#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxv n HIS 2 N 0.00 0.00 -3.30 0.00 1.44 -1.26 -4.96 115.22 107.14 1dxv n HIS 2 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1dxv n HIS 2 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 1dxv n HIS 2 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1dxv s LEU 3 N 0.00 4.09 0.94 2.39 1.02 -1.26 -5.07 118.68 120.80 1dxv s LEU 3 Ca 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 54.13 54.55 1dxv s LEU 3 Cb 0.00 -2.60 0.16 0.00 0.02 0.00 0.00 46.19 43.77 1dxv s LEU 3 CO 0.00 -0.20 1.10 0.42 0.02 0.00 0.00 176.35 177.69 1dxv s THR 4 N 1.89 2.28 0.37 5.49 -4.23 -1.26 -4.76 115.64 115.41 1dxv s THR 4 Ca 0.20 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1dxv s THR 4 Cb -0.15 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.31 1dxv s THR 4 CO 0.09 -0.12 2.01 -0.65 -0.54 0.00 0.00 174.62 175.41 1dxv h PRO 5 N -1.68 0.75 -0.79 3.99 0.11 -2.00 -1.60 132.00 130.79 1dxv h PRO 5 Ca -0.52 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.64 1dxv h PRO 5 Cb 1.31 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1dxv h PRO 5 CO 0.58 0.50 0.44 0.93 -0.21 0.00 0.00 178.00 180.24 1dxv h GLU 6 N 0.78 0.71 -0.14 1.05 3.07 -2.00 -1.77 114.58 116.27 1dxv h GLU 6 Ca 0.23 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1dxv h GLU 6 Cb -0.02 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1dxv h GLU 6 CO -0.06 0.47 -0.23 0.93 -1.40 0.00 0.00 179.01 178.72 1dxv h GLU 7 N 0.74 0.41 -0.90 2.33 5.08 -1.72 -1.95 114.58 118.56 1dxv h GLU 7 Ca 0.39 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1dxv h GLU 7 Cb 0.37 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1dxv h GLU 7 CO -0.25 0.84 0.58 0.87 -1.00 0.00 0.00 179.01 180.05 1dxv h LYS 8 N 0.02 1.09 -0.47 2.33 1.57 -0.80 -1.31 116.57 119.00 1dxv h LYS 8 Ca 0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1dxv h LYS 8 Cb 0.81 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1dxv h LYS 8 CO 0.05 0.72 -0.20 0.66 -0.57 0.00 0.00 179.45 180.12 1dxv h SER 9 N 1.12 0.99 0.19 0.86 4.64 -1.33 -0.75 113.55 119.27 1dxv h SER 9 Ca 0.36 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1dxv h SER 9 Cb 0.03 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1dxv h SER 9 CO -0.13 1.16 -0.12 0.00 -0.87 0.00 0.00 176.83 176.87 1dxv h ALA 10 N 0.86 1.58 0.06 5.18 0.00 -0.71 -0.32 119.26 125.91 1dxv h ALA 10 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dxv h ALA 10 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1dxv h ALA 10 CO 0.06 0.15 -0.03 0.28 0.00 0.00 0.00 179.25 179.72 1dxv h VAL 11 N 0.00 1.06 -0.51 0.00 2.07 -0.90 -3.20 116.25 114.77 1dxv h VAL 11 Ca -0.00 -1.55 0.05 0.00 0.82 0.00 0.00 66.70 66.02 1dxv h VAL 11 Cb 0.25 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1dxv h VAL 11 CO 0.02 0.32 0.23 0.74 0.02 0.00 0.00 177.57 178.90 1dxv h THR 12 N -0.92 0.91 0.37 2.57 2.02 -0.91 -1.52 112.91 115.43 1dxv h THR 12 Ca -0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1dxv h THR 12 Cb 0.59 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1dxv h THR 12 CO 0.01 0.08 -0.40 0.00 0.37 0.00 0.00 175.52 175.58 1dxv h ALA 13 N 1.30 -0.86 -0.73 6.16 0.00 -1.20 -2.03 119.26 121.91 1dxv h ALA 13 Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1dxv h ALA 13 Cb 0.18 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1dxv h ALA 13 CO -0.19 -1.02 0.33 1.25 0.00 0.00 0.00 179.25 179.62 1dxv h LEU 14 N -0.80 0.95 -1.54 0.00 6.46 -1.53 -2.86 115.31 116.00 1dxv h LEU 14 Ca -0.03 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1dxv h LEU 14 Cb 0.72 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1dxv h LEU 14 CO -0.08 0.81 0.07 -0.25 -0.62 0.00 0.00 178.44 178.37 1dxv h TRP 15 N 1.03 0.37 0.00 1.25 2.91 -0.94 -1.23 115.95 119.35 1dxv h TRP 15 Ca 0.25 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1dxv h TRP 15 Cb 0.13 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1dxv h TRP 15 CO 0.01 0.33 0.00 0.78 -1.03 0.00 0.00 178.44 178.53 1dxv h GLY 16 N 0.57 0.00 -0.74 2.65 0.00 -1.13 -1.12 103.07 103.31 1dxv h GLY 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dxv h GLY 16 CO -0.01 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 176.54 1dxv n LYS 17 N -2.71 1.36 -2.91 4.80 5.02 -0.46 -4.97 118.16 118.30 1dxv n LYS 17 Ca -0.02 -1.01 -0.40 0.00 -2.02 0.00 0.00 58.31 54.86 1dxv n LYS 17 Cb 0.08 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1dxv n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dxv s VAL 18 N -2.34 4.48 -0.57 -0.18 1.01 -0.42 -5.01 120.40 117.36 1dxv s VAL 18 Ca 0.24 1.