#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhi s ALA 3 N 0.00 3.70 -0.24 7.33 0.00 -1.26 0.83 121.76 132.11 3dhi s ALA 3 Ca 0.00 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 3dhi s ALA 3 Cb 0.00 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.59 3dhi s ALA 3 CO 0.00 -0.95 0.15 0.12 0.00 0.00 0.00 175.76 175.09 3dhi s PHE 4 N -0.16 0.09 0.13 0.00 5.36 0.93 -4.75 117.98 119.58 3dhi s PHE 4 Ca 0.61 -0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 55.82 3dhi s PHE 4 Cb -0.46 -0.70 -0.07 0.00 -0.34 0.00 0.00 43.02 41.45 3dhi s PHE 4 CO 0.49 -0.71 1.11 -1.25 -1.46 0.00 0.00 175.22 173.40 3dhi s PRO 5 N 2.18 4.55 0.26 10.12 0.04 -1.26 -0.50 135.00 150.39 3dhi s PRO 5 Ca 0.07 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.88 3dhi s PRO 5 Cb -0.16 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3dhi s PRO 5 CO -0.24 -0.02 -0.10 0.14 0.04 0.00 0.00 177.00 176.82 3dhi s VAL 6 N 0.20 1.75 -0.20 -0.36 -7.23 -0.47 -0.02 120.40 114.08 3dhi s VAL 6 Ca 0.52 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3dhi s VAL 6 Cb -0.28 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3dhi s VAL 6 CO 0.33 -0.41 0.02 -1.00 -0.31 0.00 0.00 175.10 173.73 3dhi s HIS 7 N -2.95 3.10 -0.04 2.82 3.76 -0.78 -1.44 115.29 119.75 3dhi s HIS 7 Ca 0.27 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 3dhi s HIS 7 Cb 0.01 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 3dhi s HIS 7 CO 0.10 -0.13 -0.18 0.00 -0.85 0.00 0.00 174.74 173.68 3dhi s ALA 8 N 0.86 1.63 -0.26 -1.40 0.00 0.71 -0.57 121.76 122.72 3dhi s ALA 8 Ca 0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3dhi s ALA 8 Cb -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3dhi s ALA 8 CO 0.02 0.31 0.01 0.00 0.00 0.00 0.00 175.76 176.10 3dhi s ALA 9 N -0.03 2.91 0.04 0.00 0.00 -0.24 -1.18 121.76 123.26 3dhi s ALA 9 Ca -0.03 -1.39 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 3dhi s ALA 9 Cb -0.11 -1.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.03 3dhi s ALA 9 CO 0.02 -0.78 0.56 0.12 0.00 0.00 0.00 175.76 175.69 3dhi s PHE 10 N 1.44 3.76 -0.13 0.00 2.19 -1.26 -1.28 117.98 122.70 3dhi s PHE 10 Ca 0.03 1.22 -0.36 0.00 0.33 0.00 0.00 56.93 58.15 3dhi s PHE 10 Cb -0.16 -2.52 -0.13 0.00 -1.31 0.00 0.00 43.02 38.90 3dhi s PHE 10 CO -0.01 0.51 1.81 -1.91 1.83 0.00 0.00 175.22 177.45 3dhi n GLU 11 N 2.09 1.85 -0.48 10.12 2.13 -0.51 -1.87 120.64 133.96 3dhi n GLU 11 Ca -0.09 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3dhi n GLU 11 Cb 0.51 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.75 3dhi n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dhi n LYS 12 N 5.98 0.00 -1.97 5.31 5.02 -1.26 -5.01 118.16 126.23 3dhi n LYS 12 Ca 0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.24 3dhi n LYS 12 Cb 0.24 -1.57 0.12 0.00 -0.02 0.00 0.00 35.03 33.79 3dhi n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dhi s ASP 13 N -3.16 4.12 0.00 4.39 -1.08 -0.78 -4.88 116.67 115.28 3dhi s ASP 13 Ca 0.00 0.55 0.20 0.00 -0.52 0.00 0.00 52.55 52.78 3dhi s ASP 13 Cb 0.00 -0.92 -0.02 0.00 -1.46 0.00 0.00 42.92 40.52 3dhi s ASP 13 CO 0.00 -2.11 0.98 2.22 0.52 0.00 0.00 175.17 176.78 3dhi n PHE 