#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 4.07 -0.09 0.03 1.02 -1.26 -5.07 119.74 118.44 1fr3 s LYS 2 Ca 0.00 0.96 0.04 0.00 0.02 0.00 0.00 55.97 57.00 1fr3 s LYS 2 Cb 0.00 -2.21 -0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1fr3 s LYS 2 CO 0.00 -0.09 -0.24 0.42 -0.92 0.00 0.00 175.35 174.52 1fr3 s ILE 3 N -2.32 2.06 0.33 2.17 1.01 -1.26 -5.03 121.20 118.16 1fr3 s ILE 3 Ca 0.59 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1fr3 s ILE 3 Cb -0.10 -1.77 0.16 0.00 0.01 0.00 0.00 42.46 40.76 1fr3 s ILE 3 CO 0.21 0.56 1.87 0.77 0.00 0.00 0.00 174.94 178.35 1fr3 h SER 4 N 6.62 0.51 -0.95 3.58 4.64 -2.03 -3.42 113.55 122.50 1fr3 h SER 4 Ca -0.21 -0.09 -0.73 0.00 -0.47 0.00 0.00 61.79 60.29 1fr3 h SER 4 Cb 1.23 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1fr3 h SER 4 CO 0.47 0.57 1.21 0.61 -0.87 0.00 0.00 176.83 178.82 1fr3 n GLY 5 N -0.88 0.43 0.13 -0.77 0.00 -1.26 -4.82 105.19 98.02 1fr3 n GLY 5 Ca 0.02 0.98 -0.01 0.00 0.00 0.00 0.00 46.02 47.01 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 9.70 0.00 -5.23 1.61 2.47 -1.82 -3.44 114.38 117.67 1fr3 h ARG 6 Ca -0.29 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.77 1fr3 h ARG 6 Cb 1.35 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.51 1fr3 h ARG 6 CO 1.02 0.64 -0.02 -0.80 0.56 0.00 0.00 179.97 181.37 1fr3 s ASN 7 N -6.76 6.30 -0.20 7.04 0.01 -0.80 -5.00 114.94 115.54 1fr3 s ASN 7 Ca -0.01 -0.22 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1fr3 s ASN 7 Cb 0.12 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1fr3 s ASN 7 CO 0.76 -0.59 -0.11 -0.54 -1.51 0.00 0.00 177.10 175.11 1fr3 s LYS 8 N 2.49 3.23 -0.23 -0.60 3.01 -1.26 -1.30 119.74 125.07 1fr3 s LYS 8 Ca 0.19 -0.71 0.02 0.00 -1.01 0.00 0.00 55.97 54.46 1fr3 s LYS 8 Cb -0.15 -2.81 0.05 0.00 -1.01 0.00 0.00 37.83 33.91 1fr3 s LYS 8 CO 0.15 -0.17 -0.14 -0.51 0.51 0.00 0.00 175.35 175.19 1fr3 s LEU 9 N 1.31 2.97 -0.53 3.17 1.43 -0.20 -4.95 118.68 121.88 1fr3 s LEU 9 Ca 0.04 -1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 51.72 1fr3 s LEU 9 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1fr3 s LEU 9 CO -0.06 -0.13 1.28 -1.61 0.23 0.00 0.00 176.35 176.07 1fr3 s GLU 10 N 1.17 3.50 0.45 1.70 2.02 -1.26 -0.44 118.70 125.84 1fr3 s GLU 10 Ca -0.04 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.47 1fr3 s GLU 10 Cb -0.18 -4.03 -0.01 0.00 0.10 0.00 0.00 34.13 30.01 1fr3 s GLU 10 CO -0.08 -1.68 0.11 0.00 0.02 0.00 0.00 175.26 173.63 1fr3 s ALA 11 N 5.27 3.32 -0.06 5.21 0.00 -0.21 -4.72 121.76 130.57 1fr3 s ALA 11 Ca 0.50 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1fr3 s ALA 11 Cb -0.09 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1fr3 s ALA 11 CO 0.28 -0.27 -0.18 0.99 0.00 0.00 0.00 175.76 176.58 1fr3 s THR 12 N -3.11 1.53 0.10 0.00 2.01 -0.72 -0.85 115.64 114.60 1fr3 s THR 12 Ca 0.17 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 1fr3 s THR 12 Cb 0.01 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.12 1fr3 s THR 12 CO 0.12 0.44 1.40 -0.69 -0.69 0.00 0.00 174.62 175.19 1fr3 s VAL 13 N 0.27 3.34 -0.23 3.82 1.01 -0.06 -0.56 120.40 127.99 1fr3 s VAL 13 Ca -0.10 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.85 