#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hda s LEU 2 N 0.00 4.21 0.86 7.52 1.02 -1.26 -5.03 118.68 126.00 1hda s LEU 2 Ca 0.00 1.54 -0.13 0.00 0.02 0.00 0.00 54.13 55.56 1hda s LEU 2 Cb 0.00 -3.55 0.13 0.00 0.02 0.00 0.00 46.19 42.79 1hda s LEU 2 CO 0.00 -0.53 1.22 -0.94 0.02 0.00 0.00 176.35 176.12 1hda s SER 3 N 1.20 3.94 0.21 2.29 1.04 -1.26 -4.85 113.70 116.27 1hda s SER 3 Ca 0.48 0.50 -0.09 0.00 0.48 0.00 0.00 55.95 57.32 1hda s SER 3 Cb -0.18 -0.81 0.15 0.00 0.10 0.00 0.00 66.02 65.28 1hda s SER 3 CO 0.15 -2.23 1.83 0.00 0.98 0.00 0.00 173.24 173.98 1hda h ALA 4 N -1.25 0.98 -0.65 5.32 0.00 -2.00 -1.40 119.26 120.26 1hda h ALA 4 Ca -0.45 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1hda h ALA 4 Cb 1.29 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1hda h ALA 4 CO 0.53 0.48 0.43 0.00 0.00 0.00 0.00 179.25 180.69 1hda h ALA 5 N 1.23 0.82 -0.13 0.00 0.00 -2.00 -1.85 119.26 117.33 1hda h ALA 5 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1hda h ALA 5 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hda h ALA 5 CO -0.05 0.26 0.06 -0.44 0.00 0.00 0.00 179.25 179.08 1hda h ASP 6 N 0.88 0.10 -0.65 0.00 3.32 -1.80 -1.79 116.42 116.47 1hda h ASP 6 Ca 0.24 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1hda h ASP 6 Cb -0.10 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1hda h ASP 6 CO -0.05 0.08 0.38 0.11 -1.72 0.00 0.00 179.24 178.04 1hda h LYS 7 N 0.14 0.71 -0.54 3.56 1.57 -0.97 0.12 116.57 121.16 1hda h LYS 7 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1hda h LYS 7 Cb 0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1hda h LYS 7 CO -0.03 0.47 0.28 0.78 -0.57 0.00 0.00 179.45 180.38 1hda h GLY 8 N 0.73 0.82 0.90 3.86 0.00 -1.01 -1.40 103.07 106.97 1hda h GLY 8 Ca 0.28 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1hda h GLY 8 CO -0.14 0.37 0.25 3.43 0.00 0.00 0.00 176.54 180.46 1hda h ASN 9 N 0.73 0.41 -0.28 0.19 2.35 -0.75 0.39 115.58 118.63 1hda h ASN 9 Ca 0.19 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1hda h ASN 9 Cb 0.08 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1hda h ASN 9 CO -0.03 0.29 -0.07 0.58 -1.65 0.00 0.00 177.43 176.55 1hda h VAL 10 N 0.51 1.28 -0.46 2.81 2.07 -0.58 -0.26 116.25 121.62 1hda h VAL 10 Ca 0.17 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1hda h VAL 10 Cb 0.01 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1hda h VAL 10 CO -0.08 0.35 0.30 0.11 0.02 0.00 0.00 177.57 178.27 1hda h LYS 11 N 0.29 0.60 0.30 1.57 1.57 -1.08 -0.02 116.57 119.81 1hda h LYS 11 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1hda h LYS 11 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1hda h LYS 11 CO 0.03 0.40 -0.15 0.00 -0.57 0.00 0.00 179.45 179.16 1hda h ALA 12 N 1.17 -0.41 -0.61 3.86 0.00 -0.81 -0.62 119.26 121.85 1hda h ALA 12 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1hda h ALA 12 Cb -0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1hda h ALA 12 CO -0.04 -0.68 0.34 0.00 0.00 0.00 0.00 179.25 178.87 1hda h ALA 13 N 0.17 0.78 -0.03 0.00 0.00 -0.93 -2.07 119.26 117.18 1hda h ALA 13 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1hda h ALA 13 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hda h ALA 13 CO 0.07 0.29 -0.34 2.35 0.00 0.00 0.00 179.25 181.62 1hda h TRP 14 N 0.83 0.06 -0.19 0.00 2.91 -0.96 -1.82 115.95 116.77 1hda h TRP 14 Ca 0.22 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 1hda h TRP 14 Cb 0.03 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1hda h TRP 14 CO -0.01 0.39 -0.08 0.78 -1.03 0.00 0.00 178.44 178.49 1hda h GLY 15 N 1.04 0.32 2.00 2.65 0.00 -0.42 -2.08 103.07 106.57 1hda h GLY 15 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1hda h GLY 15 CO 0.05 0.17 -0.46 0.50 0.00 0.00 0.00 176.54 176.80 1hda h LYS 16 N 0.28 0.00 -0.13 4.80 6.56 -0.89 -3.19 116.57 124.01 1hda h LYS 16 Ca 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1hda h LYS 16 Cb 0.32 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1hda h LYS 16 CO 0.02 0.46 -0.07 0.28 -2.06 0.00 0.00 179.45 178.07 1hda h VAL 17 N 0.00 1.33 0.00 0.50 2.07 -1.00 -3.46 116.25 115.68 1hda h VAL 17 Ca -0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1hda h VAL 17 Cb 1.29 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1hda h VAL 17 CO 0.06 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1hda n GLY 18 N 0.05 2.51 0.21 2.17 0.00 -0.91 -1.19 105.19 108.03 1hda n GLY 18 Ca -0.06 0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.39 1hda n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hda h GLY 19 N 0.00 0.00 0.52 -0.02 0.00 -1.90 -2.92 103.07 98.75 1hda h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hda h GLY 19 CO 0.00 0.00 -0.13 1.42 0.00 0.00 0.00 176.54 177.83 1hda n HIS 20 N -2.50 0.00 -0.18 5.60 -0.00 -0.33 -4.48 115.22 113.33 1hda n HIS 