14 N -3.39 0.00 -4.07 -5.34 1.16 -1.26 -4.95 117.46 99.61 3dhi n PHE 14 Ca 0.10 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.56 3dhi n PHE 14 Cb 0.60 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.42 3dhi n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3dhi s LEU 15 N -2.32 0.81 -0.11 5.98 2.34 -1.26 -5.15 118.68 118.96 3dhi s LEU 15 Ca 0.16 -1.30 -0.03 0.00 0.06 0.00 0.00 54.13 53.02 3dhi s LEU 15 Cb 0.16 1.44 -0.03 0.00 -0.56 0.00 0.00 46.19 47.20 3dhi s LEU 15 CO 0.52 -1.20 -0.01 -0.69 -1.06 0.00 0.00 176.35 173.91 3dhi s VAL 16 N -3.47 4.22 0.12 1.48 1.01 -1.26 -4.32 120.40 118.17 3dhi s VAL 16 Ca 0.29 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3dhi s VAL 16 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3dhi s VAL 16 CO 0.16 0.56 -0.18 -1.10 0.00 0.00 0.00 175.10 174.54 3dhi s GLN 17 N -0.46 1.11 -0.07 2.72 -0.21 -0.32 -4.88 119.66 117.56 3dhi s GLN 17 Ca 0.08 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 3dhi s GLN 17 Cb -0.12 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 3dhi s GLN 17 CO 0.02 0.27 1.37 -1.17 -2.12 0.00 0.00 175.29 173.66 3dhi s LEU 18 N -2.18 4.27 -0.10 2.90 2.96 -1.26 -0.20 118.68 125.06 3dhi s LEU 18 Ca 0.08 1.96 -0.00 0.00 -0.22 0.00 0.00 54.13 55.95 3dhi s LEU 18 Cb -0.08 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3dhi s LEU 18 CO 0.04 -0.74 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.58 3dhi s VAL 19 N 2.96 0.88 -0.38 1.68 1.01 -0.52 -4.96 120.40 121.06 3dhi s VAL 19 Ca 0.61 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 3dhi s VAL 19 Cb -0.28 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3dhi s VAL 19 CO 0.23 0.34 0.51 -0.69 0.00 0.00 0.00 175.10 175.48 3dhi s VAL 20 N 1.66 5.01 0.00 2.92 1.01 -1.26 -1.37 120.40 128.37 3dhi s VAL 20 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3dhi s VAL 20 Cb -0.13 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3dhi s VAL 20 CO -0.06 -0.32 0.00 1.33 0.00 0.00 0.00 175.10 176.05 3dhi n VAL 21 N 5.49 0.00 -4.81 2.92 0.24 0.35 -4.85 118.33 117.66 3dhi n VAL 21 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.93 3dhi n VAL 21 Cb 0.48 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 32.03 3dhi n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dhi s ASP 22 N -0.88 3.86 0.43 -1.34 -1.08 -1.26 -0.05 116.67 116.34 3dhi s ASP 22 Ca 0.00 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 51.93 3dhi s ASP 22 Cb 0.00 -0.70 1.21 0.00 -1.46 0.00 0.00 42.92 41.97 3dhi s ASP 22 CO 0.00 0.30 1.76 0.25 0.52 0.00 0.00 175.17 178.00 3dhi h LEU 23 N 4.95 0.35 -2.02 -1.34 5.85 0.13 -0.73 115.31 122.49 3dhi h LEU 23 Ca -0.47 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3dhi h LEU 23 Cb 1.15 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3dhi h LEU 23 CO 0.49 0.04 0.00 0.59 -0.34 0.00 0.00 178.44 179.22 3dhi n ASN 24 N -4.56 3.03 -4.76 1.25 3.02 -1.26 -1.23 115.26 110.74 3dhi n ASN 24 Ca 0.27 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.47 3dhi n ASN 24 Cb 1.00 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.94 3dhi n ASN 24 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3dhi s ASP 25 N -1.49 6.58 