#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ge8 n ALA 3 N 0.00 0.83 -3.69 -1.46 0.00 -1.26 -0.25 120.51 114.68 3ge8 n ALA 3 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 3ge8 n ALA 3 Cb 0.00 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.02 3ge8 n ALA 3 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ge8 s PHE 4 N 0.65 1.23 -0.07 0.00 5.36 0.33 -4.73 117.98 120.75 3ge8 s PHE 4 Ca 0.78 -1.32 -0.30 0.00 -0.96 0.00 0.00 56.93 55.13 3ge8 s PHE 4 Cb -0.73 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 3ge8 s PHE 4 CO 0.42 -0.80 1.39 -1.25 -1.46 0.00 0.00 175.22 173.52 3ge8 s PRO 5 N 1.78 4.25 0.27 10.12 0.04 -1.26 0.04 135.00 150.24 3ge8 s PRO 5 Ca 0.07 1.89 0.10 0.00 0.04 0.00 0.00 61.00 63.10 3ge8 s PRO 5 Cb -0.17 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 3ge8 s PRO 5 CO -0.23 -0.66 -0.17 0.14 0.04 0.00 0.00 177.00 176.13 3ge8 s VAL 6 N 3.05 2.24 -0.29 -0.36 -7.23 -0.91 0.78 120.40 117.69 3ge8 s VAL 6 Ca 0.62 -2.33 -0.10 0.00 -1.81 0.00 0.00 61.98 58.36 3ge8 s VAL 6 Cb -0.28 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3ge8 s VAL 6 CO 0.23 -0.41 0.17 -1.00 -0.31 0.00 0.00 175.10 173.77 3ge8 s HIS 7 N -2.65 3.19 -0.04 2.82 3.76 -0.56 -1.38 115.29 120.42 3ge8 s HIS 7 Ca 0.29 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.12 3ge8 s HIS 7 Cb -0.03 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 3ge8 s HIS 7 CO 0.13 -0.27 -0.20 0.00 -0.85 0.00 0.00 174.74 173.55 3ge8 s ALA 8 N 1.70 2.41 -0.25 -1.40 0.00 0.83 -0.64 121.76 124.42 3ge8 s ALA 8 Ca 0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3ge8 s ALA 8 Cb -0.16 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3ge8 s ALA 8 CO 0.09 0.54 -0.04 0.00 0.00 0.00 0.00 175.76 176.34 3ge8 s ALA 9 N -0.64 2.77 -0.01 0.00 0.00 0.05 -1.08 121.76 122.85 3ge8 s ALA 9 Ca 0.10 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 3ge8 s ALA 9 Cb -0.10 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 3ge8 s ALA 9 CO -0.00 -0.74 0.52 0.12 0.00 0.00 0.00 175.76 175.66 3ge8 s PHE 10 N 1.38 3.69 -0.43 0.00 2.19 -1.26 -1.66 117.98 121.89 3ge8 s PHE 10 Ca 0.02 1.10 -0.44 0.00 0.33 0.00 0.00 56.93 57.94 3ge8 s PHE 10 Cb -0.16 -2.49 -0.18 0.00 -1.31 0.00 0.00 43.02 38.87 3ge8 s PHE 10 CO -0.03 0.44 1.74 -1.91 1.83 0.00 0.00 175.22 177.29 3ge8 n GLU 11 N 2.46 0.38 -0.24 10.12 2.13 -0.19 -1.37 120.64 133.93 3ge8 n GLU 11 Ca -0.09 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3ge8 n GLU 11 Cb 0.51 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.50 3ge8 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3ge8 n LYS 12 N 5.06 0.00 -1.57 5.31 5.02 -1.26 -5.01 118.16 125.71 3ge8 n LYS 12 Ca 0.33 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 3ge8 n LYS 12 Cb 0.01 -1.44 0.13 0.00 -0.02 0.00 0.00 35.03 33.71 3ge8 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ge8 s ASP 13 N -3.41 3.63 0.00 4.39 2.15 -0.47 -4.91 116.67 118.04 3ge8 s ASP 13 Ca 0.00 0.96 0.21 0.00 0.43 0.00 0.00 52.55 54.15 3ge8 s ASP 13 Cb 0.00 -1.54 -0.13 0.00 -0.30 0.00 0.00 42.92 40.95 3ge8 s ASP 13 CO 0.00 -2.48 0.95 2.22 -0.17 0.00 0.00 175.17 175.69 3ge8 n PHE 14 N -3.72 0.00 -4.23 -5.34 