#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhg n ALA 3 N 0.00 2.13 -3.50 7.33 0.00 -1.26 0.50 120.51 125.72 3dhg n ALA 3 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 3dhg n ALA 3 Cb 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.92 3dhg n ALA 3 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3dhg s PHE 4 N -0.63 0.03 0.17 0.00 5.36 0.15 -4.78 117.98 118.28 3dhg s PHE 4 Ca 0.59 -0.56 -0.30 0.00 -0.96 0.00 0.00 56.93 55.70 3dhg s PHE 4 Cb -0.51 -0.72 -0.08 0.00 -0.34 0.00 0.00 43.02 41.37 3dhg s PHE 4 CO 0.57 -0.83 1.10 -1.25 -1.46 0.00 0.00 175.22 173.35 3dhg s PRO 5 N 2.20 4.59 0.17 10.12 0.05 -1.26 0.26 135.00 151.13 3dhg s PRO 5 Ca 0.09 1.71 0.05 0.00 0.05 0.00 0.00 61.00 62.89 3dhg s PRO 5 Cb -0.15 -3.28 -0.05 0.00 0.05 0.00 0.00 34.50 31.07 3dhg s PRO 5 CO -0.33 0.07 -0.09 0.14 0.05 0.00 0.00 177.00 176.85 3dhg s VAL 6 N -0.22 1.22 -0.22 -0.36 -7.23 -0.09 0.07 120.40 113.58 3dhg s VAL 6 Ca 0.49 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 3dhg s VAL 6 Cb -0.29 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 3dhg s VAL 6 CO 0.35 -0.64 0.03 -1.00 -0.31 0.00 0.00 175.10 173.53 3dhg s HIS 7 N -3.30 3.07 -0.07 2.82 3.76 -0.92 -0.88 115.29 119.78 3dhg s HIS 7 Ca 0.20 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 3dhg s HIS 7 Cb 0.03 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.57 3dhg s HIS 7 CO 0.03 -0.26 -0.19 0.00 -0.85 0.00 0.00 174.74 173.47 3dhg s ALA 8 N 1.21 1.73 -0.29 -1.40 0.00 -0.25 -0.70 121.76 122.07 3dhg s ALA 8 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 3dhg s ALA 8 Cb -0.14 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3dhg s ALA 8 CO 0.02 0.24 0.05 0.00 0.00 0.00 0.00 175.76 176.07 3dhg s ALA 9 N 0.32 2.98 0.00 0.00 0.00 -0.06 -1.88 121.76 123.13 3dhg s ALA 9 Ca -0.13 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 3dhg s ALA 9 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 3dhg s ALA 9 CO 0.05 -0.92 0.65 0.12 0.00 0.00 0.00 175.76 175.67 3dhg s PHE 10 N 1.45 3.69 -0.00 0.00 2.19 -1.26 -0.88 117.98 123.17 3dhg s PHE 10 Ca 0.02 1.28 -0.37 0.00 0.33 0.00 0.00 56.93 58.19 3dhg s PHE 10 Cb -0.17 -2.69 -0.15 0.00 -1.31 0.00 0.00 43.02 38.70 3dhg s PHE 10 CO 0.01 0.31 1.54 -1.91 1.83 0.00 0.00 175.22 176.99 3dhg n GLU 11 N 2.84 1.44 -0.34 10.12 2.13 0.57 -1.65 120.64 135.75 3dhg n GLU 11 Ca -0.05 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.29 3dhg n GLU 11 Cb 0.51 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.00 3dhg n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dhg n LYS 12 N 3.79 0.00 -2.33 5.31 5.02 -1.26 -4.99 118.16 123.70 3dhg n LYS 12 Ca 0.20 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.24 3dhg n LYS 12 Cb 0.20 -1.35 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 3dhg n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dhg s ASP 13 N -3.18 4.55 0.00 4.39 -1.08 -0.66 -4.87 116.67 115.82 3dhg s ASP 13 Ca 0.00 0.16 0.18 0.00 -0.52 0.00 0.00 52.55 52.37 3dhg s ASP 13 Cb 0.00 -0.70 -0.12 0.00 -1.46 0.00 0.00 42.92 40.64 3dhg s ASP 13 CO 0.00 -1.74 0.82 2.22 0.52 0.00 0.00 175.17 176.99 3dhg n PHE 14 N -2.92 0.00 -4.24 -5.34 1.16 -1.26 -4.96 117.46 99.90 3dhg n PHE 14 Ca 0.11 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.54 3dhg n PHE 14 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.38 3dhg n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3dhg s LEU 15 N -2.58 1.36 -0.09 5.98 2.34 -1.26 -5.15 118.68 119.28 3dhg s LEU 15 Ca 0.10 -1.47 -0.06 0.00 0.06 0.00 0.00 54.13 52.76 3dhg s LEU 15 Cb 0.14 0.35 -0.04 0.00 -0.56 0.00 0.00 46.19 46.08 3dhg s LEU 15 CO 0.62 -0.87 0.15 -0.69 -1.06 0.00 0.00 176.35 174.49 3dhg s VAL 16 N -3.94 5.44 0.09 1.48 1.01 -1.26 -4.41 120.40 118.80 3dhg s VAL 16 Ca 0.39 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.51 3dhg s VAL 16 Cb 0.06 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3dhg s VAL 16 CO 0.15 0.53 -0.15 -1.10 0.00 0.00 0.00 175.10 174.54 3dhg s GLN 17 N -1.29 0.91 0.06 2.72 -0.21 -0.79 -4.91 119.66 116.14 3dhg s GLN 17 Ca 0.18 -1.06 -0.31 0.00 0.02 0.00 0.00 55.36 54.20 3dhg s GLN 17 Cb -0.12 -0.91 -0.07 0.00 1.00 0.00 0.00 33.01 32.91 3dhg s GLN 17 CO 0.08 0.19 1.51 -1.17 -2.12 0.00 0.00 175.29 173.79 3dhg s LEU 18 N -1.96 4.35 -0.04 2.90 2.96 -1.26 -1.09 118.68 124.53 3dhg s LEU 18 Ca 0.02 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3dhg s LEU 18 Cb -0.09 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3dhg s LEU 18 CO 0.03 -0.78 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.52 3dhg s VAL 19 N 2.19 0.66 -0.31 1.68 1.01 -0.06 -4.95 120.40 120.62 3dhg s VAL 19 Ca 0.68 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 3dhg s VAL 19 Cb -0.36 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3dhg s VAL 19 CO 0.30 0.25 0.33 -0.69 0.00 0.00 0.00 175.10 175.28 3dhg s VAL 20 N 0.76 5.20 0.57 2.92 1.01 -1.26 -0.91 120.40 128.68 3dhg s VAL 20 Ca -0.11 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3dhg s VAL 20 Cb -0.14 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3dhg s VAL 20 CO 0.01 0.03 0.51 0.68 0.00 0.00 0.00 175.10 176.33 3dhg s VAL 21 N 1.96 1.66 -0.05 2.92 -7.23 0.14 -4.88 120.40 114.93 3dhg s VAL 21 Ca 0.11 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3dhg s VAL 21 Cb -0.16 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3dhg s VAL 21 CO 0.11 0.00 0.17 -0.62 -0.31 0.00 0.00 175.10 174.45 3dhg s ASP 22 N -4.40 6.37 0.54 4.85 -1.08 -1.26 0.34 116.67 122.03 3dhg s ASP 22 Ca 0.39 0.39 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 3dhg s ASP 22 Cb -0.03 -2.02 1.44 0.00 -1.46 0.00 0.00 42.92 40.85 3dhg s ASP 22 CO 0.25 0.31 1.96 0.25 0.52 0.00 0.00 175.17 178.46 3dhg h LEU 23 N 4.21 0.00 -2.88 -1.34 5.85 -0.25 -1.85 115.31 119.05 3dhg h LEU 23 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3dhg h LEU 23 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3dhg h LEU 23 CO 0.65 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 179.34 3dhg n ASN 24 N -4.25 3.60 -4.76 1.25 3.02 -1.26 -0.83 115.26 112.01 3dhg n ASN 24 Ca 0.12 -2.10 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 3dhg n ASN 24 Cb 0.71 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3dhg n ASN 24 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3dhg s ASP 25 N -1.04 6.65 0.83 6.41 1.01 -0.70 -4.76 116.67 