#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr3 s LYS 2 N 0.00 4.05 -0.07 0.03 1.02 -1.26 -5.07 119.74 118.45 1fr3 s LYS 2 Ca 0.00 1.03 0.04 0.00 0.02 0.00 0.00 55.97 57.06 1fr3 s LYS 2 Cb 0.00 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1fr3 s LYS 2 CO 0.00 -0.18 -0.20 0.42 -0.92 0.00 0.00 175.35 174.47 1fr3 s ILE 3 N -2.44 1.72 0.31 2.17 1.01 -1.26 -5.03 121.20 117.69 1fr3 s ILE 3 Ca 0.60 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1fr3 s ILE 3 Cb -0.10 -1.49 0.15 0.00 0.01 0.00 0.00 42.46 41.03 1fr3 s ILE 3 CO 0.24 0.49 1.84 0.77 0.00 0.00 0.00 174.94 178.28 1fr3 h SER 4 N 6.53 0.57 -1.68 3.58 4.64 -2.02 -3.42 113.55 121.74 1fr3 h SER 4 Ca -0.27 -0.11 -0.69 0.00 -0.47 0.00 0.00 61.79 60.24 1fr3 h SER 4 Cb 1.20 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1fr3 h SER 4 CO 0.47 0.64 1.02 0.61 -0.87 0.00 0.00 176.83 178.69 1fr3 n GLY 5 N -0.81 1.05 0.16 -0.77 0.00 -1.26 -4.82 105.19 98.73 1fr3 n GLY 5 Ca 0.02 0.91 0.05 0.00 0.00 0.00 0.00 46.02 47.00 1fr3 n GLY 5 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fr3 h ARG 6 N 8.34 0.00 -4.98 1.61 2.47 -1.82 -3.44 114.38 116.55 1fr3 h ARG 6 Ca -0.46 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.59 1fr3 h ARG 6 Cb 1.30 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.45 1fr3 h ARG 6 CO 0.96 0.39 -0.19 -0.80 0.56 0.00 0.00 179.97 180.88 1fr3 s ASN 7 N -6.38 6.22 -0.15 7.04 0.01 -0.81 -5.00 114.94 115.85 1fr3 s ASN 7 Ca 0.04 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1fr3 s ASN 7 Cb 0.08 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.52 1fr3 s ASN 7 CO 0.72 -0.49 -0.21 -0.54 -1.51 0.00 0.00 177.10 175.07 1fr3 s LYS 8 N 2.17 3.04 -0.21 -0.60 3.01 -1.26 -1.30 119.74 124.59 1fr3 s LYS 8 Ca 0.14 -0.84 0.02 0.00 -1.01 0.00 0.00 55.97 54.27 1fr3 s LYS 8 Cb -0.16 -2.49 0.04 0.00 -1.01 0.00 0.00 37.83 34.20 1fr3 s LYS 8 CO 0.13 -0.05 -0.15 -0.51 0.51 0.00 0.00 175.35 175.28 1fr3 s LEU 9 N 0.92 2.56 -0.41 3.17 1.43 -0.15 -4.95 118.68 121.25 1fr3 s LEU 9 Ca -0.04 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 51.84 1fr3 s LEU 9 Cb -0.15 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1fr3 s LEU 9 CO -0.04 -0.09 1.36 -1.61 0.23 0.00 0.00 176.35 176.20 1fr3 s GLU 10 N 1.26 3.63 0.39 1.70 2.02 -1.26 -0.41 118.70 126.02 1fr3 s GLU 10 Ca -0.01 0.91 0.04 0.00 0.02 0.00 0.00 54.97 55.93 1fr3 s GLU 10 Cb -0.16 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 1fr3 s GLU 10 CO -0.09 -1.50 0.14 0.00 0.02 0.00 0.00 175.26 173.83 1fr3 s ALA 11 N 5.19 2.72 -0.05 5.21 0.00 0.34 -4.74 121.76 130.43 1fr3 s ALA 11 Ca 0.59 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1fr3 s ALA 11 Cb -0.13 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1fr3 s ALA 11 CO 0.32 -0.38 -0.25 0.99 0.00 0.00 0.00 175.76 176.44 1fr3 s THR 12 N -3.27 2.05 0.01 0.00 2.01 -0.50 -1.01 115.64 114.92 1fr3 s THR 12 Ca 0.27 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1fr3 s THR 12 Cb 0.03 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1fr3 s THR 12 CO 0.16 0.57 