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 1dxv s VAL 18 Cb 0.19 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1dxv s VAL 18 CO 0.48 0.43 0.78 0.21 0.00 0.00 0.00 175.10 177.00 1dxv s ASN 19 N -0.57 6.22 0.21 3.32 3.84 -1.26 -4.93 114.94 121.77 1dxv s ASN 19 Ca 0.39 -0.99 -0.09 0.00 0.21 0.00 0.00 52.86 52.39 1dxv s ASN 19 Cb -0.23 -2.35 0.24 0.00 -0.55 0.00 0.00 41.25 38.36 1dxv s ASN 19 CO 0.27 -1.14 1.83 0.58 -2.79 0.00 0.00 177.10 175.84 1dxv h VAL 20 N 5.93 1.02 -0.15 -5.21 2.07 -1.94 0.15 116.25 118.11 1dxv h VAL 20 Ca -0.28 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1dxv h VAL 20 Cb 1.08 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1dxv h VAL 20 CO 1.07 0.14 0.06 0.44 0.02 0.00 0.00 177.57 179.31 1dxv h ASP 21 N 0.77 0.21 0.33 0.57 5.19 -1.91 0.10 116.42 121.69 1dxv h ASP 21 Ca 0.30 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1dxv h ASP 21 Cb 0.13 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1dxv h ASP 21 CO -0.16 0.32 -0.16 -0.08 -3.12 0.00 0.00 179.24 176.04 1dxv h GLU 22 N 0.09 -0.43 -0.54 3.56 4.81 -1.89 -1.88 114.58 118.30 1dxv h GLU 22 Ca 0.05 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1dxv h GLU 22 Cb 0.17 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1dxv h GLU 22 CO -0.00 -0.21 0.28 0.28 -0.73 0.00 0.00 179.01 178.62 1dxv h VAL 23 N -0.56 1.17 0.12 0.32 2.07 -0.97 -1.83 116.25 116.58 1dxv h VAL 23 Ca -0.05 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1dxv h VAL 23 Cb 0.41 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1dxv h VAL 23 CO 0.07 0.20 -0.06 1.23 0.02 0.00 0.00 177.57 179.03 1dxv h GLY 24 N 0.84 -0.17 1.00 2.17 0.00 -0.59 -0.59 103.07 105.74 1dxv h GLY 24 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1dxv h GLY 24 CO -0.03 -0.06 0.43 -1.33 0.00 0.00 0.00 176.54 175.55 1dxv h GLY 25 N -0.21 0.97 0.93 4.60 0.00 -1.09 -2.07 103.07 106.19 1dxv h GLY 25 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1dxv h GLY 25 CO 0.03 0.37 0.12 0.83 0.00 0.00 0.00 176.54 177.89 1dxv h GLU 26 N 0.92 0.35 -0.30 4.80 4.39 -1.15 -0.87 114.58 122.72 1dxv h GLU 26 Ca 0.25 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1dxv h GLU 26 Cb -0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1dxv h GLU 26 CO -0.05 0.36 0.02 0.00 -1.16 0.00 0.00 179.01 178.18 1dxv h ALA 27 N 0.98 0.40 -0.36 3.43 0.00 -1.02 -0.57 119.26 122.13 1dxv h ALA 27 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1dxv h ALA 27 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dxv h ALA 27 CO -0.01 0.12 -0.04 1.25 0.00 0.00 0.00 179.25 180.57 1dxv h LEU 28 N 0.32 0.65 -0.50 0.00 5.85 -1.37 -0.76 115.31 119.50 1dxv h LEU 28 Ca 0.09 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1dxv h LEU 28 Cb 0.39 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1dxv h LEU 28 CO 0.01 0.83 0.32 1.23 -0.34 0.00 0.00 178.44 180.50 1dxv h GLY 29 N 0.46 0.71 1.39 3.75 0.00 -1.11 -2.14 103.07 106.13 1dxv h GLY 29 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1dxv h GLY 29 CO 0.03 0.27 -0.05 3.21 0.00 0.00 0.00 176.54 179.99 1dxv h ARG 30 N 0.67 0.73 -0.51 4.80 3.08 -0.97 -1.25 114.38 120.94 1dxv h ARG 30 Ca 0.18 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1dxv h ARG 30 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1dxv h ARG 30 CO -0.04 0.78 0.31 1.25 -1.07 0.00 0.00 179.97 181.20 1dxv h LEU 31 N 0.68 0.51 -1.29 3.04 5.85 -0.87 0.30 115.31 123.53 1dxv h LEU 31 Ca 0.13 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1dxv h LEU 31 Cb 0.49 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1dxv h LEU 31 CO 0.03 0.36 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.09 1dxv h LEU 32 N 0.62 0.00 0.02 2.25 4.07 -0.88 -1.11 115.31 120.29 1dxv h LEU 32 Ca 0.20 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.05 1dxv h LEU 32 Cb -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1dxv h LEU 32 CO -0.08 0.33 -0.59 0.58 -1.08 0.00 0.00 178.44 177.61 1dxv h VAL 33 N 0.00 1.43 -0.18 1.22 2.07 -0.84 -3.30 116.25 116.64 1dxv h VAL 33 Ca -0.00 -2.31 -0.19 0.00 0.82 0.00 0.00 66.70 65.02 1dxv h VAL 33 Cb 0.66 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1dxv h VAL 33 CO 0.04 0.53 -0.65 0.58 0.02 0.00 0.00 177.57 178.10 1dxv h VAL 34 N -0.89 1.31 -2.74 2.57 2.07 -0.43 -3.37 116.25 114.77 1dxv h VAL 34 Ca -0.15 -1.90 -0.61 0.00 0.82 0.00 0.00 66.70 64.86 1dxv h VAL 34 Cb 1.21 1.86 -0.41 0.00 -1.52 0.00 0.00 31.29 32.43 1dxv h VAL 34 CO -0.05 0.60 -0.68 -1.22 0.02 0.00 0.00 177.57 176.24 1dxv n TYR 35 N -3.94 2.38 0.32 1.57 4.01 -0.42 -4.98 117.16 116.10 1dxv n TYR 35 Ca -0.05 -4.07 0.20 0.00 -0.16 0.00 0.00 57.90 53.83 1dxv n TYR 35 Cb 0.67 -0.44 1.06 0.00 -0.31 0.00 0.00 39.34 40.32 1dxv n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dxv h PRO 36 N 5.14 0.00 0.00 -0.72 0.13 -1.73 -1.53 132.00 133.29 1dxv h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1dxv h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dxv h PRO 36 CO 0.66 0.00 -0.07 0.11 -0.23 0.00 0.00 178.00 178.48 1dxv h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.32 115.95 114.37 1dxv h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1dxv