1.16 -1.26 -4.94 117.46 99.13 3ge8 n PHE 14 Ca 0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.47 3ge8 n PHE 14 Cb 0.59 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.39 3ge8 n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3ge8 s LEU 15 N -2.73 1.52 -0.14 5.98 2.34 -1.26 -5.15 118.68 119.24 3ge8 s LEU 15 Ca 0.12 -1.65 -0.02 0.00 0.06 0.00 0.00 54.13 52.63 3ge8 s LEU 15 Cb 0.16 0.72 -0.02 0.00 -0.56 0.00 0.00 46.19 46.49 3ge8 s LEU 15 CO 0.71 -1.08 -0.07 -0.69 -1.06 0.00 0.00 176.35 174.16 3ge8 s VAL 16 N -3.47 3.61 0.22 1.48 1.01 -1.26 -4.38 120.40 117.61 3ge8 s VAL 16 Ca 0.38 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3ge8 s VAL 16 Cb 0.02 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3ge8 s VAL 16 CO 0.24 0.51 -0.05 -1.10 0.00 0.00 0.00 175.10 174.70 3ge8 s GLN 17 N 0.30 2.20 -0.13 2.72 -0.21 -0.24 -4.87 119.66 119.43 3ge8 s GLN 17 Ca -0.06 -1.31 -0.29 0.00 0.02 0.00 0.00 55.36 53.72 3ge8 s GLN 17 Cb -0.15 -2.19 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 3ge8 s GLN 17 CO 0.04 0.41 1.27 -1.17 -2.12 0.00 0.00 175.29 173.72 3ge8 s LEU 18 N -3.20 4.21 -0.15 2.90 2.96 -1.26 -0.12 118.68 124.03 3ge8 s LEU 18 Ca 0.28 1.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 3ge8 s LEU 18 Cb -0.08 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3ge8 s LEU 18 CO 0.18 -0.73 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.63 3ge8 s VAL 19 N 3.24 1.63 -0.33 1.68 1.01 -0.48 -4.95 120.40 122.19 3ge8 s VAL 19 Ca 0.56 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3ge8 s VAL 19 Cb -0.23 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3ge8 s VAL 19 CO 0.17 0.47 0.67 -0.69 0.00 0.00 0.00 175.10 175.72 3ge8 s VAL 20 N 1.37 4.88 0.00 2.92 1.01 -1.26 -2.13 120.40 127.18 3ge8 s VAL 20 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3ge8 s VAL 20 Cb -0.13 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3ge8 s VAL 20 CO -0.09 -0.25 0.00 1.33 0.00 0.00 0.00 175.10 176.08 3ge8 n VAL 21 N 5.53 0.00 -4.81 2.92 0.24 0.11 -4.84 118.33 117.48 3ge8 n VAL 21 Ca -0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 3ge8 n VAL 21 Cb 0.49 -0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 32.18 3ge8 n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ge8 s ASP 22 N -0.76 4.10 0.34 -1.34 -1.08 -1.26 0.12 116.67 116.79 3ge8 s ASP 22 Ca 0.00 -0.23 0.21 0.00 -0.52 0.00 0.00 52.55 52.01 3ge8 s ASP 22 Cb 0.00 -1.22 1.21 0.00 -1.46 0.00 0.00 42.92 41.46 3ge8 s ASP 22 CO 0.00 0.27 1.37 -0.11 0.52 0.00 0.00 175.17 177.21 3ge8 n LEU 23 N 2.84 0.27 -1.45 -1.34 7.94 0.66 -0.90 117.00 125.02 3ge8 n LEU 23 Ca -0.18 1.37 0.09 0.00 -1.11 0.00 0.00 56.01 56.18 3ge8 n LEU 23 Cb 0.52 -0.67 0.33 0.00 0.53 0.00 0.00 43.42 44.14 3ge8 n LEU 23 CO 0.28 -1.52 0.79 0.59 -1.11 0.00 0.00 177.39 176.42 3ge8 n ASN 24 N -4.80 4.59 -4.76 1.96 3.02 -1.26 -0.42 115.26 113.60 3ge8 n ASN 24 Ca 0.34 -2.52 -0.41 0.00 -0.03 0.00 0.00 54.58 51.96 3ge8 n ASN 24 Cb 1.20 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 3ge8 n ASN 24 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ge8 s ASP 25 N -1.03 7.00 0.82 6.41 1.01 -0.08 -4.74 116.67 126.06 3ge8 s