#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgc s LEU 2 N 0.00 4.31 0.48 6.55 1.43 -1.26 -5.05 118.68 125.14 1hgc s LEU 2 Ca 0.00 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1hgc s LEU 2 Cb 0.00 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1hgc s LEU 2 CO 0.00 -0.15 0.72 -0.94 0.23 0.00 0.00 176.35 176.21 1hgc s SER 3 N 0.85 5.75 0.45 2.29 1.04 -1.26 -4.90 113.70 117.92 1hgc s SER 3 Ca 0.39 0.33 0.19 0.00 0.48 0.00 0.00 55.95 57.35 1hgc s SER 3 Cb -0.18 -1.51 1.16 0.00 0.10 0.00 0.00 66.02 65.59 1hgc s SER 3 CO 0.19 -0.80 1.91 -0.65 0.98 0.00 0.00 173.24 174.87 1hgc h PRO 4 N 0.28 0.30 0.00 4.02 0.11 -2.00 0.16 132.00 134.87 1hgc h PRO 4 Ca -0.46 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1hgc h PRO 4 Cb 1.26 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1hgc h PRO 4 CO 0.57 0.20 -0.66 0.00 -0.21 0.00 0.00 178.00 177.90 1hgc h ALA 5 N 1.64 0.60 0.20 -0.75 0.00 -1.99 -2.66 119.26 116.31 1hgc h ALA 5 Ca 0.38 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1hgc h ALA 5 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1hgc h ALA 5 CO -0.10 0.79 -0.10 -0.44 0.00 0.00 0.00 179.25 179.40 1hgc h ASP 6 N 0.00 -0.23 -0.67 0.00 3.32 -1.12 0.12 116.42 117.84 1hgc h ASP 6 Ca -0.01 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1hgc h ASP 6 Cb 1.49 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 41.04 1hgc h ASP 6 CO 0.08 0.01 0.36 0.11 -1.72 0.00 0.00 179.24 178.08 1hgc h LYS 7 N -0.48 0.63 -0.50 3.56 1.57 -1.20 0.27 116.57 120.42 1hgc h LYS 7 Ca -0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1hgc h LYS 7 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1hgc h LYS 7 CO 0.05 0.42 0.15 1.15 -0.57 0.00 0.00 179.45 180.65 1hgc h THR 8 N 0.65 1.23 -0.35 -0.16 2.02 -1.40 0.46 112.91 115.36 1hgc h THR 8 Ca 0.31 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1hgc h THR 8 Cb 0.24 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1hgc h THR 8 CO -0.21 0.28 -0.02 0.78 0.37 0.00 0.00 175.52 176.73 1hgc h ASN 9 N 0.68 0.62 0.23 4.18 2.35 -0.50 -0.60 115.58 122.54 1hgc h ASN 9 Ca 0.16 -0.32 -0.19 0.00 -0.55 0.00 0.00 56.30 55.41 1hgc h ASN 9 Cb 0.28 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hgc h ASN 9 CO -0.00 0.79 -0.73 -0.37 -1.65 0.00 0.00 177.43 175.47 1hgc h VAL 10 N 0.44 1.37 -0.12 2.81 -1.51 -0.29 -1.28 116.25 117.67 1hgc h VAL 10 Ca 0.10 -2.12 -0.01 0.00 -1.23 0.00 0.00 66.70 63.44 1hgc h VAL 10 Cb 0.48 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1hgc h VAL 10 CO 0.02 0.64 0.05 0.11 -1.23 0.00 0.00 177.57 177.16 1hgc h LYS 11 N 0.29 0.18 -0.40 5.19 1.57 0.00 -1.05 116.57 122.36 1hgc h LYS 11 Ca -0.03 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1hgc h LYS 11 Cb 1.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1hgc h LYS 11 CO 0.13 0.28 -0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1hgc h ALA 12 N 0.89 0.54 -0.16 3.86 0.00 -1.11 -1.55 119.26 121.74 1hgc h ALA 12 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1hgc h ALA 12 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hgc h ALA 12 CO -0.00 0.32 0.03 0.00 0.00 0.00 0.00 179.25 179.60 1hgc h ALA 13 N 0.89 0.21 -0.64 0.00 0.00 -1.24 -2.94 119.26 115.54 1hgc h ALA 13 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1hgc h ALA 13 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1hgc h ALA 13 CO 0.02 -0.14 0.27 2.35 0.00 0.00 0.00 179.25 181.76 1hgc h TRP 14 N 0.05 0.92 -0.85 0.00 2.91 -1.22 -2.83 115.95 114.94 1hgc h TRP 14 Ca 0.05 -0.05 0.09 0.00 1.13 0.00 0.00 58.89 60.12 1hgc h TRP 14 Cb 0.28 -0.28 -0.07 0.00 -0.51 0.00 0.00 29.16 28.58 1hgc h TRP 14 CO 0.01 0.69 0.50 0.78 -1.03 0.00 0.00 178.44 179.40 1hgc h GLY 15 N 1.00 1.33 1.66 2.65 0.00 -1.18 -0.60 103.07 107.93 1hgc h GLY 15 Ca 0.22 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1hgc h GLY 15 CO -0.02 0.16 -0.44 0.50 0.00 0.00 0.00 176.54 176.74 1hgc h LYS 16 N 0.85 0.37 -0.00 4.80 1.79 -1.33 -2.59 116.57 120.46 1hgc h LYS 16 Ca 0.41 -0.19 0.03 0.00 -2.18 0.00 0.00 60.65 58.71 1hgc h LYS 16 Cb 0.35 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 1hgc h LYS 16 CO -0.24 0.74 -0.18 0.28 -1.08 0.00 0.00 179.45 178.98 1hgc h VAL 17 N 0.30 0.57 0.00 0.50 2.07 -0.90 -3.43 116.25 115.37 1hgc h VAL 17 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1hgc h VAL 17 Cb 0.89 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1hgc h VAL 17 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1hgc n GLY 18 N -1.31 1.89 0.43 2.17 0.00 -0.83 -1.83 105.19 105.71 1hgc n GLY 18 Ca -0.05 0.47 0.24 0.00 0.00 0.00 0.00 46.02 46.69 1hgc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgc h ALA 19 N -0.42 2.42 -0.19 4.61 0.00 -1.86 -3.09 119.26 120.73 1hgc h ALA 19 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1hgc h ALA 19 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hgc