125.08 3dhg s ASP 25 Ca 0.38 2.75 -0.11 0.00 0.71 0.00 0.00 52.55 56.27 3dhg s ASP 25 Cb 0.21 -2.64 0.09 0.00 1.01 0.00 0.00 42.92 41.59 3dhg s ASP 25 CO 0.23 -0.65 1.09 -0.94 0.21 0.00 0.00 175.17 175.11 3dhg s SER 26 N -0.14 4.05 0.36 0.27 1.04 -1.26 -1.20 113.70 116.83 3dhg s SER 26 Ca 0.53 1.53 0.04 0.00 0.48 0.00 0.00 55.95 58.53 3dhg s SER 26 Cb -0.42 -2.24 0.69 0.00 0.10 0.00 0.00 66.02 64.15 3dhg s SER 26 CO 0.52 -2.28 2.00 0.24 0.98 0.00 0.00 173.24 174.69 3dhg h MET 27 N -1.30 0.78 -0.70 4.02 2.86 -0.70 0.01 114.93 119.89 3dhg h MET 27 Ca -0.47 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.18 3dhg h MET 27 Cb 1.26 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 3dhg h MET 27 CO 0.55 0.52 0.40 -0.44 1.06 0.00 0.00 176.91 179.00 3dhg h ASP 28 N 0.80 0.61 -0.06 1.22 3.32 -1.70 0.13 116.42 120.73 3dhg h ASP 28 Ca 0.26 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 3dhg h ASP 28 Cb 0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3dhg h ASP 28 CO -0.07 0.39 -0.52 1.56 -1.72 0.00 0.00 179.24 178.88 3dhg h GLN 29 N 0.74 0.64 -0.19 3.56 4.20 -1.62 -2.66 115.11 119.79 3dhg h GLN 29 Ca 0.31 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3dhg h GLN 29 Cb 0.18 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3dhg h GLN 29 CO -0.18 1.01 0.09 0.28 -0.67 0.00 0.00 178.83 179.36 3dhg h VAL 30 N 0.50 0.99 -0.63 -0.54 2.07 -0.50 -1.77 116.25 116.37 3dhg h VAL 30 Ca 0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3dhg h VAL 30 Cb 1.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3dhg h VAL 30 CO 0.10 0.04 0.38 0.00 0.02 0.00 0.00 177.57 178.11 3dhg h ALA 31 N 1.10 1.49 -0.23 1.67 0.00 -0.92 -1.40 119.26 120.97 3dhg h ALA 31 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dhg h ALA 31 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dhg h ALA 31 CO -0.06 0.45 -0.02 1.49 0.00 0.00 0.00 179.25 181.11 3dhg h GLU 32 N 0.87 0.42 -0.65 0.00 4.57 -1.20 0.65 114.58 119.22 3dhg h GLU 32 Ca 0.23 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3dhg h GLU 32 Cb -0.04 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3dhg h GLU 32 CO -0.04 0.62 0.33 0.87 -1.18 0.00 0.00 179.01 179.61 3dhg h LYS 33 N 0.18 0.91 -0.12 1.92 1.57 -0.85 -2.50 116.57 117.68 3dhg h LYS 33 Ca 0.06 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3dhg h LYS 33 Cb 0.44 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dhg h LYS 33 CO 0.01 0.69 -0.29 0.28 -0.57 0.00 0.00 179.45 179.58 3dhg h VAL 34 N 0.92 1.38 -0.47 0.50 2.07 -1.14 -3.23 116.25 116.28 3dhg h VAL 34 Ca 0.23 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3dhg h VAL 34 Cb 0.06 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3dhg h VAL 34 CO -0.03 0.47 0.32 0.00 0.02 0.00 0.00 177.57 178.34 3dhg h ALA 35 N 0.52 2.12 -0.18 1.67 0.00 -0.75 -0.09 119.26 122.54 3dhg h ALA 35 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dhg h ALA 35 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dhg h ALA 35 CO 0.06 -0.22 0.12 -0.92 0.00 0.00 0.00 179.25 178.29 3dhg h TYR 36 N 0.24 0.21 -0.21 0.00 3.20 -1.46 0.13 116.97 119.08 3dhg h TYR 36 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3dhg