#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgc n LEU 6 N 0.00 0.57 -0.13 -0.35 7.99 -1.26 -4.30 117.00 119.52 2hgc n LEU 6 Ca 0.00 -0.05 -0.08 0.00 -0.01 0.00 0.00 56.01 55.87 2hgc n LEU 6 Cb 0.00 -0.23 -0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2hgc n LEU 6 CO 0.00 0.14 1.01 0.08 -1.51 0.00 0.00 177.39 177.11 2hgc h ARG 7 N 0.09 0.55 -0.72 3.23 0.11 -1.99 -1.28 114.38 114.37 2hgc h ARG 7 Ca 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2hgc h ARG 7 Cb 0.50 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 2hgc h ARG 7 CO 0.00 0.41 0.43 -0.92 0.10 0.00 0.00 179.97 179.99 2hgc h TYR 8 N 0.53 0.96 0.13 4.08 3.20 -2.00 -0.66 116.97 123.22 2hgc h TYR 8 Ca 0.15 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2hgc h TYR 8 Cb 0.00 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2hgc h TYR 8 CO -0.03 0.65 -0.09 0.00 -1.64 0.00 0.00 178.16 177.04 2hgc h ALA 9 N 1.22 -0.21 -0.92 1.82 0.00 -1.63 0.12 119.26 119.66 2hgc h ALA 9 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2hgc h ALA 9 Cb -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2hgc h ALA 9 CO -0.05 -0.63 0.60 0.82 0.00 0.00 0.00 179.25 180.00 2hgc h ILE 10 N -0.23 1.19 0.02 0.00 2.04 -1.07 0.36 117.51 119.82 2hgc h ILE 10 Ca -0.01 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2hgc h ILE 10 Cb 0.20 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 2hgc h ILE 10 CO -0.00 0.22 -0.08 -0.07 0.00 0.00 0.00 178.15 178.21 2hgc h LEU 11 N 1.19 -0.24 -0.44 1.44 3.38 -0.49 0.20 115.31 120.36 2hgc h LEU 11 Ca 0.36 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.26 2hgc h LEU 11 Cb -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2hgc h LEU 11 CO -0.10 -0.13 -0.10 0.50 0.09 0.00 0.00 178.44 178.70 2hgc h LYS 12 N -0.16 0.85 0.00 1.13 3.64 -0.27 -0.33 116.57 121.43 2hgc h LYS 12 Ca 0.03 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 2hgc h LYS 12 Cb 0.19 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2hgc h LYS 12 CO -0.07 0.95 -0.32 0.93 -2.27 0.00 0.00 179.45 178.67 2hgc h GLU 13 N 0.68 0.00 -0.04 1.90 3.07 -0.10 0.27 114.58 120.36 2hgc h GLU 13 Ca 0.11 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2hgc h GLU 13 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2hgc h GLU 13 CO 0.04 0.32 -0.22 0.82 -1.40 0.00 0.00 179.01 178.57 2hgc h ILE 14 N 0.00 1.46 -0.30 3.13 2.04 -0.41 -0.18 117.51 123.25 2hgc h ILE 14 Ca -0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2hgc h ILE 14 Cb 0.58 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 2hgc h ILE 14 CO 0.04 0.47 0.20 0.15 0.00 0.00 0.00 178.15 179.01 2hgc h PHE 15 N -0.33 0.38 0.06 1.37 3.57 -0.52 0.40 116.94 121.86 2hgc h PHE 15 Ca -0.02 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2hgc h PHE 15 Cb 0.88 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2hgc h PHE 15 CO 0.14 0.24 -1.06 0.93 -2.23 0.00 0.00 178.31 176.33 2hgc h GLU 16 N 0.41 0.24 0.00 1.11 4.39 -0.60 -3.31 114.58 116.81 2hgc h GLU 16 Ca 0.11 