h ALA 19 CO 0.00 -0.76 0.00 0.72 0.00 0.00 0.00 179.25 179.21 1hgc n HIS 20 N -4.49 0.22 -0.33 0.00 8.25 -0.76 -4.55 115.22 113.56 1hgc n HIS 20 Ca 0.23 -0.11 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1hgc n HIS 20 Cb 0.89 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 1hgc n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hgc n ALA 21 N 0.96 -0.50 -0.03 -1.41 0.00 -1.17 0.91 120.51 119.27 1hgc n ALA 21 Ca 0.17 0.66 -0.09 0.00 0.00 0.00 0.00 53.44 54.18 1hgc n ALA 21 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1hgc n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hgc h GLY 22 N 0.00 0.11 0.08 0.00 0.00 -1.83 0.97 103.07 102.40 1hgc h GLY 22 Ca 0.12 0.07 0.19 0.00 0.00 0.00 0.00 47.33 47.72 1hgc h GLY 22 CO -0.73 -0.08 0.53 0.83 0.00 0.00 0.00 176.54 177.09 1hgc h GLU 23 N -0.02 0.64 0.11 4.80 3.07 -0.87 -0.71 114.58 121.59 1hgc h GLU 23 Ca 0.09 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.62 1hgc h GLU 23 Cb 0.15 -0.14 0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1hgc h GLU 23 CO -0.19 0.42 -1.19 1.88 -1.40 0.00 0.00 179.01 178.53 1hgc h TYR 24 N 0.66 0.98 -0.57 4.33 0.05 0.19 -2.78 116.97 119.84 1hgc h TYR 24 Ca 0.55 -0.61 0.02 0.00 0.05 0.00 0.00 58.73 58.74 1hgc h TYR 24 Cb 0.89 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 1hgc h TYR 24 CO -0.05 1.46 0.35 0.78 -1.05 0.00 0.00 178.16 179.65 1hgc h GLY 25 N 0.24 0.81 0.99 3.88 0.00 0.15 -0.69 103.07 108.45 1hgc h GLY 25 Ca -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1hgc h GLY 25 CO 0.23 0.24 0.25 0.00 0.00 0.00 0.00 176.54 177.26 1hgc h ALA 26 N 1.24 0.51 -0.41 3.60 0.00 -1.19 -1.90 119.26 121.11 1hgc h ALA 26 Ca 0.23 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1hgc h ALA 26 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hgc h ALA 26 CO -0.09 -0.01 -0.16 1.49 0.00 0.00 0.00 179.25 180.48 1hgc h GLU 27 N 0.54 0.78 -0.60 0.00 4.81 -1.17 -0.47 114.58 118.45 1hgc h GLU 27 Ca 0.15 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1hgc h GLU 27 Cb -0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1hgc h GLU 27 CO -0.03 0.89 0.39 0.00 -0.73 0.00 0.00 179.01 179.53 1hgc h ALA 28 N 1.13 0.76 0.39 2.92 0.00 -0.89 0.24 119.26 123.81 1hgc h ALA 28 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1hgc h ALA 28 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1hgc h ALA 28 CO 0.05 0.18 -0.19 -0.07 0.00 0.00 0.00 179.25 179.22 1hgc h LEU 29 N 0.80 -0.45 -0.80 0.00 3.38 -1.08 0.57 115.31 117.73 1hgc h LEU 29 Ca 0.22 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1hgc h LEU 29 Cb -0.08 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1hgc h LEU 29 CO -0.06 -0.31 0.49 -0.08 0.09 0.00 0.00 178.44 178.57 1hgc h GLU 30 N -0.53 0.87 -0.73 1.13 4.81 -0.59 0.06 114.58 119.60 1hgc h GLU 30 Ca -0.05 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1hgc h GLU 30 Cb 0.41 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1hgc h GLU 30 CO 0.09 0.58 0.47 0.00 -0.73 0.00 0.00 179.01 179.42 1hgc h ARG 31 N 0.90 0.93 0.05 1.92 3.08 -0.24 -2.42 114.38 118.59 1hgc h ARG 31 Ca 0.34 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1hgc h ARG 31 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1hgc h ARG 31 CO -0.16 0.61 -0.02 1.98 -1.07 0.00 0.00 179.97 181.31 1hgc h MET 32 N 0.95 -0.06 -0.63 0.04 4.05 0.25 -1.72 114.93 117.81 1hgc h MET 32 Ca 0.28 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.81 1hgc h MET 32 Cb -0.06 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 30.67 1hgc h MET 32 CO -0.08 0.22 0.23 0.74 0.23 0.00 0.00 176.91 178.25 1hgc h PHE 33 N -0.34 0.39 -0.23 1.39 0.04 -0.95 0.41 116.94 117.65 1hgc h PHE 33 Ca -0.01 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 1hgc h PHE 33 Cb 0.31 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1hgc h PHE 33 CO 0.02 0.08 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.45 1hgc h LEU 34 N 0.40 0.66 0.05 1.54 3.38 -1.46 -2.95 115.31 116.93 1hgc h LEU 34 Ca 0.33 -0.49 -0.27 0.00 0.09 0.00 0.00 57.88 57.53 1hgc h LEU 34 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1hgc h LEU 34 CO -0.34 1.02 -1.37 0.28 0.09 0.00 0.00 178.44 178.13 1hgc h SER 35 N 0.31 0.18 -2.28 -0.43 0.02 -1.19 -3.39 113.55 106.76 1hgc h SER 35 Ca 0.03 -0.24 -0.59 0.00 -0.84 0.00 0.00 61.79 60.15 1hgc h SER 35 Cb 0.86 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 62.93 1hgc h SER 35 CO 0.07 1.20 -0.77 0.49 -1.14 0.00 0.00 176.83 176.68 1hgc n PHE 36 N -3.34 2.09 0.32 3.45 3.72 0.12 -4.95 117.46 118.88 1hgc n PHE 36 Ca -0.10 -3.94 0.18 0.00 -0.05 0.00 0.00 57.45 53.53 1hgc n PHE 36 Cb 1.01 -0.44 0.95 0.00 -0.94 0.00 0.00 39.48 40.06 1hgc n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hgc h PRO 37 N 4.43 0.00 0.00 -1.08 0.13 -1.67 0.01 132.00 133.82 1hgc h PRO 