#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 0.37 -3.58 7.33 0.00 -1.26 -0.66 120.51 122.70 3dhg n ALA 3 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 53.44 53.60 3dhg n ALA 3 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.10 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 0.17 0.46 0.17 0.00 2.19 0.26 -4.79 117.98 116.44 3dhg s PHE 4 Ca 0.74 -0.85 -0.30 0.00 0.33 0.00 0.00 56.93 56.85 3dhg s PHE 4 Cb -0.75 -0.94 -0.08 0.00 -1.31 0.00 0.00 43.02 39.94 3dhg s PHE 4 CO 0.48 -0.76 1.23 -1.25 1.83 0.00 0.00 175.22 176.75 3dhg s PRO 5 N 2.05 4.45 0.14 10.12 0.04 -1.26 -0.61 135.00 149.93 3dhg s PRO 5 Ca 0.07 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.11 3dhg s PRO 5 Cb -0.16 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 3dhg s PRO 5 CO -0.29 -0.16 -0.18 0.14 0.04 0.00 0.00 177.00 176.55 3dhg s VAL 6 N 0.15 1.71 -0.23 -0.36 -7.23 -0.14 -0.76 120.40 113.53 3dhg s VAL 6 Ca 0.55 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 3dhg s VAL 6 Cb -0.33 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3dhg s VAL 6 CO 0.36 -0.26 0.39 -1.00 -0.31 0.00 0.00 175.10 174.27 3dhg s HIS 7 N -1.82 3.32 -0.08 2.82 3.76 -0.89 -0.90 115.29 121.49 3dhg s HIS 7 Ca 0.12 0.53 0.05 0.00 -0.15 0.00 0.00 55.06 55.60 3dhg s HIS 7 Cb -0.07 -2.55 -0.00 0.00 1.11 0.00 0.00 32.58 31.07 3dhg s HIS 7 CO 0.05 -0.11 -0.24 0.00 -0.85 0.00 0.00 174.74 173.60 3dhg s ALA 8 N 1.66 2.10 -0.25 -1.40 0.00 0.39 -1.00 121.76 123.25 3dhg s ALA 8 Ca 0.17 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3dhg s ALA 8 Cb -0.15 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3dhg s ALA 8 CO 0.09 0.33 0.03 0.00 0.00 0.00 0.00 175.76 176.21 3dhg s ALA 9 N 0.15 3.01 -0.11 0.00 0.00 0.35 -1.32 121.76 123.84 3dhg s ALA 9 Ca -0.12 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 3dhg s ALA 9 Cb -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3dhg s ALA 9 CO 0.06 -0.57 0.51 0.12 0.00 0.00 0.00 175.76 175.88 3dhg s PHE 10 N 1.54 3.53 -0.25 0.00 5.36 -1.26 -1.07 117.98 125.82 3dhg s PHE 10 Ca 0.05 0.95 -0.43 0.00 -0.96 0.00 0.00 56.93 56.55 3dhg s PHE 10 Cb -0.15 -2.59 -0.19 0.00 -0.34 0.00 0.00 43.02 39.75 3dhg s PHE 10 CO 0.01 0.16 1.44 -1.91 -1.46 0.00 0.00 175.22 173.46 3dhg n GLU 11 N 3.66 0.31 -0.91 10.12 2.13 0.14 -1.34 120.64 134.75 3dhg n GLU 11 Ca -0.06 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3dhg n GLU 11 Cb 0.52 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 3.32 -0.02 -2.00 5.31 5.02 -1.26 -5.00 118.16 123.53 3dhg n LYS 12 Ca 0.26 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 3dhg n LYS 12 Cb 0.04 -2.91 0.07 0.00 -0.02 0.00 0.00 35.03 32.21 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 -2.77 4.93 0.00 4.39 -1.08 -0.45 -4.88 116.67 116.81 3dhg s ASP 13 Ca 0.00 0.82 0.24 0.00 -0.52 0.00 0.00 52.55 53.08 3dhg s ASP 13 Cb 0.00 -1.47 0.21 0.00 -1.46 0.00 0.00 42.92 40.20 3dhg s ASP 13 CO 0.00 -1.61 1.23 2.22 0.52 0.00 0.00 175.17 177.53 3dhg n PHE 14 N -3.09 0.00 -4.07 -5.34 1.16 -1.26 -4.94 117.46 99.92 3dhg n PHE 14 Ca 0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.51 3dhg n PHE 14 Cb 0.59 -0.02 -0.04 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.40 0.91 -0.15 5.98 2.34 -1.26 -5.14 118.68 118.96 3dhg s LEU 15 Ca 0.22 -1.42 -0.05 0.00 0.06 0.00 0.00 54.13 52.94 3dhg s LEU 15 Cb 0.19 1.53 -0.03 0.00 -0.56 0.00 0.00 46.19 47.31 3dhg s LEU 15 CO 0.52 -1.29 0.01 -0.69 -1.06 0.00 0.00 176.35 173.83 3dhg s VAL 16 N -3.12 4.33 0.16 1.48 1.01 -1.26 -4.28 120.40 118.71 3dhg s VAL 16 Ca 0.29 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3dhg s VAL 16 Cb -0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3dhg s VAL 16 CO 0.19 0.51 -0.23 -1.10 0.00 0.00 0.00 175.10 174.47 3dhg s GLN 17 N 0.06 1.37 -0.03 2.72 -0.21 -0.44 -4.88 119.66 118.25 3dhg s GLN 17 Ca 0.03 -1.39 -0.30 0.00 0.02 0.00 0.00 55.36 53.71 3dhg s GLN 17 Cb -0.13 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 3dhg s GLN 17 CO 0.02 0.37 1.17 -1.17 -2.12 0.00 0.00 175.29 173.56 3dhg s LEU 18 N -2.38 4.31 -0.06 2.90 2.96 -1.26 -0.46 118.68 124.68 3dhg s LEU 18 Ca 0.15 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.90 3dhg s LEU 18 Cb -0.08 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3dhg s LEU 18 CO 0.07 -0.52 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.83 3dhg s VAL 19 N 1.83 0.73 -0.33 1.68 1.01 -0.08 -4.95 120.40 120.28 3dhg s VAL 19 Ca 0.56 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 3dhg s VAL 19 Cb -0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3dhg s VAL 19 CO 0.24 0.28 0.40 -0.69 0.00 0.00 0.00 175.10 175.33 3dhg s VAL 20 N 1.11 5.13 0.41 2.92 1.01 -1.26 -0.96 120.40 128.76 3dhg s VAL 20 Ca -0.07 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3dhg s VAL 20 Cb -0.14 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3dhg s VAL 20 CO -0.01 -0.08 0.27 1.33 0.00 0.00 0.00 175.10 176.61 3dhg n VAL 21 N 5.27 0.00 -4.52 2.92 0.24 0.22 -4.90 118.33 117.56 3dhg n VAL 21 Ca -0.08 -1.68 -0.32 0.00 -2.04 0.00 0.00 64.34 60.22 3dhg n VAL 21 Cb 0.49 -0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.68 3dhg n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dhg s ASP 22 N -3.41 4.43 0.53 -1.34 2.15 -1.26 0.89 116.67 118.67 3dhg s ASP 22 Ca 0.20 -0.20 0.25 0.00 0.43 0.00 0.00 52.55 53.24 3dhg s ASP 22 Cb -0.02 -0.98 1.39 0.00 -0.30 0.00 0.00 42.92 43.02 3dhg s ASP 22 CO 0.13 0.28 1.98 0.25 -0.17 0.00 0.00 175.17 177.65 3dhg h LEU 23 N 4.59 0.02 -2.37 -1.34 5.85 -1.20 -1.89 115.31 118.97 3dhg h LEU 23 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3dhg h LEU 23 Cb 1.16 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3dhg h LEU 23 CO 0.52 0.01 0.00 0.59 -0.34 0.00 0.00 178.44 179.22 3dhg n ASN 24 N -4.37 3.41 -4.77 1.25 3.02 -1.26 -0.28 115.26 112.25 3dhg n ASN 24 Ca 0.11 -1.97 -0.40 0.00 -0.03 0.00 0.00 54.58 52.28 3dhg n ASN 24 Cb 0.64 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.38 6.45 0.71 6.41 1.01 -0.71 -4.77 116.67 124.39 3dhg s ASP 