h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1dxv h TRP 37 CO 0.00 0.07 0.00 0.25 0.09 0.00 0.00 178.44 178.85 1dxv n THR 38 N -3.41 0.97 0.31 0.12 -2.24 -0.58 -2.17 114.28 107.28 1dxv n THR 38 Ca -0.02 0.27 0.16 0.00 -2.27 0.00 0.00 64.05 62.20 1dxv n THR 38 Cb 0.21 -1.13 0.72 0.00 -2.10 0.00 0.00 70.33 68.03 1dxv n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1dxv h GLN 39 N 0.00 0.00 -0.80 -0.78 4.20 -1.44 -3.22 115.11 113.07 1dxv h GLN 39 Ca 0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 1dxv h GLN 39 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1dxv h GLN 39 CO 0.00 0.00 0.67 0.07 -0.67 0.00 0.00 178.83 178.90 1dxv h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.64 -0.72 114.38 113.59 1dxv h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dxv h ARG 40 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1dxv h ARG 40 CO 0.00 0.00 -0.63 1.19 0.10 0.00 0.00 179.97 180.63 1dxv n PHE 41 N -3.97 0.31 -1.34 4.08 3.72 -1.22 -4.40 117.46 114.65 1dxv n PHE 41 Ca 0.17 0.09 -0.03 0.00 -0.05 0.00 0.00 57.45 57.63 1dxv n PHE 41 Cb 0.95 -0.48 0.21 0.00 -0.94 0.00 0.00 39.48 39.22 1dxv n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dxv n PHE 42 N -1.87 1.22 0.30 1.38 3.72 -0.28 -4.73 117.46 117.20 1dxv n PHE 42 Ca 0.04 -1.47 0.18 0.00 -0.05 0.00 0.00 57.45 56.16 1dxv n PHE 42 Cb 0.40 -0.49 0.85 0.00 -0.94 0.00 0.00 39.48 39.30 1dxv n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1dxv h GLU 43 N 1.17 0.00 0.00 -1.08 4.11 -1.77 -1.29 114.58 115.73 1dxv h GLU 43 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1dxv h GLU 43 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1dxv h GLU 43 CO 0.41 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.36 1dxv n SER 44 N -2.93 0.00 -0.06 3.06 3.41 -1.26 -3.47 113.62 112.37 1dxv n SER 44 Ca -0.01 -0.61 0.14 0.00 -0.26 0.00 0.00 58.87 58.13 1dxv n SER 44 Cb 0.19 -0.13 0.58 0.00 -0.26 0.00 0.00 64.21 64.59 1dxv n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dxv n PHE 45 N -1.13 0.00 -1.00 7.33 3.01 -0.49 -5.03 117.46 120.15 1dxv n PHE 45 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1dxv n PHE 45 Cb 0.17 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1dxv n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxv n GLY 46 N 1.36 0.89 3.63 1.37 0.00 -1.23 -4.76 105.19 106.46 1dxv n GLY 46 Ca 0.11 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1dxv n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxv s ASP 47 N -4.00 6.31 -0.07 1.61 2.15 -1.26 -4.84 116.67 116.57 1dxv s ASP 47 Ca 0.00 1.65 0.11 0.00 0.43 0.00 0.00 52.55 54.74 1dxv s ASP 47 Cb 0.00 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.27 1dxv s ASP 47 CO 0.00 -1.31 1.09 0.18 -0.17 0.00 0.00 175.17 174.96 1dxv n LEU 48 N 8.67 1.28 0.14 -1.34 4.77 -1.26 -4.27 117.00 124.99 1dxv n LEU 48 Ca 0.20 -2.17 0.06 0.00 -0.03 0.00 0.00 56.01 54.07 1dxv n LEU 48 Cb 0.45 -0.23 0.53 0.00 -2.33 0.00 0.00 43.42 41.84 1dxv n LEU 48 CO 0.65 0.53 1.09 0.77 -1.33 0.00 0.00 177.39 179.11 1dxv h SER 49 N 0.09 0.21 -5.48 -1.43 4.64 -1.92 -3.44 113.55 106.23 1dxv h SER 49 Ca -0.01 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 1dxv h SER 49 Cb 1.22 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1dxv h SER 49 CO 0.00 0.17 -0.59 0.42 -0.87 0.00 0.00 176.83 175.97 1dxv s THR 50 N -5.21 0.05 0.21 2.95 -4.23 -1.26 -5.02 115.64 103.14 1dxv s THR 50 Ca -0.06 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1dxv s THR 50 Cb 0.17 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.93 1dxv s THR 50 CO 0.70 -0.23 1.80 -0.65 -0.54 0.00 0.00 174.62 175.71 1dxv h PRO 51 N 2.71 0.66 -0.47 3.99 0.11 -1.99 0.96 132.00 137.97 1dxv h PRO 51 Ca -0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1dxv h PRO 51 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1dxv h PRO 51 CO 0.54 0.44 0.28 -0.44 -0.21 0.00 0.00 178.00 178.61 1dxv h ASP 52 N 0.68 0.56 -0.69 -2.05 3.32 -1.97 0.54 116.42 116.81 1dxv h ASP 52 Ca 0.31 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1dxv h ASP 52 Cb 0.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1dxv h ASP 52 CO -0.19 0.46 0.17 0.00 -1.72 0.00 0.00 179.24 177.96 1dxv h ALA 53 N 1.13 0.91 0.41 3.45 0.00 -1.67 -1.76 119.26 121.73 1dxv h ALA 53 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dxv h ALA 53 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1dxv h ALA 53 CO -0.03 0.64 -0.20 0.28 0.00 0.00 0.00 179.25 179.94 1dxv h VAL 54 N 1.04 0.58 -0.41 0.00 2.07 -0.46 -1.69 116.25 117.38 1dxv h VAL 54 Ca 0.22 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1dxv h VAL 54 Cb 0.37 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1dxv h VAL 54 CO 0.00 0.06 0.28 0.24 0.02 0.00 0.00 177.57 178.18 1dxv h MET 55 N -0.76 0.15 -0.01 1.57 2.07 -0.84 -2.28 114.93 114.84 1dxv h MET 55 Ca -0.06 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1dxv h MET 55 Cb 0.52 