#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s VAL 2 N 0.00 2.37 0.26 1.12 0.11 -1.26 -1.34 120.40 121.65 1fjg s VAL 2 Ca 0.00 0.37 0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1fjg s VAL 2 Cb 0.00 -3.23 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1fjg s VAL 2 CO 0.00 0.09 0.07 -0.54 -3.33 0.00 0.00 175.10 171.38 1fjg s LYS 3 N -1.82 1.40 -0.28 1.54 1.02 0.14 -2.20 119.74 119.54 1fjg s LYS 3 Ca 0.52 -1.75 0.03 0.00 0.02 0.00 0.00 55.97 54.79 1fjg s LYS 3 Cb -0.43 -0.40 0.07 0.00 -0.52 0.00 0.00 37.83 36.54 1fjg s LYS 3 CO 0.57 -0.23 -0.07 0.42 -0.92 0.00 0.00 175.35 175.12 1fjg s ILE 4 N -3.63 2.23 0.04 2.17 1.01 -1.15 -1.15 121.20 120.72 1fjg s ILE 4 Ca 0.35 -1.78 0.01 0.00 0.00 0.00 0.00 60.65 59.22 1fjg s ILE 4 Cb 0.07 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 1fjg s ILE 4 CO 0.12 -0.16 0.04 -2.11 0.00 0.00 0.00 174.94 172.83 1fjg n ARG 5 N 4.40 0.05 -4.13 2.79 1.85 0.50 -1.71 116.66 120.41 1fjg n ARG 5 Ca -0.10 -0.38 -0.35 0.00 -1.00 0.00 0.00 57.85 56.01 1fjg n ARG 5 Cb 0.42 0.32 -0.08 0.00 -1.05 0.00 0.00 32.46 32.07 1fjg n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1fjg s LEU 6 N 0.00 3.89 -0.12 2.89 1.02 -1.26 0.48 118.68 125.58 1fjg s LEU 6 Ca 0.04 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.45 1fjg s LEU 6 Cb 0.00 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 1fjg s LEU 6 CO 0.03 0.34 -0.20 0.00 0.02 0.00 0.00 176.35 176.55 1fjg s ALA 7 N -0.66 2.33 0.09 4.21 0.00 -0.83 -4.91 121.76 122.00 1fjg s ALA 7 Ca 0.11 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 1fjg s ALA 7 Cb -0.12 -1.00 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 1fjg s ALA 7 CO 0.02 0.17 1.54 1.03 0.00 0.00 0.00 175.76 178.52 1fjg s ARG 8 N 0.51 4.24 0.00 0.00 1.81 -1.26 -1.76 118.95 122.49 1fjg s ARG 8 Ca -0.13 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 56.11 1fjg s ARG 8 Cb -0.17 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 1fjg s ARG 8 CO 0.05 -0.62 0.00 1.19 -0.68 0.00 0.00 175.30 175.24 1fjg n PHE 9 N 4.83 0.00 0.00 -0.53 3.72 0.14 -4.90 117.46 120.72 1fjg n PHE 9 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1fjg n PHE 9 Cb 0.41 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1fjg n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fjg n GLY 10 N 0.00 -0.93 0.00 1.37 0.00 -0.60 -4.70 105.19 100.33 1fjg n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjg n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fjg n SER 11 N 0.00 0.00 -4.51 1.61 3.41 0.14 -4.85 113.62 109.42 1fjg n SER 11 Ca 0.00 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 58.04 1fjg n SER 11 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1fjg n SER 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1fjg n LYS 12 N -0.18 0.17 -0.82 4.33 4.81 -1.26 0.17 118.16 125.38 1fjg n LYS 12 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1fjg n LYS 12 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1fjg n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1fjg n HIS 13 N 1.53 0.00 -3.18 5.64 8.25 -1.26 -4.78 115.22 121.42 1fjg n HIS 13 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 1fjg n HIS 13 Cb 0.11 -1.77 -0.04 