#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 4.12 0.69 6.55 1.43 -1.26 -5.03 118.68 125.18 1hgc s LEU 2 Ca 0.00 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1hgc s LEU 2 Cb 0.00 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.70 1hgc s LEU 2 CO 0.00 -0.68 1.05 -0.94 0.23 0.00 0.00 176.35 176.01 1hgc s SER 3 N 1.35 5.32 0.52 2.29 1.04 -1.26 -4.83 113.70 118.13 1hgc s SER 3 Ca 0.46 0.93 0.19 0.00 0.48 0.00 0.00 55.95 58.02 1hgc s SER 3 Cb -0.16 -1.73 1.35 0.00 0.10 0.00 0.00 66.02 65.58 1hgc s SER 3 CO 0.08 -1.36 2.14 -0.65 0.98 0.00 0.00 173.24 174.43 1hgc h PRO 4 N -0.58 0.00 -0.23 4.02 0.11 -1.99 -0.14 132.00 133.19 1hgc h PRO 4 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1hgc h PRO 4 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1hgc h PRO 4 CO 0.63 0.04 -0.46 0.00 -0.21 0.00 0.00 178.00 178.00 1hgc h ALA 5 N 1.96 0.37 0.56 -0.75 0.00 -1.99 -1.87 119.26 117.54 1hgc h ALA 5 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1hgc h ALA 5 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hgc h ALA 5 CO 0.01 0.52 -0.27 -0.44 0.00 0.00 0.00 179.25 179.06 1hgc h ASP 6 N 0.44 -0.64 -0.71 0.00 3.32 -1.74 0.50 116.42 117.59 1hgc h ASP 6 Ca 0.01 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1hgc h ASP 6 Cb 1.07 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 1hgc h ASP 6 CO 0.10 -0.45 0.38 0.11 -1.72 0.00 0.00 179.24 177.66 1hgc h LYS 7 N -0.76 0.64 -0.21 3.56 1.57 -1.09 0.22 116.57 120.49 1hgc h LYS 7 Ca -0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1hgc h LYS 7 Cb 0.58 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1hgc h LYS 7 CO 0.13 0.42 0.11 1.15 -0.57 0.00 0.00 179.45 180.69 1hgc h THR 8 N 0.66 1.11 -0.88 -0.16 2.02 -1.24 0.16 112.91 114.58 1hgc h THR 8 Ca 0.34 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1hgc h THR 8 Cb 0.31 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1hgc h THR 8 CO -0.24 0.11 0.58 0.78 0.37 0.00 0.00 175.52 177.13 1hgc h ASN 9 N 0.23 1.01 -0.17 4.18 2.35 -0.12 -1.20 115.58 121.86 1hgc h ASN 9 Ca 0.07 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.60 1hgc h ASN 9 Cb 0.08 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1hgc h ASN 9 CO -0.01 0.72 -0.66 -0.37 -1.65 0.00 0.00 177.43 175.46 1hgc h VAL 10 N 1.19 1.28 -0.94 2.81 -1.51 -0.31 -1.72 116.25 117.04 1hgc h VAL 10 Ca 0.33 -1.87 0.10 0.00 -1.23 0.00 0.00 66.70 64.03 1hgc h VAL 10 Cb -0.13 1.82 -0.08 0.00 -2.13 0.00 0.00 31.29 30.78 1hgc h VAL 10 CO -0.07 0.60 0.58 0.11 -1.23 0.00 0.00 177.57 177.55 1hgc h LYS 11 N 0.58 0.93 0.00 5.19 1.57 -0.30 -0.97 116.57 123.57 1hgc h LYS 11 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hgc h LYS 11 Cb 1.28 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1hgc h LYS 11 CO 0.14 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 1hgc n ALA 12 N -2.36 -0.45 -0.24 3.86 0.00 -0.49 -0.76 120.51 120.07 1hgc n ALA 12 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1hgc n ALA 12 Cb 0.30 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.84 1hgc n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hgc h ALA 13 N -2.00 0.50 -0.66 0.00 0.00 -1.23 -1.40 119.26 114.48 1hgc h ALA 13 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1hgc h ALA 13 Cb 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1hgc h ALA 13 CO 0.00 -0.42 0.27 2.35 0.00 0.00 0.00 179.25 181.45 1hgc h TRP 14 N 0.01 1.00 -0.65 0.00 2.91 -1.22 -2.47 115.95 115.54 1hgc h TRP 14 Ca 0.35 -0.07 0.07 0.00 1.13 0.00 0.00 58.89 60.36 1hgc h TRP 14 Cb 0.54 -0.30 -0.06 0.00 -0.51 0.00 0.00 29.16 28.83 1hgc h TRP 14 CO -0.55 0.78 0.33 0.78 -1.03 0.00 0.00 178.44 178.75 1hgc h GLY 15 N 0.93 0.95 2.00 2.65 0.00 0.16 -0.41 103.07 109.34 1hgc h GLY 15 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hgc h GLY 15 CO -0.02 0.10 0.00 0.50 0.00 0.00 0.00 176.54 177.12 1hgc h LYS 16 N 0.60 0.00 -0.09 4.80 1.79 -1.01 -1.29 116.57 121.37 1hgc h LYS 16 Ca 0.30 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.60 1hgc h LYS 16 Cb 0.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1hgc h LYS 16 CO -0.22 0.00 -0.63 0.28 -1.08 0.00 0.00 179.45 177.80 1hgc h VAL 17 N 0.00 1.34 0.00 0.50 2.07 -0.88 -3.45 116.25 115.83 1hgc h VAL 17 Ca 0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1hgc h VAL 17 Cb 0.15 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1hgc h VAL 17 CO 0.00 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.79 1hgc n GLY 18 N 0.79 1.52 0.30 2.17 0.00 -0.49 -0.26 105.19 109.23 1hgc n GLY 18 Ca -0.08 0.64 0.17 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.11 1.35 -0.02 4.61 0.00 -1.87 -3.06 119.26 120.16 1hgc h ALA 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hgc h ALA 19 