25 Ca 0.37 2.84 -0.11 0.00 0.71 0.00 0.00 52.55 56.37 3dhg s ASP 25 Cb 0.22 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.51 3dhg s ASP 25 CO 0.30 -0.77 1.06 -0.94 0.21 0.00 0.00 175.17 175.03 3dhg s SER 26 N -0.40 5.31 0.37 0.27 1.04 -1.26 -0.96 113.70 118.06 3dhg s SER 26 Ca 0.53 1.55 0.07 0.00 0.48 0.00 0.00 55.95 58.58 3dhg s SER 26 Cb -0.42 -2.41 0.79 0.00 0.10 0.00 0.00 66.02 64.07 3dhg s SER 26 CO 0.56 -1.48 1.94 0.24 0.98 0.00 0.00 173.24 175.49 3dhg h MET 27 N -0.74 0.69 -0.36 4.02 2.86 -1.16 0.12 114.93 120.35 3dhg h MET 27 Ca -0.44 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 3dhg h MET 27 Cb 1.22 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3dhg h MET 27 CO 0.58 0.45 0.14 -0.44 1.06 0.00 0.00 176.91 178.70 3dhg h ASP 28 N 0.71 0.16 -0.32 1.22 3.32 -1.74 -0.05 116.42 119.73 3dhg h ASP 28 Ca 0.34 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 3dhg h ASP 28 Cb 0.39 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3dhg h ASP 28 CO -0.12 0.13 -0.19 1.56 -1.72 0.00 0.00 179.24 178.90 3dhg h GLN 29 N 0.30 0.79 0.07 3.56 4.20 -1.54 -2.60 115.11 119.89 3dhg h GLN 29 Ca 0.16 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3dhg h GLN 29 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3dhg h GLN 29 CO -0.16 0.91 -0.05 0.28 -0.67 0.00 0.00 178.83 179.14 3dhg h VAL 30 N 0.69 0.88 -0.71 -0.54 2.07 -0.40 -2.09 116.25 116.15 3dhg h VAL 30 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3dhg h VAL 30 Cb 0.69 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3dhg h VAL 30 CO 0.05 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.00 3dhg h ALA 31 N 0.79 0.98 -0.57 1.67 0.00 -0.97 -0.91 119.26 120.25 3dhg h ALA 31 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dhg h ALA 31 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dhg h ALA 31 CO -0.00 -0.03 0.22 0.93 0.00 0.00 0.00 179.25 180.37 3dhg h GLU 32 N 0.62 0.86 -0.78 0.00 4.39 -1.36 0.79 114.58 119.10 3dhg h GLU 32 Ca 0.35 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 3dhg h GLU 32 Cb 0.34 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3dhg h GLU 32 CO -0.26 0.75 0.37 0.87 -1.16 0.00 0.00 179.01 179.59 3dhg h LYS 33 N 0.79 1.12 -0.25 2.33 1.57 -0.64 -2.25 116.57 119.24 3dhg h LYS 33 Ca 0.19 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3dhg h LYS 33 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3dhg h LYS 33 CO -0.01 0.86 -0.10 0.28 -0.57 0.00 0.00 179.45 179.91 3dhg h VAL 34 N 1.11 1.29 -0.70 0.50 2.07 -1.06 -3.26 116.25 116.20 3dhg h VAL 34 Ca 0.27 -1.15 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3dhg h VAL 34 Cb 0.11 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3dhg h VAL 34 CO -0.03 0.36 0.47 0.00 0.02 0.00 0.00 177.57 178.38 3dhg h ALA 35 N 0.74 1.99 -0.97 1.67 0.00 -0.63 -1.12 119.26 120.93 3dhg h ALA 35 Ca 0.06 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.13 3dhg h ALA 35 Cb 0.59 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3dhg h ALA 35 CO 0.03 -0.15 