0.00 1.12 0.00 0.00 29.99 29.40 1fjg n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1fjg n ASN 14 N -0.50 1.05 -4.76 0.41 5.15 0.44 -5.12 115.26 111.93 1fjg n ASN 14 Ca 0.00 -2.99 -0.39 0.00 -0.60 0.00 0.00 54.58 50.60 1fjg n ASN 14 Cb 0.36 -0.62 0.01 0.00 -0.53 0.00 0.00 39.78 39.00 1fjg n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1fjg s PRO 15 N -2.15 3.70 -0.23 1.20 0.04 -1.21 -0.68 135.00 135.66 1fjg s PRO 15 Ca 0.39 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 1fjg s PRO 15 Cb 0.28 -2.55 0.09 0.00 0.04 0.00 0.00 34.50 32.37 1fjg s PRO 15 CO -0.09 -0.69 0.52 -1.01 0.04 0.00 0.00 177.00 175.76 1fjg s HIS 16 N -1.34 -0.94 0.19 0.56 3.76 -1.26 -4.52 115.29 111.73 1fjg s HIS 16 Ca 0.62 1.78 0.07 0.00 -0.15 0.00 0.00 55.06 57.38 1fjg s HIS 16 Cb -0.37 0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.76 1fjg s HIS 16 CO 0.46 -0.51 0.07 0.71 -0.85 0.00 0.00 174.74 174.61 1fjg s TYR 17 N 2.33 2.96 -0.23 1.40 1.51 -0.31 0.27 117.35 125.28 1fjg s TYR 17 Ca -0.05 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1fjg s TYR 17 Cb -0.10 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1fjg s TYR 17 CO -0.15 0.53 -0.06 1.03 -1.11 0.00 0.00 175.55 175.79 1fjg s ARG 18 N -3.16 3.15 0.12 -0.62 0.52 -0.72 -0.71 118.95 117.52 1fjg s ARG 18 Ca 0.30 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.42 1fjg s ARG 18 Cb -0.09 -2.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.32 1fjg s ARG 18 CO 0.21 -0.28 1.41 0.42 0.02 0.00 0.00 175.30 177.08 1fjg s ILE 19 N 1.41 3.25 0.05 1.52 1.01 -0.43 -1.96 121.20 126.05 1fjg s ILE 19 Ca 0.04 0.90 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 1fjg s ILE 19 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1fjg s ILE 19 CO -0.04 0.07 0.02 -0.69 0.00 0.00 0.00 174.94 174.29 1fjg s VAL 20 N 1.14 0.18 -0.16 2.92 1.01 0.18 -1.58 120.40 124.09 1fjg s VAL 20 Ca 0.65 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1fjg s VAL 20 Cb -0.37 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1fjg s VAL 20 CO 0.30 -0.81 -0.03 -0.69 0.00 0.00 0.00 175.10 173.87 1fjg s VAL 21 N -3.28 3.88 0.13 2.92 1.01 0.55 -0.37 120.40 125.24 1fjg s VAL 21 Ca 0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 1fjg s VAL 21 Cb 0.03 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.77 1fjg s VAL 21 CO -0.08 0.49 0.75 0.28 0.00 0.00 0.00 175.10 176.54 1fjg s THR 22 N 0.45 0.00 0.25 3.92 -1.32 -0.30 0.99 115.64 119.63 1fjg s THR 22 Ca -0.03 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 59.88 1fjg s THR 22 Cb -0.14 -1.32 -0.09 0.00 -1.51 0.00 0.00 72.50 69.44 1fjg s THR 22 CO 0.03 0.00 1.17 -0.62 -2.21 0.00 0.00 174.62 172.99 1fjg s ASP 23 N -2.73 7.12 0.54 8.08 -1.08 -1.26 0.28 116.67 127.61 1fjg s ASP 23 Ca 0.05 2.33 0.31 0.00 -0.52 0.00 0.00 52.55 54.73 1fjg s ASP 23 Cb -0.02 -2.62 1.48 0.00 -1.46 0.00 0.00 42.92 40.30 1fjg s ASP 23 CO -0.06 -0.29 1.89 0.00 0.52 0.00 0.00 175.17 177.23 1fjg h ALA 24 N 4.27 2.82 0.00 3.66 0.00 -1.53 -1.55 119.26 126.92 1fjg h ALA 24 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fjg h ALA 24 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1fjg h ALA 24 CO 0.69 -1.08 0.00 0.54 0.00 0.00 0.00 