1.10 -0.69 -0.69 0.00 0.00 174.62 175.07 1fr3 s VAL 13 N -0.26 4.45 -0.18 3.82 1.01 -0.11 -0.57 120.40 128.57 1fr3 s VAL 13 Ca -0.01 1.76 0.08 0.00 0.00 0.00 0.00 61.98 63.82 1fr3 s VAL 13 Cb -0.13 -4.13 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1fr3 s VAL 13 CO 0.03 0.11 -0.05 0.29 0.00 0.00 0.00 175.10 175.47 1fr3 n LYS 14 N 4.17 0.98 -3.65 2.72 5.02 0.38 0.44 118.16 128.22 1fr3 n LYS 14 Ca 0.08 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.27 1fr3 n LYS 14 Cb 0.48 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1fr3 n LYS 14 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fr3 s GLU 15 N -2.40 0.79 -0.07 1.97 2.12 -1.05 -4.80 118.70 115.26 1fr3 s GLU 15 Ca -0.17 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1fr3 s GLU 15 Cb 0.06 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.84 1fr3 s GLU 15 CO 0.57 -0.20 -0.06 0.42 -0.54 0.00 0.00 175.26 175.46 1fr3 s ILE 16 N -0.71 0.77 -0.18 -3.70 1.01 -1.26 -0.71 121.20 116.42 1fr3 s ILE 16 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1fr3 s ILE 16 Cb -0.03 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.68 1fr3 s ILE 16 CO 0.05 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 1fr3 s VAL 17 N 1.26 1.86 -0.22 2.92 1.01 -0.50 -4.98 120.40 121.75 1fr3 s VAL 17 Ca -0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1fr3 s VAL 17 Cb -0.14 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1fr3 s VAL 17 CO -0.02 0.43 0.20 -0.54 0.00 0.00 0.00 175.10 175.17 1fr3 s LYS 18 N 1.35 4.12 0.00 2.72 1.02 -1.26 -0.45 119.74 127.25 1fr3 s LYS 18 Ca 0.03 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1fr3 s LYS 18 Cb -0.14 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1fr3 s LYS 18 CO -0.11 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 1fr3 n GLY 19 N 4.04 1.92 0.20 -3.33 0.00 0.83 -5.00 105.19 103.85 1fr3 n GLY 19 Ca -0.14 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 1fr3 n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fr3 h THR 20 N -0.00 1.34 0.00 2.61 2.02 -2.03 -3.41 112.91 113.45 1fr3 h THR 20 Ca 0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1fr3 h THR 20 Cb 0.00 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1fr3 h THR 20 CO 0.00 0.55 -0.86 0.52 0.37 0.00 0.00 175.52 176.10 1fr3 n VAL 21 N -3.94 0.00 -4.02 3.16 0.31 -1.26 -4.92 118.33 107.66 1fr3 n VAL 21 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.09 1fr3 n VAL 21 Cb 0.59 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 1fr3 n VAL 21 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1fr3 s MET 22 N -1.95 3.25 -0.02 5.55 -1.94 -1.26 -1.28 119.30 121.64 1fr3 s MET 22 Ca 0.00 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1fr3 s MET 22 Cb 0.00 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 1fr3 s MET 22 CO 0.00 0.43 -0.15 0.00 -0.01 0.00 0.00 175.02 175.29 1fr3 s ALA 23 N -2.01 1.28 -0.23 3.03 0.00 0.87 -0.12 121.76 124.58 1fr3 s ALA 23 Ca 0.34 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1fr3 s ALA 23 Cb -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1fr3 s ALA 23 CO 0.27 0.27 0.48 0.21 0.00 0.00 0.00 175.76 176.99 1fr3 s LYS 24 N -0.13 4.12 -0.36 0.00 2.20 0.41 -1.83 119.74 124.15 1fr3 s LYS 24 Ca 0.01 0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 1fr3 s LYS 24 Cb -0.08 -3.60 0.06 0.00 -1.51 0.00 0.00 37.83 32.70 1fr3 s LYS 24 CO 0.00 -0.21 0.13 0.42 -0.36 0.00 0.00 175.35 175.33 1fr3 s ILE 25 N 1.86 3.58 -0.18 5.43 -1.09 0.35 -1.41 121.20 129.74 1fr3 s ILE 25 Ca 0.21 -1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 57.05 1fr3 s ILE 25 Cb -0.15 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1fr3 s ILE 25 CO 0.09 -0.33 0.38 -0.69 -1.23 0.00 0.00 174.94 173.17 1fr3 s VAL 26 N 1.32 5.23 0.25 2.92 1.01 0.11 -1.25 120.40 129.98 1fr3 s VAL 26 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1fr3 s VAL 26 Cb -0.21 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1fr3 s VAL 26 CO 0.00 0.30 -0.02 -0.04 0.00 0.00 0.00 175.10 175.34 1fr3 s MET 27 N 0.98 1.41 -0.11 2.72 -1.94 0.34 -0.47 119.30 122.23 1fr3 s MET 27 Ca 0.19 -1.72 0.03 0.00 -1.71 0.00 0.00 55.69 52.49 1fr3 s MET 27 Cb -0.14 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.87 1fr3 s MET 27 CO 0.07 -0.04 -0.21 0.34 -0.01 0.00 0.00 175.02 175.17 1fr3 s ASP 28 N -3.36 3.38 -0.33 3.03 -1.08 0.26 -0.31 116.67 118.26 1fr3 s ASP 28 Ca 0.29 -0.48 0.03 0.00 -0.52 0.00 0.00 52.55 51.87 1fr3 s ASP 28 Cb 0.05 -1.42 0.10 0.00 -1.46 0.00 0.00 42.92 40.18 1fr3 s ASP 28 CO 0.10 0.17 0.05 -0.47 0.52 0.00 0.00 175.17 175.54 1fr3 s TYR 29 N 0.29 3.36 -1.58 -5.34 5.04 0.63 -1.41 117.35 118.34 1fr3 s TYR 29 Ca -0.15 -2.74 -0.07 0.00 -2.44 0.00 0.00 57.07 51.67 1fr3 s TYR 29 Cb -0.17 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 39.55 1fr3 s TYR 29 CO 0.08 -0.93 0.41 1.63 -1.34 0.00 0.00 175.55 175.40 1fr3 n LYS 30 N 4.37 -2.30 -0.22 4.97 5.02 -1.26 -0.53 118.16 128.21 1fr3 n LYS 30 Ca 0.02 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1fr3 n LYS 30 Cb 0.42 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 1fr3 n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fr3 n GLY 31 N -1.90 1.04 3.68 0.72 0.00 -1.26 -5.05 105.19 102.42 1fr3 n GLY 31 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1fr3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fr3 s THR 32 N -2.67 4.92 0.03 2.61 2.01 0.31 -5.08 115.64 117.78 1fr3 s THR 32 Ca 0.00 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1fr3 s THR 32 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1fr3 s THR 32 CO 0.00 0.49 0.95 -0.70 -0.69 0.00 0.00 174.62 174.67 1fr3 s GLU 33 N 0.10 4.60 0.15 4.92 2.12 -1.26 -0.27 118.70 129.05 1fr3 s GLU 33 Ca 0.06 1.39 0.07 0.00 0.36 0.00 0.00 54.97 56.85 1fr3 s GLU 33 Cb -0.12 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1fr3 s GLU 33 CO 0.00 0.06 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.22 1fr3 s LEU 34 N 0.62 3.17 -0.08 2.70 1.43 0.57 -4.95 118.68 122.14 1fr3 s LEU 34 Ca 0.49 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1fr3 s LEU 34 Cb -0.22 