n GLU 582 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kvb n GLU 582 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2kvb n GLU 582 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2kvb n PHE 583 N -1.34 -1.78 1.23 -0.32 3.72 -1.26 -4.37 117.46 113.33 2kvb n PHE 583 Ca 0.00 0.95 0.13 0.00 -0.05 0.00 0.00 57.45 58.49 2kvb n PHE 583 Cb 0.00 -1.97 0.50 0.00 -0.94 0.00 0.00 39.48 37.07 2kvb n PHE 583 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kvb n LEU 584 N -1.17 0.48 -0.64 4.37 4.77 -1.26 -2.91 117.00 120.64 2kvb n LEU 584 Ca 0.00 0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2kvb n LEU 584 Cb 0.04 -0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.08 2kvb n LEU 584 CO 0.00 0.10 0.58 -1.54 -1.33 0.00 0.00 177.39 175.20 2kvb n SER 585 N -1.12 2.18 -4.48 -1.43 3.41 -1.26 -4.93 113.62 105.99 2kvb n SER 585 Ca 0.11 -1.62 -0.25 0.00 -0.26 0.00 0.00 58.87 56.85 2kvb n SER 585 Cb 0.31 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 2kvb n SER 585 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kvb s ARG 586 N -2.21 1.73 -0.00 4.33 0.52 -1.15 -1.01 118.95 121.16 2kvb s ARG 586 Ca 0.27 -1.59 0.03 0.00 -0.52 0.00 0.00 55.73 53.92 2kvb s ARG 586 Cb 0.20 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2kvb s ARG 586 CO 0.42 0.37 -0.10 -0.08 0.02 0.00 0.00 175.30 175.93 2kvb s THR 587 N -2.09 0.75 -0.18 0.02 -1.32 -0.34 -4.84 115.64 107.64 2kvb s THR 587 Ca 0.26 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.23 2kvb s THR 587 Cb -0.07 -0.64 -0.02 0.00 -1.51 0.00 0.00 72.50 70.26 2kvb s THR 587 CO 0.14 0.16 -0.03 -0.70 -2.21 0.00 0.00 174.62 171.97 2kvb s GLU 588 N -0.36 3.60 0.61 7.08 2.56 -1.26 -1.62 118.70 129.30 2kvb s GLU 588 Ca 0.03 -0.54 0.05 0.00 0.00 0.00 0.00 54.97 54.51 2kvb s GLU 588 Cb -0.04 -2.96 0.11 0.00 2.00 0.00 0.00 34.13 33.23 2kvb s GLU 588 CO -0.00 0.11 0.83 0.41 -0.56 0.00 0.00 175.26 176.05 2kvb n GLY 589 N 3.92 1.44 1.01 -1.50 0.00 0.20 -4.97 105.19 105.30 2kvb n GLY 589 Ca -0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2kvb n GLY 589 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvb n ASP 590 N -2.58 0.59 -4.75 1.61 2.03 -1.26 -4.06 116.55 108.12 2kvb n ASP 590 Ca 0.16 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.26 2kvb n ASP 590 Cb 0.56 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.05 2kvb n ASP 590 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kvb n ASN 591 N -2.73 1.77 -0.57 1.67 5.15 -1.25 -3.93 115.26 115.36 2kvb n ASN 591 Ca 0.00 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 2kvb n ASN 591 Cb 0.36 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kvb s THR 593 N -0.77 1.66 -0.04 0.00 -4.23 -1.26 -1.46 115.64 109.53 2kvb s THR 593 Ca 0.00 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2kvb s THR 593 Cb 0.00 -1.46 -0.00 0.00 1.34 0.00 0.00 72.50 72.38 2kvb s THR 593 CO 0.00 0.14 -0.14 0.54 -0.54 0.00 0.00 174.62 174.61 2kvb s VAL 594 N -0.89 1.21 -0.09 2.29 0.11 0.27 -4.37 120.40 118.93 2kvb s VAL 594 Ca 0.07 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2kvb s VAL 594 Cb -0.09 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2kvb s VAL 594 CO 0.02 0.36 -0.16 0.12 -3.33 0.00 0.00 175.10 172.11 2kvb s PHE 595 N 0.09 1.88 -0.23 1.54 5.36 -1.26 -0.16 117.98 125.20 2kvb s PHE 595 Ca -0.03 -0.78 -0.06 0.00 -0.96 0.00 0.00 56.93 55.09 2kvb s PHE 595 Cb -0.10 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.22 2kvb s PHE 595 CO 0.02 -0.38 0.02 0.34 -1.46 0.00 0.00 175.22 173.76 2kvb s ASP 596 N 0.71 4.83 0.48 6.13 -1.08 -1.06 -4.83 116.67 121.84 2kvb s ASP 596 Ca -0.13 -0.26 0.27 0.00 -0.52 0.00 0.00 52.55 51.92 2kvb s ASP 596 Cb -0.16 -1.85 1.08 0.00 -1.46 0.00 0.00 42.92 40.53 2kvb s ASP 596 CO 0.03 -0.01 1.89 0.77 0.52 0.00 0.00 175.17 178.37 2kvb h SER 597 N 8.04 0.00 0.69 -0.34 4.64 -1.96 0.24 113.55 124.87 2kvb h SER 597 Ca -0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 2kvb h SER 597 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2kvb h SER 597 CO 0.59 0.14 -1.21 0.06 -0.87 0.00 0.00 176.83 175.54 2kvb h GLN 598 N 0.00 0.23 0.00 4.77 3.07 -1.94 -3.26 115.11 117.98 2kvb h GLN 598 Ca -0.00 -0.39 -0.09 0.00 0.09 0.00 0.00 58.65 58.26 2kvb h GLN 598 Cb 0.65 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.35 2kvb h GLN 598 CO 0.02 1.19 -1.07 0.00 0.09 0.00 0.00 178.83 179.05 2kvb h ALA 599 N 0.64 0.62 -0.55 0.06 0.00 -1.93 -3.47 119.26 114.63 2kvb h ALA 599 Ca -0.12 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 2kvb h ALA 599 Cb 1.94 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 2kvb h ALA 599 CO 0.19 0.48 -0.22 