179.25 179.40 1fjg n ARG 25 N -4.25 0.05 -1.20 0.00 1.74 -1.26 -4.87 116.66 106.86 1fjg n ARG 25 Ca 0.18 0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.10 1fjg n ARG 25 Cb 0.95 -1.57 0.12 0.00 -1.02 0.00 0.00 32.46 30.94 1fjg n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1fjg s ARG 26 N -3.04 1.64 1.08 5.56 1.81 -0.59 -5.00 118.95 120.41 1fjg s ARG 26 Ca 0.10 0.99 -0.12 0.00 -1.72 0.00 0.00 55.73 54.99 1fjg s ARG 26 Cb 0.14 -1.84 0.23 0.00 -0.45 0.00 0.00 34.95 33.04 1fjg s ARG 26 CO 0.44 -2.02 1.06 0.15 -0.68 0.00 0.00 175.30 174.24 1fjg s LYS 27 N -4.91 -0.23 0.32 3.54 1.02 -1.26 -4.89 119.74 113.34 1fjg s LYS 27 Ca 0.63 0.89 0.17 0.00 0.02 0.00 0.00 55.97 57.68 1fjg s LYS 27 Cb -0.18 -1.63 0.32 0.00 -0.52 0.00 0.00 37.83 35.82 1fjg s LYS 27 CO 0.57 -3.28 1.56 0.07 -0.92 0.00 0.00 175.35 173.35 1fjg h ARG 28 N -2.30 0.00 -0.46 1.68 0.11 -1.95 -3.16 114.38 108.29 1fjg h ARG 28 Ca -0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.51 1fjg h ARG 28 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1fjg h ARG 28 CO 0.51 0.44 0.00 -0.25 0.10 0.00 0.00 179.97 180.77 1fjg n ASP 29 N -3.32 3.33 -2.46 0.08 10.43 -1.26 -4.52 116.55 118.83 1fjg n ASP 29 Ca 0.01 -2.06 0.00 0.00 2.57 0.00 0.00 54.79 55.31 1fjg n ASP 29 Cb 0.65 -0.33 0.00 0.00 1.84 0.00 0.00 41.12 43.28 1fjg n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1fjg n GLY 30 N 0.80 -0.41 3.60 0.44 0.00 -1.20 -4.95 105.19 103.47 1fjg n GLY 30 Ca 0.16 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1fjg n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fjg s LYS 31 N -0.12 3.26 0.76 1.61 2.20 -1.26 -4.92 119.74 121.27 1fjg s LYS 31 Ca 0.00 1.41 -0.06 0.00 -0.36 0.00 0.00 55.97 56.96 1fjg s LYS 31 Cb 0.00 -4.23 0.12 0.00 -1.51 0.00 0.00 37.83 32.21 1fjg s LYS 31 CO 0.00 -1.95 1.06 1.52 -0.36 0.00 0.00 175.35 175.62 1fjg s TYR 32 N 7.20 2.05 -0.10 4.03 1.13 -1.26 -4.83 117.35 125.57 1fjg s TYR 32 Ca 0.80 0.08 -0.05 0.00 -1.41 0.00 0.00 57.07 56.49 1fjg s TYR 32 Cb -0.22 -3.29 -0.26 0.00 -1.10 0.00 0.00 41.96 37.08 1fjg s TYR 32 CO 0.33 -1.78 0.44 0.82 -2.51 0.00 0.00 175.55 172.85 1fjg h ILE 33 N -0.76 0.69 -1.82 -3.49 2.04 0.27 -3.48 117.51 110.96 1fjg h ILE 33 Ca -0.41 -2.41 0.01 0.00 1.00 0.00 0.00 64.86 63.06 1fjg h ILE 33 Cb 1.28 2.53 -0.23 0.00 -0.74 0.00 0.00 36.82 39.65 1fjg h ILE 33 CO 0.46 0.85 0.26 -0.70 0.00 0.00 0.00 178.15 179.02 1fjg s GLU 34 N -2.57 0.67 0.11 2.37 2.12 -0.93 -4.99 118.70 115.48 1fjg s GLU 34 Ca -0.19 0.85 -0.23 0.00 0.36 0.00 0.00 54.97 55.75 1fjg s GLU 34 Cb 0.07 0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.69 1fjg s GLU 34 CO 0.79 -0.09 0.71 0.21 -0.54 0.00 0.00 175.26 176.34 1fjg s LYS 35 N 0.50 4.45 -0.02 4.30 2.20 -1.26 -0.33 119.74 129.58 1fjg s LYS 35 Ca -0.00 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.63 1fjg s LYS 35 Cb -0.05 -3.28 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1fjg s LYS 35 CO -0.05 0.52 0.94 0.44 -0.36 0.00 0.00 175.35 176.84 1fjg n ILE 36 N 1.95 0.26 0.00 5.43 -5.35 -0.61 -4.93 119.36 116.10 1fjg n ILE 36 Ca -0.06 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1fjg n ILE 36 Cb 0.50 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 