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hgc h ALA 19 CO 0.00 0.02 -0.16 0.72 0.00 0.00 0.00 179.25 179.83 1hgc n HIS 20 N -3.62 0.00 -0.36 0.00 8.25 0.64 -4.53 115.22 115.61 1hgc n HIS 20 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1hgc n HIS 20 Cb 0.10 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 0.54 -0.17 0.07 -1.41 0.00 -1.16 0.60 120.51 118.99 1hgc n ALA 21 Ca 0.13 0.90 -0.12 0.00 0.00 0.00 0.00 53.44 54.35 1hgc n ALA 21 Cb 0.49 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.50 0.23 0.00 0.00 -1.85 0.90 103.07 101.86 1hgc h GLY 22 Ca 0.30 0.36 0.12 0.00 0.00 0.00 0.00 47.33 48.11 1hgc h GLY 22 CO -0.91 -0.23 0.28 0.83 0.00 0.00 0.00 176.54 176.51 1hgc h GLU 23 N -0.46 0.43 -0.30 4.80 3.07 -0.17 -1.22 114.58 120.72 1hgc h GLU 23 Ca 0.06 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 1hgc h GLU 23 Cb 0.54 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1hgc h GLU 23 CO -0.24 0.28 -0.48 1.88 -1.40 0.00 0.00 179.01 179.05 1hgc h TYR 24 N 0.44 1.02 -0.02 4.33 0.05 0.12 -2.37 116.97 120.55 1hgc h TYR 24 Ca 0.38 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1hgc h TYR 24 Cb 0.54 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1hgc h TYR 24 CO -0.17 1.14 -0.04 0.78 -1.05 0.00 0.00 178.16 178.83 1hgc h GLY 25 N 0.81 -0.02 1.31 3.88 0.00 0.15 -1.26 103.07 107.94 1hgc h GLY 25 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1hgc h GLY 25 CO 0.11 -0.05 0.15 0.00 0.00 0.00 0.00 176.54 176.75 1hgc h ALA 26 N 0.96 1.19 -0.23 3.60 0.00 -1.26 -2.09 119.26 121.43 1hgc h ALA 26 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1hgc h ALA 26 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hgc h ALA 26 CO -0.06 0.56 -0.33 1.49 0.00 0.00 0.00 179.25 180.91 1hgc h GLU 27 N 0.84 0.48 -0.24 0.00 4.81 -0.97 -1.54 114.58 117.95 1hgc h GLU 27 Ca 0.19 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1hgc h GLU 27 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1hgc h GLU 27 CO -0.00 0.75 0.10 0.00 -0.73 0.00 0.00 179.01 179.13 1hgc h ALA 28 N 1.24 0.31 -0.49 2.92 0.00 -0.99 0.11 119.26 122.36 1hgc h ALA 28 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1hgc h ALA 28 Cb 0.77 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1hgc h ALA 28 CO 0.06 -0.10 0.30 -0.07 0.00 0.00 0.00 179.25 179.45 1hgc h LEU 29 N 0.24 0.51 -0.95 0.00 3.38 -1.21 -1.07 115.31 116.21 1hgc h LEU 29 Ca 0.08 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1hgc h LEU 29 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1hgc h LEU 29 CO -0.01 0.36 -0.04 -0.08 0.09 0.00 0.00 178.44 178.77 1hgc h GLU 30 N 0.61 0.72 -0.24 1.13 4.81 -0.97 -0.94 114.58 119.70 1hgc h GLU 30 Ca 0.19 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1hgc h GLU 30 Cb -0.02 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1hgc h GLU 30 CO -0.07 0.76 -0.52 0.00 -0.73 0.00 0.00 179.01 178.45 1hgc h ARG 31 N 0.67 0.69 -0.40 1.92 3.08 -0.63 -3.05 114.38 116.67 1hgc h ARG 31 Ca 0.13 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1hgc h ARG 31 Cb 0.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1hgc h ARG 31 CO 0.02 1.04 -0.00 1.98 -1.07 0.00 0.00 179.97 181.94 1hgc h MET 32 N 0.54 0.70 -0.81 0.04 4.05 -0.84 -0.29 114.93 118.32 1hgc h MET 32 Ca 0.02 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1hgc h MET 32 Cb 1.08 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 1hgc h MET 32 CO 0.11 0.79 0.53 0.74 0.23 0.00 0.00 176.91 179.31 1hgc h PHE 33 N 0.52 1.03 0.17 1.39 0.04 -1.22 1.29 116.94 120.16 1hgc h PHE 33 Ca 0.11 0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.57 1hgc h PHE 33 Cb 0.47 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.29 1hgc h PHE 33 CO 0.04 0.66 -1.62 -0.07 -0.60 0.00 0.00 178.31 176.72 1hgc h LEU 34 N 1.11 0.57 0.21 1.54 3.38 -1.51 -3.12 115.31 117.49 1hgc h LEU 34 Ca 0.30 -0.78 -0.32 0.00 0.09 0.00 0.00 57.88 57.18 1hgc h LEU 34 Cb -0.11 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.48 1hgc h LEU 34 CO -0.06 1.64 -1.40 0.28 0.09 0.00 0.00 178.44 178.99 1hgc h SER 35 N 0.10 0.72 -2.69 -0.43 0.02 -0.94 -3.39 113.55 106.94 1hgc h SER 35 Ca -0.29 -0.76 -0.60 0.00 -0.84 0.00 0.00 61.79 59.30 1hgc h SER 35 Cb 2.08 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 63.99 1hgc h SER 35 CO 0.19 1.60 -0.77 0.49 -1.14 0.00 0.00 176.83 177.19 1hgc n PHE 36 N -3.66 1.27 0.21 3.45 3.72 0.44 -4.98 117.46 117.92 1hgc n PHE 36 Ca -0.14 -3.83 0.14 0.00 -0.05 0.00 0.00 57.45 53.56 1hgc n PHE 36 Cb 1.08 -0.22 0.72 0.00 -0.94 0.00 0.00 39.48 40.12 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 5.39 0.00 0.00 -1.08 0.13 -1.68 -0.71 132.00 134.05 1hgc h PRO 37 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.29 1hgc h PRO 37 