ASP 25 Ca 0.48 2.46 -0.11 0.00 0.71 0.00 0.00 52.55 56.09 3ge8 s ASP 25 Cb 0.32 -2.63 0.08 0.00 1.01 0.00 0.00 42.92 41.70 3ge8 s ASP 25 CO 0.21 -0.37 1.09 -0.94 0.21 0.00 0.00 175.17 175.37 3ge8 s SER 26 N -0.51 4.13 0.45 0.27 1.04 -1.26 -0.26 113.70 117.56 3ge8 s SER 26 Ca 0.48 1.62 0.14 0.00 0.48 0.00 0.00 55.95 58.67 3ge8 s SER 26 Cb -0.36 -2.33 1.00 0.00 0.10 0.00 0.00 66.02 64.44 3ge8 s SER 26 CO 0.46 -2.24 2.00 0.24 0.98 0.00 0.00 173.24 174.67 3ge8 h MET 27 N -1.27 0.02 -0.59 4.02 2.86 -0.91 -1.35 114.93 117.70 3ge8 h MET 27 Ca -0.46 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 3ge8 h MET 27 Cb 1.25 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 3ge8 h MET 27 CO 0.54 0.18 0.11 -0.44 1.06 0.00 0.00 176.91 178.36 3ge8 h ASP 28 N 0.01 0.90 -0.07 1.22 3.32 -1.72 -0.99 116.42 119.10 3ge8 h ASP 28 Ca 0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 3ge8 h ASP 28 Cb 0.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ge8 h ASP 28 CO 0.02 0.90 -0.37 1.56 -1.72 0.00 0.00 179.24 179.63 3ge8 h GLN 29 N 0.90 0.37 -0.44 3.56 4.20 -1.64 -2.37 115.11 119.69 3ge8 h GLN 29 Ca 0.19 -0.31 0.08 0.00 0.06 0.00 0.00 58.65 58.67 3ge8 h GLN 29 Cb 0.38 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 3ge8 h GLN 29 CO 0.01 0.95 -0.39 0.28 -0.67 0.00 0.00 178.83 179.00 3ge8 h VAL 30 N -0.11 0.15 -0.70 -0.54 2.07 -1.31 -0.67 116.25 115.14 3ge8 h VAL 30 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 3ge8 h VAL 30 Cb 1.02 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 3ge8 h VAL 30 CO 0.08 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.83 3ge8 h ALA 31 N 0.59 0.89 -0.57 1.67 0.00 -1.17 -0.75 119.26 119.92 3ge8 h ALA 31 Ca 0.16 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3ge8 h ALA 31 Cb 0.57 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ge8 h ALA 31 CO -0.59 -0.32 0.04 1.49 0.00 0.00 0.00 179.25 179.88 3ge8 h GLU 32 N 0.28 0.94 -0.29 0.00 4.57 -1.05 -0.97 114.58 118.05 3ge8 h GLU 32 Ca 0.39 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 3ge8 h GLU 32 Cb 0.63 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3ge8 h GLU 32 CO -0.48 0.90 -0.29 0.87 -1.18 0.00 0.00 179.01 178.84 3ge8 h LYS 33 N 0.88 0.60 -0.16 1.92 1.57 0.12 -2.13 116.57 119.37 3ge8 h LYS 33 Ca 0.17 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3ge8 h LYS 33 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3ge8 h LYS 33 CO 0.02 0.83 -0.02 0.28 -0.57 0.00 0.00 179.45 179.99 3ge8 h VAL 34 N 0.52 1.27 -0.52 0.50 2.07 -1.11 -3.29 116.25 115.69 3ge8 h VAL 34 Ca 0.07 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3ge8 h VAL 34 Cb 0.77 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3ge8 h VAL 34 CO 0.06 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.27 3ge8 h ALA 35 N 0.74 1.65 -1.00 1.67 0.00 -1.01 0.01 119.26 121.32 3ge8 h ALA 35 Ca 0.04 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.14 3ge8 h ALA 35 Cb 0.43 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 3ge8 h ALA 35 CO 0.01 0.31 0.62 -0.92 0.00 0.00 0.00 179.25 179.27 3ge8 h TYR 36 N 0.68 0.90 -0.38 0.00 3.20 -1.45 0.20 116.97 120.12 3ge8 h TYR 36 