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 2hgc h GLU 16 Cb -0.05 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2hgc h GLU 16 CO -0.03 1.10 -0.50 0.78 -1.16 0.00 0.00 179.01 179.20 2hgc h GLY 17 N 1.78 0.00 0.00 -3.84 0.00 -0.80 -3.47 103.07 96.74 2hgc h GLY 17 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2hgc h GLY 17 CO 0.17 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.70 2hgc n ASN 18 N -3.06 -0.62 -1.26 0.19 5.15 0.14 -4.79 115.26 111.00 2hgc n ASN 18 Ca 0.01 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.13 2hgc n ASN 18 Cb 0.64 -1.18 -0.07 0.00 -0.53 0.00 0.00 39.78 38.65 2hgc n ASN 18 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2hgc n THR 19 N -2.08 -0.43 -3.12 -0.44 -2.24 -1.24 -4.42 114.28 100.30 2hgc n THR 19 Ca 0.00 0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 61.97 2hgc n THR 19 Cb 0.03 -0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 67.21 2hgc n THR 19 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2hgc s PRO 20 N -3.95 3.97 -0.03 -0.78 0.04 -1.23 -3.54 135.00 129.49 2hgc s PRO 20 Ca 0.00 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 2hgc s PRO 20 Cb 0.00 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 2hgc s PRO 20 CO 0.00 -0.51 0.54 -0.48 0.04 0.00 0.00 177.00 176.59 2hgc s LEU 21 N 2.55 4.40 0.70 -3.56 2.34 -1.26 -4.99 118.68 118.86 2hgc s LEU 21 Ca 0.25 1.06 -0.11 0.00 0.06 0.00 0.00 54.13 55.39 2hgc s LEU 21 Cb -0.15 -2.82 0.02 0.00 -0.56 0.00 0.00 46.19 42.68 2hgc s LEU 21 CO 0.11 0.12 1.08 -0.44 -1.06 0.00 0.00 176.35 176.15 2hgc s SER 22 N -0.17 5.42 0.03 1.48 0.01 -1.26 -4.92 113.70 114.29 2hgc s SER 22 Ca 0.29 1.06 -0.25 0.00 1.31 0.00 0.00 55.95 58.36 2hgc s SER 22 Cb -0.17 -1.87 -0.17 0.00 0.21 0.00 0.00 66.02 64.02 2hgc s SER 22 CO 0.15 -1.34 1.48 1.05 0.41 0.00 0.00 173.24 174.99 2hgc h GLU 23 N -0.62 -0.10 0.00 12.44 -0.00 -1.92 -1.95 114.58 122.43 2hgc h GLU 23 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2hgc h GLU 23 Cb 1.26 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2hgc h GLU 23 CO 0.64 0.15 0.00 -1.71 -0.00 0.00 0.00 179.01 178.08 2hgc n ASN 24 N -5.03 0.67 0.08 3.06 2.85 -1.26 -1.05 115.26 114.59 2hgc n ASN 24 Ca -0.08 0.66 -0.22 0.00 -0.11 0.00 0.00 54.58 54.82 2hgc n ASN 24 Cb 0.16 -0.80 -0.15 0.00 1.24 0.00 0.00 39.78 40.23 2hgc n ASN 24 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2hgc h ASP 25 N 0.00 0.63 0.45 1.20 3.58 -1.82 -3.33 116.42 117.13 2hgc h ASP 25 Ca 0.00 -0.88 -0.23 0.00 0.42 0.00 0.00 57.03 56.34 2hgc h ASP 25 Cb 0.37 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2hgc h ASP 25 CO 0.00 1.73 -1.01 -0.29 -2.88 0.00 0.00 179.24 176.79 2hgc h ILE 26 N 0.11 1.44 0.00 2.25 2.10 -0.98 -3.49 117.51 118.95 2hgc h ILE 26 Ca -0.32 -2.63 0.00 0.00 1.08 0.00 0.00 64.86 62.99 2hgc h ILE 26 Cb 2.10 2.56 0.00 0.00 -1.09 0.00 0.00 36.82 40.39 2hgc h ILE 26 CO 0.19 0.78 0.00 0.61 -1.08 0.00 0.00 178.15 178.65 2hgc n GLY 27 N 1.08 1.22 3.89 8.18 0.00 -0.22 -5.11 105.19 