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1dxv h MET 55 CO 0.09 0.10 -0.36 0.41 1.07 0.00 0.00 176.91 178.22 1dxv n GLY 56 N -1.57 -0.26 3.67 8.32 0.00 -0.67 -4.89 105.19 109.79 1dxv n GLY 56 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1dxv n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxv s ASN 57 N -2.48 6.76 0.48 1.61 3.84 -0.64 -4.89 114.94 119.62 1dxv s ASN 57 Ca 0.22 2.12 0.15 0.00 0.21 0.00 0.00 52.86 55.55 1dxv s ASN 57 Cb 0.19 -2.54 1.11 0.00 -0.55 0.00 0.00 41.25 39.45 1dxv s ASN 57 CO 0.54 -0.85 2.07 1.55 -2.79 0.00 0.00 177.10 177.62 1dxv h PRO 58 N 8.82 0.04 -0.14 0.43 0.13 -1.90 -2.03 132.00 137.34 1dxv h PRO 58 Ca -0.37 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 1dxv h PRO 58 Cb 1.16 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dxv h PRO 58 CO 0.94 0.11 -0.72 0.87 -0.23 0.00 0.00 178.00 178.98 1dxv h LYS 59 N 0.04 0.65 -0.15 0.86 6.56 -1.90 -1.06 116.57 121.57 1dxv h LYS 59 Ca 0.01 -0.50 -0.01 0.00 -1.06 0.00 0.00 60.65 59.09 1dxv h LYS 59 Cb 0.16 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1dxv h LYS 59 CO 0.01 1.12 0.07 0.28 -2.06 0.00 0.00 179.45 178.87 1dxv h VAL 60 N 0.45 1.13 -0.54 0.50 2.07 -1.78 0.71 116.25 118.79 1dxv h VAL 60 Ca -0.03 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1dxv h VAL 60 Cb 1.32 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1dxv h VAL 60 CO 0.14 0.12 0.31 0.11 0.02 0.00 0.00 177.57 178.27 1dxv h LYS 61 N 0.11 0.59 -0.61 1.57 1.57 -1.33 0.10 116.57 118.57 1dxv h LYS 61 Ca 0.05 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1dxv h LYS 61 Cb 0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1dxv h LYS 61 CO -0.01 0.39 0.17 0.00 -0.57 0.00 0.00 179.45 179.44 1dxv h ALA 62 N 1.26 0.81 -0.42 3.86 0.00 -0.94 -1.26 119.26 122.57 1dxv h ALA 62 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1dxv h ALA 62 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1dxv h ALA 62 CO -0.12 0.50 0.02 1.25 0.00 0.00 0.00 179.25 180.90 1dxv h HIS 63 N 0.89 0.78 -0.85 0.00 -0.00 -0.56 -2.66 115.15 112.74 1dxv h HIS 63 Ca 0.20 -0.13 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1dxv h HIS 63 Cb 0.32 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 1dxv h HIS 63 CO 0.02 0.78 0.56 0.78 -0.00 0.00 0.00 177.93 180.07 1dxv h GLY 64 N 0.56 1.21 0.85 5.26 0.00 -0.50 -0.83 103.07 109.62 1dxv h GLY 64 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1dxv h GLY 64 CO 0.02 0.34 0.03 0.50 0.00 0.00 0.00 176.54 177.43 1dxv h LYS 65 N 1.03 0.09 -0.25 4.80 1.57 -1.02 -0.30 116.57 122.49 1dxv h LYS 65 Ca 0.35 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1dxv h LYS 65 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1dxv h LYS 65 CO -0.11 0.06 0.10 -0.22 -0.57 0.00 0.00 179.45 178.70 1dxv h LYS 66 N 0.09 0.38 0.12 3.15 3.64 -1.07 -0.36 116.57 122.52 1dxv h LYS 66 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1dxv h LYS 66 Cb 0.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1dxv h LYS 66 CO -0.08 0.43 -0.06 0.28 -2.27 0.00 0.00 179.45 177.75 1dxv h VAL 67 N 0.25 1.00 0.00 2.00 2.07 -1.10 -2.45 116.25 118.02 1dxv h VAL 67 Ca 0.08 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1dxv h VAL 67 Cb 0.19 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1dxv h VAL 67 CO -0.01 0.12 -0.14 0.25 0.02 0.00 0.00 177.57 177.81 1dxv h LEU 68 N -0.39 0.00 -0.31 2.57 7.12 -1.05 -1.56 115.31 121.70 1dxv h LEU 68 Ca -0.02 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.88 1dxv h LEU 68 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1dxv h LEU 68 CO 0.03 0.14 -0.24 1.23 -0.13 0.00 0.00 178.44 179.47 1dxv h GLY 69 N 1.83 0.77 1.01 3.75 0.00 -0.93 -1.14 103.07 108.36 1dxv h GLY 69 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1dxv h GLY 69 CO 0.02 0.68 0.06 0.00 0.00 0.00 0.00 176.54 177.29 1dxv h ALA 70 N 0.73 0.71 -0.24 3.60 0.00 -1.09 -1.35 119.26 121.62 1dxv h ALA 70 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1dxv h ALA 70 Cb 0.79 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1dxv h ALA 70 CO 0.06 0.48 -0.05 0.35 0.00 0.00 0.00 179.25 180.09 1dxv h PHE 71 N 0.78 -0.10 -0.39 0.00 3.04 -1.18 -1.84 116.94 117.25 1dxv h PHE 71 Ca 0.16 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.20 1dxv h PHE 71 Cb 0.45 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.98 1dxv h PHE 71 CO 0.03 -0.09 0.00 1.03 -2.02 0.00 0.00 178.31 177.26 1dxv h SER 72 N 0.02 -0.15 -0.10 0.41 0.87 -1.00 -0.83 113.55 112.76 1dxv h SER 72 Ca 0.12 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1dxv h SER 72 Cb 0.17 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1dxv h SER 72 CO -0.24 -0.04 -0.04 0.44 -0.53 0.00 0.00 176.83 176.42 1dxv h ASP 73 N 0.11 0.31 0.47 6.23 3.32 -0.87 -2.41 116.42 123.58 1dxv h ASP 73 Ca 0.19 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1dxv h ASP 73 Cb 0.