h TYR 36 Cb 0.53 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3dhg h TYR 36 CO -0.00 0.13 0.00 0.72 -1.64 0.00 0.00 178.16 177.37 3dhg n HIS 37 N -4.51 0.28 0.04 -3.82 8.25 -0.05 -4.59 115.22 110.81 3dhg n HIS 37 Ca -0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3dhg n HIS 37 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3dhg n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dhg s VAL 39 N -2.00 3.06 -1.05 0.00 1.01 0.37 -0.91 120.40 120.87 3dhg s VAL 39 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3dhg s VAL 39 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3dhg s VAL 39 CO 0.00 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.72 3dhg n ASN 40 N 4.62 -4.83 0.00 3.32 3.02 0.16 -4.79 115.26 116.76 3dhg n ASN 40 Ca 0.14 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.91 3dhg n ASN 40 Cb 0.41 -3.21 -0.01 0.00 -0.61 0.00 0.00 39.78 36.36 3dhg n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dhg n ARG 41 N -1.86 0.05 -0.06 3.52 1.74 -0.55 -4.92 116.66 114.58 3dhg n ARG 41 Ca -0.10 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3dhg n ARG 41 Cb 0.43 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 3dhg n ARG 41 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3dhg n ARG 42 N -3.24 0.00 -4.69 5.56 1.85 -0.09 -5.06 116.66 110.99 3dhg n ARG 42 Ca -0.04 -0.38 -0.26 0.00 -1.00 0.00 0.00 57.85 56.17 3dhg n ARG 42 Cb 0.40 -0.34 -0.17 0.00 -1.05 0.00 0.00 32.46 31.31 3dhg n ARG 42 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3dhg s VAL 43 N 0.00 1.27 0.37 8.89 1.01 -0.82 -4.81 120.40 126.32 3dhg s VAL 43 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3dhg s VAL 43 Cb 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 3dhg s VAL 43 CO 0.00 0.38 1.24 0.00 0.00 0.00 0.00 175.10 176.72 3dhg s ALA 44 N 0.56 3.30 0.53 5.51 0.00 -1.26 -0.66 121.76 129.73 3dhg s ALA 44 Ca -0.14 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 3dhg s ALA 44 Cb -0.16 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3dhg s ALA 44 CO 0.04 -0.61 1.25 -1.25 0.00 0.00 0.00 175.76 175.20 3dhg s PRO 45 N -2.06 3.32 0.00 0.00 0.04 -1.26 -4.82 135.00 130.22 3dhg s PRO 45 Ca 0.54 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.58 3dhg s PRO 45 Cb -0.35 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 3dhg s PRO 45 CO 0.46 -0.97 -0.09 1.03 0.04 0.00 0.00 177.00 177.47 3dhg s ARG 46 N -2.93 0.73 0.37 4.56 0.52 -1.26 -5.10 118.95 115.84 3dhg s ARG 46 Ca 0.70 -0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 3dhg s ARG 46 Cb -0.34 -0.69 -0.10 0.00 0.52 0.00 0.00 34.95 34.34 3dhg s ARG 46 CO 0.40 0.18 0.93 -1.21 0.02 0.00 0.00 175.30 175.62 3dhg s GLU 47 N -0.43 4.36 0.00 3.54 0.41 -1.26 -4.95 118.70 120.37 3dhg s GLU 47 Ca 0.02 1.