114.23 2hgc n GLY 27 Ca -0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2hgc n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgc s VAL 28 N -0.49 4.96 1.12 1.61 -7.23 -1.18 -4.88 120.40 114.31 2hgc s VAL 28 Ca 0.00 0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 60.30 2hgc s VAL 28 Cb 0.00 -3.69 0.25 0.00 0.56 0.00 0.00 36.38 33.50 2hgc s VAL 28 CO 0.00 -0.24 1.08 0.28 -0.31 0.00 0.00 175.10 175.91 2hgc s THR 29 N -2.01 1.81 0.19 5.32 -1.32 -1.26 -4.03 115.64 114.34 2hgc s THR 29 Ca 0.46 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.84 2hgc s THR 29 Cb -0.11 -2.43 0.11 0.00 -1.51 0.00 0.00 72.50 68.57 2hgc s THR 29 CO 0.27 0.00 1.75 -0.08 -2.21 0.00 0.00 174.62 174.34 2hgc h GLU 30 N -2.33 1.05 -0.84 7.08 4.81 -1.98 -0.67 114.58 121.69 2hgc h GLU 30 Ca -0.51 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.50 2hgc h GLU 30 Cb 1.32 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2hgc h GLU 30 CO 0.47 0.87 0.44 -0.44 -0.73 0.00 0.00 179.01 179.62 2hgc h ASP 31 N 1.00 1.07 -0.11 1.04 3.32 -1.98 0.31 116.42 121.07 2hgc h ASP 31 Ca 0.23 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 56.93 2hgc h ASP 31 Cb 0.23 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.51 2hgc h ASP 31 CO -0.02 0.88 -0.84 1.56 -1.72 0.00 0.00 179.24 179.11 2hgc h GLN 32 N 1.19 0.77 -0.09 3.56 1.08 -1.84 0.31 115.11 120.09 2hgc h GLN 32 Ca 0.29 -0.67 -0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2hgc h GLN 32 Cb 0.07 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2hgc h GLN 32 CO -0.04 1.27 0.05 0.35 -0.95 0.00 0.00 178.83 179.51 2hgc h PHE 33 N 0.51 0.12 -0.32 2.96 3.57 -0.80 -2.06 116.94 120.93 2hgc h PHE 33 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2hgc h PHE 33 Cb 1.47 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 2hgc h PHE 33 CO 0.09 0.14 0.16 0.22 -2.23 0.00 0.00 178.31 176.69 2hgc h ASP 34 N 0.07 0.41 -0.15 0.41 3.58 -0.39 -1.87 116.42 118.48 2hgc h ASP 34 Ca 0.03 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.40 2hgc h ASP 34 Cb 0.05 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 2hgc h ASP 34 CO -0.01 0.41 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.91 2hgc h ASP 35 N 0.39 -0.25 -0.23 2.28 3.58 -0.80 -1.18 116.42 120.20 2hgc h ASP 35 Ca 0.11 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 2hgc h ASP 35 Cb 0.10 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2hgc h ASP 35 CO -0.02 -0.10 -0.14 0.00 -2.88 0.00 0.00 179.24 176.10 2hgc h ALA 36 N 1.07 0.33 -0.36 -0.78 0.00 -1.34 -2.46 119.26 115.73 2hgc h ALA 36 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2hgc h ALA 36 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2hgc h ALA 36 CO -0.19 0.21 0.20 0.28 0.00 0.00 0.00 179.25 179.75 2hgc h VAL 37 N 0.22 1.14 -0.38 0.00 2.07 -1.17 0.54 116.25 118.66 2hgc h VAL 37 Ca 0.05 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2hgc h VAL 37 Cb 0.66 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2hgc h VAL 37 CO 0.04 