#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 1.15 -3.58 7.33 0.00 -1.26 -0.76 120.51 123.38 3ge8 n ALA 3 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 3ge8 n ALA 3 Cb 0.00 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 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 0.04 0.51 -0.02 0.00 5.36 0.62 -4.71 117.98 119.78 3ge8 s PHE 4 Ca 0.69 -0.92 -0.30 0.00 -0.96 0.00 0.00 56.93 55.44 3ge8 s PHE 4 Cb -0.65 -0.98 -0.04 0.00 -0.34 0.00 0.00 43.02 41.00 3ge8 s PHE 4 CO 0.48 -0.79 1.23 -1.25 -1.46 0.00 0.00 175.22 173.44 3ge8 s PRO 5 N 2.03 4.36 0.32 10.12 0.04 -1.26 -0.28 135.00 150.33 3ge8 s PRO 5 Ca 0.08 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.95 3ge8 s PRO 5 Cb -0.16 -3.50 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 3ge8 s PRO 5 CO -0.31 -0.41 -0.09 0.14 0.04 0.00 0.00 177.00 176.36 3ge8 s VAL 6 N 1.92 2.07 -0.24 -0.36 -7.23 -0.54 0.12 120.40 116.15 3ge8 s VAL 6 Ca 0.58 -2.20 -0.07 0.00 -1.81 0.00 0.00 61.98 58.47 3ge8 s VAL 6 Cb -0.27 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 3ge8 s VAL 6 CO 0.25 -0.26 0.07 -1.00 -0.31 0.00 0.00 175.10 173.85 3ge8 s HIS 7 N -2.73 3.10 -0.03 2.82 3.76 -0.47 -1.17 115.29 120.57 3ge8 s HIS 7 Ca 0.31 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 3ge8 s HIS 7 Cb 0.02 -2.22 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 3ge8 s HIS 7 CO 0.15 -0.28 -0.16 0.00 -0.85 0.00 0.00 174.74 173.59 3ge8 s ALA 8 N 1.44 1.44 -0.21 -1.40 0.00 0.24 -0.07 121.76 123.21 3ge8 s ALA 8 Ca 0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 3ge8 s ALA 8 Cb -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3ge8 s ALA 8 CO 0.04 0.28 -0.06 0.00 0.00 0.00 0.00 175.76 176.02 3ge8 s ALA 9 N -0.07 2.76 0.06 0.00 0.00 -0.43 -1.05 121.76 123.04 3ge8 s ALA 9 Ca -0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 3ge8 s ALA 9 Cb -0.10 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 3ge8 s ALA 9 CO 0.01 -0.33 0.46 0.12 0.00 0.00 0.00 175.76 176.02 3ge8 s PHE 10 N 1.31 3.68 -0.06 0.00 5.36 -1.26 -1.46 117.98 125.54 3ge8 s PHE 10 Ca 0.04 1.00 -0.34 0.00 -0.96 0.00 0.00 56.93 56.67 3ge8 s PHE 10 Cb -0.14 -2.31 -0.12 0.00 -0.34 0.00 0.00 43.02 40.11 3ge8 s PHE 10 CO -0.03 0.56 1.88 -1.91 -1.46 0.00 0.00 175.22 174.25 3ge8 n GLU 11 N 1.35 2.25 0.00 10.12 2.13 0.02 -2.08 120.64 134.44 3ge8 n GLU 11 Ca -0.10 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3ge8 n GLU 11 Cb 0.52 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 6.57 0.00 -0.89 5.31 5.02 -1.26 -5.02 118.16 127.89 3ge8 n LYS 12 Ca 0.22 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 3ge8 n LYS 12 Cb 0.31 -0.77 0.23 0.00 -0.02 0.00 0.00 35.03 34.78 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 -2.91 1.34 0.00 4.39 -1.08 -0.89 -4.93 116.67 112.60 3ge8 s ASP 13 Ca 0.00 1.11 0.21 0.00 -0.52 0.00 0.00 52.55 53.35 3ge8 s ASP 13 Cb 0.00 -1.71 0.12 0.00 -1.46 0.00 0.00 42.92 39.87 3ge8 s ASP 13 CO 0.00 -3.92 1.11 2.22 0.52 0.00 0.00 175.17 175.10 3ge8 n PHE 14 N -4.69 0.00 -3.83 -5.34 1.16 -1.26 -4.94 117.46 98.56 3ge8 n PHE 14 