20 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 1hda n HIS 20 Cb 0.09 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 29.93 1hda n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hda h ALA 21 N 3.77 -0.26 -0.78 -1.41 0.00 -1.64 -0.25 119.26 118.69 1hda h ALA 21 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1hda h ALA 21 Cb 0.40 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1hda h ALA 21 CO 0.00 -0.79 0.45 0.00 0.00 0.00 0.00 179.25 178.92 1hda h ALA 22 N 0.69 1.07 -0.46 0.00 0.00 -1.85 -0.89 119.26 117.83 1hda h ALA 22 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1hda h ALA 22 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1hda h ALA 22 CO -0.65 0.14 0.18 0.93 0.00 0.00 0.00 179.25 179.85 1hda h GLU 23 N 0.81 0.69 -0.08 0.00 5.08 -1.55 -1.74 114.58 117.79 1hda h GLU 23 Ca 0.35 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1hda h GLU 23 Cb 0.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1hda h GLU 23 CO -0.20 0.63 -0.31 1.88 -1.00 0.00 0.00 179.01 180.01 1hda h TYR 24 N 0.60 0.17 -0.22 4.33 0.05 -0.57 -1.29 116.97 120.05 1hda h TYR 24 Ca 0.15 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1hda h TYR 24 Cb 0.20 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1hda h TYR 24 CO 0.00 0.45 0.08 0.78 -1.05 0.00 0.00 178.16 178.42 1hda h GLY 25 N 1.03 0.36 1.08 3.88 0.00 -0.88 0.43 103.07 108.96 1hda h GLY 25 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1hda h GLY 25 CO 0.05 0.19 -0.19 0.00 0.00 0.00 0.00 176.54 176.58 1hda h ALA 26 N 0.91 0.65 -0.32 3.60 0.00 -1.08 -2.43 119.26 120.59 1hda h ALA 26 Ca 0.07 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1hda h ALA 26 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hda h ALA 26 CO -0.00 0.62 -0.46 1.49 0.00 0.00 0.00 179.25 180.89 1hda h GLU 27 N 0.80 0.84 -0.80 0.00 4.81 -1.01 -2.13 114.58 117.10 1hda h GLU 27 Ca 0.11 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1hda h GLU 27 Cb 0.77 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1hda h GLU 27 CO 0.06 1.12 0.52 0.00 -0.73 0.00 0.00 179.01 179.99 1hda h ALA 28 N 0.80 1.01 -0.04 2.92 0.00 -0.03 -0.90 119.26 123.02 1hda h ALA 28 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hda h ALA 28 Cb 1.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hda h ALA 28 CO 0.10 0.43 0.03 -0.07 0.00 0.00 0.00 179.25 179.75 1hda h LEU 29 N 1.08 0.05 -0.91 0.00 3.38 -1.36 0.36 115.31 117.92 1hda h LEU 29 Ca 0.29 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1hda h LEU 29 Cb -0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1hda h LEU 29 CO -0.06 0.09 0.59 -0.08 0.09 0.00 0.00 178.44 179.06 1hda h GLU 30 N 0.02 1.12 -0.50 1.13 4.81 -1.08 -0.28 114.58 119.80 1hda h GLU 30 Ca 0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 1hda h GLU 30 Cb 0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1hda h GLU 30 CO -0.00 0.74 -0.15 0.00 -0.73 0.00 0.00 179.01 178.87 1hda h ARG 31 N 1.15 0.96 -0.53 1.92 3.08 -0.89 -2.43 114.38 117.64 1hda h ARG 31 Ca 0.36 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1hda h ARG 31 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1hda h ARG 31 CO -0.11 1.04 0.33 1.98 -1.07 0.00 0.00 179.97 182.13 1hda h MET 32 N 0.85 0.72 -0.67 0.04 4.05 0.11 -1.29 114.93 118.73 1hda h MET 32 Ca 0.13 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 1hda h MET 32 Cb 0.71 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1hda h MET 32 CO 0.05 0.51 0.19 0.74 0.23 0.00 0.00 176.91 178.63 1hda h PHE 33 N 0.71 1.08 0.01 1.39 0.04 -0.97 0.42 116.94 119.63 1hda h PHE 33 Ca 0.19 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 1hda h PHE 33 Cb -0.03 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 37.82 1hda h PHE 33 CO -0.03 0.87 -0.41 -0.07 -0.60 0.00 0.00 178.31 178.07 1hda h LEU 34 N 1.00 0.35 -0.40 1.54 3.38 -1.16 -3.17 115.31 116.86 1hda h LEU 34 Ca 0.22 -0.79 -0.17 0.00 0.09 0.00 0.00 57.88 57.22 1hda h LEU 34 Cb 0.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1hda h LEU 34 CO -0.00 1.10 -0.80 0.28 0.09 0.00 0.00 178.44 179.10 1hda h SER 35 N -0.36 0.04 -2.62 -0.43 0.02 -1.24 -3.39 113.55 105.58 1hda h SER 35 Ca -0.05 -0.04 -0.60 0.00 -0.84 0.00 0.00 61.79 60.26 1hda h SER 35 Cb 1.17 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 63.30 1hda h SER 35 CO 0.08 0.83 -0.81 0.49 -1.14 0.00 0.00 176.83 176.28 1hda n PHE 36 N -3.61 0.87 0.20 3.45 3.72 0.13 -5.00 117.46 117.23 1hda n PHE 36 Ca -0.01 -3.74 0.16 0.00 -0.05 0.00 0.00 57.45 53.82 1hda n PHE 36 Cb 0.77 -0.14 0.81 0.00 -0.94 0.00 0.00 39.48 39.98 1hda n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hda h PRO 37 N 5.41 0.00 0.00 -1.08 0.13 -1.73 -1.75 132.00 132.97 1hda h PRO 37 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1hda h PRO 37 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1hda h PRO 