#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ch3 n MET 565 N 0.00 0.21 0.00 1.20 0.00 -1.26 -4.92 117.12 112.35 3ch3 n MET 565 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 57.70 57.90 3ch3 n MET 565 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 33.22 31.72 3ch3 n MET 565 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ch3 n PHE 566 N -2.00 0.00 -3.32 3.17 3.01 -1.26 -4.75 117.46 112.31 3ch3 n PHE 566 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 3ch3 n PHE 566 Cb 0.49 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 3ch3 n PHE 566 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ch3 n ASN 568 N 4.52 1.81 0.18 0.00 0.23 0.85 -4.96 115.26 117.90 3ch3 n ASN 568 Ca 0.09 -0.86 0.14 0.00 -0.53 0.00 0.00 54.58 53.41 3ch3 n ASN 568 Cb 0.48 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.66 3ch3 n ASN 568 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3ch3 h LYS 569 N 0.00 0.00 0.00 -3.83 1.57 -2.01 -3.26 116.57 109.04 3ch3 h LYS 569 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3ch3 h LYS 569 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3ch3 h LYS 569 CO 0.00 0.00 -2.30 0.39 -0.57 0.00 0.00 179.45 176.97 3ch3 n GLU 570 N -2.64 0.77 -4.03 3.15 -0.58 -1.26 -4.99 120.64 111.05 3ch3 n GLU 570 Ca 0.03 0.07 -0.18 0.00 -0.42 0.00 0.00 57.16 56.66 3ch3 n GLU 570 Cb 0.35 -1.47 -0.16 0.00 -0.57 0.00 0.00 31.44 29.59 3ch3 n GLU 570 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3ch3 s TYR 571 N -2.46 0.47 -0.17 -0.32 5.04 -1.23 -4.08 117.35 114.60 3ch3 s TYR 571 Ca -0.22 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.29 3ch3 s TYR 571 Cb 0.07 -0.47 0.07 0.00 0.35 0.00 0.00 41.96 41.98 3ch3 s TYR 571 CO 0.63 -0.13 0.16 0.00 -1.34 0.00 0.00 175.55 174.86 3ch3 s ASN 573 N 2.25 0.97 0.33 0.00 3.84 0.69 -1.17 114.94 121.86 3ch3 s ASN 573 Ca 0.05 -1.10 0.26 0.00 0.21 0.00 0.00 52.86 52.27 3ch3 s ASN 573 Cb -0.15 0.74 0.81 0.00 -0.55 0.00 0.00 41.25 42.10 3ch3 s ASN 573 CO -0.10 -0.30 1.75 0.03 -2.79 0.00 0.00 177.10 175.69 3ch3 h ARG 574 N 7.56 0.00 0.00 0.43 3.08 -1.83 -3.20 114.38 120.42 3ch3 h ARG 574 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3ch3 h ARG 574 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3ch3 h ARG 574 CO 0.24 0.00 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.96 3ch3 h LEU 575 N 0.00 0.00 -0.01 3.04 3.38 -1.93 -2.03 115.31 117.76 3ch3 h LEU 575 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ch3 h LEU 575 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ch3 h LEU 575 CO 0.00 0.11 -0.04 0.29 0.09 0.00 0.00 178.44 178.89 3ch3 n LYS 576 N -3.65 0.09 -3.56 1.13 5.02 -1.21 -4.51 118.16 111.48 3ch3 n LYS 576 Ca -0.02 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3ch3 n LYS 576 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 3ch3 n LYS 576 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ch3 s ASP 577 N -2.91 5.78 0.41 4.39 2.15 -0.76 -4.94 116.67 120.79 3ch3 s ASP 577 Ca 0.17 -2.36 0.22 0.00 0.43 0.00 0.00 52.55 51.00 3ch3 s ASP 577 Cb 0.19 -2.00 1.20 0.00 -0.30 0.00 0.00 42.92 42.01 3ch3 s ASP 577 CO 0.53 -0.57 1.63 1.05 -0.17 0.00 0.00 175.17 177.65 3ch3 h GLU 578 N 7.88 0.00 0.00 4.34 4.11 -1.82 -2.02 114.58 127.06 3ch3 h GLU 578 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3ch3 h GLU 578 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3ch3 h GLU 578 CO 0.79 0.00 -0.43 0.27 0.07 0.00 0.00 179.01 179.71 3ch3 n ASN 579 N -2.36 0.70 -4.74 3.06 6.94 -1.26 -4.87 115.26 112.74 3ch3 n ASN 579 Ca -0.01 0.24 -0.41 0.00 -0.02 0.00 0.00 54.58 54.37 3ch3 n ASN 579 Cb 0.20 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 3ch3 n ASN 579 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3ch3 s ASN 580 N -4.22 7.39 0.29 0.53 3.84 -0.76 -4.95 114.94 117.06 3ch3 s ASN 580 Ca 0.08 2.00 0.02 0.00 0.21 0.00 0.00 52.86 55.18 3ch3 s ASN 580 Cb 0.13 -2.60 0.71 0.00 -0.55 0.00 0.00 41.25 38.94 3ch3 s ASN 580 CO 0.68 -0.11 1.66 0.00 -2.79 0.00 0.00 177.10 176.54 3ch3 h ILE 582 N 0.26 1.25 0.00 0.00 2.04 -1.93 -2.47 117.51 116.66 3ch3 h ILE 582 Ca 0.55 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3ch3 h ILE 582 Cb 1.09 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3ch3 h ILE 582 CO -0.61 0.37 0.00 0.77 0.00 0.00 0.00 178.15 178.67 3ch3 h SER 583 N 0.47 0.00 0.03 1.72 4.64 -1.64 -2.45 113.55 116.32 3ch3 h SER 583 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ch3 h SER 583 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3ch3 h SER 583 CO 0.04 0.00 -0.03 0.59 -0.87 0.00 0.00 176.83 176.55 3ch3 n ASN 584 N -2.92 1.27 -4.48 4.97 3.02 -0.93 -4.70 115.26 111.49 3ch3 n ASN 584 Ca -0.00 -1.35 -0.43 0.00 -0.03 0.00 0.00 54.58 52.78 3ch3 n ASN 584 Cb 0.23 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 3ch3 n ASN 584 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ch3 s LEU 585 N -2.07 4.10 0.55 3.41 1.43 -0.93 -5.00 118.68 120.18 3ch3 s LEU 585 Ca 0.37 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 3ch3 s LEU 585 Cb 0.21 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3ch3 s LEU 585 CO 0.36 -1.53 1.12 0.00 0.23 0.00 0.00 176.35 176.53 3ch3 s GLN 586 N 4.44 3.32 0.47 1.70 1.03 -1.26 -4.98 119.66 124.38 3ch3 s GLN 586 Ca 0.25 1.54 -0.24 0.00 0.04 0.00 0.00 55.36 56.96 3ch3 s GLN 586 Cb -0.14 -2.01 -0.07 0.00 0.03 0.00 0.00 33.01 30.82 3ch3 s GLN 586 CO 0.11 -0.86 1.31 0.08 -2.54 0.00 0.00 175.29 173.39 3ch3 s VAL 587 N -1.89 2.46 0.42 3.63 1.01 -1.26 -5.04 120.40 119.73 3ch3 s VAL 587 Ca 0.71 0.37 0.07 0.00 0.00 0.00 0.00 61.98 63.13 3ch3 s VAL 587 Cb -0.22 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 3ch3 s VAL 587 CO 0.28 0.03 0.05 -1.61 0.00 0.00 0.00 175.10 173.85 3ch3 s GLU 588 N -2.57 2.04 -0.16 2.72 2.02 -1.26 -4.69 118.70 116.80 3ch3 s GLU 588 Ca 0.63 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.56 3ch3 s GLU 588 Cb -0.38 -1.71 0.03 0.00 0.10 0.00 0.00 34.13 32.17 3ch3 s GLU 588 CO 0.47 -0.10 -0.11 0.34 0.02 0.00 0.00 175.26 175.89 3ch3 s ASP 589 N -3.77 2.81 0.37 -0.19 -1.08 -1.26 -1.21 116.67 112.33 3ch3 s ASP 589 Ca 0.34 -0.59 0.27 0.00 -0.52 0.00 0.00 52.55 52.05 3ch3 s ASP 589 Cb 0.08 -1.09 1.24 0.00 -1.46 0.00 0.00 42.92 41.69 3ch3 s ASP 589 CO 0.18 -0.11 1.82 0.06 0.52 0.00 0.00 175.17 177.63 3ch3 h GLN 590 N 8.06 0.00 0.00 4.34 3.07 -1.26 -3.47 115.11 125.85 3ch3 h GLN 590 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3ch3 h GLN 590 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 3ch3 h GLN 590 CO 0.47 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.80 3ch3 n GLY 591 N -0.40 0.07 2.22 0.06 0.00 -1.26 -3.81 105.19 102.07 3ch3 n GLY 591 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 3ch3 n GLY 591 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ch3 n ASN 592 N -0.60 6.50 -4.43 1.61 5.15 -1.26 -4.89 115.26 117.34 3ch3 n ASN 592 Ca 0.00 -3.61 -0.23 0.00 -0.60 0.00 0.00 54.58 50.14 3ch3 n ASN 592 Cb 0.00 -0.95 -0.10 0.00 -0.53 0.00 0.00 39.78 38.20 3ch3 n ASN 592 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ch3 n ASP 594 N -0.46 7.79 -0.72 0.00 8.00 0.56 -4.59 116.55 127.12 3ch3 n ASP 594 Ca -0.07 -3.13 0.08 0.00 0.71 0.00 0.00 54.79 52.38 3ch3 n ASP 594 Cb 0.60 -1.37 0.23 0.00 -0.02 0.00 0.00 41.12 40.55 3ch3 n ASP 594 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ch3 n THR 595 N 1.89 2.22 0.15 -3.53 -2.24 -1.26 -4.03 114.28 107.47 3ch3 n THR 595 Ca 0.61 -2.03 0.11 0.00 -2.27 0.00 0.00 64.05 60.46 3ch3 n THR 595 Cb 0.26 -0.26 0.62 0.00 -2.10 0.00 0.00 70.33 68.85 3ch3 n THR 595 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ch3 h SER 596 N 1.34 0.07 -0.76 3.42 4.64 -1.89 0.14 113.55 120.51 3ch3 h SER 596 Ca 0.01 -0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 3ch3 h SER 596 Cb 1.36 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.38 3ch3 h SER 596 CO 0.18 0.04 0.50 4.11 -0.87 0.00 0.00 176.83 180.79 3ch3 h TRP 597 N 0.08 0.68 -0.00 4.77 5.08 -1.85 0.89 115.95 125.60 3ch3 h TRP 597 Ca 0.10 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.08 3ch3 h TRP 597 Cb 0.29 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.23 3ch3 h TRP 597 CO -0.00 0.31 -0.03 0.82 -1.28 0.00 0.00 178.44 178.26 3ch3 h ILE 598 N 0.63 1.59 -0.46 0.12 2.04 -1.33 -2.45 117.51 117.65 3ch3 h ILE 598 Ca 0.35 -1.79 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3ch3 h ILE 598 Cb 0.53 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 3ch3 h ILE 598 CO -0.13 0.47 0.30 -0.26 0.00 0.00 0.00 178.15 178.53 3ch3 h PHE 599 N -0.71 0.56 -0.17 1.37 -1.00 -1.20 0.89 116.94 116.67 3ch3 h PHE 599 Ca -0.00 