0.14 -0.06 0.78 0.02 0.00 0.00 177.57 178.50 2hgc h ASN 38 N 0.46 0.62 -0.29 0.57 2.35 -1.25 -1.52 115.58 116.51 2hgc h ASN 38 Ca 0.13 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2hgc h ASN 38 Cb 0.05 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2hgc h ASN 38 CO -0.02 0.72 -0.19 0.15 -1.65 0.00 0.00 177.43 176.44 2hgc h PHE 39 N 0.60 0.76 -0.34 1.19 3.57 -1.00 -1.90 116.94 119.82 2hgc h PHE 39 Ca 0.12 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 2hgc h PHE 39 Cb 0.46 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2hgc h PHE 39 CO 0.02 0.91 0.04 -0.07 -2.23 0.00 0.00 178.31 176.98 2hgc h LEU 40 N 0.39 0.47 -0.84 0.59 3.38 -0.66 -1.04 115.31 117.60 2hgc h LEU 40 Ca 0.06 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2hgc h LEU 40 Cb 0.74 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2hgc h LEU 40 CO 0.05 0.51 -0.30 0.50 0.09 0.00 0.00 178.44 179.29 2hgc h LYS 41 N 0.50 0.52 -0.39 1.13 3.11 -1.12 0.29 116.57 120.61 2hgc h LYS 41 Ca 0.11 -0.22 -0.08 0.00 -2.81 0.00 0.00 60.65 57.65 2hgc h LYS 41 Cb 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2hgc h LYS 41 CO 0.00 0.76 -0.08 -0.09 -2.81 0.00 0.00 179.45 177.24 2hgc h ARG 42 N 0.45 0.74 0.00 1.90 2.43 -0.39 -3.00 114.38 116.50 2hgc h ARG 42 Ca 0.06 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 2hgc h ARG 42 Cb 0.75 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2hgc h ARG 42 CO 0.06 0.88 -0.58 0.93 -1.51 0.00 0.00 179.97 179.74 2hgc h GLU 43 N 0.55 0.00 0.00 0.20 5.08 -1.32 -3.48 114.58 115.62 2hgc h GLU 43 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2hgc h GLU 43 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2hgc h GLU 43 CO 0.04 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 2hgc n GLY 44 N 1.22 1.02 0.08 -3.84 0.00 -0.05 -5.01 105.19 98.62 2hgc n GLY 44 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2hgc n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2hgc h TYR 45 N 0.00 0.04 -3.81 1.61 -1.99 -0.79 -3.43 116.97 108.59 2hgc h TYR 45 Ca 0.00 -0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.55 2hgc h TYR 45 Cb 0.00 -0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.53 2hgc h TYR 45 CO 0.00 1.06 -0.59 0.96 -0.00 0.00 0.00 178.16 179.59 2hgc s ILE 46 N -2.61 0.12 0.35 -2.88 -5.25 -1.23 -2.16 121.20 107.55 2hgc s ILE 46 Ca -0.05 -0.96 0.05 0.00 -0.99 0.00 0.00 60.65 58.70 2hgc s ILE 46 Cb 0.08 -0.57 -0.03 0.00 2.95 0.00 0.00 42.46 44.89 2hgc s ILE 46 CO 0.82 -0.53 0.19 0.27 -1.79 0.00 0.00 174.94 173.90 2hgc s ILE 47 N -1.93 0.32 -0.42 8.37 -4.36 0.82 -4.21 121.20 119.79 2hgc s ILE 47 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 2hgc s ILE 47 Cb -0.06 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.22 2hgc s ILE 47 CO -0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.77 2hgc n GLY 48 N -0.73 0.68 3.62 6.27 0.00 -1.26 0.22 105.19 113.99 2hgc n GLY 48 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2hgc n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgc s VAL 49 N -2.06 3.88 -0.40 1.61 1.01 -1.26 -3.57 120.40 119.61 2hgc s VAL 49 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2hgc s VAL 49 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2hgc s VAL 49 CO 0.00 -0.50 1.09 -1.00 0.00 0.00 0.00 175.10 174.69 2hgc s HIS 50 N 5.17 2.98 -0.05 5.22 3.76 -1.26 -5.02 115.29 126.09 2hgc s HIS 50 Ca 0.64 0.92 -0.04 0.00 -0.15 0.00 0.00 55.06 56.44 2hgc s HIS 50 Cb -0.19 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.40 2hgc s HIS 50 CO 0.29 -1.02 0.13 0.71 -0.85 0.00 0.00 174.74 173.99 2hgc s TYR 51 N 4.04 3.48 -0.40 1.40 2.02 -1.26 -1.92 117.35 124.70 2hgc s TYR 51 Ca 0.46 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.55 2hgc s TYR 51 Cb -0.10 -1.85 0.12 0.00 -0.40 0.00 0.00 41.96 39.74 2hgc s TYR 51 CO 0.24 0.65 0.19 -1.12 -1.57 0.00 0.00 175.55 173.93 2hgc s SER 52 N -1.48 3.84 0.00 2.29 0.01 -0.63 -4.95 113.70 112.79 2hgc s SER 52 Ca 0.21 -2.36 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2hgc s SER 52 Cb -0.12 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2hgc s SER 52 CO 0.11 -0.31 0.00 0.47 0.41 0.00 0.00 173.24 173.92 2hgc n ASP 53 N 3.91 0.00 -0.13 2.44 8.00 -1.26 -2.85 116.55 126.66 2hgc n ASP 53 Ca 0.05 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.33 2hgc n ASP 53 Cb 0.37 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.35 2hgc n ASP 53 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2hgc n ASP 54 N 1.57 1.98 -4.02 -2.24 2.03 -1.26 -5.03 116.55 109.57 2hgc n ASP 54 Ca 0.00 0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 2hgc n ASP 54 Cb 0.00 -0.61 -0.12 0.00 -0.72 0.00 0.00 41.12 39.68 2hgc n ASP 54 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2hgc s ARG 55 N -2.51 0.45 0.39 -0.67 6.06 -1.13 -5.14 118.95 116.39 2hgc s ARG 55 Ca -0.36 -0.63 -0.26 0.00 -2.50 0.00 0.00 55.73 51.99 2hgc s ARG 55 Cb 0.11 -0.21 -0.09 0.00 0.06 0.00 0.00 34.95 34.83 2hgc s ARG 55 CO 0.57 0.03 1.19 -1.25 -2.50 0.00 0.00 175.30 173.34 2hgc s PRO 56 N -1.32 4.10 -0.21 5.12 0.04 -1.26 -1.60 135.00 139.85 2hgc s PRO 56 Ca -0.10 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 2hgc s PRO 56 Cb -0.09 -2.74 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 2hgc s PRO 56 CO 0.00 -0.30 -0.23 0.72 0.04 0.00 0.00 177.00 177.23 2hgc n HIS 57 N 0.19 0.00 -1.00 0.56 8.25 -0.81 -4.91 115.22 117.50 2hgc n HIS 57 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2hgc n HIS 57 Cb 0.46 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.77 2hgc n HIS 57 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2hgc n LEU 58 N -3.50 -1.44 -4.21 2.41 4.77 -1.25 -4.94 117.00 108.83 2hgc n LEU 58 Ca -0.40 1.87 -0.14 0.00 -0.03 0.00 0.00 56.01 57.31 2hgc n LEU 58 Cb 0.86 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2hgc n LEU 58 CO 0.13 -0.09 -0.15 -0.31 -1.33 0.00 0.00 177.39 175.64 2hgc s TYR 59 N -3.85 1.28 -2.00 -1.77 2.02 -1.26 -4.61 117.35 107.16 2hgc s TYR 59 Ca 0.00 -1.42 0.20 0.00 -0.37 0.00 