1fjg n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fjg n GLY 37 N -0.19 -0.86 3.29 3.28 0.00 -1.14 -4.19 105.19 105.37 1fjg n GLY 37 Ca 0.02 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1fjg n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fjg s TYR 38 N -2.00 -0.12 -0.17 1.61 -0.85 -1.06 -1.31 117.35 113.44 1fjg s TYR 38 Ca 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.29 1fjg s TYR 38 Cb 0.00 0.17 0.07 0.00 0.38 0.00 0.00 41.96 42.58 1fjg s TYR 38 CO 0.00 -0.64 0.40 -0.47 -1.52 0.00 0.00 175.55 173.33 1fjg s TYR 39 N -3.57 -0.64 -0.47 -3.49 5.04 0.11 -2.55 117.35 111.79 1fjg s TYR 39 Ca 0.02 1.33 -0.09 0.00 -2.44 0.00 0.00 57.07 55.89 1fjg s TYR 39 Cb 0.02 0.26 0.12 0.00 0.35 0.00 0.00 41.96 42.71 1fjg s TYR 39 CO -0.10 -0.38 0.34 0.34 -1.34 0.00 0.00 175.55 174.41 1fjg s ASP 40 N 1.77 5.69 0.35 4.32 3.68 -0.21 -1.16 116.67 131.11 1fjg s ASP 40 Ca -0.07 -1.88 0.13 0.00 2.13 0.00 0.00 52.55 52.86 1fjg s ASP 40 Cb -0.10 -2.01 0.96 0.00 -1.45 0.00 0.00 42.92 40.32 1fjg s ASP 40 CO -0.13 -0.68 1.76 -0.65 0.13 0.00 0.00 175.17 175.60 1fjg h PRO 41 N 8.44 0.52 -0.34 4.34 0.11 -1.85 -1.28 132.00 141.95 1fjg h PRO 41 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1fjg h PRO 41 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1fjg h PRO 41 CO 0.85 0.34 0.00 0.54 -0.21 0.00 0.00 178.00 179.52 1fjg n ARG 42 N -4.75 1.90 -4.23 1.05 1.74 -1.26 -4.94 116.66 106.17 1fjg n ARG 42 Ca 0.25 -1.39 -0.36 0.00 -0.77 0.00 0.00 57.85 55.58 1fjg n ARG 42 Cb 0.77 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.83 1fjg n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fjg n LYS 43 N 0.62 -3.15 0.11 5.56 4.01 -0.48 -4.78 118.16 120.04 1fjg n LYS 43 Ca 0.15 0.37 0.07 0.00 -0.51 0.00 0.00 58.31 58.39 1fjg n LYS 43 Cb 0.35 -5.10 0.38 0.00 -0.51 0.00 0.00 35.03 30.15 1fjg n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1fjg n THR 44 N -4.38 1.36 -3.88 -0.18 -2.24 -1.26 -4.61 114.28 99.08 1fjg n THR 44 Ca 0.08 0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 62.41 1fjg n THR 44 Cb 0.49 -1.66 -0.09 0.00 -2.10 0.00 0.00 70.33 66.98 1fjg n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fjg s THR 45 N -3.35 0.12 0.29 4.28 -4.23 -1.26 -5.05 115.64 106.44 1fjg s THR 45 Ca -0.02 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1fjg s THR 45 Cb 0.04 -0.96 0.28 0.00 1.34 0.00 0.00 72.50 73.20 1fjg s THR 45 CO 0.13 -0.56 1.72 1.55 -0.54 0.00 0.00 174.62 176.92 1fjg h PRO 46 N 3.45 0.49 -3.57 3.99 0.13 -2.02 -3.07 132.00 131.40 1fjg h PRO 46 Ca -0.32 -0.03 -0.76 0.00 -0.87 0.00 0.00 66.00 64.01 1fjg h PRO 46 Cb 1.19 -0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.03 1fjg h PRO 46 CO 0.50 0.32 1.68 -3.47 -0.23 0.00 0.00 178.00 176.80 1fjg n ASP 47 N -4.96 5.35 -1.32 1.44 4.64 -1.26 -4.74 116.55 115.70 1fjg n ASP 47 Ca 0.22 -3.14 0.10 0.00 -1.38 0.00 0.00 54.79 50.58 1fjg n ASP 47 Cb 0.61 -1.45 0.31 0.00 -1.04 0.00 0.00 41.12 39.54 1fjg n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 1fjg n TRP 48 N 3.62 1.05 -3.15 -0.67 4.27 -1.16 -4.82 117.44 116.58 1fjg n TRP 48 Ca 0.36 -0.48 0.04 0.00 -3.89 0.00 0.00 57.50 53.53 1fjg n TRP 48 Cb 0.37 -0.07 -0.01 0.00 -1.36 0.00 0.00 31.31 30.23 1fjg n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1fjg s LEU 49 N -1.23 -1.30 0.15 5.67 2.96 -1.26 -1.05 118.68 122.63 1fjg s LEU 49 Ca 0.46 0.73 0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1fjg s LEU 49 Cb 0.26 2.06 -0.04 0.00 0.50 0.00 0.00 46.19 48.96 1fjg s LEU 49 CO 0.28 -0.24 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.14 1fjg s LYS 50 N 2.87 1.77 0.00 1.98 2.20 -1.06 -5.00 119.74 122.50 1fjg s LYS 50 Ca 0.17 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.48 1fjg s LYS 50 Cb -0.14 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1fjg s LYS 50 CO -0.20 0.45 0.00 0.28 -0.36 0.00 0.00 175.35 175.51 1fjg n VAL 51 N 0.46 0.00 -3.30 4.02 0.31 -1.26 -2.57 118.33 115.98 1fjg n VAL 51 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 1fjg n VAL 51 Cb 0.54 -0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 1fjg n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1fjg n ASP 52 N -0.27 -6.81 0.29 4.52 4.64 -1.26 -4.40 116.55 113.27 1fjg n ASP 52 Ca 0.00 -0.41 0.15 0.00 -1.38 0.00 0.00 54.79 53.14 1fjg n ASP 52 Cb 0.01 -4.26 0.89 0.00 -1.04 0.00 0.00 41.12 36.72 1fjg n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1fjg h VAL 53 N -0.01 0.56 -0.01 5.18 -1.51 -1.90 -2.53 116.25 116.02 1fjg h VAL 53 Ca -0.25 -0.04 0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1fjg h VAL 53 Cb 1.15 1.03 -0.05 0.00 -2.13 0.00 0.00 31.29 31.28 1fjg h VAL 53 CO 0.34 0.01 -0.32 -0.08 -1.23 0.00 0.00 177.57 176.29 1fjg h GLU 54 N 0.00 -0.45 -0.34 5.19 4.57 -1.99 0.21 114.58 121.77 1fjg h GLU 54 Ca -0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1fjg h GLU 54 Cb 0.03 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1fjg h GLU 54 CO 0.00 -0.30 0.02 0.00 -1.18 0.00 0.00 179.01 177.55 1fjg h ARG 55 N -0.47 0.59 0.13 1.92 2.47 -1.80 -2.41 114.38 114.82 1fjg h ARG 55 Ca 0.06 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1fjg h ARG 55 Cb 0.56 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.78 1fjg h ARG 55 CO -0.28 0.70 -0.53 0.00 0.56 0.00 0.00 179.97 180.42 1fjg h ALA 56 N 0.87 -1.01 -1.44 0.04 0.00 -1.21 0.52 119.26 117.03 1fjg h ALA 56 Ca 0.10 -0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.31 1fjg h ALA 56 Cb 0.43 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1fjg h ALA 56 CO 0.01 -1.14 1.05 0.00 0.00 0.00 0.00 179.25 179.18 1fjg h ARG 57 N -0.76 0.00 0.17 0.00 3.08 -0.47 0.15 114.38 116.54 1fjg h ARG 57 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1fjg h ARG 57 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1fjg h ARG 57 CO -0.29 0.00 -0.08 -0.92 -1.07 0.00 0.00 179.97 177.61 1fjg h TYR 58 N 0.00 -0.21 -0.89 3.04 5.03 0.46 -2.55 116.97 121.85 1fjg h TYR 58 Ca 0.68 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 62.11 1fjg h TYR 58 Cb 2.78 0.07 -0.08 0.00 1.55 0.00 0.00 36.73 41.04 1fjg h TYR 58 CO 0.00 0.08 0.51 -1.49 -1.32 0.00 0.00 178.16 175.94 1fjg h TRP 59 N -1.00 0.92 -0.51 -3.82 4.06 0.79 0.30 115.95 116.68 1fjg h TRP 59 Ca -0.02 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1fjg h TRP 59 Cb 0.38 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1fjg h TRP 59 CO 0.05 0.32 