37 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1hgc h PRO 37 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1hgc h PRO 37 CO 0.68 0.00 -0.03 1.79 -0.23 0.00 0.00 178.00 180.20 1hgc h THR 38 N 0.00 0.15 0.00 1.56 1.35 -1.90 -2.06 112.91 112.01 1hgc h THR 38 Ca 0.01 -0.35 -0.04 0.00 -0.55 0.00 0.00 66.41 65.48 1hgc h THR 38 Cb 0.46 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1hgc h THR 38 CO -0.00 0.03 -0.17 0.71 -0.25 0.00 0.00 175.52 175.84 1hgc h THR 39 N 0.00 0.47 0.00 6.82 1.35 -1.30 -2.95 112.91 117.30 1hgc h THR 39 Ca -0.00 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1hgc h THR 39 Cb 0.30 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1hgc h THR 39 CO 0.00 0.17 -0.01 0.11 -0.25 0.00 0.00 175.52 175.54 1hgc h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.54 -2.97 116.57 118.35 1hgc h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hgc h LYS 40 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1hgc h LYS 40 CO 0.02 0.01 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1hgc n THR 41 N -3.14 1.09 0.16 -0.16 -2.24 -1.12 -1.67 114.28 107.21 1hgc n THR 41 Ca -0.01 0.61 0.11 0.00 -2.27 0.00 0.00 64.05 62.49 1hgc n THR 41 Cb 0.19 -1.60 -0.05 0.00 -2.10 0.00 0.00 70.33 66.76 1hgc n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1hgc n TYR 42 N -2.17 0.50 -2.84 4.78 4.01 -1.12 -4.45 117.16 115.87 1hgc n TYR 42 Ca -0.01 0.14 -0.29 0.00 -0.16 0.00 0.00 57.90 57.59 1hgc n TYR 42 Cb 0.07 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.38 1hgc n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hgc n PHE 43 N -2.39 3.83 0.07 -0.72 3.01 -0.67 -4.81 117.46 115.79 1hgc n PHE 43 Ca -0.01 -3.71 -0.06 0.00 1.01 0.00 0.00 57.45 54.68 1hgc n PHE 43 Cb 0.53 -0.54 -0.08 0.00 -0.01 0.00 0.00 39.48 39.38 1hgc n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hgc h PRO 44 N 3.09 0.00 -0.29 -1.08 0.14 -1.78 -3.22 132.00 128.87 1hgc h PRO 44 Ca 0.20 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.34 1hgc h PRO 44 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.66 1hgc h PRO 44 CO 0.88 0.95 0.00 -2.39 0.14 0.00 0.00 178.00 177.58 1hgc n HIS 45 N -3.41 0.35 -4.15 1.56 1.44 -1.26 -4.88 115.22 104.87 1hgc n HIS 45 Ca -0.00 -0.17 -0.24 0.00 -2.01 0.00 0.00 57.72 55.30 1hgc n HIS 45 Cb 0.90 -0.02 -0.07 0.00 0.12 0.00 0.00 29.99 30.92 1hgc n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hgc s PHE 46 N -1.67 2.65 -0.31 -1.40 0.40 -1.22 -5.10 117.98 111.35 1hgc s PHE 46 Ca 0.17 -0.44 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 1hgc s PHE 46 Cb 0.09 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1hgc s PHE 46 CO 0.11 0.33 0.49 0.34 0.70 0.00 0.00 175.22 177.18 1hgc s ASP 47 N -3.84 6.34 -0.26 1.36 -1.08 -1.26 -4.95 116.67 112.98 1hgc s ASP 47 Ca 0.38 0.20 0.12 0.00 -0.52 0.00 0.00 52.55 52.73 1hgc s ASP 47 Cb -0.01 -2.26 0.66 0.00 -1.46 0.00 0.00 42.92 39.86 1hgc s ASP 47 CO 0.22 -0.37 1.64 0.18 0.52 0.00 0.00 175.17 177.37 1hgc n LEU 48 N 5.60 5.13 -4.85 -1.34 4.77 -1.26 -4.42 117.00 120.62 1hgc n LEU 48 Ca -0.05 -3.19 -0.32 0.00 -0.03 0.00 0.00 56.01 52.42 1hgc n LEU 48 Cb 0.49 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1hgc n LEU 48 CO 0.42 0.80 0.50 -0.94 -1.33 0.00 0.00 177.39 176.84 1hgc s SER 49 N -1.47 6.70 -0.10 -1.43 1.04 -1.26 -4.96 113.70 112.22 1hgc s SER 49 Ca 0.50 1.35 -0.39 0.00 0.48 0.00 0.00 55.95 57.88 1hgc s SER 49 Cb 0.40 -2.40 -0.17 0.00 0.10 0.00 0.00 66.02 63.95 1hgc s SER 49 CO 0.11 -0.34 1.47 1.57 0.98 0.00 0.00 173.24 177.02 1hgc n HIS 50 N -0.86 1.61 -1.00 5.02 -0.00 -1.26 0.22 115.22 118.94 1hgc n HIS 50 Ca 0.04 0.70 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1hgc n HIS 50 Cb 0.54 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 1hgc n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hgc n GLY 51 N 3.09 0.25 3.55 1.57 0.00 -1.26 -4.98 105.19 107.40 1hgc n GLY 51 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1hgc n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hgc n SER 52 N -0.51 -0.06 -0.84 1.61 3.41 0.13 -4.78 113.62 112.60 1hgc n SER 52 Ca 0.00 0.77 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1hgc n SER 52 Cb 0.25 -1.29 0.28 0.00 -0.26 0.00 0.00 64.21 63.19 1hgc n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hgc n ALA 53 N -1.73 2.48 -0.03 7.33 0.00 -1.26 -2.11 120.51 125.19 1hgc n ALA 53 Ca 0.13 -0.71 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 1hgc n ALA 53 Cb 0.47 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1hgc n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1hgc h GLN 54 N 3.56 0.25 -0.30 0.00 4.15 -1.86 -0.10 115.11 120.81 1hgc h GLN 54 Ca 0.00 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1hgc h GLN 54 Cb 0.77 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1hgc h GLN 54 CO 0.00 0.86 -0.02 