0.58 -0.92 0.00 0.00 0.00 179.25 178.79 3dhg h TYR 36 N 0.49 1.03 -0.12 0.00 3.20 -1.45 0.34 116.97 120.46 3dhg h TYR 36 Ca 0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3dhg h TYR 36 Cb 0.63 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3dhg h TYR 36 CO -0.00 0.28 0.00 0.72 -1.64 0.00 0.00 178.16 177.52 3dhg n HIS 37 N -4.75 0.15 0.05 -3.82 8.25 -0.43 -4.56 115.22 110.11 3dhg n HIS 37 Ca 0.21 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3dhg n HIS 37 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 2.93 -0.17 0.00 1.01 -0.03 -1.24 120.40 120.89 3dhg s VAL 39 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3dhg s VAL 39 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3dhg s VAL 39 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.75 3dhg n ASN 40 N 3.70 -4.93 -0.01 3.32 3.02 -0.20 -4.80 115.26 115.36 3dhg n ASN 40 Ca 0.12 0.04 -0.04 0.00 -0.03 0.00 0.00 54.58 54.66 3dhg n ASN 40 Cb 0.40 -2.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.99 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 -0.65 0.23 0.00 3.52 1.74 -0.67 -4.90 116.66 115.93 3dhg n ARG 41 Ca -0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3dhg n ARG 41 Cb 0.34 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3dhg n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dhg n ARG 42 N -3.90 0.82 -4.61 5.56 1.74 -0.37 -5.07 116.66 110.84 3dhg n ARG 42 Ca -0.07 -0.16 -0.23 0.00 -0.77 0.00 0.00 57.85 56.61 3dhg n ARG 42 Cb 0.24 -0.58 -0.16 0.00 -1.02 0.00 0.00 32.46 30.95 3dhg n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dhg s VAL 43 N -0.16 1.11 0.24 1.55 1.01 -0.85 -4.85 120.40 118.46 3dhg s VAL 43 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3dhg s VAL 43 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3dhg s VAL 43 CO 0.00 0.33 1.37 0.00 0.00 0.00 0.00 175.10 176.81 3dhg s ALA 44 N 0.23 3.57 0.59 5.51 0.00 -1.26 -1.04 121.76 129.36 3dhg s ALA 44 Ca -0.06 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.95 3dhg s ALA 44 Cb -0.11 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3dhg s ALA 44 CO 0.02 -0.65 1.26 -1.25 0.00 0.00 0.00 175.76 175.14 3dhg s PRO 45 N -0.51 2.95 0.16 0.00 0.04 -1.26 -4.85 135.00 131.53 3dhg s PRO 45 Ca 0.57 1.99 -0.23 0.00 0.04 0.00 0.00 61.00 63.37 3dhg s PRO 45 Cb -0.40 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.20 3dhg s PRO 45 CO 0.43 -1.27 0.60 -0.98 0.04 0.00 0.00 177.00 175.82 3dhg s ARG 46 N -3.20 1.28 0.48 4.56 1.04 -1.26 -5.10 118.95 116.75 3dhg s ARG 46 Ca 0.77 -0.47 -0.22 0.00 -1.04 0.00 0.00 55.73 54.77 3dhg s ARG 46 Cb -0.35 0.59 -0.07 0.00 -2.04 0.00 0.00 34.95 33.08 3dhg s ARG 46 CO 0.38 -0.56 1.11 -1.21 -0.04 0.00 0.00 175.30 174.98 3dhg s GLU 47 N -3.75 3.72 0.00 3.89 8.01 -1.26 -4.96 118.70 124.35 3dhg s GLU 47 Ca 0.01 1.59 0.00 0.00 0.01 0.00 0.00 54.97 56.58 3dhg s GLU 47 Cb -0.01 -2.25 0.00 0.00 -4.31 0.00 0.00 34.13 27.56 3dhg s GLU 47 CO -0.13 -0.54 0.00 0.41 0.01 0.00 0.00 175.26 175.01 3dhg n GLY 48 N 0.19 4.38 