0.41 0.00 0.00 0.00 179.25 180.11 2kvb n GLY 600 N 1.28 1.27 3.08 0.00 0.00 0.82 -5.00 105.19 106.64 2kvb n GLY 600 Ca -0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 2kvb n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 601 N -2.41 0.92 -0.01 1.61 0.08 -1.20 -5.01 117.98 111.96 2kvb s PHE 601 Ca 0.00 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2kvb s PHE 601 Cb 0.00 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2kvb s PHE 601 CO 0.00 -0.01 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.55 2kvb s SER 602 N -0.87 4.94 -0.07 1.36 1.04 -1.26 -2.56 113.70 116.26 2kvb s SER 602 Ca -0.00 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 2kvb s SER 602 Cb -0.06 -1.25 0.03 0.00 0.10 0.00 0.00 66.02 64.83 2kvb s SER 602 CO 0.00 0.30 -0.02 -0.36 0.98 0.00 0.00 173.24 174.14 2kvb s PHE 603 N -1.02 0.85 -0.27 5.02 0.08 0.78 -5.00 117.98 118.42 2kvb s PHE 603 Ca 0.18 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 2kvb s PHE 603 Cb -0.11 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2kvb s PHE 603 CO 0.08 -0.34 0.35 0.16 -0.10 0.00 0.00 175.22 175.36 2kvb s ASP 604 N 1.73 6.23 -0.16 1.36 -4.77 -1.26 -0.56 116.67 119.23 2kvb s ASP 604 Ca 0.02 0.26 0.16 0.00 -3.30 0.00 0.00 52.55 49.68 2kvb s ASP 604 Cb -0.13 -2.20 0.64 0.00 -1.09 0.00 0.00 42.92 40.14 2kvb s ASP 604 CO -0.05 -0.16 1.55 0.18 0.70 0.00 0.00 175.17 177.40 2kvb n LEU 605 N 5.23 4.53 -0.24 2.11 4.77 -0.54 -4.54 117.00 128.33 2kvb n LEU 605 Ca -0.09 -2.76 -0.05 0.00 -0.03 0.00 0.00 56.01 53.08 2kvb n LEU 605 Cb 0.51 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2kvb n LEU 605 CO 0.37 0.70 1.00 0.71 -1.33 0.00 0.00 177.39 178.84 2kvb h THR 606 N 2.99 1.25 0.00 -5.08 1.35 -1.86 -2.44 112.91 109.11 2kvb h THR 606 Ca 0.00 -0.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2kvb h THR 606 Cb 1.53 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2kvb h THR 606 CO 0.28 0.34 -0.00 -0.65 -0.25 0.00 0.00 175.52 175.24 2kvb h PRO 607 N 1.05 0.00 0.00 4.72 0.11 -1.93 -1.32 132.00 134.63 2kvb h PRO 607 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2kvb h PRO 607 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2kvb h PRO 607 CO -0.01 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.71 2kvb h LEU 608 N 0.00 0.00 -9.23 2.35 4.07 -1.77 -3.43 115.31 107.30 2kvb h LEU 608 Ca -0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 2kvb h LEU 608 Cb 0.14 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 2kvb h LEU 608 CO 0.00 0.00 0.77 -0.89 -1.08 0.00 0.00 178.44 177.24 2kvb s THR 609 N -3.14 4.37 0.04 0.22 2.01 -0.50 -4.24 115.64 114.40 2kvb s THR 609 Ca 0.10 1.67 0.08 0.00 0.31 0.00 0.00 61.69 63.84 2kvb s THR 609 Cb 0.11 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2kvb s THR 609 CO 0.59 -0.07 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.70 2kvb s LYS 610 N 2.73 1.50 0.17 4.92 1.02 -1.26 -5.01 119.74 123.81 2kvb s LYS 610 Ca 0.53 -0.96 -0.07 0.00 0.02 0.00 0.00 55.97 55.49 2kvb s LYS 610 Cb -0.22 -1.61 0.04 0.00 -0.52 0.00 0.00 37.83 35.52 2kvb s LYS 610 CO 0.17 0.41 1.48 -0.22 -0.92 0.00 0.00 175.35 176.28 2kvb h LYS 611 N 4.91 0.72 0.00 1.68 1.63 -1.96 -2.70 116.57 120.85 2kvb h LYS 611 Ca -0.43 -0.43 -0.05 0.00 -0.85 0.00 0.00 60.65 58.89 2kvb h LYS 611 Cb 1.15 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2kvb h LYS 611 CO 0.44 1.05 -0.24 -0.44 -3.45 0.00 0.00 179.45 176.81 2kvb h ASP 612 N 0.56 0.00 -3.32 4.20 5.19 -1.95 -3.37 116.42 117.73 2kvb h ASP 612 Ca 0.02 0.00 0.27 0.00 -0.62 0.00 0.00 57.03 56.70 2kvb h ASP 612 Cb 1.08 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.52 2kvb h ASP 612 CO 0.11 0.24 -0.36 0.00 -3.12 0.00 0.00 179.24 176.11 2kvb n ALA 613 N -2.17 -2.57 -2.67 3.45 0.00 -1.02 -4.88 120.51 110.64 2kvb n ALA 613 Ca 0.03 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 2kvb n ALA 613 Cb 0.60 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -1.76 3.10 -0.03 0.00 1.51 0.73 -4.95 117.35 115.95 2kvb s TYR 614 Ca 0.00 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 2kvb s TYR 614 Cb 0.00 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 2kvb s TYR 614 CO 0.00 0.45 -0.23 0.21 -1.11 0.00 0.00 175.55 174.87 2kvb s LYS 615 N -1.20 2.09 -0.07 -0.62 2.20 -1.26 -0.33 119.74 120.54 2kvb s LYS 615 Ca 0.16 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2kvb s LYS 615 Cb -0.11 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 2kvb s LYS 615 CO 0.06 0.43 -0.14 0.08 -0.36 0.00 0.00 175.35 175.41 2kvb s VAL 616 N -0.34 3.02 -0.03 4.02 1.01 0.13 -4.96 120.40 123.26 2kvb s VAL 616 Ca 0.03 