37 CO 0.53 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.09 1hda h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.92 -1.42 112.91 112.48 1hda h THR 38 Ca 0.08 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1hda h THR 38 Cb 0.43 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1hda h THR 38 CO -0.00 0.00 -0.07 0.71 -0.25 0.00 0.00 175.52 175.91 1hda h THR 39 N 0.00 0.20 0.00 6.82 1.35 -1.64 -2.74 112.91 116.90 1hda h THR 39 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1hda h THR 39 Cb 0.09 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1hda h THR 39 CO 0.00 0.07 0.00 0.11 -0.25 0.00 0.00 175.52 175.45 1hda h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -2.83 116.57 118.57 1hda h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hda h LYS 40 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1hda h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1hda h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.67 -1.72 112.91 110.70 1hda h THR 41 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1hda h THR 41 Cb 0.35 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1hda h THR 41 CO 0.00 0.00 -0.30 -1.22 -0.25 0.00 0.00 175.52 173.75 1hda n TYR 42 N -2.35 0.00 -2.96 4.73 4.01 -1.07 -4.34 117.16 115.19 1hda n TYR 42 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1hda n TYR 42 Cb 0.16 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1hda n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hda n PHE 43 N -0.63 2.38 0.30 -0.72 3.01 -0.65 -4.92 117.46 116.23 1hda n PHE 43 Ca 0.11 -3.74 0.18 0.00 1.01 0.00 0.00 57.45 55.01 1hda n PHE 43 Cb 0.36 -0.41 0.79 0.00 -0.01 0.00 0.00 39.48 40.21 1hda n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hda h PRO 44 N 2.95 0.00 -0.21 -1.08 0.13 -1.76 -2.90 132.00 129.12 1hda h PRO 44 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1hda h PRO 44 Cb 0.77 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 1hda h PRO 44 CO 0.68 0.00 -0.11 0.72 -0.23 0.00 0.00 178.00 179.06 1hda n HIS 45 N -2.91 0.70 -4.10 1.56 8.25 -1.26 -4.98 115.22 112.47 1hda n HIS 45 Ca -0.00 -1.30 -0.33 0.00 -0.26 0.00 0.00 57.72 55.83 1hda n HIS 45 Cb 0.22 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 30.91 1hda n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1hda s PHE 46 N -3.08 3.27 -0.51 4.41 0.40 -1.10 -5.06 117.98 116.32 1hda s PHE 46 Ca 0.41 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.69 1hda s PHE 46 Cb 0.36 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 42.21 1hda s PHE 46 CO 0.02 0.54 0.86 0.34 0.70 0.00 0.00 175.22 177.68 1hda s ASP 47 N -1.80 6.36 0.00 1.36 2.15 -1.26 -4.89 116.67 118.60 1hda s ASP 47 Ca 0.23 -0.29 0.20 0.00 0.43 0.00 0.00 52.55 53.12 1hda s ASP 47 Cb -0.12 -2.41 0.56 0.00 -0.30 0.00 0.00 42.92 40.65 1hda s ASP 47 CO 0.15 -1.08 1.47 0.18 -0.17 0.00 0.00 175.17 175.71 1hda n LEU 48 N 7.07 3.40 -4.73 -1.34 4.77 -1.26 -4.45 117.00 120.47 1hda n LEU 48 Ca 0.01 -1.70 -0.36 0.00 -0.03 0.00 0.00 56.01 53.94 1hda n LEU 48 Cb 0.48 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1hda n LEU 48 CO 0.61 0.85 0.85 -0.94 -1.33 0.00 0.00 177.39 177.43 1hda s SER 49 N -1.01 4.52 0.17 -1.43 1.04 -1.26 -4.88 113.70 110.85 1hda s SER 49 Ca 0.43 2.48 -0.33 0.00 0.48 0.00 0.00 55.95 59.01 1hda s SER 49 Cb 0.22 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.61 1hda s SER 49 CO 0.29 -2.05 1.70 1.57 0.98 0.00 0.00 173.24 175.73 1hda n HIS 50 N -2.19 2.55 -0.71 5.02 -0.00 -1.26 -1.90 115.22 116.74 1hda n HIS 50 Ca 0.15 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1hda n HIS 50 Cb 0.49 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1hda n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hda n GLY 51 N 3.83 0.85 3.65 1.57 0.00 -1.26 -5.03 105.19 108.80 1hda n GLY 51 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1hda n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hda n SER 52 N 0.00 1.83 0.12 1.61 3.41 -0.80 -4.86 113.62 114.93 1hda n SER 52 Ca 0.00 1.09 0.02 0.00 -0.26 0.00 0.00 58.87 59.73 1hda n SER 52 Cb 0.00 -1.40 0.39 0.00 -0.26 0.00 0.00 64.21 62.94 1hda n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hda h ALA 53 N 1.88 1.50 -0.21 7.33 0.00 -1.92 -2.01 119.26 125.84 1hda h ALA 53 Ca -0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1hda h ALA 53 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1hda h ALA 53 CO 0.59 0.35 0.06 1.96 0.00 0.00 0.00 179.25 182.21 1hda h GLN 54 N 0.21 0.32 -0.31 0.00 4.20 -1.90 0.98 115.11 118.62 1hda h GLN 54 Ca 0.04 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1hda h GLN 54 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1hda h GLN 54 CO 0.02 0.43 -0.37 0.28 -0.67 0.00 0.00 178.83 178.52 1hda h VAL 55 N 0.16 1.29 -0.46 -0.54 2.07 -1.73 -0.57 116.25 116.47 1hda h VAL 55 Ca 0.07 