0.29 -0.07 -3.56 0.00 0.00 178.44 175.47 1fjg h LEU 60 N 0.79 0.62 0.00 -4.49 3.38 -1.21 0.16 115.31 114.56 1fjg h LEU 60 Ca 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1fjg h LEU 60 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1fjg h LEU 60 CO -0.29 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 1fjg n SER 61 N -4.41 0.00 -0.12 -0.43 3.41 0.99 -2.66 113.62 110.40 1fjg n SER 61 Ca 0.04 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1fjg n SER 61 Cb 0.09 -0.48 0.15 0.00 -0.26 0.00 0.00 64.21 63.71 1fjg n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1fjg n VAL 62 N -1.48 1.91 -0.11 -3.33 0.31 0.33 -4.95 118.33 111.00 1fjg n VAL 62 Ca 0.04 -2.24 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 1fjg n VAL 62 Cb 0.17 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1fjg n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjg n GLY 63 N -1.38 0.84 3.76 2.92 0.00 -1.09 -5.06 105.19 105.19 1fjg n GLY 63 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1fjg n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg s ALA 64 N -2.06 2.90 -0.29 4.61 0.00 0.03 -4.70 121.76 122.25 1fjg s ALA 64 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1fjg s ALA 64 Cb 0.00 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1fjg s ALA 64 CO 0.00 -1.18 0.06 -1.14 0.00 0.00 0.00 175.76 173.51 1fjg s GLN 65 N -2.80 0.96 0.61 0.00 2.00 -0.93 -4.61 119.66 114.89 1fjg s GLN 65 Ca 0.68 -1.14 -0.19 0.00 -2.00 0.00 0.00 55.36 52.72 1fjg s GLN 65 Cb -0.38 -2.29 -0.03 0.00 0.80 0.00 0.00 33.01 31.11 1fjg s GLN 65 CO 0.45 -0.89 1.26 -1.25 -0.50 0.00 0.00 175.29 174.36 1fjg s PRO 66 N 1.49 2.83 0.82 1.67 0.04 -1.26 -2.94 135.00 137.65 1fjg s PRO 66 Ca 0.07 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1fjg s PRO 66 Cb -0.18 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1fjg s PRO 66 CO -0.18 -1.35 1.09 0.99 0.04 0.00 0.00 177.00 177.59 1fjg s THR 67 N -1.48 2.98 0.34 1.26 2.01 -0.69 -4.77 115.64 115.28 1fjg s THR 67 Ca 0.79 0.32 0.03 0.00 0.31 0.00 0.00 61.69 63.13 1fjg s THR 67 Cb -0.34 -2.97 0.21 0.00 0.01 0.00 0.00 72.50 69.40 1fjg s THR 67 CO 0.37 -0.41 1.93 0.44 -0.69 0.00 0.00 174.62 176.26 1fjg h ASP 68 N -1.22 0.64 0.08 3.53 3.32 -1.95 -0.55 116.42 120.27 1fjg h ASP 68 Ca -0.48 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.29 1fjg h ASP 68 Cb 1.27 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.68 1fjg h ASP 68 CO 0.57 0.57 -0.89 0.74 -1.72 0.00 0.00 179.24 178.52 1fjg h THR 69 N 0.70 1.40 -0.64 0.35 2.02 -1.96 -2.79 112.91 111.99 1fjg h THR 69 Ca 0.17 -2.34 0.11 0.00 0.77 0.00 0.00 66.41 65.12 1fjg h THR 69 Cb 0.13 2.81 -0.08 0.00 -1.74 0.00 0.00 68.15 69.26 1fjg h THR 69 CO -0.02 0.69 0.21 0.00 0.37 0.00 0.00 175.52 176.77 1fjg h ALA 70 N 0.24 0.82 -0.78 6.16 0.00 -1.77 -0.88 119.26 123.05 1fjg h ALA 70 Ca -0.13 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1fjg h ALA 70 Cb 1.62 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1fjg h ALA 70 CO 0.17 -0.23 0.41 -0.09 0.00 0.00 0.00 179.25 179.51 1fjg h ARG 71 N 0.37 1.09 -0.67 0.00 2.43 -1.14 0.11 114.38 116.56 1fjg h ARG 71 Ca 0.33 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 