Ca 0.07 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.55 3ge8 n PHE 14 Cb 0.57 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.46 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 -1.89 0.15 -0.07 5.98 2.34 -1.26 -5.16 118.68 118.76 3ge8 s LEU 15 Ca 0.22 -1.24 0.04 0.00 0.06 0.00 0.00 54.13 53.21 3ge8 s LEU 15 Cb 0.17 2.72 -0.01 0.00 -0.56 0.00 0.00 46.19 48.50 3ge8 s LEU 15 CO 0.33 -1.69 -0.20 -0.69 -1.06 0.00 0.00 176.35 173.03 3ge8 s VAL 16 N -2.21 2.49 0.15 1.48 1.01 -1.26 -4.29 120.40 117.76 3ge8 s VAL 16 Ca 0.18 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.35 3ge8 s VAL 16 Cb -0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3ge8 s VAL 16 CO 0.13 0.56 -0.21 -1.10 0.00 0.00 0.00 175.10 174.48 3ge8 s GLN 17 N -0.14 1.29 0.00 2.72 -0.21 -0.22 -4.89 119.66 118.23 3ge8 s GLN 17 Ca -0.03 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.70 3ge8 s GLN 17 Cb -0.14 -1.53 -0.05 0.00 1.00 0.00 0.00 33.01 32.30 3ge8 s GLN 17 CO 0.04 0.34 1.24 -1.17 -2.12 0.00 0.00 175.29 173.61 3ge8 s LEU 18 N -2.34 4.32 -0.09 2.90 2.96 -1.26 -0.59 118.68 124.58 3ge8 s LEU 18 Ca 0.13 1.96 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3ge8 s LEU 18 Cb -0.08 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.07 3ge8 s LEU 18 CO 0.06 -0.56 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.80 3ge8 s VAL 19 N 1.76 0.71 -0.34 1.68 1.01 -0.31 -4.95 120.40 119.95 3ge8 s VAL 19 Ca 0.59 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 3ge8 s VAL 19 Cb -0.28 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3ge8 s VAL 19 CO 0.26 0.31 0.49 -0.69 0.00 0.00 0.00 175.10 175.47 3ge8 s VAL 20 N 1.76 5.05 0.56 2.92 1.01 -1.26 -1.47 120.40 128.97 3ge8 s VAL 20 Ca 0.04 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3ge8 s VAL 20 Cb -0.13 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3ge8 s VAL 20 CO -0.06 -0.17 0.40 1.33 0.00 0.00 0.00 175.10 176.59 3ge8 n VAL 21 N 5.38 0.00 -3.99 2.92 0.24 0.61 -4.84 118.33 118.65 3ge8 n VAL 21 Ca -0.05 -2.26 -0.30 0.00 -2.04 0.00 0.00 64.34 59.69 3ge8 n VAL 21 Cb 0.49 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 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 -4.29 5.90 0.44 -1.34 2.15 -1.26 0.23 116.67 118.49 3ge8 s ASP 22 Ca 0.30 0.10 0.21 0.00 0.43 0.00 0.00 52.55 53.59 3ge8 s ASP 22 Cb -0.02 -1.69 1.17 0.00 -0.30 0.00 0.00 42.92 42.07 3ge8 s ASP 22 CO 0.19 0.16 1.84 0.25 -0.17 0.00 0.00 175.17 177.44 3ge8 h LEU 23 N 3.11 0.34 -3.07 -1.34 5.85 -1.23 -2.05 115.31 116.91 3ge8 h LEU 23 Ca -0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3ge8 h LEU 23 Cb 1.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3ge8 h LEU 23 CO 0.70 0.11 0.00 0.59 -0.34 0.00 0.00 178.44 179.50 3ge8 n ASN 24 N -4.49 3.56 -4.74 1.25 5.03 -1.26 -0.97 115.26 113.65 3ge8 n ASN 24 Ca 0.21 -2.48 -0.42 0.00 0.87 0.00 0.00 54.58 52.77 3ge8 n ASN 24 Cb 0.81 -0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 39.14 3ge8 n ASN 24 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3ge8 s ASP 25 N -1.37 6.52 0.85 6.41 1.01 -0.77 -4.80 116.67 124.51 3ge8 s ASP 25 Ca 0.35 2.79 -0.11 0.00 0.71 0.00 0.00 52.55 56.28 3ge8 s ASP 25 Cb 0.24 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.65 3ge8 s ASP 25 CO 0.14 -0.81 1.10 -0.94 0.21 0.00 0.00 175.17 174.86 3ge8 s SER 26 N 0.53 3.83 0.26 0.27 1.04 -1.26 -1.37 113.70 117.01 3ge8 s SER 26 Ca 0.63 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.78 3ge8 s SER 26 Cb -0.45 -2.40 0.44 0.00 0.10 0.00 0.00 66.02 63.71 3ge8 s SER 26 CO 0.43 -2.45 1.84 0.24 0.98 0.00 0.00 173.24 174.29 3ge8 h MET 27 N -1.42 0.96 -0.63 4.02 2.86 -0.25 0.15 114.93 120.62 3ge8 h MET 27 Ca -0.46 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.21 3ge8 h MET 27 Cb 1.26 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.63 3ge8 h MET 27 CO 0.51 0.63 0.26 -0.44 1.06 0.00 0.00 176.91 178.94 3ge8 h ASP 28 N 0.99 0.29 -0.07 1.22 3.32 -1.80 0.16 116.42 120.53 3ge8 h ASP 28 Ca 0.44 0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.37 3ge8 h ASP 28 Cb 0.32 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3ge8 h ASP 28 CO -0.22 0.17 -0.62 1.56 -1.72 0.00 0.00 179.24 178.41 3ge8 h GLN 29 N 0.46 0.68 0.35 3.56 4.20 -1.50 -2.03 115.11 120.84 3ge8 h GLN 29 Ca 0.32 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3ge8 h GLN 29 Cb 0.37 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3ge8 h GLN 29 CO -0.29 1.09 -0.26 0.28 -0.67 0.00 0.00 178.83 178.98 3ge8 h VAL 30 N 0.51 0.45 -0.77 -0.54 2.07 -0.49 -1.31 116.25 116.15 3ge8 h VAL 30 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 3ge8 h VAL 30 Cb 1.21 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 3ge8 h VAL 30 CO 0.12 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.03 3ge8 h ALA 31 N -0.04 1.10 -0.34 1.67 0.00 -0.62 -1.50 119.26 119.54 3ge8 h ALA 31 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3ge8 h ALA 31 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ge8 h ALA 31 CO 0.00 -0.21 -0.26 0.93 0.00 0.00 0.00 179.25 179.71 3ge8 h GLU 32 N 0.45 0.78 -0.58 0.00 4.39 -1.32 -0.78 114.58 117.53 3ge8 h GLU 32 Ca 0.43 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3ge8 h GLU 32 Cb 0.66 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3ge8 h GLU 32 CO -0.41 1.01 0.39 0.87 -1.16 0.00 0.00 179.01 179.70 3ge8 h LYS 33 N 0.56 0.73 0.07 2.33 1.57 -0.47 -2.48 116.57 118.87 3ge8 h LYS 33 Ca 0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ge8 h LYS 33 Cb 0.83 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3ge8 h LYS 33 CO 0.07 0.48 -0.03 0.28 -0.57 0.00 0.00 179.45 179.68 3ge8 h VAL 34 N 0.75 1.22 -1.05 0.50 2.07 -1.22 -3.24 116.25 115.28 3ge8 h VAL 34 Ca 0.22 -1.15 0.41 0.00 0.82 0.00 0.00 66.70 67.00 3ge8 h VAL 34 Cb -0.03 1.95 -0.17 0.00 -1.52 0.00 0.00 31.29 31.52 3ge8 h VAL 34 CO -0.05 0.28 0.59 0.00 0.02 0.00 0.00 177.57 178.41 3ge8 h ALA 35 N 0.22 2.23 -0.85 1.67 0.00 -1.06 -0.60 119.26 120.87 3ge8 h ALA 35 Ca -0.01 0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.31 3ge8 h ALA 35 Cb 0.53 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 3ge8 h ALA 35 CO 0.02 -0.98 0.40 -0.92 0.00 