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 1hda h VAL 55 Cb 0.24 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1hda h VAL 55 CO -0.00 0.50 0.02 0.11 0.02 0.00 0.00 177.57 178.22 1hda h LYS 56 N 0.59 0.80 -0.56 1.57 1.57 -1.27 0.19 116.57 119.44 1hda h LYS 56 Ca 0.05 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1hda h LYS 56 Cb 0.90 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1hda h LYS 56 CO 0.08 0.84 0.05 0.78 -0.57 0.00 0.00 179.45 180.63 1hda h GLY 57 N 0.65 1.03 1.33 3.86 0.00 -0.64 -2.12 103.07 107.18 1hda h GLY 57 Ca 0.13 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.56 1hda h GLY 57 CO 0.02 0.67 -0.60 0.84 0.00 0.00 0.00 176.54 177.46 1hda h HIS 58 N 0.84 0.88 -0.47 5.60 -0.00 -0.99 -2.77 115.15 118.25 1hda h HIS 58 Ca 0.16 -0.33 -0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1hda h HIS 58 Cb 0.48 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1hda h HIS 58 CO 0.04 1.12 0.28 0.78 -0.00 0.00 0.00 177.93 180.14 1hda h GLY 59 N 0.88 0.67 1.37 5.26 0.00 -0.47 -0.99 103.07 109.79 1hda h GLY 59 Ca -0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 1hda h GLY 59 CO 0.12 0.26 -0.78 0.00 0.00 0.00 0.00 176.54 176.14 1hda h ALA 60 N 1.67 0.43 -0.34 3.60 0.00 -1.25 -1.83 119.26 121.54 1hda h ALA 60 Ca 0.17 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1hda h ALA 60 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hda h ALA 60 CO -0.03 0.72 -0.25 0.87 0.00 0.00 0.00 179.25 180.56 1hda h LYS 61 N 0.41 0.78 -0.24 0.00 1.57 -1.12 -0.45 116.57 117.51 1hda h LYS 61 Ca -0.05 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1hda h LYS 61 Cb 1.38 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1hda h LYS 61 CO 0.15 1.00 0.15 0.28 -0.57 0.00 0.00 179.45 180.46 1hda h VAL 62 N 0.56 1.07 -0.70 0.50 2.07 -1.22 -1.41 116.25 117.12 1hda h VAL 62 Ca 0.07 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1hda h VAL 62 Cb 0.81 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1hda h VAL 62 CO 0.07 0.07 0.46 0.00 0.02 0.00 0.00 177.57 178.18 1hda h ALA 63 N 1.07 1.49 -0.15 1.67 0.00 -1.22 -1.45 119.26 120.68 1hda h ALA 63 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1hda h ALA 63 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1hda h ALA 63 CO -0.02 0.47 -0.56 0.00 0.00 0.00 0.00 179.25 179.14 1hda h ALA 64 N 1.55 0.76 -0.52 0.00 0.00 -0.59 -0.86 119.26 119.60 1hda h ALA 64 Ca 0.26 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1hda h ALA 64 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hda h ALA 64 CO -0.05 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.10 1hda h ALA 65 N 1.06 0.68 -0.73 0.00 0.00 -0.76 -1.02 119.26 118.48 1hda h ALA 65 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1hda h ALA 65 Cb 1.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1hda h ALA 65 CO 0.10 0.30 0.20 -0.07 0.00 0.00 0.00 179.25 179.78 1hda h LEU 66 N 0.71 1.09 -0.87 0.00 3.38 -1.11 -0.13 115.31 118.39 1hda h LEU 66 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1hda h LEU 66 Cb 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1hda h LEU 66 CO -0.01 1.03 0.56 0.74 0.09 0.00 0.00 178.44 180.84 1hda h THR 67 N 1.10 1.23 -0.26 0.22 2.02 -0.84 0.15 112.91 116.54 1hda h THR 67 Ca 0.23 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 1hda h THR 67 Cb 0.35 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1hda h THR 67 CO -0.00 0.23 -0.22 0.50 0.37 0.00 0.00 175.52 176.40 1hda h LYS 68 N 1.18 0.47 -0.00 6.66 3.64 -0.68 -2.47 116.57 125.36 1hda h LYS 68 Ca 0.32 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1hda h LYS 68 Cb -0.11 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1hda h LYS 68 CO -0.07 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 1hda h ALA 69 N 1.35 0.01 -0.56 5.00 0.00 0.42 -2.86 119.26 122.62 1hda h ALA 69 Ca 0.07 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1hda h ALA 69 Cb 0.61 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1hda h ALA 69 CO 0.04 -0.41 0.38 0.28 0.00 0.00 0.00 179.25 179.55 1hda h VAL 70 N -0.17 0.85 0.00 0.00 2.07 -0.42 -2.15 116.25 116.42 1hda h VAL 70 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1hda h VAL 70 Cb 0.18 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1hda h VAL 70 CO -0.00 0.05 0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1hda h GLU 71 N 0.28 0.00 -1.21 1.57 5.08 -1.23 -3.34 114.58 115.73 1hda h GLU 71 Ca 0.26 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.16 1hda h GLU 71 Cb 0.66 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.50 1hda h GLU 71 CO -0.06 0.00 -0.99 0.72 -1.00 0.00 0.00 179.01 177.69 1hda n HIS 72 N -2.70 2.17 0.32 4.33 8.25 -0.82 -4.91 115.22 121.86 1hda n HIS 72 Ca 0.04 -2.91 0.20 0.00 -0.26 0.00 0.00 57.72 54.79 1hda n HIS 72 Cb 0.44 -0.25 1.12 0.00 1.12 0.00 0.00 29.99 32.42 1hda