0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.60 3ch3 h PHE 599 Cb 0.78 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.15 3ch3 h PHE 599 CO 0.19 0.35 -0.66 0.00 -1.61 0.00 0.00 178.31 176.58 3ch3 h ALA 600 N 1.18 0.51 -0.32 2.45 0.00 -0.93 -1.09 119.26 121.06 3ch3 h ALA 600 Ca 0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3ch3 h ALA 600 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ch3 h ALA 600 CO -0.05 0.70 -0.18 0.77 0.00 0.00 0.00 179.25 180.49 3ch3 h SER 601 N 0.48 0.71 0.11 0.00 0.02 -1.27 -2.16 113.55 111.45 3ch3 h SER 601 Ca -0.02 -0.42 -0.18 0.00 -0.84 0.00 0.00 61.79 60.33 3ch3 h SER 601 Cb 1.25 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 3ch3 h SER 601 CO 0.13 0.98 -0.66 0.07 -1.14 0.00 0.00 176.83 176.21 3ch3 h LYS 602 N 0.45 0.52 -0.78 3.45 2.10 -0.78 -2.18 116.57 119.36 3ch3 h LYS 602 Ca 0.07 -0.38 0.01 0.00 -2.00 0.00 0.00 60.65 58.34 3ch3 h LYS 602 Cb 0.72 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.08 3ch3 h LYS 602 CO 0.05 1.00 0.51 -0.92 -2.00 0.00 0.00 179.45 178.10 3ch3 h TYR 603 N 0.37 0.99 -0.78 0.07 3.20 -1.19 0.17 116.97 119.80 3ch3 h TYR 603 Ca -0.02 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3ch3 h TYR 603 Cb 1.23 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 3ch3 h TYR 603 CO 0.05 0.63 0.48 1.25 -1.64 0.00 0.00 178.16 178.93 3ch3 h HIS 604 N 1.06 0.90 -0.63 -3.82 2.76 -1.07 0.14 115.15 114.49 3ch3 h HIS 604 Ca 0.29 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 3ch3 h HIS 604 Cb -0.12 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.53 3ch3 h HIS 604 CO -0.02 0.49 0.09 1.25 -1.30 0.00 0.00 177.93 178.45 3ch3 h LEU 605 N 0.92 0.99 -0.74 0.26 5.85 -0.81 -1.16 115.31 120.62 3ch3 h LEU 605 Ca 0.32 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ch3 h LEU 605 Cb 0.08 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3ch3 h LEU 605 CO -0.14 0.99 0.42 -0.33 -0.34 0.00 0.00 178.44 179.05 3ch3 h GLU 606 N 0.97 1.01 -0.36 1.25 5.08 0.15 0.13 114.58 122.80 3ch3 h GLU 606 Ca 0.19 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3ch3 h GLU 606 Cb 0.43 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3ch3 h GLU 606 CO 0.01 0.73 -0.30 1.79 -1.00 0.00 0.00 179.01 180.25 3ch3 h THR 607 N 1.01 1.28 -0.79 1.13 1.35 -0.91 -0.76 112.91 115.22 3ch3 h THR 607 Ca 0.26 -1.47 0.09 0.00 -0.55 0.00 0.00 66.41 64.75 3ch3 h THR 607 Cb -0.00 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 67.76 3ch3 h THR 607 CO -0.05 0.49 0.43 0.40 -0.25 0.00 0.00 175.52 176.54 3ch3 h ILE 608 N 0.64 0.89 -0.13 6.82 2.04 -0.82 -1.08 117.51 125.88 3ch3 h ILE 608 Ca 0.07 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3ch3 h ILE 608 Cb 0.88 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3ch3 h ILE 608 CO 0.08 0.13 0.05 0.03 0.00 0.00 0.00 178.15 178.44 3ch3 h ARG 609 N 0.73 0.19 -0.85 2.37 3.08 -0.62 -2.71 114.38 116.57 3ch3 h ARG 609 Ca 0.38 -0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.59 3ch3 h ARG 609 Cb 0.37 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.27 3ch3 h ARG 609 CO -0.25 0.28 0.36 0.00 -1.07 0.00 0.00 179.97 179.29 3ch3 h MET 611 N 0.43 0.00 -0.53 0.00 2.86 -0.98 -1.94 114.93 114.77 3ch3 h MET 611 Ca 0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 3ch3 h MET 611 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3ch3 h MET 611 CO -0.49 0.02 0.00 1.63 1.06 0.00 0.00 176.91 179.14 3ch3 n LYS 612 N -3.14 2.44 -0.31 1.72 4.76 -0.25 -4.96 118.16 118.43 3ch3 n LYS 612 Ca 0.00 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.22 3ch3 n LYS 612 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3ch3 n LYS 612 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ch3 n GLY 613 N 1.49 0.83 3.91 0.72 0.00 -0.73 -2.45 105.19 108.96 3ch3 n GLY 613 Ca 0.21 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3ch3 n GLY 613 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ch3 s TYR 614 N -2.00 3.43 0.72 1.61 1.51 -0.90 -4.43 117.35 117.28 3ch3 s TYR 614 Ca 0.00 0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 56.70 3ch3 s TYR 614 Cb 0.00 -2.56 0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3ch3 s TYR 614 CO 0.00 -0.59 1.25 -1.21 -1.11 0.00 0.00 175.55 173.89 3ch3 s GLU 615 N -4.91 2.16 -1.29 -0.62 0.41 -1.26 -4.41 118.70 108.78 3ch3 s GLU 615 Ca 0.51 1.91 -0.08 0.00 -0.41 0.00 0.00 54.97 56.90 3ch3 s GLU 615 Cb -0.10 -1.82 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 3ch3 s GLU 615 CO 0.46 -1.86 2.76 -0.35 -0.49 0.00 0.00 175.26 175.78 3ch3 n PRO 616 N -2.53 3.09 -3.17 0.39 -0.04 -1.26 -4.72 135.00 126.76 3ch3 n PRO 616 Ca 0.15 -1.88 -0.39 0.00 -0.04 0.00 0.00 63.50 61.34 3ch3 n PRO 616 Cb 0.49 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 3ch3 n PRO 616 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3ch3 s THR 617 N 2.42 5.10 0.18 0.52 2.01 -1.26 -4.76 115.64 119.85 3ch3 s THR 617 Ca 0.61 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 3ch3 s THR 617 Cb 0.17 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 3ch3 s THR 617 CO -0.05 0.24 1.11 -0.54 -0.69 0.00 0.00 174.62 174.70 3ch3 s LYS 618 N 1.02 4.58 0.39 4.92 -0.14 -1.26 -4.97 119.74 124.29 3ch3 s LYS 618 Ca 0.31 1.73 -0.24 0.00 -1.36 0.00 0.00 55.97 56.41 3ch3 s LYS 618 Cb -0.16 -3.27 -0.09 0.00 -1.68 0.00 0.00 37.83 32.62 3ch3 s LYS 618 CO 0.13 0.06 1.04 0.42 -0.76 0.00 0.00 175.35 176.24 3ch3 s ILE 619 N -0.24 3.78 -0.54 2.17 1.01 -1.26 0.03 121.20 126.15 3ch3 s ILE 619 Ca 0.50 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 62.23 3ch3 s ILE 619 Cb -0.30 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3ch3 s ILE 619 CO 0.35 0.01 1.46 -0.55 0.00 0.00 0.00 174.94 176.21 3ch3 s SER 620 N -1.58 6.07 0.28 3.58 0.15 -0.49 -4.18 113.70 117.54 3ch3 s SER 620 Ca 0.57 0.37 -0.00 0.00 0.70 0.00 0.00 55.95 57.59 3ch3 s SER 620 Cb -0.21 -2.54 0.39 0.00 -1.71 0.00 0.00 66.02 61.94 3ch3 s SER 620 CO 0.27 -1.73 1.77 0.00 1.20 0.00 0.00 173.24 174.75 3ch3 h ALA 621 N 11.38 1.15 -0.48 5.45 0.00 -1.91 -2.87 119.26 131.97 3ch3 h ALA 621 Ca -0.27 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3ch3 h ALA 621 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ch3 h ALA 621 CO 1.17 0.55 0.10 1.25 0.00 0.00 0.00 179.25 182.32 3ch3 h LEU 622 N 0.65 0.68 -0.50 0.00 5.85 -1.89 -0.38 115.31 119.73 3ch3 h LEU 622 Ca 0.13 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3ch3 h LEU 622 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3ch3 h LEU 622 CO 0.02 0.68 0.20 0.22 -0.34 0.00 0.00 178.44 179.22 3ch3 h TYR 623 N 0.71 0.76 -0.48 1.25 3.20 -1.75 -0.80 116.97 119.85 3ch3 h TYR 623 Ca 0.16 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3ch3 h TYR 623 Cb 0.28 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3ch3 h TYR 623 CO 0.01 0.63 -0.14 0.28 -1.64 0.00 0.00 178.16 177.31 3ch3 h VAL 624 N 0.67 1.27 -0.94 1.81 2.07 -1.38 -0.38 116.25 119.37 3ch3 h VAL 624 Ca 0.17 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3ch3 h VAL 624 Cb 0.20 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3ch3 h VAL 624 CO -0.01 0.44 0.61 0.00 0.02 0.00 0.00 177.57 178.63 3ch3 h ALA 625 N 0.88 1.22 0.00 1.67 0.00 -0.80 -3.26 119.26 118.97 3ch3 h ALA 625 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ch3 h ALA 625 Cb 0.70 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ch3 h ALA 625 CO 0.05 0.52 -1.09 0.09 0.00 0.00 0.00 179.25 178.83 3ch3 n ASN 626 N -4.47 0.65 -4.17 0.00 5.03 -0.33 -4.75 115.26 107.22 3ch3 n ASN 626 Ca 0.12 -0.45 -0.34 0.00 0.87 0.00 0.00 54.58 54.78 3ch3 n ASN 626 Cb 0.06 0.96 -0.15 0.00 -1.02 0.00 0.00 39.78 39.64 3ch3 n ASN 626 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ch3 s TYR 628 N 1.28 -0.43 0.52 0.00 -0.85 -1.26 -4.78 117.35 111.83 3ch3 s TYR 628 Ca -0.01 0.60 -0.06 0.00 -0.52 0.00 0.00 57.07 57.07 3ch3 s TYR 628 Cb -0.17 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 3ch3 s TYR 628 CO -0.05 -0.48 0.83 0.15 -1.52 0.00 0.00 175.55 174.48 3ch3 s LYS 629 N -1.85 3.45 0.82 -3.49 1.02 -1.26 -4.97 119.74 113.47 3ch3 s LYS 629 Ca -0.02 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.21 3ch3 s LYS 629 Cb -0.01 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3ch3 s LYS 629 CO -0.01 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 3ch3 n GLY 630 N -2.37 -1.87 3.74 -3.33 0.00 -1.26 -4.93 105.19 95.18 3ch3 n GLY 630 Ca 0.02 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 3ch3 n GLY 630 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ch3 s GLU 631 N 0.00 2.90 0.40 1.61 4.04 -1.26 -4.95 118.70 121.45 3ch3 s GLU 631 Ca 0.00 2.08 -0.26 0.00 