0.79 6.41 1.01 -0.28 -4.75 116.67 124.93 3dhi s ASP 25 Ca 0.37 2.79 -0.11 0.00 0.71 0.00 0.00 52.55 56.31 3dhi s ASP 25 Cb 0.21 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.57 3dhi s ASP 25 CO 0.30 -0.72 1.09 -0.94 0.21 0.00 0.00 175.17 175.11 3dhi s SER 26 N 0.06 4.54 0.32 0.27 1.04 -1.26 -1.08 113.70 117.59 3dhi s SER 26 Ca 0.56 1.41 0.01 0.00 0.48 0.00 0.00 55.95 58.41 3dhi s SER 26 Cb -0.43 -2.17 0.54 0.00 0.10 0.00 0.00 66.02 64.06 3dhi s SER 26 CO 0.50 -1.95 1.91 0.24 0.98 0.00 0.00 173.24 174.93 3dhi h MET 27 N -1.07 0.77 -0.79 4.02 2.86 -0.97 0.13 114.93 119.88 3dhi h MET 27 Ca -0.46 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.14 3dhi h MET 27 Cb 1.26 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 3dhi h MET 27 CO 0.58 0.63 0.47 -0.44 1.06 0.00 0.00 176.91 179.20 3dhi h ASP 28 N 0.77 0.70 -0.26 1.22 3.32 -1.77 0.12 116.42 120.52 3dhi h ASP 28 Ca 0.19 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.07 3dhi h ASP 28 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3dhi h ASP 28 CO -0.02 0.44 -0.60 1.56 -1.72 0.00 0.00 179.24 178.89 3dhi h GLN 29 N 0.83 0.87 0.06 3.56 4.20 -1.54 -2.64 115.11 120.45 3dhi h GLN 29 Ca 0.36 -0.58 0.01 0.00 0.06 0.00 0.00 58.65 58.49 3dhi h GLN 29 Cb 0.23 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3dhi h GLN 29 CO -0.20 1.21 -0.11 0.28 -0.67 0.00 0.00 178.83 179.35 3dhi h VAL 30 N 0.65 0.74 -0.96 -0.54 2.07 -0.49 -1.31 116.25 116.42 3dhi h VAL 30 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3dhi h VAL 30 Cb 1.22 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 3dhi h VAL 30 CO 0.13 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.31 3dhi h ALA 31 N 0.70 1.44 -0.41 1.67 0.00 -0.95 -1.21 119.26 120.50 3dhi h ALA 31 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3dhi h ALA 31 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dhi h ALA 31 CO -0.06 0.15 -0.21 1.49 0.00 0.00 0.00 179.25 180.62 3dhi h GLU 32 N 0.91 0.88 -0.71 0.00 4.57 -1.18 0.18 114.58 119.24 3dhi h GLU 32 Ca 0.48 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3dhi h GLU 32 Cb 0.51 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3dhi h GLU 32 CO -0.28 1.03 0.25 0.87 -1.18 0.00 0.00 179.01 179.71 3dhi h LYS 33 N 0.70 1.06 -0.04 1.92 1.57 -0.21 -2.10 116.57 119.47 3dhi h LYS 33 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3dhi h LYS 33 Cb 0.78 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3dhi h LYS 33 CO 0.06 0.88 -0.02 0.28 -0.57 0.00 0.00 179.45 180.08 3dhi h VAL 34 N 1.03 1.35 -0.91 0.50 2.07 -1.15 -3.21 116.25 115.93 3dhi h VAL 34 Ca 0.23 -1.07 0.24 0.00 0.82 0.00 0.00 66.70 66.92 3dhi h VAL 34 Cb 0.24 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3dhi h VAL 34 CO -0.02 0.29 0.63 0.00 0.02 0.00 0.00 177.57 178.49 3dhi h ALA 35 N 0.58 2.55 -0.96 1.67 0.00 -0.41 0.13 119.26 122.82 3dhi h ALA 35 Ca 0.01 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3dhi h ALA 35 Cb 0.47 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 3dhi h ALA 35 CO 0.01 -0.83 0.61 -0.92 0.00 0.00 0.00 179.25 178.11 3dhi h TYR 36 N 0.19 0.99 -0.36 0.00 3.20 -1.38 0.50 116.97 120.10 3dhi h TYR 36 Ca 