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1dxv h ASP 73 CO -0.32 0.40 -0.18 1.23 -1.72 0.00 0.00 179.24 178.66 1dxv h GLY 74 N 0.70 0.00 2.00 2.75 0.00 -0.32 -2.44 103.07 105.76 1dxv h GLY 74 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1dxv h GLY 74 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1dxv h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -1.12 -0.83 115.31 120.55 1dxv h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dxv h LEU 75 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1dxv h LEU 75 CO 0.02 0.00 -0.16 0.00 -1.08 0.00 0.00 178.44 177.22 1dxv n ALA 76 N -2.06 2.59 -2.46 1.53 0.00 -0.92 -3.99 120.51 115.20 1dxv n ALA 76 Ca -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1dxv n ALA 76 Cb 0.22 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.33 1dxv n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxv n HIS 77 N -1.78 1.99 -0.16 0.00 8.25 -0.33 -4.89 115.22 118.30 1dxv n HIS 77 Ca 0.06 -2.24 0.28 0.00 -0.26 0.00 0.00 57.72 55.56 1dxv n HIS 77 Cb 0.38 -0.28 0.72 0.00 1.12 0.00 0.00 29.99 31.93 1dxv n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dxv h LEU 78 N 2.44 0.00 0.00 2.41 4.07 -1.66 0.13 115.31 122.69 1dxv h LEU 78 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1dxv h LEU 78 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1dxv h LEU 78 CO 0.47 0.00 -0.04 0.44 -1.08 0.00 0.00 178.44 178.23 1dxv h ASP 79 N 0.00 0.00 -1.84 -0.43 3.32 -1.90 -3.37 116.42 112.20 1dxv h ASP 79 Ca 0.41 -0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.98 1dxv h ASP 79 Cb 1.64 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.79 1dxv h ASP 79 CO -0.00 0.00 -1.10 -3.20 -1.72 0.00 0.00 179.24 173.21 1dxv n ASN 80 N -2.94 1.61 -0.16 6.45 5.15 0.43 -4.91 115.26 120.89 1dxv n ASN 80 Ca 0.04 -3.08 -0.09 0.00 -0.60 0.00 0.00 54.58 50.85 1dxv n ASN 80 Cb 0.51 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1dxv n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dxv h LEU 81 N 2.98 0.70 -0.23 1.20 3.38 -1.66 -1.75 115.31 119.93 1dxv h LEU 81 Ca 0.08 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1dxv h LEU 81 Cb 0.94 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1dxv h LEU 81 CO 0.56 0.75 0.09 0.11 0.09 0.00 0.00 178.44 180.04 1dxv h LYS 82 N 0.63 0.20 -0.59 1.13 1.57 -1.90 -0.09 116.57 117.51 1dxv h LYS 82 Ca 0.15 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1dxv h LYS 82 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1dxv h LYS 82 CO 0.00 0.13 0.16 0.78 -0.57 0.00 0.00 179.45 179.95 1dxv h GLY 83 N 0.20 1.00 1.36 3.86 0.00 -1.94 -2.23 103.07 105.32 1dxv h GLY 83 Ca 0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1dxv h GLY 83 CO -0.09 0.58 0.24 -0.84 0.00 0.00 0.00 176.54 176.42 1dxv h THR 84 N 0.85 1.20 -0.61 4.70 2.02 -0.93 -3.17 112.91 116.97 1dxv h THR 84 Ca 0.19 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1dxv h THR 84 Cb 0.32 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1dxv h THR 84 CO -0.00 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1dxv n PHE 85 N -4.33 0.81 -0.01 3.16 3.72 -0.08 -4.71 117.46 116.01 1dxv n PHE 85 Ca 0.05 -0.48 -0.10 0.00 -0.05 0.00 0.00 57.45 56.87 1dxv n PHE 85 Cb 0.16 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1dxv n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxv h ALA 86 N 3.71 0.10 -0.42 4.37 0.00 -1.37 0.34 119.26 125.99 1dxv h ALA 86 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1dxv h ALA 86 Cb 0.92 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1dxv h ALA 86 CO 0.00 -0.46 -0.20 1.15 0.00 0.00 0.00 179.25 179.74 1dxv h THR 87 N 0.03 1.27 -0.35 0.00 2.02 -1.84 -1.46 112.91 112.57 1dxv h THR 87 Ca 0.06 -1.31 -0.12 0.00 0.77 0.00 0.00 66.41 65.81 1dxv h THR 87 Cb 0.08 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1dxv h THR 87 CO -0.12 0.44 -0.26 -0.07 0.37 0.00 0.00 175.52 175.89 1dxv h LEU 88 N 0.72 0.73 -0.09 2.58 3.38 -1.79 -0.63 115.31 120.21 1dxv h LEU 88 Ca 0.10 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1dxv h LEU 88 Cb 0.72 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1dxv h LEU 88 CO 0.06 0.96 -0.04 -1.28 0.09 0.00 0.00 178.44 178.23 1dxv h SER 89 N 0.62 -0.12 -0.68 -0.43 0.87 0.05 -0.58 113.55 113.28 1dxv h SER 89 Ca 0.08 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1dxv h SER 89 Cb 0.76 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1dxv h SER 89 CO 0.06 -0.05 0.44 -0.33 -0.53 0.00 0.00 176.83 176.42 1dxv h GLU 90 N -0.02 0.85 -0.60 2.24 5.08 -1.02 -2.22 114.58 118.88 1dxv h GLU 90 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1dxv h GLU 90 Cb 0.10 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1dxv h GLU 90 CO -0.11 0.56 0.34 1.25 -1.00 0.00 0.00 179.01 180.05 1dxv h LEU 91 N 0.87 0.75 -1.47 1.33 5.85 -0.73 0.13 115.31 122.04 1dxv h LEU 91 Ca 0.26 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1dxv h LEU 91 Cb -0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1dxv h LEU 91 CO -0.08 0.62 -0.15 0.45 -0.34 0.00 0.00 178.44 178.94 1dxv h HIS 92 N 0.82 0.17 0.00 1.25 3.86 -0.74 -0.45 115.15 120.06 1dxv h HIS 92 Ca 0.21 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1dxv h HIS 92 Cb 0.