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1fr3 s LEU 34 CO 0.28 0.13 0.01 -0.69 0.23 0.00 0.00 176.35 176.31 1fr3 s VAL 35 N -1.52 0.34 0.01 -1.59 1.01 -1.26 -0.50 120.40 116.88 1fr3 s VAL 35 Ca 0.25 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1fr3 s VAL 35 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1fr3 s VAL 35 CO 0.16 0.21 -0.12 0.00 0.00 0.00 0.00 175.10 175.35 1fr3 s ALA 36 N 1.98 2.81 -0.31 5.51 0.00 -0.38 -4.97 121.76 126.42 1fr3 s ALA 36 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1fr3 s ALA 36 Cb -0.13 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.08 1fr3 s ALA 36 CO -0.05 0.59 0.01 0.00 0.00 0.00 0.00 175.76 176.30 1fr3 s ALA 37 N -0.92 2.82 0.45 0.00 0.00 -1.26 -0.50 121.76 122.35 1fr3 s ALA 37 Ca 0.15 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1fr3 s ALA 37 Cb -0.11 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1fr3 s ALA 37 CO 0.05 -1.32 0.04 0.96 0.00 0.00 0.00 175.76 175.50 1fr3 s ILE 38 N 1.22 1.18 0.57 0.00 -4.36 -0.76 -4.93 121.20 114.13 1fr3 s ILE 38 Ca -0.04 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.20 1fr3 s ILE 38 Cb -0.20 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 1fr3 s ILE 38 CO -0.02 0.00 1.03 0.42 0.24 0.00 0.00 174.94 176.61 1fr3 s THR 39 N -2.97 4.22 0.41 8.37 -4.23 -1.26 -0.09 115.64 120.08 1fr3 s THR 39 Ca 0.18 0.99 0.18 0.00 -1.18 0.00 0.00 61.69 61.87 1fr3 s THR 39 Cb 0.04 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.50 1fr3 s THR 39 CO 0.10 -0.68 1.96 0.16 -0.54 0.00 0.00 174.62 175.62 1fr3 h ILE 40 N 0.44 0.98 -0.96 2.99 3.07 -1.46 -1.69 117.51 120.88 1fr3 h ILE 40 Ca -0.46 -0.80 0.06 0.00 1.55 0.00 0.00 64.86 65.21 1fr3 h ILE 40 Cb 1.20 1.45 -0.06 0.00 -0.27 0.00 0.00 36.82 39.14 1fr3 h ILE 40 CO 0.59 0.21 0.63 0.44 -1.05 0.00 0.00 178.15 178.98 1fr3 h ASP 41 N 0.00 1.00 -0.02 2.16 5.19 -1.92 -1.33 116.42 121.51 1fr3 h ASP 41 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1fr3 h ASP 41 Cb 0.43 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1fr3 h ASP 41 CO 0.03 0.65 -0.29 0.28 -3.12 0.00 0.00 179.24 176.79 1fr3 h SER 42 N 1.14 0.47 -0.60 6.45 0.02 -1.68 -0.39 113.55 118.96 1fr3 h SER 42 Ca 0.41 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1fr3 h SER 42 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1fr3 h SER 42 CO -0.15 0.74 0.37 0.58 -1.14 0.00 0.00 176.83 177.23 1fr3 h VAL 43 N 0.40 1.17 -0.13 2.27 2.07 -1.19 -0.71 116.25 120.14 1fr3 h VAL 43 Ca 0.05 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1fr3 h VAL 43 Cb 0.71 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1fr3 h VAL 43 CO 0.05 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.69 1fr3 h ALA 44 N 1.19 0.20 -0.34 1.67 0.00 -1.21 -0.74 119.26 120.02 1fr3 h ALA 44 Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fr3 h ALA 44 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fr3 h ALA 44 CO -0.04 0.06 0.20 0.22 0.00 0.00 0.00 179.25 179.69 1fr3 h ASP 45 N -0.05 0.33 0.71 0.00 3.58 -0.94 -2.04 116.42 118.01 1fr3 h ASP 45 