0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.36 3dhi h TYR 36 Cb 1.49 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3dhi h TYR 36 CO -0.00 0.35 0.00 0.72 -1.64 0.00 0.00 178.16 177.59 3dhi n HIS 37 N -4.61 0.48 0.08 -3.82 8.25 0.03 -4.55 115.22 111.08 3dhi n HIS 37 Ca 0.19 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3dhi n HIS 37 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3dhi n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dhi s VAL 39 N -2.00 2.59 -0.17 0.00 1.01 0.06 -1.01 120.40 120.89 3dhi s VAL 39 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3dhi s VAL 39 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3dhi s VAL 39 CO 0.00 0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.76 3dhi n ASN 40 N 2.46 -5.22 -0.03 3.32 3.02 0.62 -4.77 115.26 114.67 3dhi n ASN 40 Ca 0.08 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.60 3dhi n ASN 40 Cb 0.40 -2.86 -0.02 0.00 -0.61 0.00 0.00 39.78 36.68 3dhi n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dhi n ARG 41 N -0.26 0.19 0.00 3.52 1.74 -0.41 -4.90 116.66 116.55 3dhi n ARG 41 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3dhi n ARG 41 Cb 0.39 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3dhi n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dhi n ARG 42 N -3.61 1.17 -4.74 5.56 1.74 -0.18 -5.06 116.66 111.54 3dhi n ARG 42 Ca -0.12 -0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.60 3dhi n ARG 42 Cb 0.43 -0.40 -0.17 0.00 -1.02 0.00 0.00 32.46 31.30 3dhi n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dhi s VAL 43 N -0.19 1.44 0.29 1.55 1.01 -0.79 -4.85 120.40 118.87 3dhi s VAL 43 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3dhi s VAL 43 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 3dhi s VAL 43 CO 0.00 0.42 1.32 0.00 0.00 0.00 0.00 175.10 176.84 3dhi s ALA 44 N 0.63 3.52 0.68 5.51 0.00 -1.26 -0.28 121.76 130.56 3dhi s ALA 44 Ca -0.15 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3dhi s ALA 44 Cb -0.16 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3dhi s ALA 44 CO 0.04 -0.61 1.14 -1.25 0.00 0.00 0.00 175.76 175.08 3dhi s PRO 45 N -1.21 2.58 0.16 0.00 0.04 -1.26 -4.83 135.00 130.48 3dhi s PRO 45 Ca 0.52 1.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 3dhi s PRO 45 Cb -0.39 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.28 3dhi s PRO 45 CO 0.48 -1.44 0.50 -0.98 0.04 0.00 0.00 177.00 175.60 3dhi s ARG 46 N -4.02 1.23 0.47 4.56 1.70 -1.26 -5.09 118.95 116.54 3dhi s ARG 46 Ca 0.69 -0.67 -0.21 0.00 -0.47 0.00 0.00 55.73 55.07 3dhi s ARG 46 Cb -0.23 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 3dhi s ARG 46 CO 0.42 -0.52 1.04 -1.21 -1.08 0.00 0.00 175.30 173.96 3dhi s GLU 47 N -3.81 3.86 0.00 3.89 0.41 -1.26 -4.98 118.70 116.81 3dhi s GLU 47 Ca 0.04 1.