0.00 0.00 179.25 177.77 3ge8 h TYR 36 N 0.05 0.68 -0.42 0.00 3.20 -1.46 -0.89 116.97 118.12 3ge8 h TYR 36 Ca 0.84 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.74 3ge8 h TYR 36 Cb 2.24 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 40.34 3ge8 h TYR 36 CO -0.01 0.09 0.00 0.72 -1.64 0.00 0.00 178.16 177.32 3ge8 n HIS 37 N -4.95 0.94 0.11 -3.82 8.25 -0.24 -4.62 115.22 110.89 3ge8 n HIS 37 Ca 0.18 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3ge8 n HIS 37 Cb 0.50 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 2.98 0.00 0.00 1.01 -0.47 -0.93 120.40 120.99 3ge8 s VAL 39 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3ge8 s VAL 39 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3ge8 s VAL 39 CO 0.00 0.19 0.00 0.59 0.00 0.00 0.00 175.10 175.88 3ge8 n ASN 40 N 1.50 -3.91 -0.05 3.32 3.02 0.13 -4.77 115.26 114.50 3ge8 n ASN 40 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.46 3ge8 n ASN 40 Cb 0.42 -2.76 -0.04 0.00 -0.61 0.00 0.00 39.78 36.80 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 -0.32 0.27 0.00 3.52 1.74 -0.30 -4.89 116.66 116.68 3ge8 n ARG 41 Ca 0.00 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3ge8 n ARG 41 Cb 0.30 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 -3.73 -0.38 -3.84 5.56 1.74 -0.11 -5.04 116.66 110.85 3ge8 n ARG 42 Ca -0.19 -0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 56.36 3ge8 n ARG 42 Cb 0.53 -0.74 -0.17 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.02 0.78 0.14 1.55 1.01 -1.02 -4.83 120.40 118.00 3ge8 s VAL 43 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 61.98 61.43 3ge8 s VAL 43 Cb 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 36.38 35.31 3ge8 s VAL 43 CO 0.00 0.25 1.11 0.00 0.00 0.00 0.00 175.10 176.47 3ge8 n ALA 44 N 5.01 -1.36 -1.50 5.51 0.00 -1.26 0.22 120.51 127.13 3ge8 n ALA 44 Ca -0.10 0.49 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 3ge8 n ALA 44 Cb 0.49 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 18.05 3ge8 n ALA 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ge8 s PRO 45 N -0.29 2.56 0.22 0.00 0.04 -1.26 -4.77 135.00 131.50 3ge8 s PRO 45 Ca 0.76 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 3ge8 s PRO 45 Cb -0.92 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 3ge8 s PRO 45 CO 0.53 -1.48 0.40 -0.98 0.04 0.00 0.00 177.00 175.51 3ge8 s ARG 46 N -3.82 1.40 0.30 4.56 1.70 -1.26 -5.09 118.95 116.73 3ge8 s ARG 46 Ca 0.73 -1.22 -0.08 0.00 -0.47 0.00 0.00 55.73 54.69 3ge8 s ARG 46 Cb -0.26 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3ge8 s ARG 46 CO 0.41 -0.56 0.61 -1.21 -1.08 0.00 0.00 175.30 173.46 3ge8 s GLU 47 N -4.00 3.72 0.00 3.89 0.41 -1.26 -5.00 118.70 116.46 3ge8 s GLU 47 Ca 0.21 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 3ge8 s GLU 47 Cb 0.01 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 3ge8 s GLU 47 CO 0.06 0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 3ge8 n GLY 48 N -0.79 0.87 3.44 -1.39 0.00 -1.26 -5.03 105.19 101.03 3ge8 n GLY 48 Ca -0.00 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.98 