0.00 57.07 55.48 2hgc s TYR 59 Cb 0.00 -0.53 1.19 0.00 -0.40 0.00 0.00 41.96 42.22 2hgc s TYR 59 CO 0.00 -0.76 1.62 1.63 -1.57 0.00 0.00 175.55 176.47 2hgc n LYS 60 N -0.40 0.75 -2.76 -0.62 5.02 -1.23 -1.97 118.16 116.95 2hgc n LYS 60 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 2hgc n LYS 60 Cb 0.64 -1.41 0.07 0.00 -0.02 0.00 0.00 35.03 34.31 2hgc n LYS 60 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2hgc n LEU 61 N -0.91 0.53 0.00 -0.35 0.00 -1.26 -4.89 117.00 110.11 2hgc n LEU 61 Ca 0.15 -3.19 0.00 0.00 0.00 0.00 0.00 56.01 52.97 2hgc n LEU 61 Cb 0.07 0.34 0.00 0.00 0.00 0.00 0.00 43.42 43.83 2hgc n LEU 61 CO 0.11 1.33 0.00 0.61 0.00 0.00 0.00 177.39 179.45 2hgc n GLY 62 N -0.79 0.41 3.88 -3.96 0.00 -0.83 -5.04 105.19 98.86 2hgc n GLY 62 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2hgc n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgc s PRO 63 N 0.00 3.61 -0.01 1.61 0.04 -1.23 -4.65 135.00 134.36 2hgc s PRO 63 Ca 0.00 0.51 0.04 0.00 0.04 0.00 0.00 61.00 61.59 2hgc s PRO 63 Cb 0.00 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2hgc s PRO 63 CO 0.00 -0.37 -0.14 -1.21 0.04 0.00 0.00 177.00 175.33 2hgc s GLU 64 N -4.85 1.10 0.04 4.56 2.02 0.13 -4.97 118.70 116.74 2hgc s GLU 64 Ca 0.52 -0.49 -0.17 0.00 0.02 0.00 0.00 54.97 54.85 2hgc s GLU 64 Cb -0.11 -1.07 -0.06 0.00 0.10 0.00 0.00 34.13 33.00 2hgc s GLU 64 CO 0.47 0.29 0.48 -0.51 0.02 0.00 0.00 175.26 176.02 2hgc s LEU 65 N -0.32 4.50 0.66 1.80 1.02 -1.26 -0.13 118.68 124.95 2hgc s LEU 65 Ca 0.05 1.10 -0.04 0.00 0.02 0.00 0.00 54.13 55.27 2hgc s LEU 65 Cb -0.05 -2.74 0.06 0.00 0.02 0.00 0.00 46.19 43.48 2hgc s LEU 65 CO -0.01 0.30 0.94 0.42 0.02 0.00 0.00 176.35 178.02 2hgc s THR 66 N -1.10 2.39 0.39 5.49 -4.23 -0.92 -4.89 115.64 112.78 2hgc s THR 66 Ca 0.26 -0.42 0.28 0.00 -1.18 0.00 0.00 61.69 60.63 2hgc s THR 66 Cb -0.18 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 70.99 2hgc s THR 66 CO 0.16 0.00 2.07 -0.33 -0.54 0.00 0.00 174.62 175.98 2hgc h GLU 67 N -0.39 0.00 -0.01 3.99 3.07 -1.91 -0.02 114.58 119.31 2hgc h GLU 67 Ca -0.43 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.44 2hgc h GLU 67 Cb 1.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 2hgc h GLU 67 CO 0.56 0.11 -0.02 -0.22 -1.40 0.00 0.00 179.01 178.04 2hgc h LYS 68 N 0.00 -0.04 -0.20 2.33 3.11 -1.86 0.39 116.57 120.31 2hgc h LYS 68 Ca -0.00 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 2hgc h LYS 68 Cb 0.35 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2hgc h LYS 68 CO 0.01 -0.02 -0.48 0.78 -2.81 0.00 0.00 179.45 176.93 2hgc h GLY 69 N -0.04 0.74 0.97 5.01 0.00 -1.48 -2.19 103.07 106.08 2hgc h GLY 69 Ca 0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 2hgc h GLY 69 CO -0.04 0.81 0.25 -2.09 0.00 0.00 0.00 176.54 175.48 2hgc h GLU 70 N 0.37 0.70 0.00 4.80 4.22 -0.90 -1.60 114.58 122.16 2hgc h GLU 70 Ca -0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.34 2hgc h GLU 70 Cb 1.09 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2hgc