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.97 3dhi s GLU 47 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 3dhi s GLU 47 CO -0.10 -0.38 0.00 0.41 -0.49 0.00 0.00 175.26 174.70 3dhi n GLY 48 N -0.19 1.74 3.51 -1.39 0.00 -1.26 -5.06 105.19 102.54 3dhi n GLY 48 Ca 0.09 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 3dhi n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhi s VAL 49 N -1.38 4.62 0.09 1.61 1.01 -1.26 -5.01 120.40 120.08 3dhi s VAL 49 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 3dhi s VAL 49 Cb 0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 3dhi s VAL 49 CO 0.00 0.33 1.10 -0.04 0.00 0.00 0.00 175.10 176.50 3dhi s MET 50 N 1.47 4.53 0.19 2.72 -1.94 -1.26 -1.94 119.30 123.07 3dhi s MET 50 Ca 0.06 1.65 0.09 0.00 -1.71 0.00 0.00 55.69 55.78 3dhi s MET 50 Cb -0.15 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 3dhi s MET 50 CO 0.05 -0.08 -0.18 1.03 -0.01 0.00 0.00 175.02 175.83 3dhi s ARG 51 N 0.55 1.36 -0.04 2.03 1.81 0.21 -4.84 118.95 120.02 3dhi s ARG 51 Ca 0.54 -1.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.10 3dhi s ARG 51 Cb -0.27 -1.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.82 3dhi s ARG 51 CO 0.31 0.27 -0.20 0.08 -0.68 0.00 0.00 175.30 175.07 3dhi s VAL 52 N -2.26 2.52 0.03 3.52 1.01 -1.26 -0.81 120.40 123.15 3dhi s VAL 52 Ca 0.19 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3dhi s VAL 52 Cb -0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3dhi s VAL 52 CO 0.08 0.58 0.07 0.00 0.00 0.00 0.00 175.10 175.84 3dhi s ARG 53 N -0.57 0.55 0.46 2.72 1.70 -0.76 -0.91 118.95 122.14 3dhi s ARG 53 Ca 0.08 -0.75 -0.25 0.00 -0.47 0.00 0.00 55.73 54.35 3dhi s ARG 53 Cb -0.11 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.40 3dhi s ARG 53 CO 0.00 -0.13 1.34 1.63 -1.08 0.00 0.00 175.30 177.06 3dhi n LYS 54 N 0.86 2.00 -1.60 3.89 5.02 -1.26 -0.86 118.16 126.21 3dhi n LYS 54 Ca -0.19 0.72 -0.52 0.00 -2.02 0.00 0.00 58.31 56.30 3dhi n LYS 54 Cb 0.58 -2.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.03 3dhi n LYS 54 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3dhi n HIS 55 N -0.37 1.56 -0.79 2.13 -0.00 -0.37 -1.17 115.22 116.21 3dhi n HIS 55 Ca 0.07 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 3dhi n HIS 55 Cb 0.41 -2.34 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 3dhi n HIS 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dhi n ARG 56 N 2.57 -0.49 -1.22 1.57 5.12 -1.26 -4.98 116.66 117.97 3dhi n ARG 56 Ca 0.18 0.12 -0.30 0.00 -1.93 0.00 0.00 57.85 55.92 3dhi n ARG 56 Cb 0.20 -4.01 0.12 0.00 -1.16 0.00 0.00 32.46 27.61 3dhi n ARG 56 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3dhi s SER 57 N -2.21 3.97 -0.22 0.55 0.01 -0.31 -5.00 113.70 110.48 3dhi s SER 57 Ca 0.00 1.67 -0.06 0.00 1.31 0.00 0.00 55.95 58.87 3dhi s SER 57 Cb 0.00 -2.36 -0.19 0.00 0.21 0.00 0.00 66.02 63.69 3dhi s SER 57 CO 0.00 -2.35 -0.05 0.35 0.41 0.00 0.00 173.24 171.60 3dhi n THR 58 N -3.71 1.58 -2.35 1.44 -2.24 -1.26 -4.95 114.28 102.78 3dhi n THR 58 Ca 0.08 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3dhi n THR 58 Cb 0.54 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.08 3dhi n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dhi s GLU 59 N -2.51 4.44 0.13 -0.78 0.41 -1.26 -5.03 118.70 114.10 3dhi s GLU 59 Ca -0.32 1.87 -0.07 0.00 -0.41 0.00 0.00 54.97 56.04 3dhi s GLU 59 Cb 0.09 -3.28 -0.06 0.00 -1.78 0.00 0.00 34.13 29.10 3dhi s GLU 59 CO 0.62 -0.22 0.41 -0.51 -0.49 0.00 0.00 175.26 175.08 3dhi s LEU 60 N 0.50 4.28 0.35 