0.04 0.00 0.00 54.97 56.83 3ch3 s GLU 631 Cb 0.00 -2.04 -0.11 0.00 0.02 0.00 0.00 34.13 32.00 3ch3 s GLU 631 CO 0.00 -1.33 1.20 1.58 -1.84 0.00 0.00 175.26 174.87 3ch3 n HIS 632 N -1.45 1.87 -4.35 4.83 -0.00 -1.26 -5.03 115.22 109.83 3ch3 n HIS 632 Ca 0.13 0.53 -0.20 0.00 -0.00 0.00 0.00 57.72 58.19 3ch3 n HIS 632 Cb 0.47 -2.34 -0.10 0.00 -0.00 0.00 0.00 29.99 28.02 3ch3 n HIS 632 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3ch3 s LYS 633 N -2.08 1.33 -0.91 1.57 1.02 -1.26 -5.09 119.74 114.32 3ch3 s LYS 633 Ca 0.61 -1.54 -0.22 0.00 0.02 0.00 0.00 55.97 54.83 3ch3 s LYS 633 Cb -0.54 -1.21 0.07 0.00 -0.52 0.00 0.00 37.83 35.63 3ch3 s LYS 633 CO 0.58 0.22 1.28 0.34 -0.92 0.00 0.00 175.35 176.85 3ch3 s ASP 634 N -3.13 6.45 0.00 2.83 -1.08 -1.26 -4.86 116.67 115.62 3ch3 s ASP 634 Ca 0.21 -1.41 0.29 0.00 -0.52 0.00 0.00 52.55 51.12 3ch3 s ASP 634 Cb -0.03 -2.50 1.25 0.00 -1.46 0.00 0.00 42.92 40.18 3ch3 s ASP 634 CO 0.07 -1.43 1.93 0.54 0.52 0.00 0.00 175.17 176.80 3ch3 n ARG 635 N 8.18 0.06 -0.05 4.34 5.12 -1.26 -2.66 116.66 130.39 3ch3 n ARG 635 Ca 0.22 -0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.95 3ch3 n ARG 635 Cb 0.50 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.16 3ch3 n ARG 635 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ch3 h ASP 637 N 0.04 0.00 -3.23 0.00 5.19 -1.93 0.16 116.42 116.65 3ch3 h ASP 637 Ca -0.47 -0.20 -0.62 0.00 -0.62 0.00 0.00 57.03 55.11 3ch3 h ASP 637 Cb 2.00 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 41.16 3ch3 h ASP 637 CO 0.02 0.10 -0.85 -1.61 -3.12 0.00 0.00 179.24 173.79 3ch3 s GLU 638 N -3.20 2.54 0.58 3.56 0.41 -1.09 -4.88 118.70 116.62 3ch3 s GLU 638 Ca 0.05 -0.68 -0.13 0.00 -0.41 0.00 0.00 54.97 53.80 3ch3 s GLU 638 Cb 0.13 -2.12 -0.05 0.00 -1.78 0.00 0.00 34.13 30.30 3ch3 s GLU 638 CO 0.74 -0.06 1.02 0.20 -0.49 0.00 0.00 175.26 176.67 3ch3 s GLY 639 N 0.96 1.83 0.00 -1.39 0.00 -1.26 -4.71 107.32 102.76 3ch3 s GLY 639 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.71 3ch3 s GLY 639 CO -0.03 0.32 0.00 -1.26 0.00 0.00 0.00 173.10 172.14 3ch3 n SER 640 N -2.30 0.84 -4.28 1.64 2.88 -1.26 -5.11 113.62 106.02 3ch3 n SER 640 Ca 0.06 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.45 3ch3 n SER 640 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3ch3 n SER 640 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3ch3 s SER 641 N 1.00 1.66 0.50 -3.46 1.04 -1.26 -4.74 113.70 108.44 3ch3 s SER 641 Ca 0.00 -1.13 0.18 0.00 0.48 0.00 0.00 55.95 55.47 3ch3 s SER 641 Cb 0.00 0.03 1.23 0.00 0.10 0.00 0.00 66.02 67.38 3ch3 s SER 641 CO 0.00 -0.46 2.07 -0.65 0.98 0.00 0.00 173.24 175.17 3ch3 h PRO 642 N 2.64 0.12 -0.97 4.02 0.11 -1.99 -1.98 132.00 133.94 3ch3 h PRO 642 Ca -0.37 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.87 3ch3 h PRO 642 Cb 1.21 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 3ch3 h PRO 642 CO 0.64 0.08 0.62 0.52 -0.21 0.00 0.00 178.00 179.64 3ch3 h MET 643 N 0.12 0.86 -0.18 1.05 2.86 -1.97 -2.17 114.93 115.50 3ch3 h MET 643 Ca 0.13 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 3ch3 h MET 643 Cb 0.38 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ch3 h MET 643 CO -0.02 0.57 -0.48 1.49 1.06 0.00 0.00 176.91 179.53 3ch3 h GLU 644 N 0.89 0.46 -0.53 1.72 4.81 -1.77 -1.37 114.58 118.79 3ch3 h GLU 644 Ca 0.49 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 3ch3 h GLU 644 Cb 0.60 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 3ch3 h GLU 644 CO -0.26 0.84 0.15 0.35 -0.73 0.00 0.00 179.01 179.36 3ch3 h PHE 645 N 0.37 0.25 -0.31 0.92 3.57 -1.38 0.10 116.94 120.46 3ch3 h PHE 645 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3ch3 h PHE 645 Cb 0.98 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3ch3 h PHE 645 CO 0.03 0.04 0.04 -0.07 -2.23 0.00 0.00 178.31 176.12 3ch3 h LEU 646 N 0.30 0.50 -0.93 0.59 3.38 -1.24 -2.01 115.31 115.90 3ch3 h LEU 646 Ca 0.27 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3ch3 h LEU 646 Cb 0.34 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3ch3 h LEU 646 CO -0.31 0.65 0.57 -0.61 0.09 0.00 0.00 178.44 178.83 3ch3 h GLN 647 N 0.34 0.92 -0.20 1.13 4.15 -0.76 -0.73 115.11 119.95 3ch3 h GLN 647 Ca 0.09 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3ch3 h GLN 647 Cb 0.37 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3ch3 h GLN 647 CO 0.01 0.61 0.00 0.82 -1.93 0.00 0.00 178.83 178.34 3ch3 h ILE 648 N 0.95 1.25 -0.41 2.39 2.04 -0.61 -1.98 117.51 121.14 3ch3 h ILE 648 Ca 0.44 -0.85 0.09 0.00 1.00 0.00 0.00 64.86 65.54 3ch3 h ILE 648 Cb 0.38 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 3ch3 h ILE 648 CO -0.24 0.26 -0.14 0.40 0.00 0.00 0.00 178.15 178.43 3ch3 h ILE 649 N 0.11 0.51 -0.05 -0.67 2.04 -0.84 -1.64 117.51 116.96 3ch3 h ILE 649 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3ch3 h ILE 649 Cb 0.38 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3ch3 h ILE 649 CO 0.01 0.00 -0.35 -0.33 0.00 0.00 0.00 178.15 177.48 3ch3 h GLU 650 N -0.05 0.09 -0.09 2.37 5.08 -1.05 0.56 114.58 121.48 3ch3 h GLU 650 Ca 0.20 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 3ch3 h GLU 650 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3ch3 h GLU 650 CO -0.46 0.44 -0.81 -0.44 -1.00 0.00 0.00 179.01 176.74 3ch3 h ASP 651 N 0.08 0.70 0.00 1.42 3.32 -1.11 -3.39 116.42 117.44 3ch3 h ASP 651 Ca 0.01 -0.48 -0.31 0.00 0.02 0.00 0.00 57.03 56.27 3ch3 h ASP 651 Cb 0.67 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 3ch3 h ASP 651 CO 0.05 1.26 -2.17 -1.22 -1.72 0.00 0.00 179.24 175.44 3ch3 n TYR 652 N -3.86 0.00 -1.19 4.55 4.01 -0.64 -5.01 117.16 115.02 3ch3 n TYR 652 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 3ch3 n TYR 652 Cb 0.76 -0.80 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3ch3 n TYR 652 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ch3 n GLY 653 N 2.40 0.85 2.77 2.72 0.00 0.19 -4.99 105.19 109.13 3ch3 n GLY 653 Ca -0.35 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 3ch3 n GLY 653 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ch3 s PHE 654 N -2.10 -0.01 -0.28 1.61 5.36 -1.26 -4.79 117.98 116.51 3ch3 s PHE 654 Ca 0.00 0.27 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 3ch3 s PHE 654 Cb 0.00 -0.28 0.08 0.00 -0.34 0.00 0.00 43.02 42.48 3ch3 s PHE 654 CO 0.00 -0.15 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.10 3ch3 s LEU 655 N 1.50 3.24 0.72 6.12 1.43 -1.26 -4.94 118.68 125.50 3ch3 s LEU 655 Ca -0.04 -1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 51.39 3ch3 s LEU 655 Cb -0.12 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.82 3ch3 s LEU 655 CO -0.04 -0.30 1.09 -2.84 0.23 0.00 0.00 176.35 174.49 3ch3 s PRO 656 N 1.25 2.56 0.49 1.29 0.02 -1.26 0.14 135.00 139.50 3ch3 s PRO 656 Ca 0.01 1.20 -0.21 0.00 0.02 0.00 0.00 61.00 62.02 3ch3 s PRO 656 Cb -0.19 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 3ch3 s PRO 656 CO -0.10 -1.41 1.09 0.00 -0.33 0.00 0.00 177.00 176.25 3ch3 s ALA 657 N -2.75 2.84 0.30 -1.55 0.00 -1.22 -1.39 121.76 117.98 3ch3 s ALA 657 Ca 0.62 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.33 3ch3 s ALA 657 Cb -0.18 -3.31 0.71 0.00 0.00 0.00 0.00 23.12 20.35 3ch3 s ALA 657 CO 0.51 -0.51 1.60 1.49 0.00 0.00 0.00 175.76 178.85 3ch3 h GLU 658 N 1.58 0.06 -0.01 0.00 4.57 -0.56 -0.84 114.58 119.38 3ch3 h GLU 658 Ca -0.50 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3ch3 h GLU 658 Cb 1.24 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3ch3 h GLU 658 CO 0.59 0.04 0.00 0.66 -1.18 0.00 0.00 179.01 179.12 3ch3 h SER 659 N 0.06 0.00 0.78 1.04 4.64 -1.93 -0.38 113.55 117.76 3ch3 h SER 659 Ca 0.57 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.77 3ch3 h SER 659 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3ch3 h SER 659 CO -0.83 0.00 -0.54 0.78 -0.87 0.00 0.00 176.83 175.37 3ch3 h ASN 660 N 0.00 0.00 -0.85 4.97 2.35 -1.52 -3.40 115.58 117.12 3ch3 h ASN 660 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 3ch3 h ASN 660 Cb 0.01 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.21 3ch3 h ASN 660 CO -0.00 0.54 -0.53 0.00 -1.65 0.00 0.00 177.43 175.78 3ch3 n TYR 661 N -3.64 -3.47 -2.06 1.19 9.36 -0.64 -5.05 117.16 112.85 3ch3 n TYR 661 Ca -0.01 -1.63 -0.34 0.00 3.32 0.00 0.00 57.90 59.24 3ch3 n TYR 661 Cb 0.60 1.39 0.02 0.00 -0.63 0.00 0.00 39.34 40.72 3ch3 n TYR 661 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3ch3 s PRO 662 N 0.73 3.15 0.01 2.98 0.04 -0.25 -4.49 135.00 137.18 3ch3 s PRO 662 Ca 0.31 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 3ch3 s PRO 662 Cb 0.06 