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1dxv h HIS 92 CO -0.01 0.31 -0.06 0.00 0.86 0.00 0.00 177.93 179.03 1dxv h ASP 94 N -0.84 0.94 0.00 0.00 3.32 -0.82 -3.20 116.42 115.83 1dxv h ASP 94 Ca 0.00 -0.37 -0.28 0.00 0.02 0.00 0.00 57.03 56.40 1dxv h ASP 94 Cb 0.06 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1dxv h ASP 94 CO 0.00 1.10 -2.04 0.29 -1.72 0.00 0.00 179.24 176.87 1dxv n LYS 95 N -4.21 0.45 0.09 3.56 4.76 -0.29 -4.71 118.16 117.82 1dxv n LYS 95 Ca 0.00 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1dxv n LYS 95 Cb 0.41 -1.35 0.06 0.00 -1.84 0.00 0.00 35.03 32.32 1dxv n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dxv h LEU 96 N -0.07 0.00 -1.55 -0.35 3.38 -1.31 -3.49 115.31 111.92 1dxv h LEU 96 Ca -0.41 -0.08 -0.40 0.00 0.09 0.00 0.00 57.88 57.07 1dxv h LEU 96 Cb 1.61 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.44 1dxv h LEU 96 CO -0.09 0.04 -0.79 1.41 0.09 0.00 0.00 178.44 179.11 1dxv n HIS 97 N -2.49 -2.14 -3.36 1.13 8.25 -0.29 -4.96 115.22 111.36 1dxv n HIS 97 Ca 0.01 0.90 -0.39 0.00 -0.26 0.00 0.00 57.72 57.98 1dxv n HIS 97 Cb 0.51 -4.61 -0.08 0.00 1.12 0.00 0.00 29.99 26.92 1dxv n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dxv s VAL 98 N -3.50 5.16 0.09 1.59 1.01 -0.26 -5.03 120.40 119.46 1dxv s VAL 98 Ca 0.14 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1dxv s VAL 98 Cb -0.07 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1dxv s VAL 98 CO 0.78 0.17 1.77 -0.62 0.00 0.00 0.00 175.10 177.20 1dxv s ASP 99 N 1.47 6.50 0.41 3.32 -1.08 -1.26 -4.77 116.67 121.25 1dxv s ASP 99 Ca 0.17 2.64 0.23 0.00 -0.52 0.00 0.00 52.55 55.07 1dxv s ASP 99 Cb -0.15 -2.56 1.25 0.00 -1.46 0.00 0.00 42.92 40.00 1dxv s ASP 99 CO 0.09 -0.97 1.68 -0.65 0.52 0.00 0.00 175.17 175.84 1dxv h PRO 100 N 8.70 0.00 -0.05 4.34 0.11 -1.96 -0.54 132.00 142.60 1dxv h PRO 100 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1dxv h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dxv h PRO 100 CO 0.94 0.00 -0.00 1.49 -0.21 0.00 0.00 178.00 180.22 1dxv h GLU 101 N 0.00 0.06 -0.74 1.05 4.57 -1.98 -1.51 114.58 116.02 1dxv h GLU 101 Ca 0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1dxv h GLU 101 Cb 0.25 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1dxv h GLU 101 CO 0.00 0.07 0.49 -0.91 -1.18 0.00 0.00 179.01 177.48 1dxv h ASN 102 N 0.06 0.81 -0.62 1.04 4.21 -1.46 -1.92 115.58 117.71 1dxv h ASN 102 Ca 0.02 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1dxv h ASN 102 Cb 0.05 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1dxv h ASN 102 CO 0.00 0.57 0.19 -0.26 -1.29 0.00 0.00 177.43 176.64 1dxv h PHE 103 N 0.94 1.02 -0.41 1.19 0.04 -1.46 -0.90 116.94 117.36 1dxv h PHE 103 Ca 0.29 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.86 1dxv h PHE 103 Cb -0.01 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 1dxv h PHE 103 CO -0.00 0.82 -0.16 0.00 -0.60 0.00 0.00 178.31 178.37 1dxv h ARG 104 N 0.96 0.83 -0.10 1.51 -0.00 -1.38 -0.83 114.38 115.37 1dxv h ARG 104 Ca 0.21 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1dxv h ARG 104 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 1dxv h ARG 104 CO -0.01 0.98 0.07 -0.07 0.00 0.00 0.00 179.97 180.94 1dxv h LEU 105 N 0.65 0.12 -0.64 3.04 3.38 -1.20 -1.16 115.31 119.49 1dxv h LEU 105 Ca 0.10 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1dxv h LEU 105 Cb 0.70 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1dxv h LEU 105 CO 0.05 0.08 0.41 0.25 0.09 0.00 0.00 178.44 179.33 1dxv h LEU 106 N 0.14 0.70 -0.63 1.67 5.85 -1.09 -1.38 115.31 120.56 1dxv h LEU 106 Ca 0.04 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1dxv h LEU 106 Cb -0.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1dxv h LEU 106 CO -0.01 0.50 0.35 1.23 -0.34 0.00 0.00 178.44 180.17 1dxv h GLY 107 N 0.83 0.92 1.37 3.75 0.00 -0.76 0.27 103.07 109.45 1dxv h GLY 107 Ca 0.25 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1dxv h GLY 107 CO -0.08 0.16 -0.20 3.43 0.00 0.00 0.00 176.54 179.86 1dxv h ASN 108 N 0.66 0.73 -0.51 0.19 2.35 -0.70 -1.99 115.58 116.31 1dxv h ASN 108 Ca 0.28 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1dxv h ASN 108 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1dxv h ASN 108 CO -0.17 0.92 -0.10 0.58 -1.65 0.00 0.00 177.43 177.02 1dxv h VAL 109 N 0.64 1.27 -0.52 2.81 2.07 -0.76 -2.31 116.25 119.45 1dxv h VAL 109 Ca 0.09 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1dxv h VAL 109 Cb 0.69 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1dxv h VAL 109 CO 0.05 0.44 0.35 0.25 0.02 0.00 0.00 177.57 178.68 1dxv h LEU 110 N 0.89 0.60 -0.69 2.57 5.85 -0.15 