1.80 1.43 -1.26 -4.50 118.68 121.28 3dhi s LEU 60 Ca 0.57 0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 54.13 3dhi s LEU 60 Cb -0.32 -3.25 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3dhi s LEU 60 CO 0.33 0.08 1.01 -0.36 0.23 0.00 0.00 176.35 177.63 3dhi s PHE 61 N -1.59 3.49 0.57 0.29 0.40 -0.09 -5.01 117.98 116.05 3dhi s PHE 61 Ca 0.39 1.71 -0.21 0.00 -0.60 0.00 0.00 56.93 58.23 3dhi s PHE 61 Cb -0.13 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 3dhi s PHE 61 CO 0.22 -0.25 1.27 -2.30 0.70 0.00 0.00 175.22 174.85 3dhi n PRO 62 N 0.38 1.44 -0.10 0.24 -0.02 -1.26 -4.60 135.00 131.07 3dhi n PRO 62 Ca 0.03 0.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3dhi n PRO 62 Cb 0.49 -2.47 0.37 0.00 -0.02 0.00 0.00 33.50 31.87 3dhi n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dhi h ARG 63 N 1.12 0.67 0.00 -0.52 3.08 -1.96 -2.78 114.38 113.98 3dhi h ARG 63 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3dhi h ARG 63 Cb 1.32 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3dhi h ARG 63 CO 0.55 0.45 -0.37 0.38 -1.07 0.00 0.00 179.97 179.90 3dhi h ASP 64 N 0.69 0.00 -3.77 7.04 2.03 -1.97 -2.57 116.42 117.87 3dhi h ASP 64 Ca 0.23 -0.03 -0.53 0.00 -0.73 0.00 0.00 57.03 55.97 3dhi h ASP 64 Cb 0.07 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 38.65 3dhi h ASP 64 CO -0.06 0.02 0.72 -0.32 -1.03 0.00 0.00 179.24 178.56 3dhi s MET 65 N -3.23 4.25 0.46 4.15 1.75 -1.05 -4.72 119.30 120.92 3dhi s MET 65 Ca 0.05 2.36 -0.03 0.00 -1.25 0.00 0.00 55.69 56.82 3dhi s MET 65 Cb 0.09 -3.05 -0.02 0.00 2.84 0.00 0.00 34.83 34.69 3dhi s MET 65 CO 0.70 -0.36 0.73 0.95 -0.65 0.00 0.00 175.02 176.39 3dhi s THR 66 N -0.86 4.58 0.19 10.11 -4.23 -1.26 -1.27 115.64 122.92 3dhi s THR 66 Ca 0.53 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 3dhi s THR 66 Cb -0.43 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 69.82 3dhi s THR 66 CO 0.54 -0.63 1.69 0.40 -0.54 0.00 0.00 174.62 176.08 3dhi h ILE 67 N 0.30 0.63 -0.83 2.99 1.08 -1.14 -0.99 117.51 119.56 3dhi h ILE 67 Ca -0.47 -0.06 0.12 0.00 -0.39 0.00 0.00 64.86 64.06 3dhi h ILE 67 Cb 1.22 0.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.33 3dhi h ILE 67 CO 0.61 0.03 0.44 0.00 -0.69 0.00 0.00 178.15 178.54 3dhi h ALA 68 N 1.45 1.21 0.00 1.87 0.00 -1.46 -2.17 119.26 120.16 3dhi h ALA 68 Ca 0.27 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3dhi h ALA 68 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dhi h ALA 68 CO -0.40 -0.02 -0.34 0.93 0.00 0.00 0.00 179.25 179.42 3dhi h GLU 69 N 0.68 0.00 0.00 0.00 5.08 -1.59 -3.32 114.58 115.43 3dhi h GLU 69 Ca 0.43 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.71 3dhi h GLU 69 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3dhi h GLU 69 CO -0.31 0.34 -0.35 0.66 -1.00 0.00 0.00 179.01 178.36 3dhi h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.53 -3.47 113.55 115.61 3dhi h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhi h SER 70 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3dhi h SER 70 CO 0.04 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3dhi n GLY 71 N -0.03 0.86 3.77 -0.77 0.00 -1.24 -5.04 105.19 102.74 3dhi n