3.67 -1.39 0.00 -1.26 -5.07 105.19 105.71 3dhg n GLY 48 Ca 0.09 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 3dhg n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhg s VAL 49 N -2.04 5.18 0.11 1.61 1.01 -1.26 -5.06 120.40 119.95 3dhg s VAL 49 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 3dhg s VAL 49 Cb 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 3dhg s VAL 49 CO 0.00 0.23 1.06 -0.04 0.00 0.00 0.00 175.10 176.35 3dhg s MET 50 N 1.41 4.59 0.14 2.72 -1.94 -1.26 -4.44 119.30 120.52 3dhg s MET 50 Ca 0.20 1.60 0.08 0.00 -1.71 0.00 0.00 55.69 55.86 3dhg s MET 50 Cb -0.15 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 3dhg s MET 50 CO 0.08 0.04 -0.18 1.03 -0.01 0.00 0.00 175.02 175.98 3dhg s ARG 51 N 0.20 1.20 -0.06 2.03 1.81 0.13 -4.84 118.95 119.42 3dhg s ARG 51 Ca 0.51 -1.31 0.02 0.00 -1.72 0.00 0.00 55.73 53.23 3dhg s ARG 51 Cb -0.26 -1.29 -0.03 0.00 -0.45 0.00 0.00 34.95 32.92 3dhg s ARG 51 CO 0.31 0.27 -0.11 0.08 -0.68 0.00 0.00 175.30 175.17 3dhg s VAL 52 N -1.79 3.33 0.03 3.52 1.01 -1.26 -1.44 120.40 123.80 3dhg s VAL 52 Ca 0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3dhg s VAL 52 Cb -0.07 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3dhg s VAL 52 CO 0.05 0.59 0.04 0.00 0.00 0.00 0.00 175.10 175.78 3dhg s ARG 53 N -0.75 0.50 0.43 2.72 1.70 -0.81 -0.25 118.95 122.49 3dhg s ARG 53 Ca 0.11 -0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 54.36 3dhg s ARG 53 Cb -0.11 0.19 -0.10 0.00 -0.57 0.00 0.00 34.95 34.36 3dhg s ARG 53 CO 0.01 -0.11 1.10 1.63 -1.08 0.00 0.00 175.30 176.85 3dhg n LYS 54 N 0.95 1.51 -1.66 3.89 5.02 -1.26 -0.66 118.16 125.95 3dhg n LYS 54 Ca -0.20 0.54 -0.51 0.00 -2.02 0.00 0.00 58.31 56.12 3dhg n LYS 54 Cb 0.58 -2.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 3dhg n LYS 54 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3dhg n HIS 55 N -0.47 1.99 -0.44 2.13 -0.00 -0.37 -1.75 115.22 116.31 3dhg n HIS 55 Ca 0.09 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 3dhg n HIS 55 Cb 0.40 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 3dhg n HIS 55 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 3dhg n ARG 56 N 4.18 -1.05 -1.16 1.57 1.85 -1.26 -4.98 116.66 115.81 3dhg n ARG 56 Ca 0.21 0.15 -0.32 0.00 -1.00 0.00 0.00 57.85 56.89 3dhg n ARG 56 Cb 0.22 -3.50 0.11 0.00 -1.05 0.00 0.00 32.46 28.24 3dhg n ARG 56 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3dhg s SER 57 N -1.15 4.05 0.11 2.89 1.04 -0.72 -4.95 113.70 114.97 3dhg s SER 57 Ca 0.00 2.01 0.18 0.00 0.48 0.00 0.00 55.95 58.63 3dhg s SER 57 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3dhg s SER 57 CO 0.00 -2.35 0.92 0.71 0.98 0.00 0.00 173.24 173.51 3dhg h THR 58 N -1.14 0.38 -3.37 2.02 1.35 -1.93 -3.46 112.91 106.76 3dhg h THR 58 Ca -0.44 -1.73 -0.57 0.00 -0.55 0.00 0.00 66.41 63.11 3dhg h THR 58 Cb 1.25 1.91 -0.07 0.00 -1.73 0.00 0.00 68.15 69.51 3dhg h THR 58 CO 0.48 0.22 0.08 -1.61 -0.25 0.00 0.00 175.52 174.44 3dhg s GLU 59 N -3.04 4.35 0.34 4.72 8.01 -1.26 -5.06 118.70 126.75 3dhg s GLU 59 Ca -0.02 0.74 -0.18 0.00 0.01 0.00 0.00 54.97 55.52 3dhg s GLU 59 Cb 0.09 -3.49 -0.09 0.00 -4.31 0.00 0.00 34.13 26.32 3dhg s GLU 59 CO 0.80 -0.03 0.81 -0.51 0.01 0.00 0.00 175.26 176.34 3dhg s LEU 60 N 1.17 4.10 0.25 1.80 1.02 -1.26 -4.48 118.68 121.27 3dhg s LEU 60 Ca 0.33 1.46 -0.30 0.00 0.02 0.00 0.00 54.13 55.64 3dhg s LEU 60 Cb -0.17 -4.12 -0.09 0.00 0.02 0.00 0.00 46.19 41.83 3dhg s LEU 60 CO 0.14 -0.20 0.95 -0.36 0.02 0.00 0.00 176.35 176.90 3dhg s PHE 61 N -1.93 3.95 0.59 0.29 0.08 0.66 -4.99 117.98 116.62 3dhg s PHE 61 Ca 0.54 1.90 -0.20 0.00 0.12 0.00 0.00 56.93 59.29 3dhg s PHE 61 Cb -0.12 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 3dhg s PHE 61 CO 0.17 0.38 1.30 -2.30 -0.10 0.00 0.00 175.22 174.67 3dhg n PRO 62 N 1.42 1.39 0.20 0.24 -0.02 -1.26 -4.57 135.00 132.40 3dhg n PRO 62 Ca -0.02 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3dhg n PRO 62 Cb 0.47 -2.52 0.70 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.99 0.00 -0.10 -0.52 3.08 -1.96 -2.76 114.38 113.11 3dhg h ARG 63 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3dhg h ARG 63 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3dhg h ARG 63 CO 0.55 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.05 3dhg n ASP 64 N -4.37 2.31 -4.77 7.04 5.68 -1.26 -2.13 116.55 119.05 3dhg n ASP 64 Ca 0.01 -1.64 -0.40 0.00 -0.50 0.00 0.00 54.79 52.25 3dhg n ASP 64 Cb 0.24 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 3dhg n ASP 64 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3dhg s MET 65 N -1.09 4.14 0.43 0.11 1.75 -1.04 -4.77 119.30 118.82 3dhg s MET 65 Ca 0.18 2.19 -0.03 0.00 -1.25 0.00 0.00 55.69 56.77 3dhg s MET 65 Cb 0.12 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.86 3dhg s MET 65 CO 0.17 -0.36 0.70 0.95 -0.65 0.00 0.00 175.02 175.83 3dhg s THR 66 N -1.21 4.98 0.19 10.11 -4.23 -1.26 -1.46 115.64 122.75 3dhg s THR 66 Ca 0.53 -0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 3dhg s THR 66 Cb -0.39 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.74 3dhg s THR 66 CO 0.51 -0.73 1.61 0.40 -0.54 0.00 0.00 174.62 175.87 3dhg h ILE 67 N 0.45 0.30 -0.85 2.99 1.08 -1.06 -1.34 117.51 119.09 3dhg h ILE 67 Ca -0.48 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.13 3dhg h ILE 67 Cb 1.21 0.30 -0.09 0.00 -3.07 0.00 0.00 36.82 35.17 3dhg h ILE 67 CO 0.62 0.00 0.45 0.00 -0.69 0.00 0.00 178.15 178.53 3dhg h ALA 68 N 1.22 1.27 0.00 1.87 0.00 -0.93 -2.15 119.26 120.54 3dhg h ALA 68 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dhg h ALA 68 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dhg h ALA 68 CO -0.60 -0.06 0.00 0.93 0.00 0.00 0.00 179.25 179.52 3dhg h GLU 69 N 0.66 0.00 0.00 0.00 5.08 -1.63 -3.34 114.58 115.35 3dhg h GLU 69 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3dhg h GLU 69 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3dhg h GLU 69 CO -0.34 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.33 3dhg