0.45 115.31 124.83 1dxv h LEU 110 Ca 0.14 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1dxv h LEU 110 Cb 0.65 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1dxv h LEU 110 CO 0.05 0.44 0.42 0.58 -0.34 0.00 0.00 178.44 179.59 1dxv h VAL 111 N 0.71 1.20 -0.75 1.05 2.07 -1.14 -0.31 116.25 119.08 1dxv h VAL 111 Ca 0.19 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dxv h VAL 111 Cb -0.08 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1dxv h VAL 111 CO -0.04 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.17 1dxv h VAL 113 N 1.02 1.17 -0.80 0.00 2.07 -0.39 -1.01 116.25 118.31 1dxv h VAL 113 Ca 0.26 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1dxv h VAL 113 Cb 0.01 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1dxv h VAL 113 CO -0.05 0.19 0.40 -0.07 0.02 0.00 0.00 177.57 178.06 1dxv h LEU 114 N 0.47 1.04 -0.66 2.57 3.38 -0.82 0.42 115.31 121.71 1dxv h LEU 114 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dxv h LEU 114 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1dxv h LEU 114 CO -0.02 0.88 0.37 0.00 0.09 0.00 0.00 178.44 179.76 1dxv h ALA 115 N 1.21 0.84 -0.38 1.53 0.00 -0.92 0.33 119.26 121.87 1dxv h ALA 115 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1dxv h ALA 115 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1dxv h ALA 115 CO -0.04 0.35 0.01 1.25 0.00 0.00 0.00 179.25 180.82 1dxv h HIS 116 N 0.90 0.72 -0.29 0.00 -0.00 -0.85 0.49 115.15 116.12 1dxv h HIS 116 Ca 0.23 -0.12 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1dxv h HIS 116 Cb 0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 1dxv h HIS 116 CO -0.01 0.74 -0.04 0.45 -0.00 0.00 0.00 177.93 179.07 1dxv h HIS 117 N 0.49 0.60 0.00 5.26 -0.00 -0.65 -3.34 115.15 117.52 1dxv h HIS 117 Ca 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1dxv h HIS 117 Cb 0.45 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1dxv h HIS 117 CO 0.03 0.71 -0.99 1.19 -0.00 0.00 0.00 177.93 178.88 1dxv n PHE 118 N -4.53 0.05 -1.28 2.45 3.72 0.11 -5.05 117.46 112.94 1dxv n PHE 118 Ca -0.03 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1dxv n PHE 118 Cb 0.29 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1dxv n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxv n GLY 119 N 1.45 3.00 0.33 1.37 0.00 0.16 -2.12 105.19 109.39 1dxv n GLY 119 Ca 0.03 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1dxv n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dxv h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.03 116.57 118.29 1dxv h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1dxv h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dxv h LYS 120 CO 0.00 0.00 -0.09 0.93 -2.00 0.00 0.00 179.45 178.29 1dxv h GLU 121 N 0.00 0.00 -4.15 0.07 5.08 -1.82 -3.31 114.58 110.45 1dxv h GLU 121 Ca 0.03 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.67 1dxv h GLU 121 Cb 0.26 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1dxv h GLU 121 CO -0.00 0.09 2.47 0.34 -1.00 0.00 0.00 179.01 180.91 1dxv n PHE 122 N -3.26 3.62 -1.36 4.33 7.35 -0.02 -4.94 117.46 123.18 1dxv n PHE 122 Ca -0.00 -2.93 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 1dxv n PHE 122 Cb 0.33 -2.32 0.12 0.00 0.35 0.00 0.00 39.48 37.96 1dxv n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxv s THR 123 N 2.21 2.67 0.22 -2.13 -4.23 -1.25 -4.71 115.64 108.43 1dxv s THR 123 Ca 0.45 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1dxv s THR 123 Cb 0.10 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.30 1dxv s THR 123 CO -0.03 -0.28 1.71 -0.65 -0.54 0.00 0.00 174.62 174.83 1dxv h PRO 124 N -1.42 0.30 -0.52 3.99 0.11 -1.93 0.12 132.00 132.65 1dxv h PRO 124 Ca -0.49 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1dxv h PRO 124 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1dxv h PRO 124 CO 0.57 0.20 -0.01 -1.35 -0.21 0.00 0.00 178.00 177.20 1dxv h PRO 125 N 0.31 0.88 -0.48 1.05 0.11 -1.99 -1.26 132.00 130.62 1dxv h PRO 125 Ca 0.36 -0.26 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1dxv h PRO 125 Cb 0.55 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1dxv h PRO 125 CO -0.42 0.89 0.03 0.28 -0.21 0.00 0.00 178.00 178.56 1dxv h VAL 126 N 0.82 1.26 -0.29 3.15 2.07 -1.61 -1.86 116.25 119.78 1dxv h VAL 126 Ca 0.15 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1dxv h VAL 126 Cb 0.50 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1dxv h VAL 126 CO 0.02 0.36 0.14 -0.61 0.02 0.00 0.00 177.57 177.50 1dxv h GLN 127 N 0.69 0.29 -0.71 1.57 4.15 -0.53 -1.54 115.11 119.03 1dxv h GLN 127 Ca 0.14 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.64 1dxv h GLN 127 Cb 0.47 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1dxv h GLN 127 CO 0.02 0.19 0.34 0.00 -1.93 0.00 0.00 178.83 177.46 1dxv h ALA 128 N 1.15 0.99 -0.24 3.38 0.00 -0.99 0.44 119.26 123.99 1dxv h ALA 128 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dxv