3.58 -0.02 1.61 1.01 -1.26 -4.98 120.40 119.35 3ge8 s VAL 49 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3ge8 s VAL 49 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3ge8 s VAL 49 CO 0.00 0.50 1.01 -0.04 0.00 0.00 0.00 175.10 176.57 3ge8 s MET 50 N 0.44 4.51 0.09 2.72 -1.94 -1.26 -1.52 119.30 122.33 3ge8 s MET 50 Ca -0.06 1.45 0.09 0.00 -1.71 0.00 0.00 55.69 55.46 3ge8 s MET 50 Cb -0.15 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 3ge8 s MET 50 CO 0.04 -0.15 -0.20 1.03 -0.01 0.00 0.00 175.02 175.72 3ge8 s ARG 51 N 1.32 1.81 -0.12 2.03 1.81 0.57 -4.86 118.95 121.52 3ge8 s ARG 51 Ca 0.52 -1.14 -0.02 0.00 -1.72 0.00 0.00 55.73 53.37 3ge8 s ARG 51 Cb -0.21 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.17 3ge8 s ARG 51 CO 0.25 0.50 -0.04 0.08 -0.68 0.00 0.00 175.30 175.41 3ge8 s VAL 52 N -1.04 3.89 0.04 3.52 1.01 -1.26 -0.88 120.40 125.68 3ge8 s VAL 52 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3ge8 s VAL 52 Cb -0.10 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3ge8 s VAL 52 CO 0.07 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.71 3ge8 s ARG 53 N -0.22 0.52 0.41 2.72 1.70 -0.62 -0.19 118.95 123.27 3ge8 s ARG 53 Ca 0.04 -0.98 -0.26 0.00 -0.47 0.00 0.00 55.73 54.06 3ge8 s ARG 53 Cb -0.13 0.18 -0.10 0.00 -0.57 0.00 0.00 34.95 34.34 3ge8 s ARG 53 CO 0.02 -0.10 1.39 1.63 -1.08 0.00 0.00 175.30 177.17 3ge8 n LYS 54 N 0.64 2.26 -1.72 3.89 5.02 -1.26 -0.30 118.16 126.70 3ge8 n LYS 54 Ca -0.18 0.80 -0.60 0.00 -2.02 0.00 0.00 58.31 56.31 3ge8 n LYS 54 Cb 0.59 -2.54 -0.08 0.00 -0.02 0.00 0.00 35.03 32.98 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 0.01 1.99 0.00 2.13 -0.00 -1.00 -1.93 115.22 116.42 3ge8 n HIS 55 Ca 0.04 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.45 3ge8 n HIS 55 Cb 0.40 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 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 5.10 0.00 -1.44 1.57 5.12 -1.26 -4.99 116.66 120.76 3ge8 n ARG 56 Ca 0.28 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.90 3ge8 n ARG 56 Cb 0.08 -1.30 0.09 0.00 -1.16 0.00 0.00 32.46 30.17 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 -3.63 4.48 0.00 0.55 0.15 -0.81 -5.01 113.70 109.44 3ge8 s SER 57 Ca 0.00 1.49 0.14 0.00 0.70 0.00 0.00 55.95 58.29 3ge8 s SER 57 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3ge8 s SER 57 CO 0.00 -2.00 0.80 0.35 1.20 0.00 0.00 173.24 173.60 3ge8 n THR 58 N -3.47 0.00 -3.78 6.45 -2.24 -1.26 -4.91 114.28 105.08 3ge8 n THR 58 Ca 0.07 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 3ge8 n THR 58 Cb 0.55 1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 69.87 3ge8 n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ge8 s GLU 59 N -1.72 4.13 0.23 -0.78 0.41 -1.26 -5.09 118.70 114.62 3ge8 s GLU 59 Ca 0.12 -0.25 -0.23 0.00 -0.41 0.00 0.00 54.97 54.20 3ge8 s GLU 59 Cb 0.12 -3.39 -0.09 0.00 -1.78 0.00 0.00 34.13 28.99 3ge8 s GLU 59 CO 0.35 0.26 0.79 -0.51 -0.49 0.00 0.00 175.26 175.67 3ge8 s LEU 60 N 0.45 4.41 0.42 1.80 1.43 -1.26 -4.51 118.68 121.42 3ge8 