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3ge8 h TYR 36 Cb -0.04 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.96 3ge8 h TYR 36 CO -0.00 0.16 0.00 0.72 -1.64 0.00 0.00 178.16 177.40 3ge8 n HIS 37 N -4.72 0.80 0.11 -3.82 8.25 -0.01 -4.64 115.22 111.19 3ge8 n HIS 37 Ca 0.24 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3ge8 n HIS 37 Cb 0.68 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3ge8 n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ge8 s VAL 39 N -2.00 2.43 0.00 0.00 1.01 -0.49 -0.96 120.40 120.39 3ge8 s VAL 39 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3ge8 s VAL 39 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3ge8 s VAL 39 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.75 3ge8 n ASN 40 N 2.01 -1.44 -0.06 3.32 3.02 0.11 -4.78 115.26 117.44 3ge8 n ASN 40 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 3ge8 n ASN 40 Cb 0.39 -1.94 -0.04 0.00 -0.61 0.00 0.00 39.78 37.58 3ge8 n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ge8 n ARG 41 N -1.51 0.37 0.00 3.52 1.74 -0.14 -4.88 116.66 115.76 3ge8 n ARG 41 Ca 0.00 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3ge8 n ARG 41 Cb 0.10 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3ge8 n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ge8 n ARG 42 N -3.99 1.11 -4.36 5.56 1.74 -0.32 -5.06 116.66 111.34 3ge8 n ARG 42 Ca -0.22 -0.10 -0.25 0.00 -0.77 0.00 0.00 57.85 56.52 3ge8 n ARG 42 Cb 0.53 -0.46 -0.17 0.00 -1.02 0.00 0.00 32.46 31.35 3ge8 n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ge8 s VAL 43 N -0.19 1.03 0.25 1.55 1.01 -0.81 -4.85 120.40 118.39 3ge8 s VAL 43 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3ge8 s VAL 43 Cb 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3ge8 s VAL 43 CO 0.00 0.34 1.20 0.00 0.00 0.00 0.00 175.10 176.64 3ge8 s ALA 44 N 0.95 3.45 0.58 5.51 0.00 -1.26 0.08 121.76 131.07 3ge8 s ALA 44 Ca -0.09 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3ge8 s ALA 44 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3ge8 s ALA 44 CO 0.00 -0.38 1.20 -1.25 0.00 0.00 0.00 175.76 175.34 3ge8 s PRO 45 N -0.92 3.05 0.10 0.00 0.04 -1.26 -4.83 135.00 131.18 3ge8 s PRO 45 Ca 0.50 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 3ge8 s PRO 45 Cb -0.34 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3ge8 s PRO 45 CO 0.41 -1.14 0.17 -0.98 0.04 0.00 0.00 177.00 175.51 3ge8 s ARG 46 N -3.29 0.89 0.48 4.56 1.70 -1.26 -5.10 118.95 116.93 3ge8 s ARG 46 Ca 0.76 -1.07 -0.22 0.00 -0.47 0.00 0.00 55.73 54.74 3ge8 s ARG 46 Cb -0.30 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.33 3ge8 s ARG 46 CO 0.33 -0.28 1.12 -1.21 -1.08 0.00 0.00 175.30 174.18 3ge8 s GLU 47 N -3.90 3.70 0.00 3.89 0.41 -1.26 -4.99 118.70 116.54 3ge8 s GLU 47 Ca 0.09 1.65 0.00 0.00 -0.41 0.00 0.00 54.97 56.30 3ge8 s GLU 47 Cb 0.05 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3ge8 s GLU 47 CO -0.08 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 174.53 3ge8 n GLY 48 N 0.27 2.07 3.64 -1.39 0.00 -1.26 -5.07 105.19 103.45 3ge8 n GLY 48 Ca 0.08 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 3ge8 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ge8 