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3ch3 s PRO 662 CO -0.11 -0.99 0.90 -0.47 0.04 0.00 0.00 177.00 176.37 3ch3 s TYR 663 N -2.05 3.68 -0.05 0.56 5.04 -1.26 -4.84 117.35 118.42 3ch3 s TYR 663 Ca 0.70 1.61 -0.02 0.00 -2.44 0.00 0.00 57.07 56.91 3ch3 s TYR 663 Cb -0.22 -3.02 0.03 0.00 0.35 0.00 0.00 41.96 39.11 3ch3 s TYR 663 CO 0.33 0.07 0.08 1.21 -1.34 0.00 0.00 175.55 175.91 3ch3 s ASN 664 N 0.70 0.60 0.52 4.32 3.84 -1.26 -5.05 114.94 118.60 3ch3 s ASN 664 Ca 0.47 0.15 0.18 0.00 0.21 0.00 0.00 52.86 53.86 3ch3 s ASN 664 Cb -0.21 0.00 1.28 0.00 -0.55 0.00 0.00 41.25 41.77 3ch3 s ASN 664 CO 0.26 -0.20 2.11 0.10 -2.79 0.00 0.00 177.10 176.58 3ch3 h TYR 665 N 7.95 0.03 0.00 0.43 -0.00 -1.92 -0.66 116.97 122.80 3ch3 h TYR 665 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.47 3ch3 h TYR 665 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.84 3ch3 h TYR 665 CO 0.47 0.02 0.00 1.33 -0.00 0.00 0.00 178.16 179.98 3ch3 n VAL 666 N -4.50 0.64 1.05 -0.90 0.24 -1.26 -2.34 118.33 111.26 3ch3 n VAL 666 Ca 0.00 0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.58 3ch3 n VAL 666 Cb 0.21 -0.87 0.09 0.00 -1.47 0.00 0.00 33.84 31.79 3ch3 n VAL 666 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ch3 n LYS 667 N -1.37 1.50 -2.00 7.34 5.02 -0.26 -4.91 118.16 123.49 3ch3 n LYS 667 Ca 0.07 -1.20 -0.42 0.00 -2.02 0.00 0.00 58.31 54.73 3ch3 n LYS 667 Cb 0.16 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3ch3 n LYS 667 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ch3 s VAL 668 N -2.33 3.55 0.00 -0.18 1.01 -0.99 -1.69 120.40 119.78 3ch3 s VAL 668 Ca 0.23 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3ch3 s VAL 668 Cb 0.19 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3ch3 s VAL 668 CO 0.48 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3ch3 n GLY 669 N 4.37 2.06 3.72 4.51 0.00 -1.26 -4.71 105.19 113.87 3ch3 n GLY 669 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3ch3 n GLY 669 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ch3 s GLU 670 N -0.08 2.07 0.26 1.61 2.02 -0.68 -4.94 118.70 118.96 3ch3 s GLU 670 Ca 0.00 1.74 -0.30 0.00 0.02 0.00 0.00 54.97 56.43 3ch3 s GLU 670 Cb 0.00 -1.83 -0.13 0.00 0.10 0.00 0.00 34.13 32.27 3ch3 s GLU 670 CO 0.00 -1.88 1.32 0.00 0.02 0.00 0.00 175.26 174.72 3ch3 n GLN 671 N -2.82 1.90 -1.65 1.61 -0.00 -1.26 -4.78 117.38 110.37 3ch3 n GLN 671 Ca 0.13 0.67 -0.51 0.00 -0.00 0.00 0.00 57.00 57.29 3ch3 n GLN 671 Cb 0.50 -2.27 -0.06 0.00 -0.00 0.00 0.00 30.24 28.41 3ch3 n GLN 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ch3 s PRO 673 N 1.83 4.03 0.18 0.00 0.04 -1.26 -5.01 135.00 134.81 3ch3 s PRO 673 Ca 0.88 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 3ch3 s PRO 673 Cb -0.88 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 3ch3 s PRO 673 CO 0.50 -0.21 1.31 -1.59 0.04 0.00 0.00 177.00 177.05 3ch3 s LYS 674 N -3.30 4.39 -0.00 4.56 0.00 -1.26 -4.97 119.74 119.15 3ch3 s LYS 674 Ca 0.64 2.03 -0.30 0.00 0.00 0.00 0.00 55.97 58.34 3ch3 s LYS 674 Cb -0.12 -3.21 -0.06 0.00 0.00 0.00 0.00 37.83 34.45 3ch3 s LYS 674 CO 0.18 -0.27 1.45 0.08 0.00 0.00 0.00 175.35 176.79 3ch3 s VAL 675 N 0.28 3.64 0.31 1.79 1.01 -1.26 -5.02 120.40 121.15 3ch3 s VAL 675 Ca 0.58 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 3ch3 s VAL 675 Cb -0.36 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3ch3 s VAL 675 CO 0.37 -0.01 0.60 -1.61 0.00 0.00 0.00 175.10 174.44 3ch3 s GLU 676 N 2.64 3.66 0.43 2.72 2.02 -1.26 -4.99 118.70 123.91 3ch3 s GLU 676 Ca 0.66 0.09 0.17 0.00 0.02 0.00 0.00 54.97 55.90 3ch3 s GLU 676 Cb -0.32 -2.60 1.07 0.00 0.10 0.00 0.00 34.13 32.39 3ch3 s GLU 676 CO 0.27 0.16 1.89 0.38 0.02 0.00 0.00 175.26 177.98 3ch3 h ASP 677 N 1.57 0.39 0.30 -0.19 2.03 -2.05 -2.16 116.42 116.31 3ch3 h ASP 677 Ca -0.48 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3ch3 h ASP 677 Cb 1.19 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 3ch3 h ASP 677 CO 0.66 0.18 -0.14 0.00 -1.03 0.00 0.00 179.24 178.91 3ch3 n HIS 678 N -4.49 0.00 -2.13 4.15 1.44 -1.26 -4.84 115.22 108.10 3ch3 n HIS 678 Ca 0.16 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.46 3ch3 n HIS 678 Cb 0.61 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.54 3ch3 n HIS 678 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3ch3 s TRP 679 N -2.45 3.14 0.26 -1.40 0.52 -0.82 -5.02 118.94 113.18 3ch3 s TRP 679 Ca 0.28 1.16 -0.15 0.00 0.02 0.00 0.00 56.10 57.42 3ch3 s TRP 679 Cb 0.20 -3.70 -0.08 0.00 -1.15 0.00 0.00 33.47 28.74 3ch3 s TRP 679 CO 0.48 -2.19 0.68 0.00 0.02 0.00 0.00 176.95 175.94 3ch3 s MET 680 N -0.39 4.03 -0.45 4.98 0.23 -1.26 -4.97 119.30 121.46 3ch3 s MET 680 Ca 0.57 0.63 -0.13 0.00 -1.03 0.00 0.00 55.69 55.74 3ch3 s MET 680 Cb -0.39 -2.64 0.08 0.00 -1.53 0.00 0.00 34.83 30.35 3ch3 s MET 680 CO 0.42 0.28 0.34 1.21 -2.03 0.00 0.00 175.02 175.23 3ch3 s ASN 681 N -2.07 5.92 0.00 -1.18 3.84 -1.26 -3.45 114.94 116.74 3ch3 s ASN 681 Ca 0.48 -1.43 0.26 0.00 0.21 0.00 0.00 52.86 52.39 3ch3 s ASN 681 Cb -0.13 -2.10 1.53 0.00 -0.55 0.00 0.00 41.25 40.01 3ch3 s ASN 681 CO 0.19 -0.61 1.91 0.18 -2.79 0.00 0.00 177.10 175.98 3ch3 n LEU 682 N 5.08 0.00 -0.52 3.21 4.77 0.12 -2.46 117.00 127.19 3ch3 n LEU 682 Ca -0.11 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3ch3 n LEU 682 Cb 0.43 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.57 3ch3 n LEU 682 CO 0.44 -0.01 0.50 1.87 -1.33 0.00 0.00 177.39 178.86 3ch3 n TRP 683 N -1.03 0.16 -1.61 -1.77 -0.00 -1.26 -4.93 117.44 106.99 3ch3 n TRP 683 Ca 0.19 -0.17 -0.61 0.00 -0.00 0.00 0.00 57.50 56.90 3ch3 n TRP 683 Cb 0.10 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.31 31.32 3ch3 n TRP 683 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 3ch3 n ASP 684 N 0.60 0.75 0.00 5.87 4.64 -1.03 -0.21 116.55 127.17 3ch3 n ASP 684 Ca 0.08 1.16 0.00 0.00 -1.38 0.00 0.00 54.79 54.65 3ch3 n ASP 684 Cb 0.33 -0.95 0.00 0.00 -1.04 0.00 0.00 41.12 39.47 3ch3 n ASP 684 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3ch3 n ASN 685 N 2.74 -0.48 -4.77 1.67 3.02 -1.26 -4.95 115.26 111.24 3ch3 n ASN 685 Ca 0.24 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.41 3ch3 n ASN 685 Cb 0.05 -1.45 -0.00 0.00 -0.61 0.00 0.00 39.78 37.76 3ch3 n ASN 685 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ch3 s GLY 686 N -2.00 2.85 -0.02 7.41 0.00 0.70 -4.59 107.32 111.67 3ch3 s GLY 686 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 44.72 45.81 3ch3 s GLY 686 CO 0.00 1.57 -0.08 0.54 0.00 0.00 0.00 173.10 175.13 3ch3 s LYS 687 N -2.53 0.81 -0.22 2.90 -0.14 -0.24 -5.00 119.74 115.32 3ch3 s LYS 687 Ca 0.62 -0.28 -0.19 0.00 -1.36 0.00 0.00 55.97 54.76 3ch3 s LYS 687 Cb -0.33 -0.77 -0.03 0.00 -1.68 0.00 0.00 37.83 35.02 3ch3 s LYS 687 CO 0.41 0.12 0.55 0.42 -0.76 0.00 0.00 175.35 176.09 3ch3 s ILE 688 N 0.10 5.07 0.34 2.17 -1.09 -1.26 0.11 121.20 126.64 3ch3 s ILE 688 Ca -0.01 1.00 -0.27 0.00 -2.23 0.00 0.00 60.65 59.14 3ch3 s ILE 688 Cb -0.07 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 3ch3 s ILE 688 CO 0.00 0.13 1.07 -0.76 -1.23 0.00 0.00 174.94 174.14 3ch3 s LEU 689 N 1.92 4.33 -0.07 2.97 1.43 0.18 -4.92 118.68 124.53 3ch3 s LEU 689 Ca 0.25 2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 55.33 3ch3 s LEU 689 Cb -0.16 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 3ch3 s LEU 689 CO 0.09 -0.32 0.38 -1.38 0.23 0.00 0.00 176.35 175.35 3ch3 s HIS 690 N -1.43 3.62 -0.03 0.29 0.00 -1.26 -3.65 115.29 112.83 3ch3 s HIS 690 Ca 0.52 0.85 0.04 0.00 -3.00 0.00 0.00 55.06 53.47 3ch3 s HIS 690 Cb -0.26 -2.33 0.06 0.00 -4.00 0.00 0.00 32.58 26.05 3ch3 s HIS 690 CO 0.33 0.47 0.90 0.41 -1.00 0.00 0.00 174.74 175.86 3ch3 n GLY 700 N 2.46 1.55 0.17 -1.38 0.00 -1.26 -5.04 105.19 101.68 3ch3 n GLY 700 Ca -0.13 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.75 3ch3 n GLY 700 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ch3 h LYS 701 N 0.00 0.00 0.00 1.61 1.57 -2.02 -3.47 116.57 114.26 3ch3 h LYS 701 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ch3 h LYS 701 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3ch3 h LYS 701 CO 0.00 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.39 3ch3 n GLY 702 N 1.16 0.96 3.21 3.86 0.00 -1.24 -5.05 105.19 108.09 3ch3 n GLY 702 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3ch3 n GLY 702 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ch3 s TYR 703 N -2.25 0.57 -0.03 1.61 -0.85 -1.26 -0.85 117.35 114.28 3ch3 s TYR 703 Ca 0.00 -0.97 0.05 0.00 -0.52 0.00 0.00 57.07 55.63 3ch3 s TYR 703 Cb 0.00 -0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.06 3ch3 s TYR 703 CO 