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1hgc h PRO 37 CO 0.56 0.00 -0.19 1.79 -0.23 0.00 0.00 178.00 179.93 1hgc h THR 38 N 0.00 0.47 0.00 1.56 1.35 -1.90 -2.53 112.91 111.87 1hgc h THR 38 Ca 0.00 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 1hgc h THR 38 Cb 0.01 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1hgc h THR 38 CO 0.00 0.18 -0.09 0.71 -0.25 0.00 0.00 175.52 176.07 1hgc h THR 39 N 0.00 0.32 0.00 6.82 1.35 -1.44 -2.76 112.91 117.20 1hgc h THR 39 Ca -0.00 -0.60 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1hgc h THR 39 Cb 0.70 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1hgc h THR 39 CO 0.02 0.09 -0.01 0.11 -0.25 0.00 0.00 175.52 175.48 1hgc h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.62 -2.96 116.57 118.28 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1hgc h LYS 40 CO 0.01 0.01 0.08 1.79 -0.57 0.00 0.00 179.45 180.77 1hgc h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.68 -0.92 112.91 111.49 1hgc h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1hgc h THR 41 Cb 0.30 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1hgc h THR 41 CO 0.00 0.00 -0.65 -1.22 -0.25 0.00 0.00 175.52 173.41 1hgc n TYR 42 N -2.95 0.09 -2.53 4.73 4.01 -1.12 -4.35 117.16 115.04 1hgc n TYR 42 Ca -0.03 0.03 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1hgc n TYR 42 Cb 0.14 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.62 2.18 0.30 -0.72 3.01 -0.35 -4.87 117.46 115.38 1hgc n PHE 43 Ca 0.05 -2.71 0.19 0.00 1.01 0.00 0.00 57.45 55.99 1hgc n PHE 43 Cb 0.36 -0.25 0.87 0.00 -0.01 0.00 0.00 39.48 40.45 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 2.67 0.00 -0.21 -1.08 0.13 -1.76 -1.61 132.00 130.14 1hgc h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1hgc h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1hgc h PRO 44 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1hgc n HIS 45 N -3.02 0.27 -3.99 1.56 1.44 -1.26 -4.90 115.22 105.32 1hgc n HIS 45 Ca -0.01 -0.13 -0.30 0.00 -2.01 0.00 0.00 57.72 55.27 1hgc n HIS 45 Cb 0.21 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.73 3.35 -0.10 -1.40 0.40 -0.61 -5.05 117.98 112.84 1hgc s PHE 46 Ca 0.35 0.14 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 1hgc s PHE 46 Cb 0.21 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1hgc s PHE 46 CO 0.30 0.55 0.81 0.34 0.70 0.00 0.00 175.22 177.92 1hgc s ASP 47 N -2.58 7.05 0.00 1.36 2.15 -1.26 -4.90 116.67 118.50 1hgc s ASP 47 Ca 0.32 1.28 0.18 0.00 0.43 0.00 0.00 52.55 54.77 1hgc s ASP 47 Cb -0.12 -2.46 0.40 0.00 -0.30 0.00 0.00 42.92 40.43 1hgc s ASP 47 CO 0.25 -0.27 1.32 0.18 -0.17 0.00 0.00 175.17 176.49 1hgc n LEU 48 N 4.43 3.25 -4.68 -1.34 4.77 -1.26 -4.49 117.00 117.68 1hgc n LEU 48 Ca 0.03 -1.67 -0.31 0.00 -0.03 0.00 0.00 56.01 54.03 1hgc n LEU 48 Cb 0.50 -0.26 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1hgc n LEU 48 CO 0.49 0.75 0.68 -0.94 -1.33 0.00 0.00 177.39 177.03 1hgc s SER 49 N -1.20 3.08 0.16 -1.43 1.04 -1.26 -4.85 113.70 109.24 1hgc s SER 49 Ca 0.34 2.10 -0.32 0.00 0.48 0.00 0.00 55.95 58.55 1hgc s SER 49 Cb 0.19 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.66 1hgc s SER 49 CO 0.26 -2.99 1.65 -2.28 0.98 0.00 0.00 173.24 170.85 1hgc s HIS 50 N -2.68 2.86 -0.57 5.02 2.46 -1.26 -1.26 115.29 119.86 1hgc s HIS 50 Ca 0.66 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.64 1hgc s HIS 50 Cb -0.22 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 1hgc s HIS 50 CO 0.58 -3.86 0.00 0.41 -2.47 0.00 0.00 174.74 169.40 1hgc n GLY 51 N 3.89 0.44 3.75 1.59 0.00 -1.26 -4.99 105.19 108.61 1hgc n GLY 51 Ca 0.15 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1hgc n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hgc s SER 52 N -2.82 4.89 0.15 1.61 1.04 -0.39 -4.92 113.70 113.25 1hgc s SER 52 Ca 0.00 2.19 0.10 0.00 0.48 0.00 0.00 55.95 58.72 1hgc s SER 52 Cb 0.00 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.40 1hgc s SER 52 CO 0.00 -1.79 1.27 0.00 0.98 0.00 0.00 173.24 173.70 1hgc h ALA 53 N 0.18 0.46 0.41 5.32 0.00 -1.89 -2.23 119.26 121.51 1hgc h ALA 53 Ca -0.48 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 53.57 1hgc h ALA 53 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hgc h ALA 53 CO 0.53 1.12 -0.20 1.96 0.00 0.00 0.00 179.25 182.66 1hgc h GLN 54 N 0.00 -0.53 -0.15 0.00 4.20 -1.91 1.09 115.11 117.80 1hgc h GLN 54 Ca -0.03 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1hgc h GLN 54 Cb 1.69 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 29.54 1hgc h GLN 54 CO 0.11 -0.23 -0.15 0.28 -0.67 0.00 0.00 178.83 178.18 1hgc h VAL 55 N -0.83 0.59 0.15 -0.54 2.07 -1.79 1.16 116.25 117.07 1hgc h VAL 55 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1hgc