s VAL 49 N -1.50 5.17 -0.13 1.61 1.01 -1.26 -5.03 120.40 120.27 3ge8 s VAL 49 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3ge8 s VAL 49 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3ge8 s VAL 49 CO 0.00 0.37 1.04 -0.04 0.00 0.00 0.00 175.10 176.47 3ge8 s MET 50 N 0.95 4.37 0.31 2.72 -1.94 -1.26 -2.50 119.30 121.95 3ge8 s MET 50 Ca 0.07 1.42 0.11 0.00 -1.71 0.00 0.00 55.69 55.57 3ge8 s MET 50 Cb -0.13 -3.57 -0.06 0.00 2.01 0.00 0.00 34.83 33.08 3ge8 s MET 50 CO 0.03 -0.41 -0.15 1.03 -0.01 0.00 0.00 175.02 175.52 3ge8 s ARG 51 N 2.35 1.77 -0.05 2.03 1.81 0.12 -4.80 118.95 122.18 3ge8 s ARG 51 Ca 0.48 -1.82 0.06 0.00 -1.72 0.00 0.00 55.73 52.74 3ge8 s ARG 51 Cb -0.18 -1.77 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 3ge8 s ARG 51 CO 0.15 0.25 -0.24 0.08 -0.68 0.00 0.00 175.30 174.86 3ge8 s VAL 52 N -2.54 2.14 0.05 3.52 1.01 -1.26 -0.52 120.40 122.81 3ge8 s VAL 52 Ca 0.31 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3ge8 s VAL 52 Cb -0.02 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3ge8 s VAL 52 CO 0.16 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.84 3ge8 s ARG 53 N -0.31 0.62 0.44 2.72 1.70 -0.49 -0.70 118.95 122.94 3ge8 s ARG 53 Ca 0.01 -1.13 -0.25 0.00 -0.47 0.00 0.00 55.73 53.89 3ge8 s ARG 53 Cb -0.13 0.22 -0.09 0.00 -0.57 0.00 0.00 34.95 34.39 3ge8 s ARG 53 CO 0.02 -0.13 1.24 1.63 -1.08 0.00 0.00 175.30 176.98 3ge8 n LYS 54 N 0.20 1.80 -1.63 3.89 5.02 -1.26 -0.81 118.16 125.37 3ge8 n LYS 54 Ca -0.15 0.65 -0.55 0.00 -2.02 0.00 0.00 58.31 56.23 3ge8 n LYS 54 Cb 0.61 -2.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.19 3ge8 n LYS 54 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3ge8 n HIS 55 N -0.39 1.63 -0.83 2.13 -0.00 0.57 -1.33 115.22 117.00 3ge8 n HIS 55 Ca 0.08 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.46 3ge8 n HIS 55 Cb 0.40 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 3ge8 n HIS 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3ge8 n ARG 56 N 3.47 -0.05 -2.06 1.57 5.12 -1.26 -4.97 116.66 118.47 3ge8 n ARG 56 Ca 0.22 0.01 -0.32 0.00 -1.93 0.00 0.00 57.85 55.83 3ge8 n ARG 56 Cb 0.15 -3.27 0.00 0.00 -1.16 0.00 0.00 32.46 28.18 3ge8 n ARG 56 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3ge8 s SER 57 N -2.59 6.11 -0.07 0.55 0.15 -0.44 -5.00 113.70 112.41 3ge8 s SER 57 Ca 0.00 1.62 -0.17 0.00 0.70 0.00 0.00 55.95 58.10 3ge8 s SER 57 Cb 0.00 -2.51 -0.30 0.00 -1.71 0.00 0.00 66.02 61.51 3ge8 s SER 57 CO 0.00 -0.95 0.71 0.71 1.20 0.00 0.00 173.24 174.92 3ge8 h THR 58 N 0.26 1.18 -3.45 6.45 1.35 -1.93 -3.47 112.91 113.30 3ge8 h THR 58 Ca -0.46 -2.48 -0.54 0.00 -0.55 0.00 0.00 66.41 62.38 3ge8 h THR 58 Cb 1.20 2.89 -0.03 0.00 -1.73 0.00 0.00 68.15 70.48 3ge8 h THR 58 CO 0.60 0.74 0.32 -1.61 -0.25 0.00 0.00 175.52 175.31 3ge8 s GLU 59 N -2.49 4.58 0.31 4.72 0.41 -1.26 -5.04 118.70 119.94 3ge8 s GLU 59 Ca -0.16 1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 55.52 3ge8 s GLU 59 Cb 0.03 -3.43 -0.09 0.00 -1.78 0.00 0.00 34.13 28.86 3ge8 s GLU 59 CO 0.81 0.07 0.85 -0.51 -0.49 0.00 0.00 175.26 176.00 3ge8 s LEU 60 N 0.59 4.23 0.36 1.80 1.43 -1.26 -4.47 118.68 121.36 