0.00 -0.57 -0.18 0.99 -1.52 0.00 0.00 175.55 174.28 3ch3 s THR 704 N -3.98 1.43 0.06 -3.49 2.01 0.42 -4.90 115.64 107.20 3ch3 s THR 704 Ca 0.17 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3ch3 s THR 704 Cb 0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 3ch3 s THR 704 CO -0.02 0.41 -0.14 0.00 -0.69 0.00 0.00 174.62 174.18 3ch3 s ALA 705 N -0.18 1.14 0.01 7.40 0.00 -1.26 -0.44 121.76 128.42 3ch3 s ALA 705 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3ch3 s ALA 705 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3ch3 s ALA 705 CO 0.01 0.17 -0.06 0.71 0.00 0.00 0.00 175.76 176.58 3ch3 s TYR 706 N -1.21 0.54 -0.19 0.00 1.51 -0.22 -5.00 117.35 112.77 3ch3 s TYR 706 Ca -0.02 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3ch3 s TYR 706 Cb -0.10 -0.34 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 3ch3 s TYR 706 CO 0.02 -0.02 -0.01 -1.21 -1.11 0.00 0.00 175.55 173.21 3ch3 s GLU 707 N -0.43 3.60 0.34 -0.62 0.41 -1.26 -0.99 118.70 119.74 3ch3 s GLU 707 Ca -0.00 -0.53 0.05 0.00 -0.41 0.00 0.00 54.97 54.08 3ch3 s GLU 707 Cb -0.04 -3.04 0.70 0.00 -1.78 0.00 0.00 34.13 29.98 3ch3 s GLU 707 CO -0.00 0.03 1.90 0.66 -0.49 0.00 0.00 175.26 177.36 3ch3 h SER 708 N 7.41 0.74 0.37 -0.19 4.64 -1.59 -1.13 113.55 123.80 3ch3 h SER 708 Ca -0.35 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3ch3 h SER 708 Cb 1.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ch3 h SER 708 CO 0.61 0.43 -0.09 1.05 -0.87 0.00 0.00 176.83 177.96 3ch3 h GLU 709 N 0.82 0.00 0.00 4.77 -0.00 -1.88 0.72 114.58 119.00 3ch3 h GLU 709 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.76 3ch3 h GLU 709 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 3ch3 h GLU 709 CO -0.17 0.09 0.00 0.54 -0.00 0.00 0.00 179.01 179.48 3ch3 n ARG 710 N -3.55 0.07 -0.36 1.06 1.74 -0.43 -2.94 116.66 112.25 3ch3 n ARG 710 Ca -0.02 0.08 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 3ch3 n ARG 710 Cb 0.22 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.36 3ch3 n ARG 710 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ch3 n PHE 711 N -1.46 0.53 -0.17 -1.55 3.01 0.23 -4.77 117.46 113.29 3ch3 n PHE 711 Ca 0.07 -1.08 0.11 0.00 1.01 0.00 0.00 57.45 57.57 3ch3 n PHE 711 Cb 0.26 -0.27 0.44 0.00 -0.01 0.00 0.00 39.48 39.90 3ch3 n PHE 711 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3ch3 h HIS 712 N 0.94 0.62 -0.41 1.38 2.76 -1.41 -1.03 115.15 117.99 3ch3 h HIS 712 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3ch3 h HIS 712 Cb 1.27 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.03 3ch3 h HIS 712 CO 0.40 0.28 0.00 -0.25 -1.30 0.00 0.00 177.93 177.06 3ch3 n ASP 713 N -4.49 3.99 -2.92 3.26 8.00 -1.26 -4.39 116.55 118.74 3ch3 n ASP 713 Ca 0.13 -2.58 -0.13 0.00 0.71 0.00 0.00 54.79 52.92 3ch3 n ASP 713 Cb 0.39 -0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3ch3 n ASP 713 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ch3 n ASN 714 N 0.30 -1.06 0.09 -2.24 6.94 -0.50 -5.00 115.26 113.78 3ch3 n ASN 714 Ca 0.20 -3.39 0.06 0.00 -0.02 0.00 0.00 54.58 51.43 3ch3 n ASN 714 Cb 0.79 0.86 0.51 0.00 -2.36 0.00 0.00 39.78 39.58 3ch3 n ASN 714 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 3ch3 h MET 715 N 3.07 0.33 -0.74 -3.83 4.05 -1.46 -2.04 114.93 114.31 3ch3 h MET 715 Ca -0.02 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.50 3ch3 h MET 715 Cb 1.04 -0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.68 3ch3 h MET 715 CO 0.29 0.22 0.33 -0.44 0.23 0.00 0.00 176.91 177.54 3ch3 h ASP 716 N 0.34 0.36 -0.39 1.39 3.32 -1.95 -1.54 116.42 117.95 3ch3 h ASP 716 Ca 0.10 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3ch3 h ASP 716 Cb -0.01 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3ch3 h ASP 716 CO -0.02 0.17 -0.11 0.00 -1.72 0.00 0.00 179.24 177.56 3ch3 h ALA 717 N 1.50 0.94 0.14 3.45 0.00 -1.75 -0.47 119.26 123.07 3ch3 h ALA 717 Ca 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ch3 h ALA 717 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ch3 h ALA 717 CO -0.35 0.62 -0.07 0.35 0.00 0.00 0.00 179.25 179.80 3ch3 h PHE 718 N 0.76 -0.17 -0.16 0.00 3.57 -1.49 -0.69 116.94 118.75 3ch3 h PHE 718 Ca 0.13 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3ch3 h PHE 718 Cb 0.61 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3ch3 h PHE 718 CO 0.03 -0.05 -0.10 0.28 -2.23 0.00 0.00 178.31 176.24 3ch3 h VAL 719 N -0.25 0.69 -0.61 1.41 2.07 -1.13 -2.07 116.25 116.36 3ch3 h VAL 719 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3ch3 h VAL 719 Cb 0.20 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3ch3 h VAL 719 CO 0.03 0.00 0.23 0.11 0.02 0.00 0.00 177.57 177.96 3ch3 h LYS 720 N -0.10 0.40 -0.47 1.57 6.56 -1.03 -0.03 116.57 123.48 3ch3 h LYS 720 Ca 0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 3ch3 h LYS 720 Cb 0.24 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 3ch3 h LYS 720 CO -0.22 0.26 0.31 0.82 -2.06 0.00 0.00 179.45 178.56 3ch3 h ILE 721 N 0.41 1.12 -0.24 1.86 2.04 -0.76 -1.49 117.51 120.45 3ch3 h ILE 721 Ca 0.31 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 3ch3 h ILE 721 Cb 0.38 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3ch3 h ILE 721 CO -0.30 0.12 -0.20 0.40 0.00 0.00 0.00 178.15 178.16 3ch3 h ILE 722 N 0.63 1.31 -0.47 -0.67 2.04 -0.96 -2.38 117.51 117.01 3ch3 h ILE 722 Ca 0.17 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.73 3ch3 h ILE 722 Cb -0.07 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 3ch3 h ILE 722 CO -0.04 0.42 0.21 0.11 0.00 0.00 0.00 178.15 178.85 3ch3 h LYS 723 N 0.27 0.40 -0.44 2.37 1.57 -0.83 0.19 116.57 120.09 3ch3 h LYS 723 Ca 0.04 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3ch3 h LYS 723 Cb 0.75 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3ch3 h LYS 723 CO 0.05 0.27 0.27 1.15 -0.57 0.00 0.00 179.45 180.61 3ch3 h THR 724 N 0.41 1.06 -0.31 -0.16 2.02 -1.17 -0.44 112.91 114.32 3ch3 h THR 724 Ca 0.21 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 3ch3 h THR 724 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3ch3 h THR 724 CO -0.18 0.10 -0.44 -0.33 0.37 0.00 0.00 175.52 175.04 3ch3 h GLU 725 N 0.54 0.80 -0.62 6.66 4.39 -1.15 -0.69 114.58 124.50 3ch3 h GLU 725 Ca 0.18 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3ch3 h GLU 725 Cb 0.00 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3ch3 h GLU 725 CO -0.07 1.07 0.40 0.28 -1.16 0.00 0.00 179.01 179.53 3ch3 h VAL 726 N 0.64 1.17 -0.37 3.13 2.07 -0.71 0.22 116.25 122.39 3ch3 h VAL 726 Ca 0.04 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ch3 h VAL 726 Cb 1.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ch3 h VAL 726 CO 0.10 0.16 0.23 0.24 0.02 0.00 0.00 177.57 178.32 3ch3 h MET 727 N 0.84 0.45 0.18 1.57 2.86 -0.90 -0.70 114.93 119.23 3ch3 h MET 727 Ca 0.23 -0.03 -0.32 0.00 -2.06 0.00 0.00 59.70 57.52 3ch3 h MET 727 Cb -0.08 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.49 3ch3 h MET 727 CO -0.05 0.30 -1.55 -0.91 1.06 0.00 0.00 176.91 175.75 3ch3 h ASN 728 N 0.46 0.58 0.00 1.22 2.35 -0.88 -3.37 115.58 115.94 3ch3 h ASN 728 Ca 0.14 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 3ch3 h ASN 728 Cb -0.01 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3ch3 h ASN 728 CO -0.06 1.71 -1.19 0.29 -1.65 0.00 0.00 177.43 176.53 3ch3 n LYS 729 N -3.74 0.59 0.00 0.81 5.02 0.74 -4.94 118.16 116.64 3ch3 n LYS 729 Ca -0.23 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3ch3 n LYS 729 Cb 1.02 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3ch3 n LYS 729 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ch3 n GLY 730 N 1.43 1.89 3.61 0.72 0.00 -0.27 -2.36 105.19 110.21 3ch3 n GLY 730 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3ch3 n GLY 730 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ch3 s SER 731 N -2.01 -0.08 0.24 1.61 1.04 -1.23 -4.74 113.70 108.53 3ch3 s SER 731 Ca 0.00 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.41 3ch3 s SER 731 Cb 0.00 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3ch3 s SER 731 CO 0.00 -0.26 -0.06 0.68 0.98 0.00 0.00 173.24 174.58 3ch3 s VAL 732 N -2.39 1.42 0.01 5.02 -7.23 -0.82 -4.42 120.40 111.99 3ch3 s VAL 732 Ca 0.12 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3ch3 s VAL 732 Cb 0.03 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3ch3 s VAL 732 CO -0.04 -0.41 0.56 -0.63 -0.31 0.00 0.00 175.10 174.28 3ch3 s ILE 733 N -3.16 4.89 0.08 -0.62 1.01 -0.45 -1.96 121.20 121.00 3ch3 s ILE 733 Ca 0.27 1.18 0.06 0.00 0.00 0.00 0.00 60.65 62.16 3ch3 s ILE 733 Cb 0.03 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3ch3 