h VAL 55 Cb 0.54 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1hgc h VAL 55 CO 0.09 0.00 -0.41 0.11 0.02 0.00 0.00 177.57 177.38 1hgc h LYS 56 N -0.17 -0.64 -0.52 1.57 1.57 -1.32 0.43 116.57 117.49 1hgc h LYS 56 Ca 0.10 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1hgc h LYS 56 Cb 0.32 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1hgc h LYS 56 CO -0.26 -0.43 0.29 0.78 -0.57 0.00 0.00 179.45 179.27 1hgc h GLY 57 N -0.66 0.73 1.21 3.86 0.00 0.20 -2.07 103.07 106.34 1hgc h GLY 57 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1hgc h GLY 57 CO -0.22 0.17 0.49 0.84 0.00 0.00 0.00 176.54 177.82 1hgc h HIS 58 N 0.58 1.01 -0.25 5.60 -0.00 0.21 -2.50 115.15 119.79 1hgc h HIS 58 Ca 0.22 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.65 1hgc h HIS 58 Cb 0.06 -0.34 -0.06 0.00 -0.00 0.00 0.00 27.41 27.08 1hgc h HIS 58 CO -0.08 0.66 -0.11 0.78 -0.00 0.00 0.00 177.93 179.18 1hgc h GLY 59 N 1.09 0.11 1.76 5.26 0.00 0.54 -0.44 103.07 111.39 1hgc h GLY 59 Ca 0.28 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1hgc h GLY 59 CO -0.06 -0.13 -0.04 1.70 0.00 0.00 0.00 176.54 178.00 1hgc h LYS 60 N -0.07 0.30 0.52 4.80 3.64 -1.20 0.20 116.57 124.75 1hgc h LYS 60 Ca 0.13 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1hgc h LYS 60 Cb 0.27 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1hgc h LYS 60 CO -0.30 0.37 -0.25 0.87 -2.27 0.00 0.00 179.45 177.87 1hgc h LYS 61 N 0.30 -0.67 -0.30 1.90 1.57 -0.70 0.07 116.57 118.73 1hgc h LYS 61 Ca 0.07 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1hgc h LYS 61 Cb 0.28 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1hgc h LYS 61 CO 0.01 -0.44 0.15 0.28 -0.57 0.00 0.00 179.45 178.89 1hgc h VAL 62 N -0.71 0.99 -0.15 0.50 2.07 -1.05 -1.47 116.25 116.44 1hgc h VAL 62 Ca -0.07 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1hgc h VAL 62 Cb 0.54 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1hgc h VAL 62 CO 0.12 0.06 -0.27 0.00 0.02 0.00 0.00 177.57 177.50 1hgc h ALA 63 N 1.15 -0.25 -0.51 1.67 0.00 -0.47 -1.32 119.26 119.53 1hgc h ALA 63 Ca 0.13 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1hgc h ALA 63 Cb 0.04 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1hgc h ALA 63 CO -0.08 -0.73 0.34 -0.44 0.00 0.00 0.00 179.25 178.34 1hgc h ASP 64 N -0.33 0.52 -0.54 0.00 3.32 -0.78 0.22 116.42 118.84 1hgc h ASP 64 Ca 0.11 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1hgc h ASP 64 Cb 0.49 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1hgc h ASP 64 CO -0.34 0.37 -0.12 0.00 -1.72 0.00 0.00 179.24 177.44 1hgc h ALA 65 N 1.70 0.76 -0.83 3.45 0.00 -0.24 -1.56 119.26 122.54 1hgc h ALA 65 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1hgc h ALA 65 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1hgc h ALA 65 CO -0.05 0.68 0.37 -0.07 0.00 0.00 0.00 179.25 180.18 1hgc h LEU 66 N 0.92 1.10 -0.46 0.00 4.07 -0.33 0.18 115.31 120.79 1hgc h LEU 66 Ca 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1hgc h LEU 66 Cb 0.69 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1hgc h LEU 66 CO 0.05 0.95 0.23 0.74 -1.08 0.00 0.00 178.44 179.33 1hgc h THR 67 N 1.18 1.18 -0.26 0.22 2.02 -0.83 0.46 112.91 116.88 1hgc h THR 67 Ca 0.28 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1hgc h THR 67 Cb 0.16 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1hgc h THR 67 CO -0.03 0.19 -0.08 -1.13 0.37 0.00 0.00 175.52 174.84 1hgc h ASN 68 N 0.60 0.39 -0.26 4.18 -1.24 -0.71 -0.42 115.58 118.12 1hgc h ASN 68 Ca 0.16 -0.08 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 1hgc h ASN 68 Cb 0.09 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 1hgc h ASN 68 CO -0.02 0.51 -0.39 0.00 -1.29 0.00 0.00 177.43 176.24 1hgc h ALA 69 N 1.54 0.40 -0.43 1.57 0.00 -0.02 -2.43 119.26 119.89 1hgc h ALA 69 Ca 0.08 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1hgc h ALA 69 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1hgc h ALA 69 CO 0.02 0.49 0.21 0.28 0.00 0.00 0.00 179.25 180.25 1hgc h VAL 70 N 0.46 0.96 -0.83 0.00 2.07 -0.31 -0.72 116.25 117.88 1hgc h VAL 70 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1hgc h VAL 70 Cb 0.98 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1hgc h VAL 70 CO 0.09 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.24 1hgc h ALA 71 N 1.23 1.28 -0.85 1.67 0.00 -1.07 -3.11 119.26 118.42 1hgc h ALA 71 Ca 0.18 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.39 1hgc h ALA 71 Cb 0.10 -0.34 -0.38 0.00 0.00 0.00 0.00 17.79 17.17 1hgc h ALA 71 CO -0.13 0.60 -0.19 0.72 0.00 0.00 0.00 179.25 180.25 1hgc n HIS 72 N -4.36 2.94 -0.11 0.00 -0.00 -0.92 -4.81 115.22 107.97 1hgc n HIS 72 Ca 0.09 -2.53 0.25 0.00 -0.00 0.00 0.00 57.72 55.54 