3ge8 s LEU 60 Ca 0.48 1.61 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 3ge8 s LEU 60 Cb -0.21 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 3ge8 s LEU 60 CO 0.27 -0.11 1.08 -0.36 0.23 0.00 0.00 176.35 177.46 3ge8 s PHE 61 N -1.74 3.34 0.27 0.29 0.40 0.12 -5.00 117.98 115.66 3ge8 s PHE 61 Ca 0.51 1.65 -0.29 0.00 -0.60 0.00 0.00 56.93 58.19 3ge8 s PHE 61 Cb -0.15 -3.22 -0.14 0.00 0.51 0.00 0.00 43.02 40.02 3ge8 s PHE 61 CO 0.20 -0.71 1.18 -2.30 0.70 0.00 0.00 175.22 174.29 3ge8 n PRO 62 N 0.35 1.65 -0.17 0.24 -0.02 -1.26 -4.62 135.00 131.16 3ge8 n PRO 62 Ca 0.03 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3ge8 n PRO 62 Cb 0.48 -2.08 0.49 0.00 -0.02 0.00 0.00 33.50 32.37 3ge8 n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ge8 h ARG 63 N 2.82 0.43 0.00 -0.52 3.08 -1.96 -1.46 114.38 116.77 3ge8 h ARG 63 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3ge8 h ARG 63 Cb 1.31 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ge8 h ARG 63 CO 0.66 0.29 -0.70 -0.40 -1.07 0.00 0.00 179.97 178.74 3ge8 n ASP 64 N -4.49 0.63 -4.76 7.04 5.75 -1.26 -2.03 116.55 117.44 3ge8 n ASP 64 Ca 0.15 -0.38 -0.38 0.00 -0.01 0.00 0.00 54.79 54.17 3ge8 n ASP 64 Cb 0.52 0.50 0.02 0.00 -1.03 0.00 0.00 41.12 41.12 3ge8 n ASP 64 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3ge8 s MET 65 N -3.04 3.45 0.43 0.11 1.75 -0.55 -4.66 119.30 116.79 3ge8 s MET 65 Ca 0.09 2.11 -0.00 0.00 -1.25 0.00 0.00 55.69 56.64 3ge8 s MET 65 Cb 0.16 -2.39 -0.01 0.00 2.84 0.00 0.00 34.83 35.43 3ge8 s MET 65 CO 0.75 -0.90 0.65 0.95 -0.65 0.00 0.00 175.02 175.82 3ge8 s THR 66 N -1.36 4.40 0.15 10.11 -4.23 -1.26 -1.46 115.64 122.00 3ge8 s THR 66 Ca 0.67 -0.41 -0.25 0.00 -1.18 0.00 0.00 61.69 60.52 3ge8 s THR 66 Cb -0.37 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 69.86 3ge8 s THR 66 CO 0.45 -0.45 1.59 0.40 -0.54 0.00 0.00 174.62 176.07 3ge8 h ILE 67 N 0.47 0.20 -0.90 2.99 1.08 -0.67 -0.08 117.51 120.60 3ge8 h ILE 67 Ca -0.47 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.14 3ge8 h ILE 67 Cb 1.24 0.20 -0.15 0.00 -3.07 0.00 0.00 36.82 35.04 3ge8 h ILE 67 CO 0.59 0.00 -0.39 0.00 -0.69 0.00 0.00 178.15 177.66 3ge8 h ALA 68 N 0.55 0.05 0.00 1.87 0.00 -1.02 -2.48 119.26 118.24 3ge8 h ALA 68 Ca 0.14 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3ge8 h ALA 68 Cb 0.56 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3ge8 h ALA 68 CO -0.50 -0.66 -0.23 0.93 0.00 0.00 0.00 179.25 178.79 3ge8 h GLU 69 N -0.04 0.00 0.00 0.00 5.08 -1.69 -3.27 114.58 114.66 3ge8 h GLU 69 Ca 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3ge8 h GLU 69 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ge8 h GLU 69 CO -0.92 0.23 -0.14 0.66 -1.00 0.00 0.00 179.01 177.84 3ge8 h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.54 -3.48 113.55 115.60 3ge8 h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ge8 h SER 70 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3ge8 h SER 70 CO 0.03 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3ge8 n GLY 71 N -0.32 2.38 3.56 -0.77 0.00 -1.23 -5.04 105.19 103.77 3ge8 n GLY 71 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 3ge8 