n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hda h LEU 73 N 2.80 0.00 -1.56 2.41 4.07 -1.65 -0.59 115.31 120.79 1hda h LEU 73 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1hda h LEU 73 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1hda h LEU 73 CO 0.65 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.48 1hda n ASP 74 N -3.35 2.38 -2.82 -0.43 8.00 -1.26 -4.48 116.55 114.59 1hda n ASP 74 Ca -0.03 -1.80 -0.11 0.00 0.71 0.00 0.00 54.79 53.56 1hda n ASP 74 Cb 0.08 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 1hda n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hda n ASP 75 N 0.82 -0.90 -0.13 -2.24 2.03 -0.24 -4.99 116.55 110.90 1hda n ASP 75 Ca 0.17 -3.08 -0.05 0.00 0.52 0.00 0.00 54.79 52.34 1hda n ASP 75 Cb 0.47 0.73 0.03 0.00 -0.72 0.00 0.00 41.12 41.63 1hda n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hda h LEU 76 N 2.76 0.24 -1.48 -2.67 4.07 -1.75 0.43 115.31 116.91 1hda h LEU 76 Ca -0.10 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.91 1hda h LEU 76 Cb 1.13 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1hda h LEU 76 CO 0.23 0.18 0.36 -0.65 -1.08 0.00 0.00 178.44 177.47 1hda h PRO 77 N 0.38 0.69 0.14 1.13 0.11 -1.94 0.16 132.00 132.67 1hda h PRO 77 Ca 0.19 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.06 1hda h PRO 77 Cb 0.14 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.11 1hda h PRO 77 CO -0.16 0.45 -0.88 0.78 -0.21 0.00 0.00 178.00 177.98 1hda h GLY 78 N 0.71 0.34 1.76 -0.55 0.00 -1.87 -2.80 103.07 100.65 1hda h GLY 78 Ca 0.20 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 1hda h GLY 78 CO -0.05 0.76 0.01 0.00 0.00 0.00 0.00 176.54 177.27 1hda h ALA 79 N 0.07 1.63 -0.25 3.60 0.00 -0.63 -3.16 119.26 120.53 1hda h ALA 79 Ca -0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1hda h ALA 79 Cb 1.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1hda h ALA 79 CO 0.14 0.28 -0.03 1.28 0.00 0.00 0.00 179.25 180.93 1hda n LEU 80 N -4.37 3.72 -0.03 0.00 4.77 0.02 -4.80 117.00 116.30 1hda n LEU 80 Ca 0.00 -3.26 -0.11 0.00 -0.03 0.00 0.00 56.01 52.61 1hda n LEU 80 Cb 0.18 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1hda n LEU 80 CO 0.37 0.86 0.92 0.77 -1.33 0.00 0.00 177.39 178.97 1hda h SER 81 N 1.29 0.19 -0.58 -1.43 4.64 -1.46 -1.90 113.55 114.31 1hda h SER 81 Ca 0.07 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1hda h SER 81 Cb 1.44 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.43 1hda h SER 81 CO 0.24 0.17 0.32 1.05 -0.87 0.00 0.00 176.83 177.75 1hda h GLU 82 N 0.19 0.60 0.00 4.77 9.09 -1.87 -1.52 114.58 125.86 1hda h GLU 82 Ca 0.06 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.38 1hda h GLU 82 Cb 0.01 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 26.97 1hda h GLU 82 CO -0.01 0.40 -0.23 -0.07 0.05 0.00 0.00 179.01 179.15 1hda h LEU 83 N 0.62 0.00 -0.20 3.06 3.38 -1.88 -0.60 115.31 119.69 1hda h LEU 83 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1hda h LEU 83 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1hda h LEU 83 CO -0.15 0.23 -0.55 0.28 0.09 0.00 0.00 178.44 178.35 1hda h SER 84 N 0.00 0.82 0.07 -0.43 0.02 -0.47 -1.85 113.55 111.71 1hda h SER 84 Ca -0.00 -0.58 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1hda h SER 84 Cb 0.55 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hda h SER 84 CO 0.03 1.26 -0.03 0.44 -1.14 0.00 0.00 176.83 177.38 1hda h ASP 85 N 0.43 -0.08 0.14 3.07 3.32 -1.10 0.30 116.42 122.50 1hda h ASP 85 Ca -0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1hda h ASP 85 Cb 1.17 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1hda h ASP 85 CO 0.12 -0.04 -0.07 0.25 -1.72 0.00 0.00 179.24 177.78 1hda h LEU 86 N -0.11 -0.16 -0.65 1.55 5.85 -1.12 0.17 115.31 120.84 1hda h LEU 86 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1hda h LEU 86 Cb 0.09 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1hda h LEU 86 CO 0.02 -0.11 0.14 0.45 -0.34 0.00 0.00 178.44 178.60 1hda h HIS 87 N -0.19 1.12 -0.32 1.25 3.86 -1.29 -1.21 115.15 118.37 1hda h HIS 87 Ca -0.02 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.01 1hda h HIS 87 Cb 0.15 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1hda h HIS 87 CO -0.07 0.93 0.03 0.00 0.86 0.00 0.00 177.93 179.69 1hda h ALA 88 N 1.05 0.43 0.00 2.45 0.00 -0.78 0.45 119.26 122.86 1hda h ALA 88 Ca 0.20 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1hda h ALA 88 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1hda h ALA 88 CO 0.01 0.15 -2.08 0.72 0.00 0.00 0.00 179.25 178.04 1hda n HIS 89 N -4.58 0.13 0.00 0.00 8.25 0.57 -4.60 115.22 114.99 1hda n HIS 89 Ca -0.02 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1hda n HIS 89 Cb 0.23 -0.78 -0.01 0.00 1.12 0.00 0.00 29.99 30.56 1hda n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1hda n LYS 90 N -2.54 0.10 0.02 -0.41 4.81 -0.51 -4.87 118.16 114.76 1hda n LYS 90 Ca -0.17 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.20 1hda n LYS 90 Cb 0.85 -0.54 -0.06 0.00 0.02 0.00 0.00 35.03 35.29 1hda n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hda h LEU 91 N -0.19 0.05 -2.76 3.14 3.38 -1.50 -3.47 115.31 113.96 1hda h LEU 91 Ca 0.00 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.49 1hda h LEU 91 Cb 0.19 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1hda h LEU 91 CO 0.00 0.05 -0.92 0.54 0.09 0.00 0.00 178.44 178.20 1hda n ARG 92 N -5.05 -2.02 -2.79 1.13 1.74 0.16 -4.93 116.66 104.89 1hda n ARG 92 Ca -0.06 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 1hda n ARG 92 Cb 0.03 -4.