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2kvb s VAL 616 Cb -0.11 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2kvb s VAL 616 CO 0.01 0.57 -0.20 -1.61 0.00 0.00 0.00 175.10 173.88 2kvb s GLU 617 N -0.46 2.29 0.00 2.72 2.02 -1.26 0.35 118.70 124.37 2kvb s GLU 617 Ca 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2kvb s GLU 617 Cb -0.12 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2kvb s GLU 617 CO 0.02 0.59 0.00 0.25 0.02 0.00 0.00 175.26 176.14 2kvb n THR 618 N 2.31 0.00 0.15 3.63 -2.24 0.71 -4.98 114.28 113.87 2kvb n THR 618 Ca -0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2kvb n THR 618 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 -0.40 0.00 3.42 5.19 -2.03 -3.35 116.42 119.24 2kvb h ASP 619 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kvb h ASP 619 Cb 0.00 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2kvb h ASP 619 CO 0.00 -0.25 0.00 2.29 -3.12 0.00 0.00 179.24 178.16 2kvb n LYS 620 N -5.28 0.71 -4.27 3.56 2.85 -1.26 -4.92 118.16 109.55 2kvb n LYS 620 Ca -0.09 -0.77 -0.15 0.00 -1.05 0.00 0.00 58.31 56.25 2kvb n LYS 620 Cb 0.20 -0.84 -0.10 0.00 -0.65 0.00 0.00 35.03 33.63 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2kvb s TYR 621 N -0.35 1.33 -0.02 5.58 1.51 -1.26 -0.23 117.35 123.91 2kvb s TYR 621 Ca 0.00 -0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 55.18 2kvb s TYR 621 Cb 0.00 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 2kvb s TYR 621 CO 0.00 -0.01 0.06 -1.83 -1.11 0.00 0.00 175.55 172.65 2kvb s GLU 622 N -3.81 0.13 -0.15 -0.62 -1.05 -0.02 -0.21 118.70 112.96 2kvb s GLU 622 Ca 0.21 -0.02 -0.00 0.00 -0.15 0.00 0.00 54.97 55.01 2kvb s GLU 622 Cb 0.04 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.78 2kvb s GLU 622 CO 0.03 -0.02 -0.14 -0.06 0.95 0.00 0.00 175.26 176.02 2kvb s PHE 623 N -0.22 2.80 -0.17 4.83 0.40 0.16 -0.78 117.98 125.00 2kvb s PHE 623 Ca -0.03 -0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 2kvb s PHE 623 Cb -0.02 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2kvb s PHE 623 CO 0.00 -0.41 -0.12 -1.58 0.70 0.00 0.00 175.22 173.81 2kvb s HIS 624 N 0.74 2.85 0.05 0.36 2.46 0.74 0.20 115.29 122.69 2kvb s HIS 624 Ca -0.06 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 54.53 2kvb s HIS 624 Cb -0.15 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 2kvb s HIS 624 CO 0.01 -0.45 -0.05 0.96 -2.47 0.00 0.00 174.74 172.75 2kvb s ILE 625 N 0.92 0.36 0.09 0.89 -4.36 0.55 -0.69 121.20 118.96 2kvb s ILE 625 Ca -0.02 -1.47 0.06 0.00 -0.26 0.00 0.00 60.65 58.95 2kvb s ILE 625 Cb -0.15 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 2kvb s ILE 625 CO -0.01 -0.73 -0.14 0.21 0.24 0.00 0.00 174.94 174.51 2kvb s ASN 626 N -2.33 1.85 -0.45 4.36 2.47 -0.75 -0.19 114.94 119.90 2kvb s ASN 626 Ca -0.01 -0.70 -0.27 0.00 0.42 0.00 0.00 52.86 52.30 2kvb s ASN 626 Cb -0.01 -0.06 0.03 0.00 -1.45 0.00 0.00 41.25 39.76 2kvb s ASN 626 CO -0.05 -0.10 0.99 -0.69 -3.72 0.00 0.00 177.10 173.54 2kvb s VAL 627 N -1.63 4.40 0.13 -5.21 1.01 -1.26 -4.81 120.40 113.04 2kvb s VAL 627 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2kvb s VAL 627 Cb -0.08 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2kvb s VAL 627 CO 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 175.10 174.28 2kvb n GLY 629 N -1.42 0.20 3.96 0.00 0.00 0.32 -4.80 105.19 103.44 2kvb n GLY 629 Ca 0.00 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 3.10 -0.14 1.61 0.05 -1.26 -2.68 135.00 135.69 2kvb s PRO 630 Ca 0.00 -0.57 -0.06 0.00 0.05 0.00 0.00 61.00 60.42 2kvb s PRO 630 Cb 0.00 -2.61 -0.04 0.00 0.05 0.00 0.00 34.50 31.90 2kvb s PRO 630 CO 0.00 -0.18 0.07 0.54 0.05 0.00 0.00 177.00 177.48 2kvb s VAL 631 N -2.47 4.84 -0.92 -0.36 0.11 0.19 -4.81 120.40 116.98 2kvb s VAL 631 Ca 0.47 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 2kvb s VAL 631 Cb -0.10 -3.12 0.23 0.00 -1.53 0.00 0.00 36.38 31.86 2kvb s VAL 631 CO 0.36 0.54 0.84 -0.55 -3.33 0.00 0.00 175.10 172.96 2kvb s SER 632 N -0.34 6.44 -0.04 3.54 0.15 -1.26 -4.74 113.70 117.45 2kvb s SER 632 Ca 0.09 -3.39 0.06 0.00 0.70 0.00 0.00 55.95 53.41 2kvb s SER 632 Cb -0.12 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2kvb s SER 632 CO 0.02 -0.31 -0.23 -0.69 1.20 0.00 0.00 173.24 173.23 2kvb s VAL 633 N -0.89 2.29 -0.33 4.45 1.01 -1.26 -4.72 120.40 120.94 2kvb s VAL 633 Ca 0.25 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2kvb s VAL 633 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2kvb s VAL 633 CO -0.09 0.58 0.77 0.61 0.00 0.00 0.00 175.10 176.96 2kvb n GLY 634 N 2.55 1.69 0.00 4.51 0.00 -1.26 -2.05 105.19 110.64 2kvb n GLY 634 