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ge8 n LEU 72 N 0.00 1.24 -4.91 0.99 4.77 -1.26 -5.00 117.00 112.83 3ge8 n LEU 72 Ca 0.00 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.86 3ge8 n LEU 72 Cb 0.00 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 3ge8 n LEU 72 CO 0.00 -1.55 0.27 0.20 -1.33 0.00 0.00 177.39 174.98 3ge8 s ASN 73 N -0.29 6.38 0.50 -1.43 0.01 -1.26 -4.98 114.94 113.86 3ge8 s ASN 73 Ca 0.68 0.73 -0.23 0.00 -0.71 0.00 0.00 52.86 53.33 3ge8 s ASN 73 Cb -0.83 -2.15 -0.06 0.00 0.41 0.00 0.00 41.25 38.62 3ge8 s ASN 73 CO 0.55 -0.31 1.34 -2.84 -1.51 0.00 0.00 177.10 174.33 3ge8 s PRO 74 N -4.00 3.44 -0.28 -0.60 0.02 -1.26 -2.46 135.00 129.86 3ge8 s PRO 74 Ca 0.44 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3ge8 s PRO 74 Cb -0.10 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3ge8 s PRO 74 CO 0.34 -0.94 0.00 0.25 -0.33 0.00 0.00 177.00 176.32 3ge8 n THR 75 N -0.64 0.00 -1.23 0.99 -2.24 0.23 -5.01 114.28 106.38 3ge8 n THR 75 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 3ge8 n THR 75 Cb 0.45 -0.61 0.12 0.00 -2.10 0.00 0.00 70.33 68.19 3ge8 n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ge8 s GLU 76 N -1.39 1.68 -0.12 -0.78 2.02 -1.03 -4.44 118.70 114.65 3ge8 s GLU 76 Ca 0.00 0.97 -0.17 0.00 0.02 0.00 0.00 54.97 55.79 3ge8 s GLU 76 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 3ge8 s GLU 76 CO 0.00 -1.99 0.43 0.08 0.02 0.00 0.00 175.26 173.79 3ge8 s VAL 77 N -2.92 5.20 0.16 2.63 1.01 -1.26 -1.50 120.40 123.73 3ge8 s VAL 77 Ca 0.62 0.84 0.09 0.00 0.00 0.00 0.00 61.98 63.54 3ge8 s VAL 77 Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3ge8 s VAL 77 CO 0.57 0.37 -0.20 0.27 0.00 0.00 0.00 175.10 176.10 3ge8 s ILE 78 N 0.40 1.95 -0.02 2.22 -4.36 0.19 -0.32 121.20 121.27 3ge8 s ILE 78 Ca 0.23 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3ge8 s ILE 78 Cb -0.15 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3ge8 s ILE 78 CO 0.09 -0.23 0.05 -1.81 0.24 0.00 0.00 174.94 173.28 3ge8 s ASP 79 N -2.57 5.48 -0.28 4.36 1.01 0.01 -0.77 116.67 123.91 3ge8 s ASP 79 Ca 0.16 0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.53 3ge8 s ASP 79 Cb -0.07 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.37 3ge8 s ASP 79 CO 0.07 0.29 -0.05 -0.69 0.21 0.00 0.00 175.17 175.01 3ge8 s VAL 80 N -1.12 2.70 0.37 -1.27 1.01 -0.66 -1.39 120.40 120.03 3ge8 s VAL 80 Ca 0.20 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.83 3ge8 s VAL 80 Cb -0.12 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 3ge8 s VAL 80 CO 0.11 -0.03 0.03 0.68 0.00 0.00 0.00 175.10 175.89 3ge8 s VAL 81 N 1.21 1.65 -0.05 2.92 -7.23 0.33 -1.02 120.40 118.21 3ge8 s VAL 81 Ca -0.06 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 3ge8 s VAL 81 Cb -0.19 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 3ge8 s VAL 81 CO -0.03 0.00 0.25 -0.36 -0.31 0.00 0.00 175.10 174.65 3ge8 s PHE 82 N -2.96 3.62 -2.29 2.82 0.08 -1.26 0.12 117.98 118.11 3ge8 s PHE 82 Ca 0.35 0.66 0.30 0.00 0.12 0.00 0.00 56.93 58.36 3ge8 s PHE 82 Cb 0.09 -2.04 1.41 0.00 -0.57 0.00 0.00 43.02 41.91 3ge8 s PHE 82 CO 0.17 0.67 1.95 -0.85 -0.10 0.00 0.00 175.22 177.06