s ILE 733 CO 0.09 0.46 -0.17 0.00 0.00 0.00 0.00 174.94 175.33 3ch3 s ALA 734 N -0.46 1.41 -0.11 9.38 0.00 -0.33 -0.48 121.76 131.16 3ch3 s ALA 734 Ca 0.29 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3ch3 s ALA 734 Cb -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3ch3 s ALA 734 CO 0.17 0.23 -0.10 0.71 0.00 0.00 0.00 175.76 176.77 3ch3 s TYR 735 N -1.27 2.87 0.23 0.00 1.51 -0.02 -0.55 117.35 120.12 3ch3 s TYR 735 Ca 0.01 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3ch3 s TYR 735 Cb -0.10 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 3ch3 s TYR 735 CO 0.03 -0.00 0.00 0.96 -1.11 0.00 0.00 175.55 175.43 3ch3 s ILE 736 N -0.04 0.99 -0.24 2.71 -4.36 -0.41 -1.27 121.20 118.58 3ch3 s ILE 736 Ca -0.01 -2.03 -0.24 0.00 -0.26 0.00 0.00 60.65 58.11 3ch3 s ILE 736 Cb -0.14 -2.34 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 3ch3 s ILE 736 CO 0.03 -0.32 0.79 -0.75 0.24 0.00 0.00 174.94 174.94 3ch3 s LYS 737 N -3.87 4.18 0.38 0.37 2.47 -1.26 -1.19 119.74 120.81 3ch3 s LYS 737 Ca 0.29 0.87 0.08 0.00 -1.56 0.00 0.00 55.97 55.65 3ch3 s LYS 737 Cb 0.06 -3.64 0.82 0.00 -1.46 0.00 0.00 37.83 33.61 3ch3 s LYS 737 CO 0.09 -0.48 1.94 0.00 0.16 0.00 0.00 175.35 177.05 3ch3 h ALA 738 N 7.69 1.81 -0.32 3.13 0.00 -1.90 -0.50 119.26 129.17 3ch3 h ALA 738 Ca -0.24 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ch3 h ALA 738 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ch3 h ALA 738 CO 0.85 0.04 0.23 1.49 0.00 0.00 0.00 179.25 181.86 3ch3 h GLU 739 N 0.67 0.00 0.00 0.00 4.81 -1.98 -1.19 114.58 116.88 3ch3 h GLU 739 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3ch3 h GLU 739 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3ch3 h GLU 739 CO -0.12 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.25 3ch3 h ASN 740 N 0.00 0.00 -0.37 1.04 2.35 -1.43 -1.56 115.58 115.62 3ch3 h ASN 740 Ca 0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3ch3 h ASN 740 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3ch3 h ASN 740 CO -0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 3ch3 n VAL 741 N -2.92 2.46 -1.27 2.81 0.24 -0.45 -4.52 118.33 114.68 3ch3 n VAL 741 Ca -0.00 -1.74 0.01 0.00 -2.04 0.00 0.00 64.34 60.56 3ch3 n VAL 741 Cb 0.23 -0.27 0.22 0.00 -1.47 0.00 0.00 33.84 32.55 3ch3 n VAL 741 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3ch3 n MET 742 N -0.16 2.17 -1.68 7.34 2.81 -0.59 -4.94 117.12 122.06 3ch3 n MET 742 Ca 0.24 -3.03 -0.43 0.00 -1.81 0.00 0.00 57.70 52.67 3ch3 n MET 742 Cb 1.00 -1.81 -0.01 0.00 -0.71 0.00 0.00 33.22 31.70 3ch3 n MET 742 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ch3 n GLY 743 N -0.94 0.47 0.30 3.03 0.00 -1.26 -4.84 105.19 101.96 3ch3 n GLY 743 Ca 0.28 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.77 3ch3 n GLY 743 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ch3 h TYR 744 N 2.46 0.00 -0.39 1.61 -0.00 -1.97 -1.27 116.97 117.41 3ch3 h TYR 744 Ca -0.45 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 57.99 3ch3 h TYR 744 Cb 1.29 0.00 -0.23 0.00 0.00 0.00 0.00 36.73 37.79 3ch3 h TYR 744 CO 0.50 0.00 -0.67 -0.85 -0.00 0.00 0.00 178.16 177.14 3ch3 n GLU 745 N -3.88 2.64 -1.67 0.10 0.28 -1.26 -5.04 120.64 111.81 3ch3 n GLU 745 Ca -0.03 -3.75 -0.49 0.00 -0.16 0.00 0.00 57.16 52.73 3ch3 n GLU 745 Cb 0.10 -1.96 -0.05 0.00 1.43 0.00 0.00 31.44 30.97 3ch3 n GLU 745 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3ch3 n PHE 746 N -0.90 2.22 -4.04 -1.84 7.35 -0.48 -4.95 117.46 114.82 3ch3 n PHE 746 Ca 0.32 0.19 -0.30 0.00 -0.76 0.00 0.00 57.45 56.90 3ch3 n PHE 746 Cb 0.84 -2.58 -0.17 0.00 0.35 0.00 0.00 39.48 37.92 3ch3 n PHE 746 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3ch3 s SER 747 N 2.75 2.60 0.65 -2.13 0.15 -1.26 -4.98 113.70 111.49 3ch3 s SER 747 Ca 0.88 -0.46 0.36 0.00 0.70 0.00 0.00 55.95 57.43 3ch3 s SER 747 Cb -0.75 -1.13 1.96 0.00 -1.71 0.00 0.00 66.02 64.40 3ch3 s SER 747 CO 0.48 -0.06 2.14 1.23 1.20 0.00 0.00 173.24 178.23 3ch3 h GLY 748 N 8.01 0.00 0.62 9.45 0.00 -1.90 -2.64 103.07 116.62 3ch3 h GLY 748 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ch3 h GLY 748 CO 0.51 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.63 3ch3 n LYS 749 N -3.13 0.96 -4.37 4.80 0.00 -1.26 -4.40 118.16 110.76 3ch3 n LYS 749 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.04 3ch3 n LYS 749 Cb 0.25 -1.31 -0.13 0.00 -0.00 0.00 0.00 35.03 33.84 3ch3 n LYS 749 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3ch3 s LYS 750 N -2.00 1.21 -0.27 -1.58 1.02 -1.00 -5.09 119.74 112.04 3ch3 s LYS 750 Ca 0.29 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 3ch3 s LYS 750 Cb 0.13 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 3ch3 s LYS 750 CO 0.22 0.35 1.20 0.08 -0.92 0.00 0.00 175.35 176.28 3ch3 s VAL 751 N -1.08 4.34 0.31 3.17 1.01 -1.26 -4.46 120.40 122.43 3ch3 s VAL 751 Ca 0.08 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 3ch3 s VAL 751 Cb -0.10 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 3ch3 s VAL 751 CO 0.04 -0.36 1.12 -1.10 0.00 0.00 0.00 175.10 174.80 3ch3 s GLN 752 N 3.75 4.49 -0.53 2.72 -1.52 -0.02 -4.80 119.66 123.75 3ch3 s GLN 752 Ca 0.51 1.82 0.01 0.00 -1.95 0.00 0.00 55.36 55.75 3ch3 s GLN 752 Cb -0.16 -3.05 0.14 0.00 -0.22 0.00 0.00 33.01 29.72 3ch3 s GLN 752 CO 0.17 0.07 0.30 1.21 -0.25 0.00 0.00 175.29 176.79 3ch3 s ASN 753 N -0.94 4.83 0.08 5.90 2.47 -1.26 -0.74 114.94 125.28 3ch3 s ASN 753 Ca 0.48 -2.76 0.10 0.00 0.42 0.00 0.00 52.86 51.10 3ch3 s ASN 753 Cb -0.32 -1.74 -0.03 0.00 -1.45 0.00 0.00 41.25 37.71 3ch3 s ASN 753 CO 0.41 -0.33 -0.25 -0.76 -3.72 0.00 0.00 177.10 172.44 3ch3 s LEU 754 N 0.08 2.31 0.36 3.21 1.43 -1.26 -4.65 118.68 120.16 3ch3 s LEU 754 Ca 0.15 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3ch3 s LEU 754 Cb -0.23 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3ch3 s LEU 754 CO -0.03 0.22 0.59 0.00 0.23 0.00 0.00 176.35 177.36 3ch3 n GLY 756 N -1.78 2.17 3.61 0.00 0.00 -0.02 -4.51 105.19 104.64 3ch3 n GLY 756 Ca -0.04 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 3ch3 n GLY 756 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ch3 s ASP 757 N -1.06 3.47 0.58 1.61 1.11 -1.26 -4.51 116.67 116.61 3ch3 s ASP 757 Ca 0.01 -1.49 0.36 0.00 0.18 0.00 0.00 52.55 51.61 3ch3 s ASP 757 Cb -0.00 0.03 1.67 0.00 1.07 0.00 0.00 42.92 45.68 3ch3 s ASP 757 CO 0.01 -0.65 2.10 -2.24 1.18 0.00 0.00 175.17 175.56 3ch3 h ASP 758 N 1.74 0.00 -3.86 0.27 2.03 -1.96 -3.45 116.42 111.19 3ch3 h ASP 758 Ca -0.42 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.37 3ch3 h ASP 758 Cb 1.26 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.63 3ch3 h ASP 758 CO 0.74 0.02 -0.53 0.42 -1.03 0.00 0.00 179.24 178.86 3ch3 s THR 759 N -3.86 0.49 0.17 1.15 -4.23 -1.26 -5.15 115.64 102.96 3ch3 s THR 759 Ca -0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3ch3 s THR 759 Cb 0.11 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 3ch3 s THR 759 CO 0.51 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.75 3ch3 s ALA 760 N -3.34 0.78 0.00 3.99 0.00 -1.26 -4.38 121.76 117.55 3ch3 s ALA 760 Ca 0.29 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3ch3 s ALA 760 Cb 0.03 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.26 3ch3 s ALA 760 CO 0.17 -0.58 0.02 -0.40 0.00 0.00 0.00 175.76 174.96 3ch3 n ASP 761 N -0.21 0.00 -3.72 0.00 5.68 -0.34 -4.89 116.55 113.08 3ch3 n ASP 761 Ca -0.02 -1.00 -0.14 0.00 -0.50 0.00 0.00 54.79 53.13 3ch3 n ASP 761 Cb 0.64 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.48 3ch3 n ASP 761 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3ch3 s HIS 762 N 0.00 -0.25 -0.02 2.11 5.04 -0.41 -4.89 115.29 116.86 3ch3 s HIS 762 Ca 0.00 0.66 -0.18 0.00 -1.54 0.00 0.00 55.06 54.00 3ch3 s HIS 762 Cb 0.00 -0.05 -0.05 0.00 0.04 0.00 0.00 32.58 32.51 3ch3 s HIS 762 CO 0.00 -0.23 0.51 0.00 -2.34 0.00 0.00 174.74 172.69 3ch3 s ALA 763 N 1.49 3.55 0.26 1.58 0.00 -1.26 -1.29 121.76 126.08 3ch3 s ALA 763 Ca -0.07 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3ch3 s ALA 763 Cb -0.11 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 3ch3 s ALA 763 CO -0.07 0.23 0.14 1.33 0.00 0.00 0.00 175.76 177.38 3ch3 n VAL 764 N 2.64 0.00 -4.74 0.00 0.24 0.28 -4.72 118.33 112.03 3ch3 n VAL 764 Ca -0.09 -1.64 -0.24 0.00 -2.04 0.00 0.00 64.34 60.32 3ch3 n VAL 764 Cb 0.51 0.69 -0.15 0.00 -1.47 0.00 0.00 33.84 33.42 3ch3 n VAL 764 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3ch3 s ASN 765 N -2.66 2.05 -0.15 -1.34 0.01 -0.84 -1.19 114.94 110.82 3ch3 s ASN 765 Ca 0.20 -0.36 -0.18 0.00 -0.71 0.00 0.00 52.86 51.81 