0.28 -1.93 0.00 0.00 178.83 178.02 1hgc h VAL 55 N -0.30 1.26 -0.57 2.39 2.07 -1.76 0.23 116.25 119.57 1hgc h VAL 55 Ca -0.02 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1hgc h VAL 55 Cb 0.91 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1hgc h VAL 55 CO 0.05 0.32 0.33 0.11 0.02 0.00 0.00 177.57 178.39 1hgc h LYS 56 N 0.32 0.79 -0.57 1.57 1.57 -1.46 0.30 116.57 119.09 1hgc h LYS 56 Ca 0.08 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1hgc h LYS 56 Cb 0.47 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1hgc h LYS 56 CO 0.02 0.59 0.25 0.78 -0.57 0.00 0.00 179.45 180.52 1hgc h GLY 57 N 0.77 0.89 1.32 3.86 0.00 -0.89 -1.95 103.07 107.07 1hgc h GLY 57 Ca 0.20 -0.46 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1hgc h GLY 57 CO -0.03 0.44 -0.53 0.84 0.00 0.00 0.00 176.54 177.25 1hgc h HIS 58 N 0.77 0.90 -0.36 5.60 -0.00 0.10 -3.12 115.15 119.04 1hgc h HIS 58 Ca 0.19 -0.31 0.05 0.00 -0.00 0.00 0.00 60.37 60.30 1hgc h HIS 58 Cb 0.15 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 1hgc h HIS 58 CO 0.00 1.09 0.10 0.78 -0.00 0.00 0.00 177.93 179.90 1hgc h GLY 59 N 0.89 0.44 1.00 5.26 0.00 -0.19 -1.56 103.07 108.90 1hgc h GLY 59 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1hgc h GLY 59 CO 0.11 -0.00 0.39 1.70 0.00 0.00 0.00 176.54 178.74 1hgc h LYS 60 N 0.23 0.81 -0.30 4.80 3.64 -1.38 -0.57 116.57 123.81 1hgc h LYS 60 Ca 0.17 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1hgc h LYS 60 Cb 0.17 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1hgc h LYS 60 CO -0.20 0.55 0.09 0.87 -2.27 0.00 0.00 179.45 178.49 1hgc h LYS 61 N 0.83 0.21 0.21 1.90 1.57 -1.35 0.37 116.57 120.31 1hgc h LYS 61 Ca 0.22 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1hgc h LYS 61 Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1hgc h LYS 61 CO -0.05 0.14 -0.16 0.28 -0.57 0.00 0.00 179.45 179.09 1hgc h VAL 62 N 0.21 0.66 -0.61 0.50 2.07 -1.00 -1.78 116.25 116.30 1hgc h VAL 62 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1hgc h VAL 62 Cb 0.12 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1hgc h VAL 62 CO -0.15 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.85 1hgc h ALA 63 N 0.39 1.95 0.00 1.67 0.00 -0.81 -1.19 119.26 121.27 1hgc h ALA 63 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1hgc h ALA 63 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1hgc h ALA 63 CO -0.00 -0.08 -0.69 -0.44 0.00 0.00 0.00 179.25 178.04 1hgc h ASP 64 N 0.47 0.00 -0.23 0.00 3.32 -0.29 -0.74 116.42 118.96 1hgc h ASP 64 Ca 0.28 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 1hgc h ASP 64 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1hgc h ASP 64 CO -0.08 0.69 -0.44 0.00 -1.72 0.00 0.00 179.24 177.68 1hgc h ALA 65 N 1.31 0.64 -0.33 3.45 0.00 -0.50 -1.36 119.26 122.47 1hgc h ALA 65 Ca -0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1hgc h ALA 65 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1hgc h ALA 65 CO 0.09 0.67 -0.27 -0.07 0.00 0.00 0.00 179.25 179.67 1hgc h LEU 66 N 0.63 0.81 -0.82 0.00 3.38 -1.07 -1.29 115.31 116.95 1hgc h LEU 66 Ca 0.04 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1hgc h LEU 66 Cb 1.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1hgc h LEU 66 CO 0.10 1.09 0.54 0.74 0.09 0.00 0.00 178.44 181.00 1hgc h THR 67 N 0.54 1.21 -0.33 0.22 2.02 -1.02 -1.04 112.91 114.51 1hgc h THR 67 Ca 0.06 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1hgc h THR 67 Cb 0.84 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1hgc h THR 67 CO 0.07 0.21 0.09 -1.13 0.37 0.00 0.00 175.52 175.13 1hgc h ASN 68 N 1.12 0.49 -0.63 4.18 -1.24 -1.16 -0.79 115.58 117.55 1hgc h ASN 68 Ca 0.30 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1hgc h ASN 68 Cb -0.12 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 1hgc h ASN 68 CO -0.06 0.58 0.39 0.00 -1.29 0.00 0.00 177.43 177.05 1hgc h ALA 69 N 0.92 0.80 0.13 1.57 0.00 -0.80 -1.50 119.26 120.39 1hgc h ALA 69 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1hgc h ALA 69 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1hgc h ALA 69 CO -0.00 0.27 -0.15 0.28 0.00 0.00 0.00 179.25 179.65 1hgc h VAL 70 N 0.85 0.67 -0.09 0.00 2.07 -1.09 0.11 116.25 118.77 1hgc h VAL 70 Ca 0.23 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.77 1hgc h VAL 70 Cb -0.04 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1hgc h VAL 70 CO -0.04 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.64 1hgc h ALA 71 N 0.52 1.74 -0.72 1.67 0.00 -0.61 -1.09 119.26 120.77 1hgc h ALA 71 Ca 0.01 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1hgc h ALA 71 Cb 0.30 0.01 -0.43 0.00 0.00 0.00 0.00 17.79 17.68 1hgc h ALA 71 CO -0.05 -0.14 -0.84 0.72 0.00 0.00 0.00 179.25 178.93 1hgc n HIS 72 N -3.94 2.61 -0.08 0.00 8.25 -0.61 -4.84 115.22 116.60 1hgc n HIS 72 Ca -0.01 -2.21 