GLY 71 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3dhi n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhi s LEU 72 N 0.00 4.19 0.09 0.99 1.43 -1.26 -5.03 118.68 119.08 3dhi s LEU 72 Ca 0.00 2.89 -0.00 0.00 -1.03 0.00 0.00 54.13 55.99 3dhi s LEU 72 Cb 0.00 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 3dhi s LEU 72 CO 0.00 -1.02 0.24 0.20 0.23 0.00 0.00 176.35 176.00 3dhi s ASN 73 N -0.47 6.37 0.35 2.29 0.01 -1.26 -4.96 114.94 117.27 3dhi s ASN 73 Ca 0.58 0.29 -0.27 0.00 -0.71 0.00 0.00 52.86 52.75 3dhi s ASN 73 Cb -0.43 -1.97 -0.12 0.00 0.41 0.00 0.00 41.25 39.14 3dhi s ASN 73 CO 0.56 0.13 1.22 -2.65 -1.51 0.00 0.00 177.10 174.85 3dhi n PRO 74 N 0.11 1.92 -0.95 -0.60 -0.02 -1.26 -2.06 135.00 132.12 3dhi n PRO 74 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dhi n PRO 74 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3dhi n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dhi n THR 75 N 0.20 0.00 -1.45 3.45 -2.24 0.97 -5.02 114.28 110.20 3dhi n THR 75 Ca 0.06 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 3dhi n THR 75 Cb 0.36 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 3dhi n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dhi s GLU 76 N -0.54 2.52 -0.14 -0.78 2.02 -0.88 -4.50 118.70 116.41 3dhi s GLU 76 Ca 0.00 1.18 -0.14 0.00 0.02 0.00 0.00 54.97 56.04 3dhi s GLU 76 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 3dhi s GLU 76 CO 0.00 -1.44 0.30 0.08 0.02 0.00 0.00 175.26 174.22 3dhi s VAL 77 N -2.79 5.28 0.17 2.63 1.01 -1.26 -1.87 120.40 123.58 3dhi s VAL 77 Ca 0.62 0.57 0.10 0.00 0.00 0.00 0.00 61.98 63.27 3dhi s VAL 77 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3dhi s VAL 77 CO 0.52 0.43 -0.22 0.27 0.00 0.00 0.00 175.10 176.09 3dhi s ILE 78 N 0.18 2.10 0.07 2.22 -4.36 0.26 -1.24 121.20 120.44 3dhi s ILE 78 Ca 0.18 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 3dhi s ILE 78 Cb -0.13 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3dhi s ILE 78 CO 0.05 -0.15 0.07 -1.81 0.24 0.00 0.00 174.94 173.34 3dhi s ASP 79 N -2.52 5.49 -0.22 4.36 1.01 -0.04 -1.08 116.67 123.68 3dhi s ASP 79 Ca 0.17 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.42 3dhi s ASP 79 Cb -0.08 -1.47 0.03 0.00 1.01 0.00 0.00 42.92 42.41 3dhi s ASP 79 CO 0.08 0.18 -0.14 -0.69 0.21 0.00 0.00 175.17 174.81 3dhi s VAL 80 N -1.36 2.36 0.28 -1.27 1.01 -0.40 -1.83 120.40 119.19 3dhi s VAL 80 Ca 0.28 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3dhi s VAL 80 Cb -0.12 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3dhi s VAL 80 CO 0.21 0.33 0.06 0.68 0.00 0.00 0.00 175.10 176.38 3dhi s VAL 81 N 1.27 0.94 -0.12 2.92 -7.23 0.01 -1.43 120.40 116.76 3dhi s VAL 81 Ca 0.01 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3dhi s VAL 81 Cb -0.15 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 3dhi s VAL 81 CO -0.09 -0.06 0.24 -0.36 -0.31 0.00 0.00 175.10 174.52 3dhi s PHE 82 N -3.48 3.56 -2.46 2.82 0.08 -1.26 0.64 117.98 117.87 3dhi s PHE 82 Ca 0.36 0.62 0.28 0.00 0.12 0.00 0.00 56.93 58.31 3dhi s PHE 82 Cb 0.08 -2.16 1.11 0.00 -0.57 0.00 0.00 43.02 41.48 3dhi s PHE 82 CO 0.14 0.52 1.78 -0.85 -0.10 0.00 0.00 175.22 176.70