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 3dhg s GLU 47 Cb -0.04 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 3dhg s GLU 47 CO -0.00 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.31 3dhg n GLY 48 N -0.07 2.58 3.88 -1.39 0.00 -1.26 -5.07 105.19 103.86 3dhg n GLY 48 Ca 0.04 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3dhg n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dhg s VAL 49 N -1.81 5.47 0.01 1.61 -7.23 -1.26 -5.03 120.40 112.15 3dhg s VAL 49 Ca 0.00 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.21 3dhg s VAL 49 Cb 0.00 -3.44 -0.06 0.00 0.56 0.00 0.00 36.38 33.44 3dhg s VAL 49 CO 0.00 0.58 0.49 -0.04 -0.31 0.00 0.00 175.10 175.82 3dhg s MET 50 N -1.14 4.11 0.20 4.82 -1.94 -1.26 -3.37 119.30 120.72 3dhg s MET 50 Ca 0.17 0.55 0.11 0.00 -1.71 0.00 0.00 55.69 54.81 3dhg s MET 50 Cb -0.12 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 3dhg s MET 50 CO 0.06 0.56 -0.22 1.03 -0.01 0.00 0.00 175.02 176.44 3dhg s ARG 51 N -0.75 1.50 -0.05 2.03 1.81 0.11 -4.84 118.95 118.76 3dhg s ARG 51 Ca 0.26 -1.54 0.06 0.00 -1.72 0.00 0.00 55.73 52.79 3dhg s ARG 51 Cb -0.17 -1.74 -0.01 0.00 -0.45 0.00 0.00 34.95 32.57 3dhg s ARG 51 CO 0.15 0.37 -0.24 0.08 -0.68 0.00 0.00 175.30 174.97 3dhg s VAL 52 N -1.86 1.99 0.09 3.52 1.01 -1.26 -1.30 120.40 122.59 3dhg s VAL 52 Ca 0.21 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3dhg s VAL 52 Cb -0.07 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3dhg s VAL 52 CO 0.10 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.77 3dhg s ARG 53 N -0.23 0.77 0.37 2.72 1.70 -0.79 -0.71 118.95 122.77 3dhg s ARG 53 Ca -0.01 -1.32 -0.28 0.00 -0.47 0.00 0.00 55.73 53.65 3dhg s ARG 53 Cb -0.13 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.38 3dhg s ARG 53 CO 0.03 -0.18 1.40 0.21 -1.08 0.00 0.00 175.30 175.67 3dhg s LYS 54 N -3.98 4.14 -0.04 3.89 2.20 -1.26 -0.53 119.74 124.16 3dhg s LYS 54 Ca 0.15 2.38 -0.39 0.00 -0.36 0.00 0.00 55.97 57.76 3dhg s LYS 54 Cb 0.08 -2.95 -0.17 0.00 -1.51 0.00 0.00 37.83 33.27 3dhg s LYS 54 CO -0.04 -0.43 1.41 1.58 -0.36 0.00 0.00 175.35 177.50 3dhg n HIS 55 N 0.48 1.52 -0.02 4.03 -0.00 -0.36 -0.98 115.22 119.89 3dhg n HIS 55 Ca 0.01 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 3dhg n HIS 55 Cb 0.41 -2.32 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 3dhg n HIS 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dhg n ARG 56 N 3.09 0.00 -2.07 1.57 5.12 -1.26 -4.99 116.66 118.12 3dhg n ARG 56 Ca 0.21 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.78 3dhg n ARG 56 Cb 0.15 -2.03 0.02 0.00 -1.16 0.00 0.00 32.46 29.44 3dhg n ARG 56 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3dhg s SER 57 N -3.57 5.44 0.02 0.55 0.15 -0.15 -4.97 113.70 111.17 3dhg s SER 57 Ca 0.00 2.17 -0.02 0.00 0.70 0.00 0.00 55.95 58.80 3dhg s SER 57 Cb 0.00 -2.58 -0.27 0.00 -1.71 0.00 0.00 66.02 61.46 3dhg s SER 57 CO 0.00 -1.41 0.94 0.71 1.20 0.00 0.00 173.24 174.67 3dhg h THR 58 N 0.81 1.25 -3.48 6.45 1.35 -1.94 -3.47 112.91 113.88 3dhg h THR 58 Ca -0.49 -2.89 -0.53 0.00 -0.55 0.00 0.00 66.41 61.94 3dhg h THR 58 Cb 1.26 2.78 -0.03 0.00 -1.73 0.00 0.00 68.15 70.44 3dhg h THR 58 CO 0.56 0.83 0.22 -1.61 -0.25 0.00 0.00 175.52 175.27 3dhg s GLU 59 N -2.63 4.57 0.07 4.72 8.01 -1.26 -5.07 118.70 127.11 3dhg s GLU 59 Ca -0.07 1.19 -0.13 0.00 0.01 0.00 0.00 54.97 55.97 3dhg s GLU 59 Cb 0.07 -3.36 -0.06 0.00 -4.31 0.00 0.00 34.13 26.48 3dhg s GLU 59 CO 0.85 0.30 0.44 -0.51 0.01 0.00 0.00 175.26 176.35 3dhg s LEU 60 N -0.17 4.40 0.30 1.80 1.43 -1.26 -4.48 118.68 120.70 