h ALA 128 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dxv h ALA 128 CO -0.09 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.15 1dxv h ALA 129 N 1.44 0.31 -0.08 0.00 0.00 -0.98 -2.52 119.26 117.43 1dxv h ALA 129 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1dxv h ALA 129 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dxv h ALA 129 CO -0.29 -0.03 -0.23 1.88 0.00 0.00 0.00 179.25 180.59 1dxv h TYR 130 N 0.21 0.15 -0.69 0.00 0.05 -0.28 -2.06 116.97 114.35 1dxv h TYR 130 Ca 0.07 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1dxv h TYR 130 Cb 0.28 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1dxv h TYR 130 CO 0.01 0.37 0.45 1.96 -1.05 0.00 0.00 178.16 179.90 1dxv h GLN 131 N 0.13 0.91 -0.58 4.88 1.08 0.12 0.67 115.11 122.32 1dxv h GLN 131 Ca 0.02 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1dxv h GLN 131 Cb 0.48 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1dxv h GLN 131 CO 0.03 0.61 0.17 0.87 -0.95 0.00 0.00 178.83 179.57 1dxv h LYS 132 N 0.94 0.91 -0.11 1.46 1.57 -0.98 -0.97 116.57 119.38 1dxv h LYS 132 Ca 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1dxv h LYS 132 Cb -0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1dxv h LYS 132 CO -0.05 0.83 0.05 0.28 -0.57 0.00 0.00 179.45 179.98 1dxv h VAL 133 N 0.83 1.15 -0.59 0.50 2.07 -0.87 -0.76 116.25 118.57 1dxv h VAL 133 Ca 0.19 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1dxv h VAL 133 Cb 0.31 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1dxv h VAL 133 CO -0.00 0.13 0.12 1.62 0.02 0.00 0.00 177.57 179.46 1dxv h VAL 134 N 0.03 1.24 -0.55 2.57 3.04 -0.79 0.46 116.25 122.25 1dxv h VAL 134 Ca 0.04 -0.90 -0.09 0.00 -1.01 0.00 0.00 66.70 64.74 1dxv h VAL 134 Cb 0.17 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 1dxv h VAL 134 CO -0.00 0.34 -0.01 0.00 -1.01 0.00 0.00 177.57 176.89 1dxv h ALA 135 N 1.25 0.74 -0.26 3.17 0.00 -1.09 -2.03 119.26 121.04 1dxv h ALA 135 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dxv h ALA 135 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dxv h ALA 135 CO 0.00 0.58 0.16 0.78 0.00 0.00 0.00 179.25 180.77 1dxv h GLY 136 N 0.86 0.37 0.92 0.00 0.00 -0.50 -0.36 103.07 104.36 1dxv h GLY 136 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1dxv h GLY 136 CO 0.03 0.12 0.06 -2.08 0.00 0.00 0.00 176.54 174.68 1dxv h VAL 137 N 0.34 1.24 -0.65 4.60 2.07 -0.86 -0.24 116.25 122.75 1dxv h VAL 137 Ca 0.10 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1dxv h VAL 137 Cb -0.02 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1dxv h VAL 137 CO -0.03 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.25 1dxv h ALA 138 N 0.91 0.84 -0.55 1.67 0.00 -1.10 0.02 119.26 121.06 1dxv h ALA 138 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1dxv h ALA 138 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1dxv h ALA 138 CO 0.01 0.20 0.08 -0.91 0.00 0.00 0.00 179.25 178.63 1dxv h ASN 139 N 0.83 0.87 -0.74 0.00 2.35 -0.90 -1.62 115.58 116.39 1dxv h ASN 139 Ca 0.25 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1dxv h ASN 139 Cb -0.03 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1dxv h ASN 139 CO -0.08 0.92 0.38 0.00 -1.65 0.00 0.00 177.43 176.99 1dxv h ALA 140 N 0.99 0.94 0.00 -0.83 0.00 -0.49 -1.68 119.26 118.19 1dxv h ALA 140 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1dxv h ALA 140 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dxv h ALA 140 CO 0.01 0.48 -0.20 -0.07 0.00 0.00 0.00 179.25 179.48 1dxv h LEU 141 N 1.02 0.00 0.00 0.00 3.38 -0.77 -3.15 115.31 115.79 1dxv h LEU 141 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1dxv h LEU 141 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dxv h LEU 141 CO -0.04 0.20 -0.82 0.00 0.09 0.00 0.00 178.44 177.87 1dxv n ALA 142 N -2.18 3.40 -0.34 1.53 0.00 -0.63 -4.44 120.51 117.85 1dxv n ALA 142 Ca 0.01 -0.37 0.14 0.00 0.00 0.00 0.00 53.44 53.23 1dxv n ALA 142 Cb 0.48 -1.04 0.34 0.00 0.00 0.00 0.00 19.45 19.23 1dxv n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dxv h HIS 143 N 0.00 0.99 -0.42 0.00 6.17 -1.27 -2.17 115.15 118.45 1dxv h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1dxv h HIS 143 Cb 0.67 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1dxv h HIS 143 CO 0.00 0.14 0.00 1.63 0.71 0.00 0.00 177.93 180.41 1dxv n LYS 144 N -4.85 2.14 -2.23 5.26 4.76 -1.26 -4.95 118.16 117.04 1dxv n LYS 144 Ca 0.24 -1.76 -0.37 0.00 -2.87 0.00 0.00 58.31 53.56 1dxv n LYS 144 Cb 0.64 -1.42 -0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1dxv n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dxv s TYR 145 N -1.45 2.82 0.00 2.13 1.51 -0.82 -4.76 117.35 116.78 1dxv s TYR 145 Ca 0.35 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1dxv s TYR 145 Cb 0.19 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1dxv s TYR 145 CO 0.25 -1.60 0.00 -2.39 -1.11 0.00 0.00 175.55 170.70