h GLU 70 CO 0.10 0.57 -0.00 -0.91 -2.18 0.00 0.00 179.01 176.59 2hgc h ASN 71 N 0.65 0.00 0.89 1.04 -0.26 -0.27 -2.53 115.58 115.09 2hgc h ASN 71 Ca 0.17 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.76 2hgc h ASN 71 Cb 0.09 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2hgc h ASN 71 CO -0.02 0.00 -0.70 0.22 -1.06 0.00 0.00 177.43 175.87 2hgc h TYR 72 N 0.00 0.00 0.00 1.19 3.20 -0.66 -3.19 116.97 117.51 2hgc h TYR 72 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2hgc h TYR 72 Cb 0.65 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2hgc h TYR 72 CO 0.00 0.70 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.00 2hgc h LEU 73 N 0.00 0.00 0.06 2.82 3.38 -0.87 -3.34 115.31 117.36 2hgc h LEU 73 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2hgc h LEU 73 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2hgc h LEU 73 CO 0.09 0.15 -0.26 0.11 0.09 0.00 0.00 178.44 178.62 2hgc h LYS 74 N 0.00 -0.36 0.00 1.13 1.79 -1.59 0.41 116.57 117.96 2hgc h LYS 74 Ca -0.00 0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.32 2hgc h LYS 74 Cb 0.66 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 2hgc h LYS 74 CO 0.02 -0.24 -0.84 0.93 -1.08 0.00 0.00 179.45 178.24 2hgc h GLU 75 N -0.37 0.01 -0.15 3.15 4.39 -1.80 -3.16 114.58 116.65 2hgc h GLU 75 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2hgc h GLU 75 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2hgc h GLU 75 CO -0.14 0.85 0.00 -1.71 -1.16 0.00 0.00 179.01 176.85 2hgc n ASN 76 N -3.55 1.90 -0.06 1.42 4.05 -1.16 -4.39 115.26 113.47 2hgc n ASN 76 Ca -0.01 -1.71 0.25 0.00 0.45 0.00 0.00 54.58 53.56 2hgc n ASN 76 Cb 0.80 -0.09 0.67 0.00 1.23 0.00 0.00 39.78 42.39 2hgc n ASN 76 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2hgc h GLY 77 N 4.91 0.00 0.00 8.20 0.00 -0.87 -3.22 103.07 112.09 2hgc h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hgc h GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.17 2hgc n THR 78 N -3.68 0.00 -0.96 4.70 5.66 -1.26 -5.03 114.28 113.70 2hgc n THR 78 Ca 0.15 0.57 0.13 0.00 -3.05 0.00 0.00 64.05 61.84 2hgc n THR 78 Cb 0.97 -1.32 -0.04 0.00 -1.55 0.00 0.00 70.33 68.39 2hgc n THR 78 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2hgc n TRP 79 N -0.25 -2.46 -3.67 1.09 -0.00 -1.22 -4.95 117.44 105.97 2hgc n TRP 79 Ca 0.00 1.26 -0.14 0.00 -0.00 0.00 0.00 57.50 58.62 2hgc n TRP 79 Cb 0.00 -2.23 -0.13 0.00 -0.00 0.00 0.00 31.31 28.94 2hgc n TRP 79 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2hgc s SER 80 N -5.94 0.33 0.00 5.87 0.01 -1.26 -5.02 113.70 107.68 2hgc s SER 80 Ca 0.00 0.55 0.29 0.00 1.31 0.00 0.00 55.95 58.10 2hgc s SER 80 Cb 0.00 0.61 1.31 0.00 0.21 0.00 0.00 66.02 68.15 2hgc s SER 80 CO 0.00 -0.23 1.95 2.29 0.41 0.00 0.00 173.24 177.66 2hgc n LYS 81 N 5.21 0.14 0.00 12.44 -0.00 -1.26 -5.21 118.16 129.49 2hgc n LYS 81 Ca -0.08 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2hgc n LYS 81 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40