3dhg s LEU 60 Ca 0.41 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 3dhg s LEU 60 Cb -0.22 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 3dhg s LEU 60 CO 0.25 0.21 1.25 -0.36 0.23 0.00 0.00 176.35 177.94 3dhg s PHE 61 N -1.30 3.21 0.33 0.29 2.99 0.11 -4.98 117.98 118.63 3dhg s PHE 61 Ca 0.31 1.47 -0.27 0.00 0.00 0.00 0.00 56.93 58.43 3dhg s PHE 61 Cb -0.15 -3.57 -0.13 0.00 0.00 0.00 0.00 43.02 39.17 3dhg s PHE 61 CO 0.17 -1.52 1.06 -2.30 -0.00 0.00 0.00 175.22 172.62 3dhg n PRO 62 N 1.11 1.50 -0.24 0.24 -0.02 -1.26 -4.56 135.00 131.76 3dhg n PRO 62 Ca 0.00 0.53 0.19 0.00 -2.02 0.00 0.00 63.50 62.20 3dhg n PRO 62 Cb 0.43 -1.98 0.51 0.00 -0.02 0.00 0.00 33.50 32.44 3dhg n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dhg h ARG 63 N 1.99 0.40 0.00 -0.52 3.08 -1.95 -2.60 114.38 114.77 3dhg h ARG 63 Ca -0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3dhg h ARG 63 Cb 1.33 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dhg h ARG 63 CO 0.60 0.26 -0.78 -0.40 -1.07 0.00 0.00 179.97 178.58 3dhg n ASP 64 N -4.51 0.68 -4.77 7.04 5.75 -1.26 -2.04 116.55 117.44 3dhg n ASP 64 Ca 0.19 -0.47 -0.41 0.00 -0.01 0.00 0.00 54.79 54.09 3dhg n ASP 64 Cb 0.70 0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 41.39 3dhg n ASP 64 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3dhg s MET 65 N -3.05 4.20 0.53 0.11 1.75 -0.98 -4.70 119.30 117.17 3dhg s MET 65 Ca 0.08 2.43 -0.04 0.00 -1.25 0.00 0.00 55.69 56.91 3dhg s MET 65 Cb 0.16 -3.02 -0.01 0.00 2.84 0.00 0.00 34.83 34.81 3dhg s MET 65 CO 0.78 -0.42 0.82 0.95 -0.65 0.00 0.00 175.02 176.49 3dhg s THR 66 N -0.89 4.09 0.20 10.11 -4.23 -1.26 -0.64 115.64 123.01 3dhg s THR 66 Ca 0.53 -0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.90 3dhg s THR 66 Cb -0.44 -3.58 0.12 0.00 1.34 0.00 0.00 72.50 69.94 3dhg s THR 66 CO 0.56 -0.55 1.76 0.40 -0.54 0.00 0.00 174.62 176.26 3dhg h ILE 67 N 0.06 0.85 -0.42 2.99 1.08 -1.22 -1.50 117.51 119.34 3dhg h ILE 67 Ca -0.46 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 63.93 3dhg h ILE 67 Cb 1.24 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 3dhg h ILE 67 CO 0.60 0.08 -0.09 0.00 -0.69 0.00 0.00 178.15 178.05 3dhg h ALA 68 N 1.37 0.29 0.00 1.87 0.00 -1.27 -2.18 119.26 119.33 3dhg h ALA 68 Ca 0.28 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3dhg h ALA 68 Cb 0.28 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3dhg h ALA 68 CO -0.25 -0.44 -0.14 0.93 0.00 0.00 0.00 179.25 179.35 3dhg h GLU 69 N 0.01 0.00 0.00 0.00 5.08 -1.71 -3.32 114.58 114.64 3dhg h GLU 69 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dhg h GLU 69 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dhg h GLU 69 CO -0.42 0.14 -0.07 0.66 -1.00 0.00 0.00 179.01 178.31 3dhg h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.61 -3.47 113.55 115.53 3dhg h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhg h SER 70 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3dhg h SER 70 CO 0.02 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3dhg n GLY 71 N -0.24 1.21 3.75 -0.77 0.00 -1.25 -5.04 105.19 102.85 3dhg n GLY 71 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dhg