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 0.37 0.51 -2.33 4.61 0.00 -1.26 -5.10 120.51 117.31 2kvb n ALA 635 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 2kvb n ALA 635 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb s PRO 637 N -3.72 4.20 0.59 0.00 0.02 -1.26 -4.76 135.00 130.06 2kvb s PRO 637 Ca 0.23 2.05 0.38 0.00 0.02 0.00 0.00 61.00 63.68 2kvb s PRO 637 Cb 0.02 -2.89 1.88 0.00 0.02 0.00 0.00 34.50 33.53 2kvb s PRO 637 CO 0.06 -0.26 2.16 -1.35 -0.33 0.00 0.00 177.00 177.28 2kvb h PRO 638 N 3.03 0.00 -0.01 5.54 0.11 -1.90 -1.69 132.00 137.08 2kvb h PRO 638 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kvb h PRO 638 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kvb h PRO 638 CO 0.64 0.00 -0.06 -0.40 -0.21 0.00 0.00 178.00 177.97 2kvb n ASP 639 N -3.02 0.75 -4.91 -2.05 5.68 -1.26 -4.64 116.55 107.10 2kvb n ASP 639 Ca -0.01 -1.02 -0.32 0.00 -0.50 0.00 0.00 54.79 52.94 2kvb n ASP 639 Cb 0.18 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2kvb s SER 640 N -2.20 6.35 -0.02 -1.12 0.01 -0.64 -0.01 113.70 116.08 2kvb s SER 640 Ca 0.36 0.31 0.14 0.00 1.31 0.00 0.00 55.95 58.07 2kvb s SER 640 Cb 0.21 -1.97 -0.20 0.00 0.21 0.00 0.00 66.02 64.26 2kvb s SER 640 CO 0.41 0.23 0.33 0.61 0.41 0.00 0.00 173.24 175.23 2kvb n GLY 641 N 0.70 -0.58 2.87 3.44 0.00 0.66 0.53 105.19 112.82 2kvb n GLY 641 Ca -0.09 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -2.86 -0.19 -0.01 4.61 0.00 -1.10 -1.81 121.76 120.40 2kvb s ALA 642 Ca -0.04 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2kvb s ALA 642 Cb 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kvb s ALA 642 CO 0.57 -0.34 0.01 0.00 0.00 0.00 0.00 175.76 176.00 2kvb s GLN 644 N 0.44 2.86 -0.03 0.00 -2.07 -0.88 -0.19 119.66 119.80 2kvb s GLN 644 Ca -0.04 -0.54 0.02 0.00 -1.82 0.00 0.00 55.36 52.98 2kvb s GLN 644 Cb -0.05 -2.72 0.01 0.00 -1.09 0.00 0.00 33.01 29.16 2kvb s GLN 644 CO -0.01 0.65 -0.06 0.54 -1.32 0.00 0.00 175.29 175.08 2kvb s VAL 645 N -1.03 0.60 -0.31 3.63 0.11 0.04 -0.30 120.40 123.14 2kvb s VAL 645 Ca 0.18 -0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 2kvb s VAL 645 Cb -0.11 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2kvb s VAL 645 CO 0.08 0.20 1.53 -0.55 -3.33 0.00 0.00 175.10 173.04 2kvb s SER 646 N 0.37 6.32 0.53 3.54 0.15 0.14 -0.84 113.70 123.91 2kvb s SER 646 Ca -0.05 1.24 0.32 0.00 0.70 0.00 0.00 55.95 58.16 2kvb s SER 646 Cb -0.09 -2.53 1.21 0.00 -1.71 0.00 0.00 66.02 62.90 2kvb s SER 646 CO 0.00 -1.37 1.93 0.08 1.20 0.00 0.00 173.24 175.08 2kvb h ARG 647 N 10.88 0.00 0.00 5.44 0.11 -0.90 0.31 114.38 130.22 2kvb h ARG 647 Ca -0.30 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.73 2kvb h ARG 647 Cb 1.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 2kvb h ARG 647 CO 1.04 0.01 -0.27 1.03 0.10 0.00 0.00 179.97 181.88 2kvb h SER 648 N 0.00 0.01 0.00 0.08 0.87 -1.79 -3.41 113.55 109.31 2kvb h SER 648 Ca -0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 2kvb h SER 648 Cb 0.59 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2kvb h SER 648 CO 0.00 1.11 -1.08 -0.67 -0.53 0.00 0.00 176.83 175.65 2kvb n ASP 649 N -4.57 0.89 -0.61 6.23 2.03 -1.18 -5.00 116.55 114.34 2kvb n ASP 649 Ca -0.15 -0.61 -0.08 0.00 0.52 0.00 0.00 54.79 54.48 2kvb n ASP 649 Cb 0.53 1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 42.14 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kvb n ARG 650 N -1.60 -0.53 -3.38 -0.67 3.00 0.11 -5.01 116.66 108.57 2kvb n ARG 650 Ca 0.01 0.73 -0.38 0.00 -0.01 0.00 0.00 57.85 58.20 2kvb n ARG 650 Cb 0.31 -4.56 -0.06 0.00 0.00 0.00 0.00 32.46 28.15 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -2.82 4.06 0.09 5.56 1.02 -1.25 -4.82 119.74 121.59 2kvb s LYS 651 Ca 0.00 0.58 0.08 0.00 0.02 0.00 0.00 55.97 56.65 2kvb s LYS 651 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 2kvb s LYS 651 CO 0.00 0.66 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.34 2kvb s SER 652 N -1.12 2.53 0.17 2.83 1.04 -1.26 0.25 113.70 118.14 2kvb s SER 652 Ca 0.27 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 56.10 2kvb s SER 652 Cb -0.18 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2kvb s SER 652 CO 0.17 0.07 -0.14 0.26 0.98 0.00 0.00 173.24 174.57 2kvb s TRP 653 N -1.11 1.59 -0.21 5.02 0.51 0.59 -4.98 118.94 120.35 2kvb s TRP 653 Ca 0.07 -0.58 -0.15 0.00 -2.12 0.00 0.00 56.10 53.32 2kvb s TRP 653 Cb -0.10 -0.78 -0.04 0.00 -0.81 0.00 0.00 33.47 31.74 2kvb s TRP 653 CO 0.04 0.27 0.36 1.21 -0.51 0.00 0.00 176.95 178.31 2kvb s ASN 654 N -2.99 6.38 -0.04 2.95 3.84 -1.26 -2.07 114.94 121.75 2kvb s ASN 654 Ca 0.17 0.44 0.12 0.00 0.21 0.00 