s LEU 60 Ca 0.07 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 3ge8 s LEU 60 Cb -0.12 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 3ge8 s LEU 60 CO -0.01 0.06 1.16 -0.36 0.23 0.00 0.00 176.35 177.43 3ge8 s PHE 61 N -1.45 3.03 0.24 0.29 0.08 0.73 -4.99 117.98 115.91 3ge8 s PHE 61 Ca 0.43 1.55 -0.31 0.00 0.12 0.00 0.00 56.93 58.72 3ge8 s PHE 61 Cb -0.19 -3.38 -0.14 0.00 -0.57 0.00 0.00 43.02 38.75 3ge8 s PHE 61 CO 0.23 -1.34 1.35 -2.30 -0.10 0.00 0.00 175.22 173.06 3ge8 n PRO 62 N -0.08 1.88 -0.32 0.24 -0.02 -1.26 -4.65 135.00 130.80 3ge8 n PRO 62 Ca 0.05 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 3ge8 n PRO 62 Cb 0.47 -2.29 0.25 0.00 -0.02 0.00 0.00 33.50 31.92 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 3.91 0.68 -0.01 -0.52 3.08 -1.96 -0.46 114.38 119.11 3ge8 h ARG 63 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3ge8 h ARG 63 Cb 1.29 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3ge8 h ARG 63 CO 0.74 0.45 -0.11 -0.25 -1.07 0.00 0.00 179.97 179.73 3ge8 n ASP 64 N -4.81 0.88 -4.77 7.04 8.00 -1.26 -2.51 116.55 119.12 3ge8 n ASP 64 Ca 0.19 -0.98 -0.40 0.00 0.71 0.00 0.00 54.79 54.31 3ge8 n ASP 64 Cb 0.46 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 3ge8 n ASP 64 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3ge8 s MET 65 N -2.29 4.32 0.57 -1.24 -2.45 -0.18 -4.69 119.30 113.34 3ge8 s MET 65 Ca 0.32 2.08 -0.01 0.00 -1.25 0.00 0.00 55.69 56.83 3ge8 s MET 65 Cb 0.20 -3.00 0.03 0.00 1.25 0.00 0.00 34.83 33.32 3ge8 s MET 65 CO 0.43 -0.17 0.83 0.95 1.05 0.00 0.00 175.02 178.11 3ge8 s THR 66 N -1.20 2.89 0.12 10.11 -4.23 -1.26 -0.16 115.64 121.91 3ge8 s THR 66 Ca 0.50 -0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 60.36 3ge8 s THR 66 Cb -0.37 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 3ge8 s THR 66 CO 0.48 -0.10 1.70 0.40 -0.54 0.00 0.00 174.62 176.56 3ge8 h ILE 67 N -0.06 1.15 -0.33 2.99 1.08 -1.29 0.03 117.51 121.08 3ge8 h ILE 67 Ca -0.44 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 3ge8 h ILE 67 Cb 1.29 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 3ge8 h ILE 67 CO 0.56 0.15 0.18 0.00 -0.69 0.00 0.00 178.15 178.35 3ge8 h ALA 68 N 1.01 0.41 0.00 1.87 0.00 -1.34 -2.51 119.26 118.69 3ge8 h ALA 68 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ge8 h ALA 68 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ge8 h ALA 68 CO -0.01 -0.18 -0.37 0.93 0.00 0.00 0.00 179.25 179.62 3ge8 h GLU 69 N 0.38 0.00 0.00 0.00 5.08 -1.80 -3.25 114.58 114.99 3ge8 h GLU 69 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ge8 h GLU 69 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ge8 h GLU 69 CO -0.07 0.37 0.00 0.66 -1.00 0.00 0.00 179.01 178.96 3ge8 h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.52 -3.47 113.55 115.62 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 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ge8 h SER 70 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3ge8 n GLY 71 N -0.32 2.08 3.46 -0.77 0.00 -1.23 -5.02 105.19 103.38 3ge8 n GLY 71 