n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhg s LEU 72 N 0.00 3.80 0.14 0.99 1.43 -1.26 -5.06 118.68 118.72 3dhg s LEU 72 Ca 0.00 2.64 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 3dhg s LEU 72 Cb 0.00 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 3dhg s LEU 72 CO 0.00 -1.57 -0.15 0.20 0.23 0.00 0.00 176.35 175.07 3dhg s ASN 73 N -1.16 4.03 0.26 2.29 0.01 -1.26 -4.92 114.94 114.19 3dhg s ASN 73 Ca 0.73 -0.56 -0.28 0.00 -0.71 0.00 0.00 52.86 52.04 3dhg s ASN 73 Cb -0.37 -0.62 -0.15 0.00 0.41 0.00 0.00 41.25 40.52 3dhg s ASN 73 CO 0.43 0.15 0.85 -2.65 -1.51 0.00 0.00 177.10 174.37 3dhg n PRO 74 N 0.55 0.92 -1.04 -0.60 -0.02 -1.26 -2.14 135.00 131.41 3dhg n PRO 74 Ca -0.14 0.32 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 3dhg n PRO 74 Cb 0.54 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 3dhg n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dhg n THR 75 N 0.13 0.00 -1.84 3.45 -2.24 0.11 -5.01 114.28 108.88 3dhg n THR 75 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 3dhg n THR 75 Cb 0.30 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 67.94 3dhg n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dhg s GLU 76 N -1.31 2.89 -0.19 -0.78 2.02 -0.91 -4.60 118.70 115.83 3dhg s GLU 76 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 54.97 55.41 3dhg s GLU 76 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 3dhg s GLU 76 CO 0.00 -1.03 0.20 0.08 0.02 0.00 0.00 175.26 174.53 3dhg s VAL 77 N -3.30 5.37 0.21 2.63 1.01 -1.26 -2.16 120.40 122.89 3dhg s VAL 77 Ca 0.58 0.33 0.11 0.00 0.00 0.00 0.00 61.98 63.00 3dhg s VAL 77 Cb -0.11 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3dhg s VAL 77 CO 0.52 0.41 -0.22 0.27 0.00 0.00 0.00 175.10 176.09 3dhg s ILE 78 N 0.46 2.26 0.03 2.22 -4.36 0.12 -1.23 121.20 120.71 3dhg s ILE 78 Ca 0.11 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 3dhg s ILE 78 Cb -0.12 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 3dhg s ILE 78 CO 0.01 -0.24 -0.02 -1.81 0.24 0.00 0.00 174.94 173.12 3dhg s ASP 79 N -2.89 4.93 -0.17 4.36 1.01 0.31 -0.88 116.67 123.33 3dhg s ASP 79 Ca 0.22 -0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.38 3dhg s ASP 79 Cb -0.07 -1.20 0.02 0.00 1.01 0.00 0.00 42.92 42.68 3dhg s ASP 79 CO 0.10 0.24 -0.18 -0.69 0.21 0.00 0.00 175.17 174.86 3dhg s VAL 80 N -1.14 1.92 0.08 -1.27 1.01 -0.06 -1.89 120.40 119.06 3dhg s VAL 80 Ca 0.21 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3dhg s VAL 80 Cb -0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3dhg s VAL 80 CO 0.12 0.49 0.01 0.68 0.00 0.00 0.00 175.10 176.40 3dhg s VAL 81 N 1.34 0.18 0.23 2.92 -7.23 -0.42 -0.32 120.40 117.11 3dhg s VAL 81 Ca 0.04 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3dhg s VAL 81 Cb -0.13 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3dhg s VAL 81 CO -0.12 -0.81 0.37 -0.36 -0.31 0.00 0.00 175.10 173.88 3dhg s PHE 82 N -3.96 3.47 -2.00 2.82 0.08 -1.26 0.05 117.98 117.17 3dhg s PHE 82 Ca 0.13 0.10 0.26 0.00 0.12 0.00 0.00 56.93 57.54 3dhg s PHE 82 Cb 0.08 -1.66 1.57 0.00 -0.57 0.00 0.00 43.02 42.43 3dhg s PHE 82 CO -0.06 0.40 1.92 0.39 -0.10 0.00 0.00 175.22 177.77