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.24 1hda n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hda s VAL 93 N -3.65 4.82 0.21 1.55 1.01 -1.26 -4.99 120.40 118.10 1hda s VAL 93 Ca 0.30 1.84 -0.32 0.00 0.00 0.00 0.00 61.98 63.80 1hda s VAL 93 Cb -0.11 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.90 1hda s VAL 93 CO 0.88 0.00 1.47 -0.67 0.00 0.00 0.00 175.10 176.78 1hda n ASP 94 N 5.20 2.86 -0.34 3.32 -0.08 -1.26 -4.86 116.55 121.39 1hda n ASP 94 Ca 0.07 1.12 0.36 0.00 -1.51 0.00 0.00 54.79 54.83 1hda n ASP 94 Cb 0.49 -1.42 0.75 0.00 2.34 0.00 0.00 41.12 43.27 1hda n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hda h PRO 95 N 4.86 0.00 -0.16 -0.67 0.11 -2.00 -1.54 132.00 132.60 1hda h PRO 95 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1hda h PRO 95 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1hda h PRO 95 CO 0.81 0.00 -0.03 -0.39 -0.21 0.00 0.00 178.00 178.18 1hda h VAL 96 N 0.00 1.12 0.00 3.15 -1.51 -2.03 -2.73 116.25 114.25 1hda h VAL 96 Ca 0.58 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 65.55 1hda h VAL 96 Cb 2.39 1.04 -0.00 0.00 -2.13 0.00 0.00 31.29 32.59 1hda h VAL 96 CO -0.01 0.16 -0.06 0.78 -1.23 0.00 0.00 177.57 177.21 1hda h ASN 97 N 0.22 0.00 -0.59 4.19 2.35 -1.64 -2.56 115.58 117.56 1hda h ASN 97 Ca 0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1hda h ASN 97 Cb 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1hda h ASN 97 CO 0.01 0.06 0.14 -0.26 -1.65 0.00 0.00 177.43 175.73 1hda h PHE 98 N 0.00 1.03 -0.47 1.19 -1.00 -1.67 -2.47 116.94 113.55 1hda h PHE 98 Ca -0.00 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 60.59 1hda h PHE 98 Cb 0.20 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 1hda h PHE 98 CO 0.00 0.86 -0.02 0.87 -1.61 0.00 0.00 178.31 178.41 1hda h LYS 99 N 0.94 0.78 -0.64 1.51 1.57 -1.62 -1.39 116.57 117.73 1hda h LYS 99 Ca 0.20 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1hda h LYS 99 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1hda h LYS 99 CO 0.00 0.80 0.05 -0.07 -0.57 0.00 0.00 179.45 179.66 1hda h LEU 100 N 0.73 1.06 -0.20 2.94 3.38 -1.47 -1.64 115.31 120.10 1hda h LEU 100 Ca 0.14 -0.28 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 1hda h LEU 100 Cb 0.47 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1hda h LEU 100 CO 0.02 1.08 -0.74 0.25 0.09 0.00 0.00 178.44 179.14 1hda h LEU 101 N 1.00 0.93 -0.09 1.67 5.85 -1.33 -2.58 115.31 120.77 1hda h LEU 101 Ca 0.19 -0.59 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1hda h LEU 101 Cb 0.51 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1hda h LEU 101 CO 0.02 1.39 -0.06 0.28 -0.34 0.00 0.00 178.44 179.74 1hda h SER 102 N 0.55 -0.18 -0.31 1.25 0.02 -1.15 0.16 113.55 113.89 1hda h SER 102 Ca -0.04 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1hda h SER 102 Cb 1.36 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1hda h SER 102 CO 0.15 -0.08 0.12 -0.74 -1.14 0.00 0.00 176.83 175.14 1hda h HIS 103 N -0.06 0.22 -0.64 3.45 -0.00 -1.33 -0.91 115.15 115.88 1hda h HIS 103 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1hda h HIS 103 Cb 0.14 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 1hda h HIS 103 CO -0.17 0.10 0.40 0.77 -0.00 0.00 0.00 177.93 179.03 1hda h SER 104 N 0.26 0.75 -0.23 3.26 0.02 -1.11 0.89 113.55 117.40 1hda h SER 104 Ca 0.14 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1hda h SER 104 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1hda h SER 104 CO -0.13 0.57 -0.44 0.25 -1.14 0.00 0.00 176.83 175.93 1hda h LEU 105 N 0.88 0.85 -0.36 5.07 5.85 -0.44 -1.37 115.31 125.78 1hda h LEU 105 Ca 0.23 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1hda h LEU 105 Cb -0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1hda h LEU 105 CO -0.05 1.17 0.15 0.25 -0.34 0.00 0.00 178.44 179.62 1hda h LEU 106 N 0.63 0.50 -0.34 2.25 5.85 -0.35 0.05 115.31 123.90 1hda h LEU 106 Ca 0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1hda h LEU 106 Cb 1.