0.26 0.00 -0.26 0.00 0.00 57.72 55.50 1hgc n HIS 72 Cb 0.20 -0.33 0.71 0.00 1.12 0.00 0.00 29.99 31.69 1hgc n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1hgc h VAL 73 N 2.47 0.38 -0.08 1.59 3.04 0.37 0.33 116.25 124.36 1hgc h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1hgc h VAL 73 Cb 1.51 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1hgc h VAL 73 CO 0.71 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.74 1hgc n ASP 74 N -3.88 1.30 -2.70 3.17 8.00 -1.26 -4.28 116.55 116.89 1hgc n ASP 74 Ca 0.15 -1.53 -0.07 0.00 0.71 0.00 0.00 54.79 54.05 1hgc n ASP 74 Cb 0.92 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 42.08 1hgc n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hgc n ASP 75 N 0.04 -1.95 -0.19 -2.24 2.03 0.11 -5.01 116.55 109.34 1hgc n ASP 75 Ca 0.18 -2.68 -0.06 0.00 0.52 0.00 0.00 54.79 52.75 1hgc n ASP 75 Cb 0.30 1.22 0.11 0.00 -0.72 0.00 0.00 41.12 42.03 1hgc n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1hgc h MET 76 N 2.18 0.99 -0.79 -0.67 2.86 -1.62 -1.37 114.93 116.50 1hgc h MET 76 Ca -0.26 -0.24 0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1hgc h MET 76 Cb 1.25 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.72 1hgc h MET 76 CO -0.03 0.90 0.48 -1.35 1.06 0.00 0.00 176.91 177.96 1hgc h PRO 77 N 0.94 0.85 0.07 -0.22 0.11 -1.95 -1.40 132.00 130.40 1hgc h PRO 77 Ca 0.19 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 1hgc h PRO 77 Cb 0.38 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 31.32 1hgc h PRO 77 CO 0.01 0.56 -0.76 -0.91 -0.21 0.00 0.00 178.00 176.68 1hgc h ASN 78 N 0.87 0.55 -0.96 -2.05 4.21 -1.95 -2.36 115.58 113.89 1hgc h ASN 78 Ca 0.35 -0.84 0.12 0.00 1.21 0.00 0.00 56.30 57.14 1hgc h ASN 78 Cb 0.17 -0.17 -0.09 0.00 -1.12 0.00 0.00 38.32 37.11 1hgc h ASN 78 CO -0.17 1.34 0.58 0.00 -1.29 0.00 0.00 177.43 177.89 1hgc h ALA 79 N 0.22 1.45 -0.32 -0.83 0.00 -1.03 -2.97 119.26 115.77 1hgc h ALA 79 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hgc h ALA 79 Cb 1.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1hgc h ALA 79 CO 0.15 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1hgc n LEU 80 N -4.68 3.21 -0.28 0.00 4.77 -0.54 -4.71 117.00 114.77 1hgc n LEU 80 Ca 0.18 -2.29 0.15 0.00 -0.03 0.00 0.00 56.01 54.03 1hgc n LEU 80 Cb 0.37 -0.32 0.42 0.00 -2.33 0.00 0.00 43.42 41.56 1hgc n LEU 80 CO 0.26 0.71 1.22 0.77 -1.33 0.00 0.00 177.39 179.02 1hgc h SER 81 N 1.98 0.58 -0.59 -1.43 4.64 -1.25 0.37 113.55 117.84 1hgc h SER 81 Ca 0.00 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1hgc h SER 81 Cb 0.94 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1hgc h SER 81 CO 0.07 0.24 0.35 0.00 -0.87 0.00 0.00 176.83 176.62 1hgc h ALA 82 N 1.61 0.75 -0.04 5.18 0.00 -1.84 0.15 119.26 125.07 1hgc h ALA 82 Ca 0.49 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1hgc h ALA 82 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1hgc h ALA 82 CO -0.24 0.23 -0.36 1.25 0.00 0.00 0.00 179.25 180.13 1hgc h LEU 83 N 0.80 0.07 -0.04 0.00 5.85 -1.33 -1.63 115.31 119.03 1hgc h LEU 83 Ca 0.21 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 1hgc h LEU 83 Cb -0.02 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.01 1hgc h LEU 83 CO -0.04 0.43 -0.71 0.28 -0.34 0.00 0.00 178.44 178.06 1hgc h SER 84 N 0.06 0.69 -0.34 1.25 0.02 -0.73 -2.00 113.55 112.50 1hgc h SER 84 Ca 0.01 -0.72 0.08 0.00 -0.84 0.00 0.00 61.79 60.32 1hgc h SER 84 Cb 0.67 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.92 1hgc h SER 84 CO 0.05 1.31 -0.26 0.44 -1.14 0.00 0.00 176.83 177.23 1hgc h ASP 85 N 0.14 -0.85 0.14 3.07 3.32 -0.42 0.21 116.42 122.03 1hgc h ASP 85 Ca -0.08 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1hgc h ASP 85 Cb 1.39 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 1hgc h ASP 85 CO 0.14 -0.28 -0.15 0.25 -1.72 0.00 0.00 179.24 177.48 1hgc h LEU 86 N -0.22 -0.40 -0.37 1.55 5.85 -1.32 0.03 115.31 120.44 1hgc h LEU 86 Ca 0.17 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1hgc h LEU 86 Cb 0.48 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1hgc h LEU 86 CO -0.47 -0.23 -0.09 0.45 -0.34 0.00 0.00 178.44 177.77 1hgc h HIS 87 N -0.32 0.79 -0.01 1.25 3.86 -1.12 0.13 115.15 119.74 1hgc h HIS 87 Ca 0.01 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1hgc h HIS 87 Cb 0.31 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1hgc h HIS 87 CO -0.14 0.85 0.00 0.00 0.86 0.00 0.00 177.93 179.51 1hgc h ALA 88 N 0.83 0.01 0.00 2.45 0.00 -0.53 0.62 119.26 122.64 1hgc h ALA 88 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1hgc h ALA 88 Cb 0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1hgc h ALA 88 CO 0.04 -0.50 -2.11 0.72 0.00 0.00 0.00 179.25 177.40 1hgc n HIS 89 N -5.09 0.00 -0.03 0.00 8.25 -0.01 -4.35 115.22 114.00 1hgc n HIS 89 Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 