1hgc n HIS 72 Cb 0.08 -0.75 0.71 0.00 -0.00 0.00 0.00 29.99 30.03 1hgc n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1hgc h VAL 73 N 1.75 0.60 -0.01 1.59 3.04 -1.07 0.23 116.25 122.38 1hgc h VAL 73 Ca 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 1hgc h VAL 73 Cb 1.26 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1hgc h VAL 73 CO 1.07 0.00 -0.22 0.47 -1.01 0.00 0.00 177.57 177.88 1hgc n ASP 74 N -4.26 1.18 -2.26 3.17 8.00 -1.26 -4.23 116.55 116.88 1hgc n ASP 74 Ca 0.15 -1.04 -0.00 0.00 0.71 0.00 0.00 54.79 54.61 1hgc n ASP 74 Cb 0.83 0.13 0.05 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.46 0.40 -0.24 -2.24 2.03 -0.12 -4.97 116.55 110.95 1hgc n ASP 75 Ca 0.13 -2.06 0.04 0.00 0.52 0.00 0.00 54.79 53.42 1hgc n ASP 75 Cb 0.36 -0.06 0.13 0.00 -0.72 0.00 0.00 41.12 40.83 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 1.53 0.09 -1.03 -0.67 2.86 -1.22 0.18 114.93 116.68 1hgc h MET 76 Ca -0.29 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.61 1hgc h MET 76 Cb 1.44 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.96 1hgc h MET 76 CO 0.01 0.06 0.63 -1.35 1.06 0.00 0.00 176.91 177.33 1hgc h PRO 77 N 0.10 0.47 0.05 -0.22 0.11 -1.93 1.36 132.00 131.94 1hgc h PRO 77 Ca 0.38 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 66.16 1hgc h PRO 77 Cb 0.65 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1hgc h PRO 77 CO -0.63 0.31 -1.63 -0.91 -0.21 0.00 0.00 178.00 174.93 1hgc h ASN 78 N 0.48 0.16 0.19 -2.05 4.21 -1.39 -1.71 115.58 115.48 1hgc h ASN 78 Ca 0.63 -0.29 -0.09 0.00 1.21 0.00 0.00 56.30 57.77 1hgc h ASN 78 Cb 1.39 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 1hgc h ASN 78 CO -0.40 1.25 -0.33 0.00 -1.29 0.00 0.00 177.43 176.66 1hgc h ALA 79 N 0.73 1.25 -0.27 -0.83 0.00 0.15 -3.24 119.26 117.05 1hgc h ALA 79 Ca -0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1hgc h ALA 79 Cb 1.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1hgc h ALA 79 CO 0.11 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1hgc n LEU 80 N -4.10 3.10 -0.18 0.00 4.77 0.45 -4.74 117.00 116.30 1hgc n LEU 80 Ca -0.01 -2.35 -0.01 0.00 -0.03 0.00 0.00 56.01 53.61 1hgc n LEU 80 Cb 0.41 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1hgc n LEU 80 CO 0.40 0.69 0.91 0.77 -1.33 0.00 0.00 177.39 178.84 1hgc h SER 81 N 1.69 -0.00 -0.98 -1.43 4.64 -1.33 -0.58 113.55 115.55 1hgc h SER 81 Ca 0.00 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1hgc h SER 81 Cb 0.93 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.09 1hgc h SER 81 CO 0.07 0.02 0.62 0.00 -0.87 0.00 0.00 176.83 176.67 1hgc h ALA 82 N 1.43 1.42 -0.07 5.18 0.00 -1.85 -0.73 119.26 124.63 1hgc h ALA 82 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1hgc h ALA 82 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1hgc h ALA 82 CO -0.36 0.31 -0.67 1.25 0.00 0.00 0.00 179.25 179.78 1hgc h LEU 83 N 1.05 0.37 -0.57 0.00 5.85 -1.62 -1.00 115.31 119.39 1hgc h LEU 83 Ca 0.46 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 1hgc h LEU 83 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1hgc h LEU 83 CO -0.22 0.93 -0.57 0.28 -0.34 0.00 0.00 178.44 178.52 1hgc h SER 84 N 0.22 0.49 0.01 1.25 0.02 -0.64 -0.72 113.55 114.19 1hgc h SER 84 Ca -0.02 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1hgc h SER 84 Cb 1.21 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1hgc h SER 84 CO 0.11 0.96 -0.00 0.44 -1.14 0.00 0.00 176.83 177.19 1hgc h ASP 85 N 0.33 -0.01 -0.01 3.07 3.32 -0.90 -0.54 116.42 121.67 1hgc h ASP 85 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1hgc h ASP 85 Cb 1.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1hgc h ASP 85 CO 0.10 0.01 -0.03 0.25 -1.72 0.00 0.00 179.24 177.85 1hgc h LEU 86 N -0.03 -0.09 -0.34 1.55 5.85 -1.04 0.22 115.31 121.44 1hgc h LEU 86 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1hgc h LEU 86 Cb 0.02 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1hgc h LEU 86 CO 0.00 -0.04 -0.02 0.45 -0.34 0.00 0.00 178.44 178.48 1hgc h HIS 87 N -0.05 0.67 -0.42 1.25 3.86 -1.04 -1.34 115.15 118.09 1hgc h HIS 87 Ca 0.02 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 58.97 1hgc h HIS 87 Cb 0.07 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1hgc h HIS 87 CO -0.11 0.74 -0.24 0.00 0.86 0.00 0.00 177.93 179.18 1hgc h ALA 88 N 0.84 0.60 0.00 2.45 0.00 -1.04 1.27 119.26 123.38 1hgc h ALA 88 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1hgc h ALA 88 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1hgc h ALA 88 CO 0.02 0.60 -1.82 0.72 0.00 0.00 0.00 179.25 178.78 1hgc n HIS 89 N -4.16 0.00 -0.04 0.00 8.25 0.77 -4.46 115.22 115.58 1hgc n HIS 89 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1hgc n HIS 89 Cb 0.46 