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1fr3 h ASP 45 Cb 0.65 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1fr3 h ASP 45 CO 0.03 0.24 -0.04 0.18 -2.88 0.00 0.00 179.24 176.77 1fr3 n LEU 46 N -4.89 0.08 -3.80 2.28 4.32 -0.28 -4.92 117.00 109.79 1fr3 n LEU 46 Ca -0.00 0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 56.06 1fr3 n LEU 46 Cb 0.05 -0.35 0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1fr3 n LEU 46 CO 0.33 0.02 -0.04 0.47 -1.22 0.00 0.00 177.39 176.94 1fr3 n ASP 47 N -1.34 -2.00 -4.72 -1.43 8.00 -0.39 -4.90 116.55 109.78 1fr3 n ASP 47 Ca 0.11 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 1fr3 n ASP 47 Cb 0.29 -3.86 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 1fr3 n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fr3 s LEU 48 N -6.88 4.38 -0.02 0.64 1.43 -0.58 -5.03 118.68 112.62 1fr3 s LEU 48 Ca 0.18 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 1fr3 s LEU 48 Cb -0.09 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1fr3 s LEU 48 CO 0.83 -0.55 0.05 -0.69 0.23 0.00 0.00 176.35 176.21 1fr3 s VAL 49 N 0.98 -0.00 0.16 -1.59 1.01 -1.26 -4.94 120.40 114.75 1fr3 s VAL 49 Ca 0.61 0.01 -0.34 0.00 0.00 0.00 0.00 61.98 62.26 1fr3 s VAL 49 Cb -0.33 -0.07 -0.15 0.00 0.00 0.00 0.00 36.38 35.82 1fr3 s VAL 49 CO 0.30 0.00 1.33 -2.65 0.00 0.00 0.00 175.10 174.09 1fr3 n PRO 50 N 3.10 1.51 0.00 2.72 -0.02 -1.26 -1.25 135.00 139.80 1fr3 n PRO 50 Ca -0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1fr3 n PRO 50 Cb 0.59 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1fr3 n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fr3 n GLY 51 N 2.42 2.84 3.76 -1.23 0.00 0.17 -4.99 105.19 108.16 1fr3 n GLY 51 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1fr3 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fr3 s ASP 52 N -1.42 5.43 -0.16 1.61 1.01 -0.38 -4.67 116.67 118.09 1fr3 s ASP 52 Ca 0.00 2.49 -0.20 0.00 0.71 0.00 0.00 52.55 55.55 1fr3 s ASP 52 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1fr3 s ASP 52 CO 0.00 -1.44 0.57 -0.54 0.21 0.00 0.00 175.17 173.97 1fr3 s LYS 53 N -3.06 4.26 0.30 8.23 -0.14 -1.26 -0.93 119.74 127.14 1fr3 s LYS 53 Ca 0.73 0.54 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 1fr3 s LYS 53 Cb -0.33 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 32.26 1fr3 s LYS 53 CO 0.38 -0.08 0.20 0.14 -0.76 0.00 0.00 175.35 175.23 1fr3 s VAL 54 N 1.40 0.14 -0.20 3.17 -7.23 -0.18 -4.99 120.40 112.50 1fr3 s VAL 54 Ca 0.28 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1fr3 s VAL 54 Cb -0.16 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1fr3 s VAL 54 CO 0.11 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.85 1fr3 s THR 55 N -3.62 2.00 0.15 5.32 2.01 -1.26 -0.50 115.64 119.74 1fr3 s THR 55 Ca 0.38 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1fr3 s THR 55 Cb 0.04 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.55 1fr3 s THR 55 CO 0.21 0.32 1.00 0.00 -0.69 0.00 0.00 174.62 175.46 1fr3 s ALA 56 N 1.26 3.29 -0.07 7.40 0.00 0.45 -4.85 121.76 