1hgc n HIS 89 Cb 0.03 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.44 1hgc n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hgc n LYS 90 N -2.44 0.25 -0.13 -0.41 4.76 0.34 -4.76 118.16 115.76 1hgc n LYS 90 Ca -0.17 0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 1hgc n LYS 90 Cb 0.81 -0.88 0.04 0.00 -1.84 0.00 0.00 35.03 33.16 1hgc n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hgc h LEU 91 N -0.46 0.92 -3.29 -0.35 3.38 -1.32 -3.48 115.31 110.71 1hgc h LEU 91 Ca 0.00 -0.34 -0.49 0.00 0.09 0.00 0.00 57.88 57.14 1hgc h LEU 91 Cb 0.46 -0.25 0.04 0.00 0.09 0.00 0.00 40.66 41.00 1hgc h LEU 91 CO 0.00 1.10 -0.96 0.54 0.09 0.00 0.00 178.44 179.21 1hgc n ARG 92 N -4.11 -1.11 -2.66 1.13 1.74 0.22 -4.92 116.66 106.95 1hgc n ARG 92 Ca 0.00 0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 1hgc n ARG 92 Cb 0.44 -3.68 -0.03 0.00 -1.02 0.00 0.00 32.46 28.18 1hgc n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hgc s VAL 93 N -3.54 4.74 0.18 1.55 1.01 -1.24 -4.98 120.40 118.11 1hgc s VAL 93 Ca 0.43 1.98 -0.32 0.00 0.00 0.00 0.00 61.98 64.07 1hgc s VAL 93 Cb -0.18 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1hgc s VAL 93 CO 0.90 0.08 1.72 -0.67 0.00 0.00 0.00 175.10 177.13 1hgc n ASP 94 N 4.47 3.84 -0.38 3.32 -0.08 -1.26 -4.80 116.55 121.66 1hgc n ASP 94 Ca 0.08 1.05 0.29 0.00 -1.51 0.00 0.00 54.79 54.70 1hgc n ASP 94 Cb 0.49 -1.54 0.57 0.00 2.34 0.00 0.00 41.12 42.98 1hgc n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hgc h PRO 95 N 6.98 0.24 -0.31 -0.67 0.11 -1.99 0.66 132.00 137.01 1hgc h PRO 95 Ca -0.44 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1hgc h PRO 95 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hgc h PRO 95 CO 0.94 0.16 0.23 -0.24 -0.21 0.00 0.00 178.00 178.88 1hgc h VAL 96 N 0.24 0.80 0.00 3.15 3.04 -2.02 -1.50 116.25 119.96 1hgc h VAL 96 Ca 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.41 1hgc h VAL 96 Cb 2.00 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1hgc h VAL 96 CO -0.40 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 176.94 1hgc h ASN 97 N 0.00 0.00 -0.28 3.17 4.21 0.00 -2.91 115.58 119.78 1hgc h ASN 97 Ca 0.15 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.59 1hgc h ASN 97 Cb 0.60 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 1hgc h ASN 97 CO -0.00 0.00 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.84 1hgc h PHE 98 N 0.00 0.67 -0.29 1.19 -1.00 -1.41 -2.31 116.94 113.79 1hgc h PHE 98 Ca 0.00 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 1hgc h PHE 98 Cb 0.49 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1hgc h PHE 98 CO 0.00 0.66 -0.27 0.87 -1.61 0.00 0.00 178.31 177.96 1hgc h LYS 99 N 0.59 0.57 -0.03 1.51 6.56 -1.64 -1.85 116.57 122.29 1hgc h LYS 99 Ca 0.12 -0.23 -0.18 0.00 -1.06 0.00 0.00 60.65 59.29 1hgc h LYS 99 Cb 0.43 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1hgc h LYS 99 CO 0.02 0.79 -0.69 -0.07 -2.06 0.00 0.00 179.45 177.44 1hgc h LEU 100 N 0.50 0.65 -0.27 2.94 3.38 -1.57 -2.89 115.31 118.04 1hgc h LEU 100 Ca 0.07 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1hgc h LEU 100 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1hgc h LEU 100 CO 0.06 1.29 0.01 0.25 0.09 0.00 0.00 178.44 180.14 1hgc h LEU 101 N 0.08 0.46 -0.80 1.67 5.85 -1.43 -2.73 115.31 118.41 1hgc h LEU 101 Ca -0.08 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.49 1hgc h LEU 101 Cb 1.37 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 1hgc h LEU 101 CO 0.14 0.65 0.37 0.28 -0.34 0.00 0.00 178.44 179.53 1hgc h SER 102 N 0.27 0.40 -0.63 1.25 0.02 -1.40 -0.91 113.55 112.55 1hgc h SER 102 Ca 0.08 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1hgc h SER 102 Cb 0.40 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1hgc h SER 102 CO 0.01 0.16 0.23 -0.74 -1.14 0.00 0.00 176.83 175.35 1hgc h HIS 103 N 0.53 0.98 -0.06 3.45 -0.00 -1.38 -1.76 115.15 116.92 1hgc h HIS 103 Ca 0.44 -0.08 -0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1hgc h HIS 103 Cb 0.65 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1hgc h HIS 103 CO -0.13 0.79 -0.32 0.00 -0.00 0.00 0.00 177.93 178.27 1hgc h LEU 105 N 0.10 0.66 -0.34 0.00 5.85 -0.98 -0.03 115.31 120.57 1hgc h LEU 105 Ca 0.01 -0.44 -0.19 0.00 0.84 0.00 0.00 57.88 58.10 1hgc h LEU 105 Cb 0.62 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1hgc h LEU 105 CO 0.05 1.21 -0.69 0.25 -0.34 0.00 0.00 178.44 178.92 1hgc h LEU 106 N 0.37 0.72 -0.09 2.25 5.85 -0.71 -0.97 115.31 122.73 1hgc h LEU 106 Ca -0.04 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1hgc h LEU 106 Cb 1.37 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1hgc h LEU 106 CO 0.14 1.20 -0.00 0.58 -0.34 0.00 0.00 178.44 180.02 1hgc h VAL 107 N 0.44 1.26 -0.05 1.05 2.07 -0.73 -1.85 116.25 118.44 1hgc h VAL 107 Ca -0.02 