3ch3 s ASN 765 Cb 0.01 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 3ch3 s ASN 765 CO 0.14 0.18 0.48 -0.63 -1.51 0.00 0.00 177.10 175.77 3ch3 s ILE 766 N -0.51 5.16 0.00 0.60 1.01 -0.83 -0.39 121.20 126.24 3ch3 s ILE 766 Ca 0.06 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3ch3 s ILE 766 Cb -0.07 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3ch3 s ILE 766 CO -0.00 0.27 0.31 1.33 0.00 0.00 0.00 174.94 176.85 3ch3 n VAL 767 N 4.01 0.00 -3.05 2.92 0.24 -0.09 -1.95 118.33 120.41 3ch3 n VAL 767 Ca -0.06 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3ch3 n VAL 767 Cb 0.51 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 3ch3 n VAL 767 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ch3 n GLY 768 N 0.25 -1.23 3.60 7.63 0.00 -1.20 -4.66 105.19 109.57 3ch3 n GLY 768 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 3ch3 n GLY 768 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ch3 s TYR 769 N -3.00 -0.14 0.02 1.61 1.13 -0.31 -0.63 117.35 116.02 3ch3 s TYR 769 Ca 0.00 0.05 -0.21 0.00 -1.41 0.00 0.00 57.07 55.50 3ch3 s TYR 769 Cb 0.00 0.53 0.07 0.00 -1.10 0.00 0.00 41.96 41.46 3ch3 s TYR 769 CO 0.00 -0.31 0.98 0.41 -2.51 0.00 0.00 175.55 174.12 3ch3 n GLY 770 N -0.23 0.40 3.86 5.49 0.00 -0.76 -0.74 105.19 113.21 3ch3 n GLY 770 Ca -0.03 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 3ch3 n GLY 770 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ch3 s ASN 771 N -3.20 5.93 0.24 1.61 0.01 -1.26 -0.59 114.94 117.69 3ch3 s ASN 771 Ca 0.23 0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 52.31 3ch3 s ASN 771 Cb -0.01 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 3ch3 s ASN 771 CO 0.01 0.10 0.46 -0.72 -1.51 0.00 0.00 177.10 175.43 3ch3 s TYR 772 N -1.65 0.39 -0.18 2.20 -0.85 -0.07 -4.92 117.35 112.28 3ch3 s TYR 772 Ca 0.32 -0.75 -0.04 0.00 -0.52 0.00 0.00 57.07 56.09 3ch3 s TYR 772 Cb -0.11 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 3ch3 s TYR 772 CO 0.26 -0.97 -0.04 0.08 -1.52 0.00 0.00 175.55 173.36 3ch3 s VAL 773 N -4.02 3.75 0.62 -3.49 1.01 -1.26 -0.58 120.40 116.43 3ch3 s VAL 773 Ca 0.23 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3ch3 s VAL 773 Cb -0.00 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.85 3ch3 s VAL 773 CO 0.09 0.47 0.85 -0.46 0.00 0.00 0.00 175.10 176.04 3ch3 n ASN 774 N 3.94 0.34 0.31 3.32 0.23 -0.21 -4.86 115.26 118.32 3ch3 n ASN 774 Ca -0.17 -1.47 0.21 0.00 -0.53 0.00 0.00 54.58 52.61 3ch3 n ASN 774 Cb 0.52 -0.62 1.04 0.00 -2.08 0.00 0.00 39.78 38.64 3ch3 n ASN 774 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ch3 h SER 775 N -0.96 0.00 -0.40 0.53 4.64 -1.99 -0.67 113.55 114.70 3ch3 h SER 775 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3ch3 h SER 775 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3ch3 h SER 775 CO 0.22 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 3ch3 n GLU 776 N -3.02 2.10 -1.07 4.77 1.02 -1.26 -4.93 120.64 118.24 3ch3 n GLU 776 Ca -0.02 -1.68 -0.02 0.00 -0.02 0.00 0.00 57.16 55.41 3ch3 n GLU 776 Cb 0.13 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3ch3 n GLU 776 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ch3 n GLY 777 N 1.28 0.57 3.87 0.62 0.00 -0.26 -5.03 105.19 106.24 3ch3 n GLY 777 Ca 0.17 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3ch3 n GLY 777 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ch3 s GLU 778 N -1.74 3.69 0.03 1.61 0.41 -1.26 -4.80 118.70 116.64 3ch3 s GLU 778 Ca 0.00 0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.36 3ch3 s GLU 778 Cb 0.00 -3.10 -0.05 0.00 -1.78 0.00 0.00 34.13 29.20 3ch3 s GLU 778 CO 0.00 0.65 1.21 0.15 -0.49 0.00 0.00 175.26 176.77 3ch3 s LYS 779 N -1.57 4.41 0.31 1.61 1.02 -1.26 -1.04 119.74 123.21 3ch3 s LYS 779 Ca 0.27 1.75 0.06 0.00 0.02 0.00 0.00 55.97 58.07 3ch3 s LYS 779 Cb -0.14 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3ch3 s LYS 779 CO 0.15 -0.31 0.27 0.15 -0.92 0.00 0.00 175.35 174.68 3ch3 s LYS 780 N 1.40 1.69 0.06 1.68 -0.14 0.25 -4.95 119.74 119.73 3ch3 s LYS 780 Ca 0.58 -1.95 -0.00 0.00 -1.36 0.00 0.00 55.97 53.24 3ch3 s LYS 780 Cb -0.28 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 3ch3 s LYS 780 CO 0.27 -0.62 -0.04 -1.54 -0.76 0.00 0.00 175.35 172.66 3ch3 s SER 781 N -3.33 0.64 0.06 2.83 1.04 -1.26 -0.89 113.70 112.79 3ch3 s SER 781 Ca 0.40 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.90 3ch3 s SER 781 Cb 0.03 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3ch3 s SER 781 CO 0.25 -0.53 -0.08 -0.72 0.98 0.00 0.00 173.24 173.14 3ch3 s TYR 782 N -3.60 0.75 0.09 5.02 -0.85 0.24 -0.92 117.35 118.08 3ch3 s TYR 782 Ca 0.06 -0.64 -0.08 0.00 -0.52 0.00 0.00 57.07 55.89 3ch3 s TYR 782 Cb 0.06 -0.45 -0.06 0.00 0.38 0.00 0.00 41.96 41.89 3ch3 s TYR 782 CO -0.08 -0.10 0.37 -1.58 -1.52 0.00 0.00 175.55 172.64 3ch3 s TRP 783 N -2.13 3.55 -0.22 -3.49 0.23 0.17 -1.83 118.94 115.21 3ch3 s TRP 783 Ca -0.03 0.69 -0.13 0.00 -2.03 0.00 0.00 56.10 54.60 3ch3 s TRP 783 Cb -0.05 -2.09 -0.04 0.00 0.03 0.00 0.00 33.47 31.32 3ch3 s TRP 783 CO -0.01 0.51 0.28 0.42 0.96 0.00 0.00 176.95 179.10 3ch3 s ILE 784 N -1.46 5.28 -0.07 2.03 1.01 0.19 -1.51 121.20 126.68 3ch3 s ILE 784 Ca 0.34 0.43 0.05 0.00 0.00 0.00 0.00 60.65 61.48 3ch3 s ILE 784 Cb -0.13 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3ch3 s ILE 784 CO 0.19 0.29 -0.24 -0.69 0.00 0.00 0.00 174.94 174.50 3ch3 s VAL 785 N 1.22 2.02 -0.15 2.92 1.01 0.13 -0.91 120.40 126.63 3ch3 s VAL 785 Ca 0.13 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 3ch3 s VAL 785 Cb -0.14 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3ch3 s VAL 785 CO 0.06 0.56 0.23 -0.60 0.00 0.00 0.00 175.10 175.35 3ch3 s ARG 786 N 0.00 4.08 0.45 2.72 3.52 0.47 -1.23 118.95 128.96 3ch3 s ARG 786 Ca -0.08 -0.01 0.06 0.00 -0.13 0.00 0.00 55.73 55.57 3ch3 s ARG 786 Cb -0.15 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3ch3 s ARG 786 CO 0.05 0.38 0.20 1.21 -0.81 0.00 0.00 175.30 176.34 3ch3 s ASN 787 N 0.07 4.44 -0.38 -2.12 3.84 -0.66 -1.98 114.94 118.14 3ch3 s ASN 787 Ca 0.14 -1.17 0.06 0.00 0.21 0.00 0.00 52.86 52.10 3ch3 s ASN 787 Cb -0.13 -0.21 0.44 0.00 -0.55 0.00 0.00 41.25 40.80 3ch3 s ASN 787 CO 0.03 -0.68 1.16 -1.54 -2.79 0.00 0.00 177.10 173.28 3ch3 n SER 788 N -1.34 4.85 -1.05 -4.21 3.41 -1.26 -4.59 113.62 109.44 3ch3 n SER 788 Ca -0.03 -3.73 0.02 0.00 -0.26 0.00 0.00 58.87 54.86 3ch3 n SER 788 Cb 0.65 -0.42 0.23 0.00 -0.26 0.00 0.00 64.21 64.41 3ch3 n SER 788 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3ch3 n TRP 789 N -0.58 1.07 0.00 7.33 8.01 -1.20 -0.66 117.44 131.40 3ch3 n TRP 789 Ca 0.41 -1.25 0.00 0.00 -1.31 0.00 0.00 57.50 55.36 3ch3 n TRP 789 Cb 0.79 -0.42 0.00 0.00 -2.01 0.00 0.00 31.31 29.67 3ch3 n TRP 789 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ch3 n GLY 790 N -0.84 -1.60 0.03 6.99 0.00 -0.35 -4.27 105.19 105.14 3ch3 n GLY 790 Ca 0.28 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.90 3ch3 n GLY 790 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ch3 n PRO 791 N -1.52 0.64 0.07 1.61 -0.04 -1.26 -3.13 135.00 131.36 3ch3 n PRO 791 Ca 0.00 -0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 3ch3 n PRO 791 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 3ch3 n PRO 791 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3ch3 h TYR 792 N 0.15 0.29 -3.92 0.54 3.20 -1.88 -3.20 116.97 112.16 3ch3 h TYR 792 Ca 0.00 -0.22 -0.51 0.00 3.14 0.00 0.00 58.73 61.15 3ch3 h TYR 792 Cb 0.23 -0.01 0.05 0.00 1.54 0.00 0.00 36.73 38.54 3ch3 h TYR 792 CO 0.00 1.19 0.52 -0.46 -1.64 0.00 0.00 178.16 177.77 3ch3 s TRP 793 N -2.66 3.13 0.00 -3.82 -0.00 -1.18 -4.69 118.94 109.72 3ch3 s TRP 793 Ca -0.03 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.62 3ch3 s TRP 793 Cb 0.08 -3.42 0.00 0.00 -0.00 0.00 0.00 33.47 30.13 3ch3 s TRP 793 CO 0.85 -1.29 0.00 0.41 -0.00 0.00 0.00 176.95 176.93 3ch3 n GLY 794 N 0.72 2.16 3.29 5.86 0.00 -1.26 -1.08 105.19 114.87 3ch3 n GLY 794 Ca 0.03 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 3ch3 n GLY 794 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ch3 s ASP 795 N -4.00 6.53 -1.35 1.61 2.15 0.12 -4.42 116.67 117.32 3ch3 s ASP 795 Ca 0.00 -2.82 -0.01 0.00 0.43 0.00 0.00 52.55 50.14 3ch3 s ASP 795 Cb 0.00 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 3ch3 s ASP 795 CO 0.00 -0.50 0.12 -0.62 -0.17 0.00 0.00 175.17 173.99 3ch3 n GLU 796 N 3.74 -2.48 0.00 4.34 1.02 -1.24 -1.78 120.64 124.23 3ch3 n GLU 796 Ca 0.14 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 3ch3 n GLU 796 Cb 0.45 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 