0.00 52.86 53.81 2kvb s ASN 654 Cb -0.02 -2.21 0.37 0.00 -0.55 0.00 0.00 41.25 38.84 2kvb s ASN 654 CO 0.05 -0.05 1.30 0.18 -2.79 0.00 0.00 177.10 175.79 2kvb n LEU 655 N 4.44 3.18 0.00 3.21 4.77 0.13 -2.70 117.00 130.03 2kvb n LEU 655 Ca -0.09 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 2kvb n LEU 655 Cb 0.51 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2kvb n LEU 655 CO 0.39 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kvb n GLY 656 N 0.30 3.40 3.71 -0.72 0.00 -1.21 -1.21 105.19 109.45 2kvb n GLY 656 Ca 0.14 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2kvb n GLY 656 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kvb s ARG 657 N -1.69 0.82 -0.02 1.61 0.52 -1.25 -0.24 118.95 118.70 2kvb s ARG 657 Ca 0.00 0.57 -0.33 0.00 -0.52 0.00 0.00 55.73 55.45 2kvb s ARG 657 Cb 0.00 -1.78 -0.11 0.00 0.52 0.00 0.00 34.95 33.58 2kvb s ARG 657 CO 0.00 -2.48 1.87 -1.13 0.02 0.00 0.00 175.30 173.58 2kvb n SER 658 N -4.01 3.61 -3.51 0.23 3.41 0.99 -3.95 113.62 110.39 2kvb n SER 658 Ca 0.06 0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 59.48 2kvb n SER 658 Cb 0.57 -1.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvb s ASN 659 N 3.71 -0.59 -0.04 4.04 2.47 -1.09 -4.86 114.94 118.58 2kvb s ASN 659 Ca 0.90 0.45 0.05 0.00 0.42 0.00 0.00 52.86 54.68 2kvb s ASN 659 Cb -0.62 0.54 0.08 0.00 -1.45 0.00 0.00 41.25 39.80 2kvb s ASN 659 CO 0.47 -0.71 0.94 0.00 -3.72 0.00 0.00 177.10 174.08 2kvb n ALA 660 N 0.54 1.86 -2.17 1.71 0.00 -1.26 -0.52 120.51 120.66 2kvb n ALA 660 Ca -0.18 -1.36 -0.40 0.00 0.00 0.00 0.00 53.44 51.49 2kvb n ALA 660 Cb 0.59 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N -1.08 2.90 -0.12 0.00 -0.14 -1.25 -3.93 119.74 116.12 2kvb s LYS 661 Ca 0.09 0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 55.10 2kvb s LYS 661 Cb 0.08 -4.29 -0.05 0.00 -1.68 0.00 0.00 37.83 31.89 2kvb s LYS 661 CO 0.01 -2.41 0.39 -0.51 -0.76 0.00 0.00 175.35 172.06 2kvb s LEU 662 N 7.83 4.30 0.02 3.17 1.43 -1.26 -3.41 118.68 130.76 2kvb s LEU 662 Ca 0.61 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 2kvb s LEU 662 Cb -0.13 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2kvb s LEU 662 CO 0.22 0.10 -0.17 -0.44 0.23 0.00 0.00 176.35 176.29 2kvb s SER 663 N 0.25 3.83 -0.21 2.29 0.01 0.77 0.58 113.70 121.22 2kvb s SER 663 Ca 0.22 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 2kvb s SER 663 Cb -0.14 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.43 2kvb s SER 663 CO 0.08 0.27 -0.08 -0.47 0.41 0.00 0.00 173.24 173.45 2kvb s TYR 664 N -0.89 2.92 -0.10 2.43 6.14 -0.64 -0.15 117.35 127.06 2kvb s TYR 664 Ca 0.14 -1.05 -0.02 0.00 0.64 0.00 0.00 57.07 56.77 2kvb s TYR 664 Cb -0.11 -2.06 -0.03 0.00 0.42 0.00 0.00 41.96 40.19 2kvb s TYR 664 CO 0.04 -0.58 0.00 -0.47 0.64 0.00 0.00 175.55 175.19 2kvb s TYR 665 N 1.38 3.16 -0.12 4.97 5.04 -0.57 -1.20 117.35 130.00 2kvb s TYR 665 Ca 0.05 0.15 -0.33 0.00 -2.44 0.00 0.00 57.07 54.50 2kvb s TYR 665 Cb -0.14 -1.82 -0.11 0.00 0.35 0.00 0.00 41.96 40.24 2kvb s TYR 665 CO -0.05 0.42 1.96 -3.47 -1.34 0.00 0.00 175.55 173.07 2kvb n ASP 666 N 2.32 3.36 0.00 4.32 2.03 -0.18 -1.04 116.55 127.36 2kvb n ASP 666 Ca -0.18 0.84 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2kvb n ASP 666 Cb 0.53 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kvb n GLY 667 N 4.77 3.09 3.19 0.27 0.00 -1.26 -5.05 105.19 110.20 2kvb n GLY 667 Ca 0.25 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2kvb n GLY 667 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kvb s MET 668 N 0.00 0.69 0.14 1.61 -1.94 -0.21 -5.04 119.30 114.56 2kvb s MET 668 Ca 0.00 -0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 53.19 2kvb s MET 668 Cb 0.00 0.29 -0.07 0.00 2.01 0.00 0.00 34.83 37.06 2kvb s MET 668 CO 0.00 -0.20 0.78 0.42 -0.01 0.00 0.00 175.02 176.01 2kvb s ILE 669 N -2.31 4.45 0.01 2.53 1.01 -1.21 -1.51 121.20 124.16 2kvb s ILE 669 Ca -0.07 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.30 2kvb s ILE 669 Cb -0.02 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 2kvb s ILE 669 CO -0.02 0.49 -0.09 -1.10 0.00 0.00 0.00 174.94 174.21 2kvb s GLN 670 N -0.89 0.69 -0.15 2.79 -0.21 0.79 0.08 119.66 122.76 2kvb s GLN 670 Ca 0.36 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.35 2kvb s GLN 670 Cb -0.23 -0.65 0.01 0.00 1.00 0.00 0.00 33.01 33.14 2kvb s GLN 670 CO 0.26 0.17 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.23 2kvb s LEU 671 N -0.49 2.23 -0.16 2.90 0.20 -0.21 -0.16 118.68 122.99 2kvb s LEU 671 Ca 0.01 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.24 2kvb s LEU 671 Cb -0.05 