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1hgc h VAL 107 Cb 1.28 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1hgc h VAL 107 CO 0.13 0.23 -0.16 0.74 0.02 0.00 0.00 177.57 178.53 1hgc h THR 108 N -0.12 0.59 -0.88 2.57 2.02 -0.92 -1.56 112.91 114.62 1hgc h THR 108 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1hgc h THR 108 Cb 0.36 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1hgc h THR 108 CO 0.01 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 176.39 1hgc h LEU 109 N -0.24 1.02 -1.05 2.58 3.38 -1.16 -1.56 115.31 118.28 1hgc h LEU 109 Ca 0.07 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1hgc h LEU 109 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1hgc h LEU 109 CO -0.19 0.76 -0.39 0.00 0.09 0.00 0.00 178.44 178.71 1hgc h ALA 110 N 1.43 1.08 0.00 1.53 0.00 -0.98 -0.43 119.26 121.89 1hgc h ALA 110 Ca 0.32 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1hgc h ALA 110 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1hgc h ALA 110 CO -0.07 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.15 1hgc h ALA 111 N 1.61 0.70 0.00 0.00 0.00 -0.32 -3.35 119.26 117.90 1hgc h ALA 111 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1hgc h ALA 111 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1hgc h ALA 111 CO 0.05 0.66 -1.93 0.72 0.00 0.00 0.00 179.25 178.75 1hgc n HIS 112 N -3.29 0.00 -2.64 0.00 8.25 -0.85 -4.70 115.22 112.00 1hgc n HIS 112 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.20 1hgc n HIS 112 Cb 0.71 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1hgc n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hgc n LEU 113 N -2.26 4.74 -0.36 2.41 4.77 -0.19 -4.93 117.00 121.18 1hgc n LEU 113 Ca -0.09 -5.39 0.05 0.00 -0.03 0.00 0.00 56.01 50.55 1hgc n LEU 113 Cb 0.62 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1hgc n LEU 113 CO 0.38 2.27 0.64 -2.65 -1.33 0.00 0.00 177.39 176.70 1hgc n PRO 114 N -0.39 -0.12 -0.00 3.23 -0.01 -1.26 -1.38 135.00 135.07 1hgc n PRO 114 Ca 0.37 1.55 -0.09 0.00 -0.01 0.00 0.00 63.50 65.31 1hgc n PRO 114 Cb 0.54 -2.31 0.06 0.00 -0.01 0.00 0.00 33.50 31.79 1hgc n PRO 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hgc h ALA 115 N 1.86 0.72 -0.01 3.55 0.00 -1.92 -3.25 119.26 120.21 1hgc h ALA 115 Ca 0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hgc h ALA 115 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hgc h ALA 115 CO -1.02 0.68 -0.35 -0.85 0.00 0.00 0.00 179.25 177.71 1hgc n GLU 116 N -3.98 0.70 -2.85 0.00 0.00 -0.69 -4.66 120.64 109.16 1hgc n GLU 116 Ca -0.03 -0.44 -0.43 0.00 0.00 0.00 0.00 57.16 56.26 1hgc n GLU 116 Cb 0.58 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.54 1hgc n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1hgc n PHE 117 N -0.77 2.68 -2.15 -1.84 7.35 -0.48 -4.71 117.46 117.55 1hgc n PHE 117 Ca 0.10 -2.73 -0.30 0.00 -0.76 0.00 0.00 57.45 53.76 1hgc n PHE 117 Cb 0.36 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.70 1hgc n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1hgc s THR 118 N -1.77 4.75 0.15 -2.13 2.01 -1.26 -4.79 115.64 112.60 1hgc s THR 118 Ca 0.34 0.71 -0.20 0.00 0.31 0.00 0.00 61.69 62.85 1hgc s THR 118 Cb 0.05 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1hgc s THR 118 CO 0.07 -1.01 1.67 -0.65 -0.69 0.00 0.00 174.62 174.01 1hgc h PRO 119 N -0.02 -0.08 -0.12 4.92 0.11 -1.98 0.84 132.00 135.68 1hgc h PRO 119 Ca -0.45 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1hgc h PRO 119 Cb 1.19 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1hgc h PRO 119 CO 0.62 -0.05 -0.10 0.00 -0.21 0.00 0.00 178.00 178.25 1hgc h ALA 120 N 1.15 -0.02 -0.44 -0.75 0.00 -1.97 0.34 119.26 117.58 1hgc h ALA 120 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1hgc h ALA 120 Cb 0.29 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hgc h ALA 120 CO -0.33 -0.56 0.03 0.28 0.00 0.00 0.00 179.25 178.68 1hgc h VAL 121 N -0.12 1.25 -0.37 0.00 2.07 -1.54 -2.49 116.25 115.05 1hgc h VAL 121 Ca 0.08 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1hgc h VAL 121 Cb 0.24 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1hgc h VAL 121 CO -0.19 0.34 -0.04 -0.74 0.02 0.00 0.00 177.57 176.96 1hgc h HIS 122 N 0.60 -0.09 -0.25 1.57 6.17 0.95 -0.38 115.15 123.73 1hgc h HIS 122 Ca 0.13 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.27 1hgc h HIS 122 Cb 0.44 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.44 1hgc h HIS 122 CO 0.03 -0.11 0.06 0.00 0.71 0.00 0.00 177.93 178.63 1hgc h ALA 123 N 1.34 0.26 -0.18 5.26 0.00 -0.82 -0.46 119.26 124.67 1hgc h ALA 123 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1hgc h ALA 123 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hgc h ALA 123 CO -0.34 -0.35 0.11 0.77 0.00 0.00 0.00 179.25 179.44 1hgc h SER 124 N 0.17 0.21 -0.39 0.00 0.02 -0.98 -1.90 