3ch3 n GLU 796 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ch3 n GLY 797 N -0.98 0.24 3.73 0.62 0.00 -0.24 -4.63 105.19 103.93 3ch3 n GLY 797 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3ch3 n GLY 797 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ch3 s TYR 798 N -2.00 2.61 0.20 1.61 1.51 -0.74 -1.66 117.35 118.88 3ch3 s TYR 798 Ca 0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 55.37 3ch3 s TYR 798 Cb 0.00 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3ch3 s TYR 798 CO 0.00 0.21 0.40 -0.59 -1.11 0.00 0.00 175.55 174.46 3ch3 s PHE 799 N -2.59 0.29 -0.05 2.71 -0.12 -0.36 0.16 117.98 118.02 3ch3 s PHE 799 Ca 0.40 -0.65 0.02 0.00 -0.05 0.00 0.00 56.93 56.66 3ch3 s PHE 799 Cb 0.03 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 3ch3 s PHE 799 CO 0.22 -0.85 -0.10 0.15 -0.05 0.00 0.00 175.22 174.59 3ch3 s LYS 800 N -3.97 2.61 -0.01 1.99 1.02 -1.26 -0.70 119.74 119.43 3ch3 s LYS 800 Ca 0.18 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.53 3ch3 s LYS 800 Cb 0.01 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3ch3 s LYS 800 CO 0.03 0.64 -0.01 0.54 -0.92 0.00 0.00 175.35 175.63 3ch3 s VAL 801 N -0.81 0.13 0.26 3.17 0.11 -0.57 -0.84 120.40 121.85 3ch3 s VAL 801 Ca 0.13 -0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 3ch3 s VAL 801 Cb -0.11 -0.15 -0.12 0.00 -1.53 0.00 0.00 36.38 34.47 3ch3 s VAL 801 CO 0.02 0.06 1.54 -0.67 -3.33 0.00 0.00 175.10 172.73 3ch3 n ASP 802 N 3.37 3.46 0.24 3.54 -0.08 0.08 -0.66 116.55 126.50 3ch3 n ASP 802 Ca -0.17 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.35 3ch3 n ASP 802 Cb 0.57 -1.53 0.62 0.00 2.34 0.00 0.00 41.12 43.11 3ch3 n ASP 802 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3ch3 h MET 803 N 4.78 0.00 0.00 -0.67 2.86 -1.35 -3.31 114.93 117.24 3ch3 h MET 803 Ca -0.46 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.94 3ch3 h MET 803 Cb 1.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 3ch3 h MET 803 CO 0.80 0.18 -1.91 0.66 1.06 0.00 0.00 176.91 177.69 3ch3 n TYR 804 N -3.74 0.00 -1.61 -0.22 4.01 -1.26 -4.89 117.16 109.45 3ch3 n TYR 804 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3ch3 n TYR 804 Cb 0.29 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 3ch3 n TYR 804 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ch3 n GLY 805 N 2.68 -2.28 3.61 2.72 0.00 -1.25 -4.83 105.19 105.85 3ch3 n GLY 805 Ca -0.29 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3ch3 n GLY 805 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ch3 n PRO 806 N -0.52 1.31 -0.29 1.61 -0.02 -1.26 -4.88 135.00 130.94 3ch3 n PRO 806 Ca 0.00 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3ch3 n PRO 806 Cb 0.00 -2.08 0.31 0.00 -0.02 0.00 0.00 33.50 31.71 3ch3 n PRO 806 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ch3 h THR 807 N 1.40 0.94 0.00 3.45 2.02 -2.00 -2.61 112.91 116.10 3ch3 h THR 807 Ca -0.45 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3ch3 h THR 807 Cb 1.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3ch3 h THR 807 CO 0.56 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.61 3ch3 n HIS 808 N -4.55 0.78 -1.72 3.16 1.44 -1.26 -4.84 115.22 108.22 3ch3 n HIS 808 Ca 0.16 0.28 -0.42 0.00 -2.01 0.00 0.00 57.72 55.73 3ch3 n HIS 808 Cb 0.35 -0.96 -0.03 0.00 0.12 0.00 0.00 29.99 29.47 3ch3 n HIS 808 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ch3 h HIS 810 N 7.15 0.04 -4.17 0.00 3.86 -1.90 -3.46 115.15 116.68 3ch3 h HIS 810 Ca -0.44 -0.02 -0.54 0.00 -1.16 0.00 0.00 60.37 58.21 3ch3 h HIS 810 Cb 1.20 -0.01 -0.30 0.00 1.06 0.00 0.00 27.41 29.37 3ch3 h HIS 810 CO 0.67 0.81 -0.83 -0.06 0.86 0.00 0.00 177.93 179.38 3ch3 s PHE 811 N -3.21 1.53 0.49 2.45 0.40 -1.26 -5.06 117.98 113.31 3ch3 s PHE 811 Ca -0.01 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 55.78 3ch3 s PHE 811 Cb 0.11 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.57 3ch3 s PHE 811 CO 0.79 -0.07 1.11 1.21 0.70 0.00 0.00 175.22 178.96 3ch3 s ASN 812 N -0.25 6.11 0.30 1.36 3.84 -1.26 -0.84 114.94 124.20 3ch3 s ASN 812 Ca 0.03 2.13 0.02 0.00 0.21 0.00 0.00 52.86 55.25 3ch3 s ASN 812 Cb -0.08 -2.58 0.56 0.00 -0.55 0.00 0.00 41.25 38.60 3ch3 s ASN 812 CO 0.00 -0.95 1.89 0.15 -2.79 0.00 0.00 177.10 175.40 3ch3 h PHE 813 N 1.66 1.06 -3.47 0.43 3.57 -1.79 -3.30 116.94 115.09 3ch3 h PHE 813 Ca -0.50 0.03 -0.59 0.00 3.53 0.00 0.00 57.97 60.44 3ch3 h PHE 813 Cb 1.24 -0.34 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 3ch3 h PHE 813 CO 0.54 0.50 0.70 0.42 -2.23 0.00 0.00 178.31 178.24 3ch3 s ILE 814 N -5.90 4.33 -0.06 1.41 -1.09 -1.26 -4.62 121.20 114.00 3ch3 s ILE 814 Ca -0.11 0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 58.78 3ch3 s ILE 814 Cb 0.21 -4.54 -0.24 0.00 -1.58 0.00 0.00 42.46 36.30 3ch3 s ILE 814 CO 0.80 -1.03 1.00 -0.74 -1.23 0.00 0.00 174.94 173.74 3ch3 h HIS 815 N 9.25 0.26 -3.52 3.97 -0.00 -1.30 -3.39 115.15 120.42 3ch3 h HIS 815 Ca -0.25 -0.15 -0.09 0.00 -0.00 0.00 0.00 60.37 59.88 3ch3 h HIS 815 Cb 1.07 -0.03 -0.16 0.00 -0.00 0.00 0.00 27.41 28.29 3ch3 h HIS 815 CO 0.93 0.98 -0.31 -1.12 -0.00 0.00 0.00 177.93 178.40 3ch3 s SER 816 N -6.36 -0.02 0.02 3.26 0.01 -1.20 -1.91 113.70 107.49 3ch3 s SER 816 Ca -0.16 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.78 3ch3 s SER 816 Cb 0.01 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 3ch3 s SER 816 CO 0.75 -0.64 -0.16 -0.69 0.41 0.00 0.00 173.24 172.91 3ch3 s VAL 817 N -2.97 1.23 -0.03 3.43 1.01 -0.16 -0.84 120.40 122.07 3ch3 s VAL 817 Ca -0.02 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ch3 s VAL 817 Cb 0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 3ch3 s VAL 817 CO -0.06 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.38 3ch3 s VAL 818 N -0.66 1.03 -0.06 2.92 1.01 0.37 -1.06 120.40 123.95 3ch3 s VAL 818 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3ch3 s VAL 818 Cb -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3ch3 s VAL 818 CO 0.01 0.31 -0.17 -0.63 0.00 0.00 0.00 175.10 174.61 3ch3 s ILE 819 N 0.02 1.47 0.11 2.22 1.01 0.41 -1.34 121.20 125.11 3ch3 s ILE 819 Ca -0.01 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 3ch3 s ILE 819 Cb -0.09 -1.28 -0.07 0.00 0.01 0.00 0.00 42.46 41.03 3ch3 s ILE 819 CO 0.01 0.43 0.73 -0.36 0.00 0.00 0.00 174.94 175.74 3ch3 s PHE 820 N 0.23 3.84 -0.70 3.97 2.99 -1.26 -0.43 117.98 126.61 3ch3 s PHE 820 Ca -0.09 1.51 -0.11 0.00 0.00 0.00 0.00 56.93 58.25 3ch3 s PHE 820 Cb -0.14 -2.72 0.18 0.00 0.00 0.00 0.00 43.02 40.34 3ch3 s PHE 820 CO 0.04 0.46 0.61 -0.80 -0.00 0.00 0.00 175.22 175.53 3ch3 s ASN 821 N -0.83 6.19 -0.03 1.36 0.01 -0.03 -4.93 114.94 116.68 3ch3 s ASN 821 Ca 0.35 -2.55 0.07 0.00 -0.71 0.00 0.00 52.86 50.02 3ch3 s ASN 821 Cb -0.22 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 3ch3 s ASN 821 CO 0.24 -0.56 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.34 3ch3 s VAL 822 N 0.39 1.86 -0.43 1.60 1.01 -1.26 -0.65 120.40 122.92 3ch3 s VAL 822 Ca 0.15 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3ch3 s VAL 822 Cb -0.17 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.72 3ch3 s VAL 822 CO -0.05 0.52 0.30 -1.81 0.00 0.00 0.00 175.10 174.06 3ch3 s ASP 823 N -0.43 5.87 -0.14 3.32 -0.00 0.31 -4.89 116.67 120.71 3ch3 s ASP 823 Ca 0.05 -1.27 0.01 0.00 -0.00 0.00 0.00 52.55 51.34 3ch3 s ASP 823 Cb -0.10 -2.08 -0.01 0.00 -0.00 0.00 0.00 42.92 40.74 3ch3 s ASP 823 CO 0.00 -0.53 -0.16 -0.22 -0.00 0.00 0.00 175.17 174.26 3ch3 s LEU 824 N 1.55 2.47 0.42 1.23 2.96 -1.26 -1.08 118.68 124.96 3ch3 s LEU 824 Ca 0.03 -0.44 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 3ch3 s LEU 824 Cb -0.22 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 3ch3 s LEU 824 CO 0.05 0.12 1.23 -2.16 -1.32 0.00 0.00 176.35 174.27 3ch3 s PRO 825 N 0.58 3.94 -0.24 0.98 0.04 -1.26 -4.95 135.00 134.09 3ch3 s PRO 825 Ca -0.10 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 3ch3 s PRO 825 Cb -0.16 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3ch3 s PRO 825 CO 0.03 -0.45 1.74 1.41 0.04 0.00 0.00 177.00 179.77 3ch3 s MET 826 N -2.35 3.61 0.13 4.56 1.75 -1.26 -4.91 119.30 120.82 3ch3 s MET 826 Ca 0.58 1.67 -0.06 0.00 -1.25 0.00 0.00 55.69 56.63 3ch3 s MET 826 Cb -0.34 -4.12 0.02 0.00 2.84 0.00 0.00 34.83 33.23 3ch3 s MET 826 CO 0.42 -1.52 0.30 0.09 -0.65 0.00 0.00 175.02 173.66 3ch3 n ASN 827 N 9.25 -0.80 0.00 1.11 4.13 -1.02 -5.06 115.26 122.87 3ch3 n ASN 827 Ca 0.21 -1.53 0.00 0.00 1.68 0.00 0.00 54.58 54.94 3ch3 n ASN 827 Cb 0.45 1.33 0.00 0.00 -1.54 0.00 0.00 39.78 40.02 3ch3 n ASN 827 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34