129.24 1fr3 s ALA 56 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1fr3 s ALA 56 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1fr3 s ALA 56 CO -0.10 -0.04 -0.19 -1.17 0.00 0.00 0.00 175.76 174.26 1fr3 s LEU 57 N -0.29 1.89 -0.05 0.00 2.96 -1.26 -0.98 118.68 120.96 1fr3 s LEU 57 Ca 0.47 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1fr3 s LEU 57 Cb -0.25 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.34 1fr3 s LEU 57 CO 0.32 0.12 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.75 1fr3 s VAL 58 N 0.38 0.45 0.43 1.68 1.01 -0.42 -5.02 120.40 118.91 1fr3 s VAL 58 Ca -0.14 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1fr3 s VAL 58 Cb -0.16 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1fr3 s VAL 58 CO 0.06 0.23 1.25 -0.75 0.00 0.00 0.00 175.10 175.89 1fr3 s LYS 59 N 1.35 3.85 0.33 2.72 2.20 -1.26 -1.93 119.74 127.00 1fr3 s LYS 59 Ca -0.04 2.02 0.04 0.00 -0.36 0.00 0.00 55.97 57.63 1fr3 s LYS 59 Cb -0.13 -2.62 0.67 0.00 -1.51 0.00 0.00 37.83 34.24 1fr3 s LYS 59 CO -0.02 -0.54 1.90 0.00 -0.36 0.00 0.00 175.35 176.33 1fr3 h ALA 60 N 2.41 1.65 0.00 3.13 0.00 -1.92 -1.15 119.26 123.38 1fr3 h ALA 60 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1fr3 h ALA 60 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fr3 h ALA 60 CO 0.61 0.18 0.00 0.25 0.00 0.00 0.00 179.25 180.29 1fr3 n THR 61 N -4.52 0.76 0.30 0.00 -2.24 -1.26 -2.48 114.28 104.85 1fr3 n THR 61 Ca 0.15 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1fr3 n THR 61 Cb 0.30 -0.90 0.20 0.00 -2.10 0.00 0.00 70.33 67.82 1fr3 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fr3 n GLU 62 N -1.45 2.41 -3.84 -0.78 4.71 -0.43 -4.91 120.64 116.35 1fr3 n GLU 62 Ca 0.05 -2.21 -0.36 0.00 -0.01 0.00 0.00 57.16 54.63 1fr3 n GLU 62 Cb 0.18 -1.48 -0.13 0.00 -1.01 0.00 0.00 31.44 29.00 1fr3 n GLU 62 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1fr3 s MET 63 N -1.44 3.62 0.51 3.49 1.75 -1.03 -4.97 119.30 121.23 1fr3 s MET 63 Ca 0.36 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1fr3 s MET 63 Cb 0.21 -3.23 0.02 0.00 2.84 0.00 0.00 34.83 34.67 1fr3 s MET 63 CO 0.30 -0.14 0.74 -1.21 -0.65 0.00 0.00 175.02 174.06 1fr3 s GLU 64 N 1.44 2.77 -0.07 4.11 2.02 -1.26 -5.06 118.70 122.66 1fr3 s GLU 64 Ca 0.05 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.45 1fr3 s GLU 64 Cb -0.15 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.58 1fr3 s GLU 64 CO 0.02 -0.53 -0.15 0.08 0.02 0.00 0.00 175.26 174.70 1fr3 s VAL 65 N -2.69 1.32 -0.02 2.63 1.01 -1.26 -5.14 120.40 116.26 1fr3 s VAL 65 Ca 0.53 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1fr3 s VAL 65 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1fr3 s VAL 65 CO 0.38 0.39 -0.18 -0.76 0.00 0.00 0.00 175.10 174.94 1fr3 s LEU 66 N 0.52 2.56 0.00 3.92 1.43 -1.26 -5.34 118.68 120.50 1fr3 s LEU 66 Ca -0.14 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1fr3 s LEU 66 Cb -0.15 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1fr3 s LEU 66 CO 0.04 0.32 0.02 1.17 0.23 0.00 0.00 176.35 178.13