h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.58 -3.47 113.55 115.57 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3dhg h SER 70 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dhg n GLY 71 N -0.07 1.32 3.70 -0.77 0.00 -1.25 -5.03 105.19 103.09 3dhg n GLY 71 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3dhg n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhg n LEU 72 N 0.00 5.41 -4.50 0.99 4.77 -1.26 -5.05 117.00 117.37 3dhg n LEU 72 Ca 0.00 0.78 -0.27 0.00 -0.03 0.00 0.00 56.01 56.49 3dhg n LEU 72 Cb 0.00 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.46 3dhg n LEU 72 CO 0.00 -1.26 -0.47 0.20 -1.33 0.00 0.00 177.39 174.53 3dhg s ASN 73 N -1.47 3.84 0.30 -1.43 0.01 -1.26 -4.95 114.94 109.99 3dhg s ASN 73 Ca 0.80 -0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 51.95 3dhg s ASN 73 Cb -0.37 -0.49 -0.12 0.00 0.41 0.00 0.00 41.25 40.68 3dhg s ASN 73 CO 0.43 0.12 1.43 -2.65 -1.51 0.00 0.00 177.10 174.92 3dhg n PRO 74 N 0.22 2.32 -1.00 -0.60 -0.02 -1.26 -2.19 135.00 132.48 3dhg n PRO 74 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dhg n PRO 74 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.30 0.00 -1.52 3.45 -2.24 0.06 -5.02 114.28 110.30 3dhg n THR 75 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 3dhg n THR 75 Cb 0.35 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.48 2.24 -0.15 -0.78 2.02 -0.93 -4.55 118.70 116.06 3dhg s GLU 76 Ca 0.00 0.75 -0.08 0.00 0.02 0.00 0.00 54.97 55.66 3dhg s GLU 76 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 3dhg s GLU 76 CO 0.00 -1.54 0.11 0.08 0.02 0.00 0.00 175.26 173.93 3dhg s VAL 77 N -3.10 5.24 0.18 2.63 1.01 -1.26 -2.09 120.40 123.00 3dhg s VAL 77 Ca 0.60 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.79 3dhg s VAL 77 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3dhg s VAL 77 CO 0.55 0.53 -0.18 0.27 0.00 0.00 0.00 175.10 176.27 3dhg s ILE 78 N -0.33 1.87 0.01 2.22 -4.36 -0.17 -1.24 121.20 119.21 3dhg s ILE 78 Ca 0.10 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3dhg s ILE 78 Cb -0.12 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3dhg s ILE 78 CO 0.01 -0.35 0.04 -1.81 0.24 0.00 0.00 174.94 173.07 3dhg s ASP 79 N -2.80 5.37 -0.18 4.36 1.01 0.16 -0.49 116.67 124.09 3dhg s ASP 79 Ca 0.18 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.48 3dhg s ASP 79 Cb -0.05 -1.46 0.01 0.00 1.01 0.00 0.00 42.92 42.44 3dhg s ASP 79 CO 0.07 0.26 -0.18 -0.69 0.21 0.00 0.00 175.17 174.85 3dhg s VAL 80 N -1.17 2.25 0.13 -1.27 1.01 -0.23 -1.93 120.40 119.20 3dhg s VAL 80 Ca 0.22 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3dhg s VAL 80 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3dhg s VAL 80 CO 0.13 0.52 0.02 0.68 0.00 0.00 0.00 175.10 176.46 3dhg s VAL 81 N 1.27 0.32 -2.54 2.92 -7.23 -0.52 -0.69 120.40 113.94 3dhg s VAL 81 Ca 0.04 -1.92 0.20 0.00 -1.81 0.00 0.00 61.98 58.49 3dhg s VAL 81 Cb -0.13 -2.00 0.16 0.00 0.56 0.00 0.00 36.38 34.97 3dhg s VAL 81 CO -0.11 -0.54 1.14 0.49 -0.31 0.00 0.00 175.10 175.77