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.21 2kvb s LEU 671 CO -0.00 0.08 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.20 2kvb s THR 672 N 0.82 3.65 0.47 3.68 2.01 -1.22 -1.01 115.64 124.05 2kvb s THR 672 Ca -0.06 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2kvb s THR 672 Cb -0.15 -2.60 0.09 0.00 0.01 0.00 0.00 72.50 69.85 2kvb s THR 672 CO -0.01 0.49 0.65 -1.22 -0.69 0.00 0.00 174.62 173.83 2kvb n TYR 673 N 3.72 -2.83 -2.20 4.92 4.01 -0.16 -4.55 117.16 120.07 2kvb n TYR 673 Ca -0.18 -1.36 -0.27 0.00 -0.16 0.00 0.00 57.90 55.94 2kvb n TYR 673 Cb 0.52 -0.46 0.16 0.00 -0.31 0.00 0.00 39.34 39.25 2kvb n TYR 673 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kvb s ARG 674 N -4.12 1.03 0.32 -0.72 1.81 -1.25 -4.63 118.95 111.39 2kvb s ARG 674 Ca 0.45 -0.71 0.07 0.00 -1.72 0.00 0.00 55.73 53.82 2kvb s ARG 674 Cb -0.03 -2.04 0.76 0.00 -0.45 0.00 0.00 34.95 33.19 2kvb s ARG 674 CO 0.30 -2.04 1.82 0.38 -0.68 0.00 0.00 175.30 175.07 2kvb h ASP 675 N -1.21 0.74 0.00 0.23 2.03 -1.92 -3.33 116.42 112.96 2kvb h ASP 675 Ca -0.41 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2kvb h ASP 675 Cb 1.25 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2kvb h ASP 675 CO 0.38 0.32 0.00 0.61 -1.03 0.00 0.00 179.24 179.52 2kvb n GLY 676 N -1.38 1.94 3.07 7.15 0.00 -1.26 -2.51 105.19 112.19 2kvb n GLY 676 Ca 0.21 0.33 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 1.22 0.63 2.61 2.01 -1.10 -4.91 115.64 116.11 2kvb s THR 677 Ca 0.00 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 2kvb s THR 677 Cb 0.00 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 2kvb s THR 677 CO 0.00 0.37 1.08 -2.16 -0.69 0.00 0.00 174.62 173.22 2kvb s PRO 678 N 0.35 3.04 0.00 4.92 0.04 -1.26 -1.56 135.00 140.53 2kvb s PRO 678 Ca -0.09 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2kvb s PRO 678 Cb -0.13 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2kvb s PRO 678 CO 0.03 -1.05 0.84 0.66 0.04 0.00 0.00 177.00 177.53 2kvb n TYR 679 N -2.31 0.00 0.00 0.56 4.01 -0.48 -4.80 117.16 114.14 2kvb n TYR 679 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2kvb n TYR 679 Cb 0.52 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kvb n ASN 680 N -2.00 0.00 -4.83 7.72 0.23 -1.26 -5.10 115.26 110.02 2kvb n ASN 680 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 2kvb n ASN 680 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kvb s ASN 681 N 0.00 5.60 0.55 0.53 4.22 -1.26 -4.99 114.94 119.59 2kvb s ASN 681 Ca 0.00 -0.19 0.29 0.00 -2.14 0.00 0.00 52.86 50.82 2kvb s ASN 681 Cb 0.00 -1.46 1.61 0.00 1.28 0.00 0.00 41.25 42.68 2kvb s ASN 681 CO 0.00 -0.02 2.14 -0.33 -2.04 0.00 0.00 177.10 176.85 2kvb h GLU 682 N 1.66 0.00 0.00 3.55 5.08 -2.02 0.12 114.58 122.98 2kvb h GLU 682 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2kvb h GLU 682 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kvb h GLU 682 CO 0.61 0.08 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.36 2kvb h LYS 683 N 0.00 0.00 -5.21 2.33 3.64 -2.06 -3.48 116.57 111.78 2kvb h LYS 683 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kvb h LYS 683 Cb 0.23 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2kvb h LYS 683 CO 0.01 0.12 -0.04 0.54 -2.27 0.00 0.00 179.45 177.81 2kvb n ARG 684 N -3.14 -1.28 -3.23 1.90 3.00 0.03 -4.98 116.66 108.96 2kvb n ARG 684 Ca 0.03 1.40 -0.41 0.00 -0.01 0.00 0.00 57.85 58.86 2kvb n ARG 684 Cb 0.55 -5.48 -0.08 0.00 0.00 0.00 0.00 32.46 27.45 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kvb s THR 685 N -3.02 5.02 0.37 0.55 2.01 -1.26 -4.96 115.64 114.35 2kvb s THR 685 Ca 0.02 0.45 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 2kvb s THR 685 Cb -0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 2kvb s THR 685 CO 0.70 -0.16 1.31 -2.16 -0.69 0.00 0.00 174.62 173.61 2kvb s PRO 686 N 2.39 4.16 -0.24 4.92 0.04 -1.26 -1.38 135.00 143.64 2kvb s PRO 686 Ca 0.19 2.19 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2kvb s PRO 686 Cb -0.15 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2kvb s PRO 686 CO 0.13 -0.34 0.72 1.03 0.04 0.00 0.00 177.00 178.57 2kvb s ARG 687 N -2.02 4.16 0.16 4.56 0.52 -0.60 -4.82 118.95 120.90 2kvb s ARG 687 Ca 0.53 0.73 0.07 0.00 -0.52 0.00 0.00 55.73 56.54 2kvb s ARG 687 Cb -0.39 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 2kvb s ARG 687 CO 0.51 -0.43 -0.15 0.00 0.02 0.00 0.00 175.30 175.25 2kvb s ALA 688 N 2.56 1.77 -0.11 2.13 0.00 -1.25 -3.51 121.76 123.35 2kvb s ALA 688 Ca 0.30 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2kvb s ALA 688 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2kvb s ALA 688 CO 0.08 