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1hda h LEU 106 CO 0.10 0.53 0.21 0.58 -0.34 0.00 0.00 178.44 179.52 1hda h VAL 107 N 0.44 1.10 0.20 1.05 2.07 -0.78 -1.01 116.25 119.32 1hda h VAL 107 Ca 0.12 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1hda h VAL 107 Cb 0.19 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1hda h VAL 107 CO -0.01 0.10 -0.11 0.74 0.02 0.00 0.00 177.57 178.31 1hda h THR 108 N 0.44 0.77 -0.35 2.57 2.02 -0.90 -2.32 112.91 115.14 1hda h THR 108 Ca 0.12 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1hda h THR 108 Cb -0.02 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1hda h THR 108 CO -0.02 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.92 1hda h LEU 109 N -0.29 0.14 -0.66 2.58 3.38 -0.85 -1.86 115.31 117.74 1hda h LEU 109 Ca -0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1hda h LEU 109 Cb 0.24 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1hda h LEU 109 CO 0.03 0.12 0.38 0.00 0.09 0.00 0.00 178.44 179.06 1hda h ALA 110 N 1.23 0.88 0.00 1.53 0.00 -1.06 0.55 119.26 122.39 1hda h ALA 110 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1hda h ALA 110 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hda h ALA 110 CO -0.16 0.08 -0.28 0.66 0.00 0.00 0.00 179.25 179.55 1hda h SER 111 N 0.72 0.00 0.56 0.00 4.64 -0.93 -3.06 113.55 115.48 1hda h SER 111 Ca 0.29 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 1hda h SER 111 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1hda h SER 111 CO -0.16 0.28 -1.50 1.41 -0.87 0.00 0.00 176.83 175.98 1hda n HIS 112 N -3.55 0.64 -3.15 4.77 -0.00 -0.72 -4.56 115.22 108.63 1hda n HIS 112 Ca -0.01 0.20 -0.22 0.00 -0.00 0.00 0.00 57.72 57.69 1hda n HIS 112 Cb 0.42 -0.88 -0.05 0.00 -0.00 0.00 0.00 29.99 29.49 1hda n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hda n LEU 113 N -2.63 1.90 -0.29 2.41 4.77 0.11 -4.98 117.00 118.28 1hda n LEU 113 Ca -0.07 -5.16 0.05 0.00 -0.03 0.00 0.00 56.01 50.80 1hda n LEU 113 Cb 0.69 0.25 0.19 0.00 -2.33 0.00 0.00 43.42 42.22 1hda n LEU 113 CO 0.43 2.24 1.12 -0.65 -1.33 0.00 0.00 177.39 179.20 1hda h PRO 114 N 3.32 0.69 -0.01 3.23 0.11 -1.77 -1.53 132.00 136.03 1hda h PRO 114 Ca 0.11 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.02 1hda h PRO 114 Cb 0.81 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1hda h PRO 114 CO 0.61 0.46 -0.73 0.77 -0.21 0.00 0.00 178.00 178.89 1hda h SER 115 N 0.72 0.12 0.83 -2.05 0.02 -1.94 -3.30 113.55 107.94 1hda h SER 115 Ca 0.43 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1hda h SER 115 Cb 0.49 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1hda h SER 115 CO -0.30 0.81 -1.07 0.47 -1.14 0.00 0.00 176.83 175.60 1hda n ASP 116 N -3.72 0.73 -3.59 3.07 9.92 -0.92 -4.57 116.55 117.46 1hda n ASP 116 Ca -0.02 0.22 -0.41 0.00 -0.53 0.00 0.00 54.79 54.05 1hda n ASP 116 Cb 0.71 0.60 -0.01 0.00 -0.64 0.00 0.00 41.12 41.78 1hda n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1hda n PHE 117 N -2.51 3.10 -1.78 1.24 7.35 -0.62 -4.82 117.46 119.42 1hda n PHE 117 Ca 0.00 -3.00 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1hda n PHE 117 Cb 0.53 -2.48 0.05 0.00 0.35 0.00 0.00 39.48 37.93 1hda n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hda s THR 118 N 2.53 3.72 0.24 -2.13 -4.23 -1.26 -4.76 115.64 109.75 1hda s THR 118 Ca 0.54 0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1hda s THR 118 Cb 0.15 -3.48 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1hda s THR 118 CO -0.07 -0.73 1.65 -0.65 -0.54 0.00 0.00 174.62 174.28 1hda h PRO 119 N -0.68 0.15 -0.51 3.99 0.11 -1.99 0.18 132.00 133.25 1hda h PRO 119 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1hda h PRO 119 Cb 1.24 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1hda h PRO 119 CO 0.62 0.10 0.18 0.00 -0.21 0.00 0.00 178.00 178.69 1hda h ALA 120 N 1.66 0.67 -0.58 -0.75 0.00 -1.97 -1.53 119.26 116.76 1hda h ALA 120 Ca 0.40 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1hda h ALA 120 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1hda h ALA 120 CO -0.60 0.30 -0.05 0.28 0.00 0.00 0.00 179.25 179.19 1hda h VAL 121 N 0.70 1.27 -0.02 0.00 2.07 -1.55 -1.86 116.25 116.85 1hda h VAL 121 Ca 0.17 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1hda h VAL 121 Cb 0.24 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1hda h VAL 121 CO -0.01 0.43 -0.24 -0.74 0.02 0.00 0.00 177.57 177.03 1hda h HIS 122 N 0.94 -0.66 -0.77 1.57 6.17 -0.56 0.16 115.15 122.01 1hda h HIS 122 Ca 0.16 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.30 1hda h HIS 122 Cb 0.62 0.29 -0.05 0.00 2.52 0.00 0.00 27.41 30.79 1hda h HIS 122 CO 0.04 -0.33 0.48 0.00 0.71 0.00 0.00 177.93 178.83 1hda h ALA 123 N 0.49 1.02 -0.39 5.26 0.00 -1.12 -0.28 119.26 124.24 1hda h ALA 123 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1hda h ALA 123 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hda h ALA 123 CO -0.23 0.26 -0.29 0.77 0.00 0.00 0.00 179.25 179.76 1hda h SER 124 N 0.92 0.93 -0.42 0.00 0.02 -0.96 -1.90 113.55 112.14 1hda h SER 124 Ca 0.31 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1hda h SER 124 Cb 0.