1fjg h ARG 71 Cb 0.47 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 1fjg h ARG 71 CO -0.36 0.82 0.32 -0.09 -1.51 0.00 0.00 179.97 179.16 1fjg h ARG 72 N 1.08 0.55 -0.07 0.20 2.43 -0.90 0.55 114.38 118.23 1fjg h ARG 72 Ca 0.27 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1fjg h ARG 72 Cb 0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1fjg h ARG 72 CO -0.04 0.36 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.44 1fjg h LEU 73 N 0.56 0.35 -0.77 3.80 3.38 -1.00 -1.44 115.31 120.20 1fjg h LEU 73 Ca 0.33 -0.64 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1fjg h LEU 73 Cb 0.34 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1fjg h LEU 73 CO -0.26 0.93 0.41 -0.07 0.09 0.00 0.00 178.44 179.54 1fjg h LEU 74 N -0.21 0.56 0.84 1.67 -0.00 -0.26 -0.41 115.31 117.51 1fjg h LEU 74 Ca -0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1fjg h LEU 74 Cb 0.91 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.53 1fjg h LEU 74 CO 0.06 0.32 -0.41 -0.09 -0.00 0.00 0.00 178.44 178.31 1fjg h ARG 75 N 0.69 -1.10 -1.27 1.13 2.43 0.14 -0.72 114.38 115.69 1fjg h ARG 75 Ca 0.37 0.08 0.37 0.00 -0.81 0.00 0.00 59.98 59.99 1fjg h ARG 75 Cb 0.37 0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1fjg h ARG 75 CO -0.26 -0.73 0.91 0.37 -1.51 0.00 0.00 179.97 178.75 1fjg h GLN 76 N -1.14 0.00 -0.06 0.20 4.15 -0.63 1.93 115.11 119.57 1fjg h GLN 76 Ca -0.12 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1fjg h GLN 76 Cb 0.88 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1fjg h GLN 76 CO 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.09 1fjg n ALA 77 N -2.78 2.59 -0.91 3.38 0.00 -0.22 -4.88 120.51 117.68 1fjg n ALA 77 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1fjg n ALA 77 Cb 1.32 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1fjg n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjg n GLY 78 N 0.98 0.52 0.32 0.00 0.00 0.66 -4.89 105.19 102.78 1fjg n GLY 78 Ca 0.17 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1fjg n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fjg h VAL 79 N 0.00 0.71 0.00 1.61 2.07 -1.20 -2.96 116.25 116.48 1fjg h VAL 79 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1fjg h VAL 79 Cb 0.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1fjg h VAL 79 CO 0.00 0.00 -1.62 0.49 0.02 0.00 0.00 177.57 176.46 1fjg n PHE 80 N -4.19 0.00 -1.62 1.57 3.01 -1.26 -4.86 117.46 110.10 1fjg n PHE 80 Ca 0.02 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 57.95 1fjg n PHE 80 Cb 0.32 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1fjg n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1fjg n ARG 81 N -1.97 1.42 -0.10 -1.08 0.63 -1.12 -4.85 116.66 109.59 1fjg n ARG 81 Ca -0.02 0.49 -0.18 0.00 -0.92 0.00 0.00 57.85 57.22 1fjg n ARG 81 Cb 0.38 -2.36 -0.13 0.00 0.45 0.00 0.00 32.46 30.80 1fjg n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fjg n GLN 82 N 6.59 0.68 0.00 -0.14 10.64 -1.26 -5.07 117.38 128.82 1fjg n GLN 82 Ca 0.30 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 1fjg n GLN 82 Cb 0.20 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 1fjg n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62