113.55 110.68 1hgc h SER 124 Ca 0.11 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1hgc h SER 124 Cb 0.10 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1hgc h SER 124 CO -0.13 0.18 0.15 -0.07 -1.14 0.00 0.00 176.83 175.82 1hgc h LEU 125 N 0.22 0.54 -0.43 5.07 3.38 -0.92 0.14 115.31 123.31 1hgc h LEU 125 Ca 0.06 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1hgc h LEU 125 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1hgc h LEU 125 CO -0.01 0.57 0.20 -0.78 0.09 0.00 0.00 178.44 178.51 1hgc h ASP 126 N 0.48 0.28 -0.49 -0.43 3.58 -0.86 -0.38 116.42 118.60 1hgc h ASP 126 Ca 0.13 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 1hgc h ASP 126 Cb 0.21 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1hgc h ASP 126 CO -0.01 0.21 0.02 0.11 -2.88 0.00 0.00 179.24 176.69 1hgc h LYS 127 N 0.41 0.85 -0.03 0.28 1.57 -1.14 -2.16 116.57 116.35 1hgc h LYS 127 Ca 0.19 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1hgc h LYS 127 Cb 0.11 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1hgc h LYS 127 CO -0.14 0.88 -0.28 0.35 -0.57 0.00 0.00 179.45 179.69 1hgc h PHE 128 N 0.71 -0.77 -0.32 -1.35 3.57 -0.03 -0.88 116.94 117.87 1hgc h PHE 128 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1hgc h PHE 128 Cb 0.48 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1hgc h PHE 128 CO 0.04 -0.37 0.16 -0.07 -2.23 0.00 0.00 178.31 175.83 1hgc h LEU 129 N -0.41 0.39 -0.64 0.59 3.38 -1.01 -0.66 115.31 116.94 1hgc h LEU 129 Ca 0.07 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1hgc h LEU 129 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1hgc h LEU 129 CO -0.26 0.34 -0.65 0.00 0.09 0.00 0.00 178.44 177.95 1hgc h ALA 130 N 1.73 0.87 0.04 1.53 0.00 -0.79 -0.91 119.26 121.72 1hgc h ALA 130 Ca 0.11 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1hgc h ALA 130 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hgc h ALA 130 CO -0.02 0.82 -1.03 0.66 0.00 0.00 0.00 179.25 179.68 1hgc h SER 131 N 0.00 0.50 -0.13 0.00 4.64 -0.21 -1.06 113.55 117.29 1hgc h SER 131 Ca -0.01 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1hgc h SER 131 Cb 1.19 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1hgc h SER 131 CO 0.08 1.26 0.07 0.58 -0.87 0.00 0.00 176.83 177.96 1hgc h VAL 132 N 0.18 1.01 -0.42 0.95 2.07 -1.02 -1.15 116.25 117.88 1hgc h VAL 132 Ca -0.10 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1hgc h VAL 132 Cb 1.69 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1hgc h VAL 132 CO 0.17 0.03 0.16 0.28 0.02 0.00 0.00 177.57 178.24 1hgc h SER 133 N 0.15 0.54 -0.39 0.57 0.02 -1.11 -1.77 113.55 111.56 1hgc h SER 133 Ca 0.05 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1hgc h SER 133 Cb -0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1hgc h SER 133 CO -0.03 0.50 -0.15 0.74 -1.14 0.00 0.00 176.83 176.75 1hgc h THR 134 N 0.60 1.28 -0.07 -2.27 2.02 -0.83 -2.56 112.91 111.08 1hgc h THR 134 Ca 0.15 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1hgc h THR 134 Cb 0.13 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1hgc h THR 134 CO -0.01 0.42 0.03 0.58 0.37 0.00 0.00 175.52 176.91 1hgc h VAL 135 N 0.60 1.15 0.00 3.16 2.07 -0.83 -2.68 116.25 119.72 1hgc h VAL 135 Ca 0.09 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1hgc h VAL 135 Cb 0.70 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1hgc h VAL 135 CO 0.05 0.13 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1hgc h LEU 136 N -0.05 0.00 -2.54 2.57 3.38 -1.28 -2.75 115.31 114.63 1hgc h LEU 136 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1hgc h LEU 136 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hgc h LEU 136 CO -0.00 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1hgc n THR 137 N -3.74 0.77 0.30 0.22 -2.24 -0.97 -4.35 114.28 104.27 1hgc n THR 137 Ca -0.03 -0.88 0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1hgc n THR 137 Cb 0.13 0.67 0.88 0.00 -2.10 0.00 0.00 70.33 69.91 1hgc n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hgc h SER 138 N 1.99 0.00 -0.25 3.42 4.64 -1.16 -2.88 113.55 119.32 1hgc h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hgc h SER 138 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1hgc h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1hgc n LYS 139 N -3.02 2.80 -0.02 4.77 5.02 -1.26 -4.63 118.16 121.81 1hgc n LYS 139 Ca -0.01 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 1hgc n LYS 139 Cb 0.20 -1.75 0.30 0.00 -0.02 0.00 0.00 35.03 33.76 1hgc n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hgc h TYR 140 N 1.67 0.58 0.00 2.13 -1.99 -1.82 -3.45 116.97 114.10 1hgc h TYR 140 Ca 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1hgc h TYR 140 Cb 1.32 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.88 1hgc h TYR 140 CO 0.43 0.53 0.00 2.89 -0.00 0.00 0.00 178.16 182.01