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1hda h SER 124 CO -0.13 1.17 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.62 1hda h LEU 125 N 0.69 0.76 -0.47 5.07 3.38 -0.42 -0.53 115.31 123.79 1hda h LEU 125 Ca 0.07 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1hda h LEU 125 Cb 0.87 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1hda h LEU 125 CO 0.08 0.91 0.21 -0.78 0.09 0.00 0.00 178.44 178.95 1hda h ASP 126 N 0.60 0.28 -0.56 -0.43 3.58 -0.98 0.19 116.42 119.10 1hda h ASP 126 Ca 0.11 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 1hda h ASP 126 Cb 0.54 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1hda h ASP 126 CO 0.03 0.20 0.04 0.11 -2.88 0.00 0.00 179.24 176.74 1hda h LYS 127 N 0.42 0.96 -0.09 0.28 1.57 -1.15 -1.58 116.57 117.00 1hda h LYS 127 Ca 0.21 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hda h LYS 127 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1hda h LYS 127 CO -0.17 0.95 0.04 0.35 -0.57 0.00 0.00 179.45 180.05 1hda h PHE 128 N 0.85 0.08 -0.80 -1.35 3.57 -0.42 -0.51 116.94 118.35 1hda h PHE 128 Ca 0.16 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1hda h PHE 128 Cb 0.49 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1hda h PHE 128 CO 0.04 0.05 0.38 -0.07 -2.23 0.00 0.00 178.31 176.47 1hda h LEU 129 N 0.09 1.06 -0.88 0.59 3.38 -0.57 0.71 115.31 119.69 1hda h LEU 129 Ca 0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1hda h LEU 129 Cb 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1hda h LEU 129 CO -0.02 0.90 0.58 0.00 0.09 0.00 0.00 178.44 179.99 1hda h ALA 130 N 1.20 1.13 -0.14 1.53 0.00 -0.86 0.19 119.26 122.30 1hda h ALA 130 Ca 0.28 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1hda h ALA 130 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hda h ALA 130 CO -0.03 0.49 -0.39 -0.97 0.00 0.00 0.00 179.25 178.35 1hda h ASN 131 N 1.17 0.32 -0.24 0.00 -0.00 -0.48 -1.31 115.58 115.04 1hda h ASN 131 Ca 0.33 -0.13 -0.13 0.00 -0.00 0.00 0.00 56.30 56.38 1hda h ASN 131 Cb -0.10 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.13 1hda h ASN 131 CO -0.08 0.68 -0.34 0.58 -0.00 0.00 0.00 177.43 178.26 1hda h VAL 132 N 0.26 1.31 -0.42 2.57 2.07 0.03 -2.23 116.25 119.84 1hda h VAL 132 Ca 0.03 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 66.05 1hda h VAL 132 Cb 0.80 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1hda h VAL 132 CO 0.06 0.48 0.19 0.28 0.02 0.00 0.00 177.57 178.60 1hda h SER 133 N 0.37 0.25 -0.63 0.57 0.02 -0.31 -1.62 113.55 112.19 1hda h SER 133 Ca 0.03 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1hda h SER 133 Cb 0.93 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 1hda h SER 133 CO 0.08 0.18 0.40 0.74 -1.14 0.00 0.00 176.83 177.09 1hda h THR 134 N 0.38 1.11 -0.36 -2.27 2.02 -1.25 -1.97 112.91 110.58 1hda h THR 134 Ca 0.19 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1hda h THR 134 Cb 0.13 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1hda h THR 134 CO -0.15 0.15 0.08 0.58 0.37 0.00 0.00 175.52 176.54 1hda h VAL 135 N 0.81 1.23 -0.16 3.16 2.07 -0.96 -2.11 116.25 120.28 1hda h VAL 135 Ca 0.25 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1hda h VAL 135 Cb -0.03 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1hda h VAL 135 CO -0.08 0.26 -0.02 -0.07 0.02 0.00 0.00 177.57 177.68 1hda h LEU 136 N 0.43 0.21 -3.00 2.57 4.07 -1.01 -2.77 115.31 115.81 1hda h LEU 136 Ca 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1hda h LEU 136 Cb 0.31 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1hda h LEU 136 CO 0.00 0.27 0.00 0.35 -1.08 0.00 0.00 178.44 177.98 1hda n THR 137 N -4.38 1.47 0.37 0.22 -2.24 -0.77 -4.47 114.28 104.48 1hda n THR 137 Ca -0.01 -1.20 0.14 0.00 -2.27 0.00 0.00 64.05 60.71 1hda n THR 137 Cb 0.18 0.26 0.53 0.00 -2.10 0.00 0.00 70.33 69.20 1hda n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hda h SER 138 N 3.04 0.00 -0.38 3.42 4.64 -1.08 -3.02 113.55 120.18 1hda h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hda h SER 138 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1hda h SER 138 CO 0.11 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1hda n LYS 139 N -2.56 2.39 -0.23 4.77 5.02 -1.26 -4.68 118.16 121.61 1hda n LYS 139 Ca 0.02 -2.08 0.02 0.00 -2.02 0.00 0.00 58.31 54.25 1hda n LYS 139 Cb 0.29 -1.37 0.26 0.00 -0.02 0.00 0.00 35.03 34.18 1hda n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hda h TYR 140 N 3.05 0.94 0.00 2.13 -1.99 -1.84 -3.46 116.97 115.80 1hda h TYR 140 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1hda h TYR 140 Cb 0.80 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1hda h TYR 140 CO 0.25 0.56 0.00 2.89 -0.00 0.00 0.00 178.16 181.86