0.09 -0.13 0.99 0.00 0.00 0.00 175.76 176.80 2kvb s THR 689 N -2.55 3.14 -0.18 0.00 2.01 -0.35 0.91 115.64 118.61 2kvb s THR 689 Ca 0.16 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2kvb s THR 689 Cb -0.03 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.23 2kvb s THR 689 CO 0.05 0.55 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.22 2kvb s LEU 690 N -0.02 1.97 -0.21 4.42 1.98 0.15 -0.99 118.68 125.98 2kvb s LEU 690 Ca -0.03 -0.78 -0.09 0.00 -2.89 0.00 0.00 54.13 50.34 2kvb s LEU 690 Cb -0.14 -1.08 -0.04 0.00 0.66 0.00 0.00 46.19 45.58 2kvb s LEU 690 CO 0.04 -0.16 0.10 -0.63 -1.89 0.00 0.00 176.35 173.80 2kvb s ILE 691 N 1.51 4.99 -0.26 6.68 1.01 -0.18 -1.61 121.20 133.34 2kvb s ILE 691 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 2kvb s ILE 691 Cb -0.16 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2kvb s ILE 691 CO -0.08 0.42 0.05 -0.89 0.00 0.00 0.00 174.94 174.44 2kvb s THR 692 N 0.65 3.98 -0.17 2.92 2.01 0.70 -1.05 115.64 124.68 2kvb s THR 692 Ca 0.05 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 2kvb s THR 692 Cb -0.13 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2kvb s THR 692 CO 0.01 0.25 0.39 -0.36 -0.69 0.00 0.00 174.62 174.22 2kvb s PHE 693 N 1.54 3.43 0.40 4.92 0.40 0.11 -0.47 117.98 128.32 2kvb s PHE 693 Ca 0.05 0.68 0.07 0.00 -0.60 0.00 0.00 56.93 57.13 2kvb s PHE 693 Cb -0.16 -2.48 -0.08 0.00 0.51 0.00 0.00 43.02 40.82 2kvb s PHE 693 CO 0.02 0.11 -0.00 -0.51 0.70 0.00 0.00 175.22 175.53 2kvb s LEU 694 N 0.88 2.86 0.07 -0.37 1.43 0.18 -3.31 118.68 120.43 2kvb s LEU 694 Ca 0.20 -1.35 -0.27 0.00 -1.03 0.00 0.00 54.13 51.68 2kvb s LEU 694 Cb -0.14 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.11 2kvb s LEU 694 CO 0.07 -0.42 0.84 0.00 0.23 0.00 0.00 176.35 177.07 2kvb s ASP 696 N -0.09 6.92 -0.13 0.00 1.47 -1.21 -4.67 116.67 118.96 2kvb s ASP 696 Ca 0.41 1.24 0.18 0.00 1.18 0.00 0.00 52.55 55.56 2kvb s ASP 696 Cb -0.22 -2.35 -0.26 0.00 -0.34 0.00 0.00 42.92 39.75 2kvb s ASP 696 CO 0.26 0.05 0.20 0.54 0.68 0.00 0.00 175.17 176.90 2kvb n ARG 697 N 0.69 0.83 -3.35 2.11 1.74 -1.26 -4.84 116.66 112.58 2kvb n ARG 697 Ca -0.03 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 2kvb n ARG 697 Cb 0.52 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 2kvb n ARG 697 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2kvb s ASP 698 N -4.93 0.31 0.00 0.55 -4.77 -1.26 -5.03 116.67 101.54 2kvb s ASP 698 Ca -0.08 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.33 2kvb s ASP 698 Cb 0.08 1.08 0.00 0.00 -1.09 0.00 0.00 42.92 42.99 2kvb s ASP 698 CO 0.79 -0.30 0.00 0.00 0.70 0.00 0.00 175.17 176.35 2kvb n ALA 699 N 5.36 0.00 0.00 2.11 0.00 -1.26 -4.95 120.51 121.77 2kvb n ALA 699 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kvb n ALA 699 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N 0.00 1.52 0.17 0.00 0.00 -1.26 -4.55 105.19 101.06 2kvb n GLY 700 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.38 0.00 1.61 3.04 -1.97 -0.73 116.25 119.59 2kvb h VAL 701 Ca 0.00 -2.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.36 2kvb h VAL 701 Cb 0.00 2.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2kvb h VAL 701 CO 0.00 0.70 0.00 0.61 -1.01 0.00 0.00 177.57 177.87 2kvb n GLY 702 N 0.83 3.79 3.06 3.17 0.00 -1.24 -4.61 105.19 110.19 2kvb n GLY 702 Ca -0.06 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 2kvb n GLY 702 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 703 N -1.26 2.97 0.39 1.61 0.08 -1.24 -4.96 117.98 115.56 2kvb s PHE 703 Ca 0.00 -2.04 -0.26 0.00 0.12 0.00 0.00 56.93 54.76 2kvb s PHE 703 Cb 0.00 -1.85 -0.09 0.00 -0.57 0.00 0.00 43.02 40.51 2kvb s PHE 703 CO 0.00 -0.84 1.15 -1.25 -0.10 0.00 0.00 175.22 174.18 2kvb s PRO 704 N 1.21 4.13 -0.04 0.24 0.04 -1.26 -3.96 135.00 135.36 2kvb s PRO 704 Ca -0.05 1.80 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2kvb s PRO 704 Cb -0.18 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2kvb s PRO 704 CO -0.07 -0.24 -0.25 -2.00 0.04 0.00 0.00 177.00 174.48 2kvb s GLU 705 N -2.23 2.33 -0.35 4.56 2.56 0.81 -4.82 118.70 121.56 2kvb s GLU 705 Ca 0.56 -0.88 -0.23 0.00 0.00 0.00 0.00 54.97 54.41 2kvb s GLU 705 Cb -0.30 -2.06 0.01 0.00 2.00 0.00 0.00 34.13 33.78 2kvb s GLU 705 CO 0.38 0.42 0.79 -0.47 -0.56 0.00 0.00 175.26 175.82 2kvb s TYR 706 N -0.29 3.13 0.00 5.30 5.04 -1.26 -0.43 117.35 128.84 2kvb s TYR 706 Ca 0.01 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 2kvb s TYR 706 Cb -0.12 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 38.81 2kvb s TYR 706 CO 0.02 -0.70 0.19 1.04 -1.34 0.00 0.00 175.55 174.75 2kvb n GLN 707 N 6.39 0.00 0.00 4.97 1.13 -0.85 -4.98 117.38 124.04 2kvb n GLN 707 Ca 0.03 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2kvb n GLN 707 Cb 0.48 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.09 2kvb n GLN 707 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2kvb n GLU 708 N -0.73 0.00 -2.93 -1.09 0.28 -1.25 -5.08 120.64 109.83 2kvb n GLU 708 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2kvb n GLU 708 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2kvb n GLU 708 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kvb s GLU 709 N -1.15 4.41 0.00 3.44 -6.30 -1.26 -4.34 118.70 113.50 2kvb s GLU 709 Ca 0.00 1.