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.32 -4.89 0.99 4.77 -1.26 -5.01 117.00 111.27 3ge8 n LEU 72 Ca 0.00 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 3ge8 n LEU 72 Cb 0.00 -1.05 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 3ge8 n LEU 72 CO 0.00 -2.50 0.09 0.20 -1.33 0.00 0.00 177.39 173.85 3ge8 s ASN 73 N -0.85 6.52 0.27 -1.43 0.01 -1.26 -4.98 114.94 113.21 3ge8 s ASN 73 Ca 0.63 0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 53.16 3ge8 s ASN 73 Cb -0.87 -2.13 -0.14 0.00 0.41 0.00 0.00 41.25 38.53 3ge8 s ASN 73 CO 0.57 -0.00 1.12 -2.65 -1.51 0.00 0.00 177.10 174.63 3ge8 n PRO 74 N -0.07 1.51 -0.93 -0.60 -0.02 -1.26 -1.59 135.00 132.03 3ge8 n PRO 74 Ca -0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3ge8 n PRO 74 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3ge8 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ge8 n THR 75 N 0.67 0.00 -0.99 3.45 -2.24 0.33 -5.01 114.28 110.49 3ge8 n THR 75 Ca 0.10 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 3ge8 n THR 75 Cb 0.31 -0.25 0.16 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.50 0.86 -0.17 -0.78 2.02 -0.62 -4.42 118.70 115.09 3ge8 s GLU 76 Ca 0.00 0.98 -0.10 0.00 0.02 0.00 0.00 54.97 55.87 3ge8 s GLU 76 Cb 0.00 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 3ge8 s GLU 76 CO 0.00 -2.56 0.16 0.08 0.02 0.00 0.00 175.26 172.96 3ge8 s VAL 77 N -2.79 5.41 0.16 2.63 1.01 -1.26 -1.37 120.40 124.19 3ge8 s VAL 77 Ca 0.65 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.96 3ge8 s VAL 77 Cb -0.20 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3ge8 s VAL 77 CO 0.58 0.48 -0.17 0.27 0.00 0.00 0.00 175.10 176.27 3ge8 s ILE 78 N -0.00 1.72 -0.09 2.22 -4.36 0.90 -2.38 121.20 119.22 3ge8 s ILE 78 Ca 0.11 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 3ge8 s ILE 78 Cb -0.12 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 3ge8 s ILE 78 CO 0.01 -0.37 -0.03 -1.81 0.24 0.00 0.00 174.94 172.98 3ge8 s ASP 79 N -2.72 4.99 -0.32 4.36 -0.00 0.59 -1.31 116.67 122.26 3ge8 s ASP 79 Ca 0.15 0.05 -0.07 0.00 -0.00 0.00 0.00 52.55 52.68 3ge8 s ASP 79 Cb -0.05 -1.44 0.02 0.00 -0.00 0.00 0.00 42.92 41.45 3ge8 s ASP 79 CO 0.06 0.34 0.11 -0.69 -0.00 0.00 0.00 175.17 174.98 3ge8 s VAL 80 N -0.64 4.05 0.20 -1.27 1.01 -0.54 -1.59 120.40 121.63 3ge8 s VAL 80 Ca 0.10 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3ge8 s VAL 80 Cb -0.12 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3ge8 s VAL 80 CO 0.02 -0.02 0.03 0.68 0.00 0.00 0.00 175.10 175.81 3ge8 s VAL 81 N 1.49 0.68 0.03 2.92 -7.23 -0.06 -0.80 120.40 117.44 3ge8 s VAL 81 Ca 0.02 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3ge8 s VAL 81 Cb -0.18 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3ge8 s VAL 81 CO 0.03 -0.31 0.14 -0.36 -0.31 0.00 0.00 175.10 174.29 3ge8 s PHE 82 N -3.66 3.40 -2.00 2.82 0.08 -1.26 -0.31 117.98 117.04 3ge8 s PHE 82 Ca 0.29 0.22 0.13 0.00 0.12 0.00 0.00 56.93 57.69 3ge8 s PHE 82 Cb 0.07 -1.74 0.75 0.00 -0.57 0.00 0.00 43.02 41.53 3ge8 s PHE 82 CO 0.07 0.58 1.18 0.39 -0.10 0.00 0.00 175.22 177.34