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1hgc n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1hgc n LYS 90 N -2.16 0.22 0.02 -0.41 4.81 -0.73 -4.83 118.16 115.08 1hgc n LYS 90 Ca -0.06 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.35 1hgc n LYS 90 Cb 0.52 -0.88 -0.09 0.00 0.02 0.00 0.00 35.03 34.60 1hgc n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hgc h LEU 91 N -0.39 -0.10 -1.75 3.14 3.38 -1.38 -3.48 115.31 114.73 1hgc h LEU 91 Ca -0.19 -0.48 -0.42 0.00 0.09 0.00 0.00 57.88 56.88 1hgc h LEU 91 Cb 0.96 0.03 0.05 0.00 0.09 0.00 0.00 40.66 41.79 1hgc h LEU 91 CO -0.11 0.49 -0.83 0.54 0.09 0.00 0.00 178.44 178.62 1hgc n ARG 92 N -4.86 -4.89 -2.29 1.13 1.74 0.44 -4.95 116.66 102.98 1hgc n ARG 92 Ca -0.08 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.20 1hgc n ARG 92 Cb 0.29 -5.17 -0.03 0.00 -1.02 0.00 0.00 32.46 26.53 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 -3.66 3.34 0.16 1.55 1.01 -1.25 -4.95 120.40 116.60 1hgc s VAL 93 Ca 0.03 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.84 1hgc s VAL 93 Cb -0.02 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1hgc s VAL 93 CO 0.82 0.19 1.79 -0.62 0.00 0.00 0.00 175.10 177.28 1hgc s ASP 94 N 0.12 6.41 0.49 3.32 -1.08 -1.26 -4.85 116.67 119.82 1hgc s ASP 94 Ca 0.54 2.80 0.36 0.00 -0.52 0.00 0.00 52.55 55.73 1hgc s ASP 94 Cb -0.35 -2.58 1.51 0.00 -1.46 0.00 0.00 42.92 40.04 1hgc s ASP 94 CO 0.39 -0.99 1.67 -0.65 0.52 0.00 0.00 175.17 176.11 1hgc h PRO 95 N 7.93 0.07 0.00 4.34 0.11 -2.00 -0.68 132.00 141.78 1hgc h PRO 95 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hgc h PRO 95 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hgc h PRO 95 CO 0.95 0.05 -0.00 -0.24 -0.21 0.00 0.00 178.00 178.55 1hgc h VAL 96 N 0.08 0.15 0.00 3.15 3.04 -2.03 -2.68 116.25 117.96 1hgc h VAL 96 Ca 0.76 -0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 66.40 1hgc h VAL 96 Cb 2.71 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.99 1hgc h VAL 96 CO -0.18 0.00 -0.24 0.78 -1.01 0.00 0.00 177.57 176.91 1hgc h ASN 97 N 0.00 0.00 0.12 3.17 4.21 -1.48 -3.12 115.58 118.48 1hgc h ASN 97 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1hgc h ASN 97 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1hgc h ASN 97 CO 0.00 0.24 -0.11 -0.26 -1.29 0.00 0.00 177.43 176.01 1hgc h PHE 98 N 0.00 0.00 -0.04 1.19 -1.00 -1.66 -2.17 116.94 113.26 1hgc h PHE 98 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1hgc h PHE 98 Cb 0.92 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1hgc h PHE 98 CO 0.00 0.11 -0.87 0.87 -1.61 0.00 0.00 178.31 176.81 1hgc h LYS 99 N 0.00 0.48 -0.21 1.51 1.57 -1.72 -2.11 116.57 116.10 1hgc h LYS 99 Ca -0.00 -0.46 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1hgc h LYS 99 Cb 0.20 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1hgc h LYS 99 CO 0.01 1.11 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.36 1hgc h LEU 100 N 0.30 0.72 -0.27 2.94 3.38 -1.51 -2.71 115.31 118.15 1hgc h LEU 100 Ca -0.07 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 1hgc h LEU 100 Cb 1.49 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1hgc h LEU 100 CO 0.16 1.14 -0.31 0.25 0.09 0.00 0.00 178.44 179.77 1hgc h LEU 101 N 0.49 0.74 -0.43 1.67 5.85 -1.47 -2.69 115.31 119.46 1hgc h LEU 101 Ca 0.00 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1hgc h LEU 101 Cb 1.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1hgc h LEU 101 CO 0.11 1.07 0.21 0.28 -0.34 0.00 0.00 178.44 179.78 1hgc h SER 102 N 0.42 0.30 -0.50 1.25 0.02 -1.38 -1.44 113.55 112.23 1hgc h SER 102 Ca 0.04 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1hgc h SER 102 Cb 0.88 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1hgc h SER 102 CO 0.07 0.22 0.26 -0.74 -1.14 0.00 0.00 176.83 175.50 1hgc h HIS 103 N 0.42 0.48 -0.02 3.45 -0.00 -1.50 -1.47 115.15 116.52 1hgc h HIS 103 Ca 0.19 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 1hgc h HIS 103 Cb 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1hgc h HIS 103 CO -0.11 0.24 -0.29 0.00 -0.00 0.00 0.00 177.93 177.78 1hgc h LEU 105 N 0.04 0.07 -0.03 0.00 5.85 -0.82 -1.80 115.31 118.63 1hgc h LEU 105 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1hgc h LEU 105 Cb 0.