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.49 2kvb s GLU 709 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.64 2kvb s GLU 709 CO 0.00 -0.08 0.00 -3.47 0.02 0.00 0.00 175.26 171.73 2kvb n ASP 710 N 4.27 0.00 -1.02 -1.70 2.03 -1.26 -4.87 116.55 114.00 2kvb n ASP 710 Ca 0.02 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.36 2kvb n ASP 710 Cb 0.50 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.07 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kvb n ASN 711 N -0.90 2.82 0.00 1.67 6.94 -1.26 -4.87 115.26 119.66 2kvb n ASN 711 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 2kvb n ASN 711 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2kvb n SER 712 N 0.29 -0.47 -4.04 0.53 7.64 -1.26 -4.93 113.62 111.38 2kvb n SER 712 Ca 0.12 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 2kvb n SER 712 Cb 0.60 -1.20 -0.16 0.00 -1.01 0.00 0.00 64.21 62.44 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kvb s THR 713 N -2.53 0.98 -0.27 0.44 2.01 -1.26 -3.79 115.64 111.22 2kvb s THR 713 Ca 0.00 -0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.28 2kvb s THR 713 Cb 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2kvb s THR 713 CO 0.00 0.30 0.89 -0.31 -0.69 0.00 0.00 174.62 174.81 2kvb s TYR 714 N 0.16 3.27 -0.21 4.92 1.51 0.26 -4.41 117.35 122.85 2kvb s TYR 714 Ca -0.04 1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 57.06 2kvb s TYR 714 Cb -0.10 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.49 2kvb s TYR 714 CO 0.01 -0.51 0.11 -0.80 -1.11 0.00 0.00 175.55 173.25 2kvb s ASN 715 N 1.43 5.89 0.05 2.29 -0.87 -1.25 0.34 114.94 122.82 2kvb s ASN 715 Ca 0.37 0.10 0.07 0.00 -1.57 0.00 0.00 52.86 51.84 2kvb s ASN 715 Cb -0.14 -2.04 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 2kvb s ASN 715 CO 0.09 0.12 -0.17 -0.36 -2.57 0.00 0.00 177.10 174.22 2kvb s PHE 716 N 0.69 2.59 -0.21 2.20 0.40 -0.63 -2.00 117.98 121.02 2kvb s PHE 716 Ca 0.06 -0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.08 2kvb s PHE 716 Cb -0.13 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 2kvb s PHE 716 CO 0.01 0.29 0.08 0.50 0.70 0.00 0.00 175.22 176.80 2kvb s ARG 717 N -1.57 3.89 -0.21 0.44 3.52 0.43 -0.22 118.95 125.24 2kvb s ARG 717 Ca 0.16 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2kvb s ARG 717 Cb -0.11 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2kvb s ARG 717 CO 0.07 0.10 -0.14 -0.46 -0.81 0.00 0.00 175.30 174.05 2kvb s TRP 718 N 0.86 2.78 -0.44 5.12 -0.11 0.38 -0.14 118.94 127.39 2kvb s TRP 718 Ca 0.04 -1.80 -0.21 0.00 1.22 0.00 0.00 56.10 55.36 2kvb s TRP 718 Cb -0.14 -1.82 0.02 0.00 -1.50 0.00 0.00 33.47 30.03 2kvb s TRP 718 CO 0.03 -0.80 0.64 0.71 -4.62 0.00 0.00 176.95 172.90 2kvb s TYR 719 N 1.28 3.07 0.00 5.86 1.51 -1.25 0.51 117.35 128.33 2kvb s TYR 719 Ca -0.01 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 2kvb s TYR 719 Cb -0.16 -3.33 -0.00 0.00 -0.11 0.00 0.00 41.96 38.36 2kvb s TYR 719 CO -0.09 -0.86 0.00 -0.08 -1.11 0.00 0.00 175.55 173.41 2kvb s THR 720 N 2.79 0.02 0.44 -0.71 -1.32 0.22 -3.66 115.64 113.42 2kvb s THR 720 Ca 0.22 -0.14 0.28 0.00 -1.21 0.00 0.00 61.69 60.84 2kvb s THR 720 Cb -0.14 -0.06 0.31 0.00 -1.51 0.00 0.00 72.50 71.10 2kvb s THR 720 CO 0.19 -0.08 2.10 -1.28 -2.21 0.00 0.00 174.62 173.34 2kvb h SER 721 N 5.91 0.00 0.74 8.08 0.87 -1.39 -1.60 113.55 126.15 2kvb h SER 721 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kvb h SER 721 CO 0.49 0.10 0.00 -1.22 -0.53 0.00 0.00 176.83 175.67 2kvb n TYR 722 N -3.65 0.10 -0.80 2.24 4.02 -1.26 -1.39 117.16 116.41 2kvb n TYR 722 Ca -0.02 0.03 0.08 0.00 -0.01 0.00 0.00 57.90 57.98 2kvb n TYR 722 Cb 0.21 -0.56 0.30 0.00 -0.02 0.00 0.00 39.34 39.28 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvb n ALA 723 N -1.53 3.14 -3.02 -0.72 0.00 -0.60 -4.76 120.51 113.01 2kvb n ALA 723 Ca 0.05 -1.93 -0.35 0.00 0.00 0.00 0.00 53.44 51.20 2kvb n ALA 723 Cb 0.25 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50