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1hgc h LEU 105 CO 0.04 0.85 -0.05 0.25 -0.34 0.00 0.00 178.44 179.19 1hgc h LEU 106 N 0.03 0.09 0.47 2.25 5.85 -0.47 -2.38 115.31 121.14 1hgc h LEU 106 Ca -0.02 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1hgc h LEU 106 Cb 1.43 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1hgc h LEU 106 CO 0.11 0.64 -0.23 0.58 -0.34 0.00 0.00 178.44 179.20 1hgc h VAL 107 N -0.46 0.52 -0.84 1.05 2.07 -1.11 -0.30 116.25 117.18 1hgc h VAL 107 Ca 0.00 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1hgc h VAL 107 Cb 0.62 0.62 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1hgc h VAL 107 CO 0.01 0.04 -0.43 0.74 0.02 0.00 0.00 177.57 177.94 1hgc h THR 108 N -0.76 0.04 -0.40 2.57 2.02 -1.38 -0.09 112.91 114.92 1hgc h THR 108 Ca -0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1hgc h THR 108 Cb 0.54 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1hgc h THR 108 CO 0.11 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.15 1hgc h LEU 109 N -0.08 0.35 -0.81 2.58 3.38 -1.36 -2.41 115.31 116.95 1hgc h LEU 109 Ca 0.25 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1hgc h LEU 109 Cb 0.55 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1hgc h LEU 109 CO -0.86 0.26 0.51 0.00 0.09 0.00 0.00 178.44 178.43 1hgc h ALA 110 N 1.19 1.09 0.00 1.53 0.00 0.58 0.71 119.26 124.36 1hgc h ALA 110 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hgc h ALA 110 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1hgc h ALA 110 CO -0.09 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1hgc n ALA 111 N -2.34 2.19 -0.00 0.00 0.00 -0.21 -3.40 120.51 116.75 1hgc n ALA 111 Ca 0.11 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1hgc n ALA 111 Cb 0.13 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1hgc n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hgc n HIS 112 N -1.64 0.00 -2.77 0.00 8.25 -0.93 -4.78 115.22 113.34 1hgc n HIS 112 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1hgc n HIS 112 Cb 0.32 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.73 3.42 -0.03 2.41 4.77 0.20 -4.99 117.00 121.06 1hgc n LEU 113 Ca -0.02 -5.06 -0.01 0.00 -0.03 0.00 0.00 56.01 50.89 1hgc n LEU 113 Cb 0.20 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1hgc n LEU 113 CO 0.08 2.16 0.46 -0.81 -1.33 0.00 0.00 177.39 177.96 1hgc n PRO 114 N -0.21 -0.03 -0.32 3.23 -0.04 -1.22 -1.34 135.00 135.08 1hgc n PRO 114 Ca 0.29 0.96 0.12 0.00 -0.04 0.00 0.00 63.50 64.83 1hgc n PRO 114 Cb 0.60 -1.44 0.29 0.00 -0.04 0.00 0.00 33.50 32.92 1hgc n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hgc h ALA 115 N -0.82 1.50 0.00 0.55 0.00 -1.94 -2.32 119.26 116.23 1hgc h ALA 115 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hgc h ALA 115 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hgc h ALA 115 CO -0.06 -0.16 -0.33 1.05 0.00 0.00 0.00 179.25 179.75 1hgc h GLU 116 N 0.61 0.00 -2.89 0.00 9.09 -1.79 -3.39 114.58 116.21 1hgc h GLU 116 Ca 0.55 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 59.25 1hgc h GLU 116 Cb 0.90 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.96 1hgc h GLU 116 CO -0.42 0.00 3.15 0.34 0.05 0.00 0.00 179.01 182.13 1hgc n PHE 117 N -2.23 2.56 -1.60 2.06 7.35 -0.45 -4.70 117.46 120.45 1hgc n PHE 117 Ca 0.04 -2.96 -0.31 0.00 -0.76 0.00 0.00 57.45 53.46 1hgc n PHE 117 Cb 0.44 -2.19 0.05 0.00 0.35 0.00 0.00 39.48 38.13 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 0.70 4.00 0.39 -2.13 2.01 -1.26 -4.73 115.64 114.61 1hgc s THR 118 Ca 0.61 0.67 0.14 0.00 0.31 0.00 0.00 61.69 63.42 1hgc s THR 118 Cb 0.18 -3.39 0.36 0.00 0.01 0.00 0.00 72.50 69.66 1hgc s THR 118 CO -0.07 -0.83 1.84 -0.65 -0.69 0.00 0.00 174.62 174.22 1hgc h PRO 119 N -0.65 0.50 0.00 4.92 0.11 -1.98 0.35 132.00 135.25 1hgc h PRO 119 Ca -0.44 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1hgc h PRO 119 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1hgc h PRO 119 CO 0.57 0.33 -0.89 0.00 -0.21 0.00 0.00 178.00 177.79 1hgc h ALA 120 N 1.61 0.45 -0.00 -0.75 0.00 -1.96 -1.95 119.26 116.66 1hgc h ALA 120 Ca 0.49 -0.80 -0.25 0.00 0.00 0.00 0.00 54.91 54.35 1hgc h ALA 120 Cb 1.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1hgc h ALA 120 CO -0.22 1.09 -1.00 0.28 0.00 0.00 0.00 179.25 179.40 1hgc h VAL 121 N 0.00 1.32 -0.34 0.00 2.07 -1.06 -2.73 116.25 115.52 1hgc h VAL 121 Ca -0.02 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 1hgc h VAL 121 Cb 1.67 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 1hgc h VAL 121 CO 0.11 0.71 0.17 -0.74 0.02 0.00 0.00 177.57 177.84 1hgc h HIS 122 N 0.34 0.48 -0.53 1.57 6.17 -0.49 -1.55 115.15 121.13 1hgc h HIS 122 Ca -0.11 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 60.95 1hgc h HIS 122 Cb 1.65 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 31.40 1hgc h HIS 122 CO 0.09 0.41 0.32 0.00 0.71 0.00 0.00 177.93 179.46 1hgc h ALA 123 N 1.03 0.68 0.70 5.26 0.00 -1.36 -2.46 119.26 123.11 1hgc h ALA 123 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1hgc h ALA 123 Cb 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hgc h ALA 123 CO -0.02 0.16 -0.34 0.77 0.00 0.00 0.00 179.25 179.83 1hgc h SER 124 N 0.71 -0.80 -0.43 0.00 0.02 -1.25 -2.60 113.55 109.21 1hgc h SER 124 Ca 0.19 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1hgc h SER 124 Cb -0.01 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1hgc h SER 124 CO -0.04 -0.55 0.22 -0.07 -1.14 0.00 0.00 176.83 175.25 1hgc h LEU 125 N -0.97 0.58 -0.56 5.07 3.38 -1.34 0.12 115.31 121.59 1hgc h LEU 125 Ca -0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1hgc h LEU 125 Cb 0.73 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1hgc h LEU 125 CO 0.16 0.51 0.33 -0.78 0.09 0.00 0.00 178.44 178.74 1hgc h ASP 126 N 0.65 0.68 -0.18 -0.43 3.58 -1.42 0.56 116.42 119.86 1hgc h ASP 126 Ca 0.16 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1hgc h ASP 126 Cb 0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1hgc h ASP 126 CO -0.02 0.55 -0.35 0.11 -2.88 0.00 0.00 179.24 176.65 1hgc h LYS 127 N 0.75 0.69 0.41 0.28 1.57 -0.91 -2.10 116.57 117.27 1hgc h LYS 127 Ca 0.20 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1hgc h LYS 127 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1hgc h LYS 127 CO -0.04 0.94 -0.34 0.35 -0.57 0.00 0.00 179.45 179.79 1hgc h PHE 128 N 0.58 -0.94 -0.73 -1.35 3.57 -0.03 -1.11 116.94 116.94 1hgc h PHE 128 Ca 0.06 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.70 1hgc h PHE 128 Cb 0.87 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 1hgc h PHE 128 CO 0.04 -0.48 0.49 -0.07 -2.23 0.00 0.00 178.31 176.06 1hgc h LEU 129 N -0.74 0.36 -0.63 0.59 3.38 0.10 -0.52 115.31 117.86 1hgc h LEU 129 Ca -0.05 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1hgc h LEU 129 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1hgc h LEU 129 CO -0.00 0.19 -0.28 0.00 0.09 0.00 0.00 178.44 178.44 1hgc h ALA 130 N 1.65 0.81 0.03 1.53 0.00 -0.84 -0.97 119.26 121.48 1hgc h ALA 130 Ca 0.35 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1hgc h ALA 130 Cb 0.83 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1hgc h ALA 130 CO -0.11 0.65 -0.99 0.66 0.00 0.00 0.00 179.25 179.46 1hgc h SER 131 N 0.67 0.40 -0.41 0.00 4.64 0.12 -0.85 113.55 118.13 1hgc h SER 131 Ca 0.08 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1hgc h SER 131 Cb 0.81 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1hgc h SER 131 CO 0.07 1.18 0.25 0.58 -0.87 0.00 0.00 176.83 178.04 1hgc h VAL 132 N 0.15 1.12 -0.26 0.95 2.07 -1.08 -1.13 116.25 118.07 1hgc h VAL 132 Ca -0.08 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1hgc h VAL 132 Cb 1.65 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1hgc h VAL 132 CO 0.16 0.12 0.13 0.28 0.02 0.00 0.00 177.57 178.29 1hgc h SER 133 N 0.54 0.20 -0.78 0.57 0.02 -1.06 -1.28 113.55 111.76 1hgc h SER 133 Ca 0.15 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1hgc h SER 133 Cb -0.02 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 1hgc h SER 133 CO -0.03 0.15 0.50 0.74 -1.14 0.00 0.00 176.83 177.05 1hgc h THR 134 N 0.28 1.13 -0.60 -2.27 2.02 -0.96 -2.24 112.91 110.27 1hgc h THR 134 Ca 0.11 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1hgc h THR 134 Cb 0.03 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1hgc h THR 134 CO -0.07 0.18 0.22 0.58 0.37 0.00 0.00 175.52 176.80 1hgc h VAL 135 N 0.98 1.23 0.00 3.16 2.07 -0.77 -0.55 116.25 122.38 1hgc h VAL 135 Ca 0.31 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1hgc h VAL 135 Cb -0.00 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1hgc h VAL 135 CO -0.11 0.29 -0.52 -0.07 0.02 0.00 0.00 177.57 177.18 1hgc h LEU 136 N 0.83 0.00 -2.69 2.57 3.38 -1.01 -3.06 115.31 115.33 1hgc h LEU 136 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1hgc h LEU 136 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1hgc h LEU 136 CO -0.01 0.52 0.00 0.35 0.09 0.00 0.00 178.44 179.39 1hgc n THR 137 N -3.86 0.90 0.21 0.22 -2.24 -0.86 -4.29 114.28 104.36 1hgc n THR 137 Ca -0.01 -0.95 0.07 0.00 -2.27 0.00 0.00 64.05 60.88 1hgc n THR 137 Cb 0.54 0.59 0.46 0.00 -2.10 0.00 0.00 70.33 69.82 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 3.74 0.00 -0.51 3.42 4.64 -0.99 -3.10 113.55 120.75 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 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1hgc h SER 138 CO 0.00 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 1hgc n LYS 139 N -3.74 4.04 0.07 4.77 5.02 -1.26 -4.64 118.16 122.42 1hgc n LYS 139 Ca -0.01 -2.97 0.02 0.00 -2.02 0.00 0.00 58.31 53.33 1hgc n LYS 139 Cb 0.39 -2.02 0.38 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 3.42 0.37 0.00 2.13 -1.99 -1.85 -3.46 116.97 115.59 1hgc h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1hgc h TYR 140 Cb 1.65 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 40.28 1hgc h TYR 140 CO 0.83 0.39 0.00 2.89 -0.00 0.00 0.00 178.16 182.27