1fr3 s VAL 13 Cb -0.14 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.48 1fr3 s VAL 13 CO 0.04 0.06 -0.19 0.29 0.00 0.00 0.00 175.10 175.31 1fr3 n LYS 14 N 4.12 0.60 -3.64 2.72 5.02 0.12 -0.27 118.16 126.83 1fr3 n LYS 14 Ca 0.12 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 1fr3 n LYS 14 Cb 0.42 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.46 0.82 -0.06 1.97 2.12 -1.05 -4.78 118.70 115.26 1fr3 s GLU 15 Ca -0.29 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.31 1fr3 s GLU 15 Cb 0.08 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.87 1fr3 s GLU 15 CO 0.54 -0.21 -0.08 0.42 -0.54 0.00 0.00 175.26 175.39 1fr3 s ILE 16 N -0.82 0.80 -0.20 -3.70 1.01 -1.26 -0.46 121.20 116.57 1fr3 s ILE 16 Ca -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1fr3 s ILE 16 Cb -0.03 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.70 1fr3 s ILE 16 CO 0.06 0.28 -0.17 -0.69 0.00 0.00 0.00 174.94 174.43 1fr3 s VAL 17 N 0.88 2.02 -0.18 2.92 1.01 -0.40 -4.97 120.40 121.67 1fr3 s VAL 17 Ca -0.11 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 1fr3 s VAL 17 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1fr3 s VAL 17 CO 0.01 0.36 0.29 -0.54 0.00 0.00 0.00 175.10 175.22 1fr3 s LYS 18 N 1.27 4.21 0.00 2.72 1.02 -1.26 -0.61 119.74 127.09 1fr3 s LYS 18 Ca 0.01 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1fr3 s LYS 18 Cb -0.15 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 1fr3 s LYS 18 CO -0.10 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1fr3 n GLY 19 N 3.65 2.72 0.17 -3.33 0.00 0.43 -5.00 105.19 103.83 1fr3 n GLY 19 Ca -0.12 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 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 0.09 1.39 0.00 2.61 2.02 -2.03 -3.41 112.91 113.58 1fr3 h THR 20 Ca 0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1fr3 h THR 20 Cb 0.00 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1fr3 h THR 20 CO 0.00 0.64 -0.84 0.52 0.37 0.00 0.00 175.52 176.21 1fr3 n VAL 21 N -3.83 0.00 -3.78 3.16 0.31 -1.26 -4.92 118.33 108.01 1fr3 n VAL 21 Ca -0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.09 1fr3 n VAL 21 Cb 0.70 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 3.03 0.00 5.55 -1.94 -1.26 -1.25 119.30 121.47 1fr3 s MET 22 Ca 0.00 -1.05 0.03 0.00 -1.71 0.00 0.00 55.69 52.95 1fr3 s MET 22 Cb 0.00 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1fr3 s MET 22 CO 0.00 0.20 -0.09 0.00 -0.01 0.00 0.00 175.02 175.12 1fr3 s ALA 23 N -2.17 0.74 -0.21 3.03 0.00 0.11 -0.43 121.76 122.83 1fr3 s ALA 23 Ca 0.39 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1fr3 s ALA 23 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1fr3 s ALA 23 CO 0.28 0.16 0.38 0.21 0.00 0.00 0.00 175.76 176.79 1fr3 s LYS 24 N -0.41 4.15 -0.32 0.00 2.20 0.23 -1.98 119.74 123.59 1fr3 s LYS 24 Ca 0.02 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1fr3 s LYS 24 Cb -0.04 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1fr3 s LYS 24 CO -0.00 -0.07 0.06 0.42 -0.36 0.00 0.00 175.35 175.41 1fr3 s ILE 25 N 1.40 3.44 -0.24 5.43 -1.09 0.28 -1.28 121.20 129.15 1fr3 s ILE 25 Ca 0.18 -1.25 -0.13 0.00 -2.23 0.00 0.00 60.65 57.21 1fr3 s ILE 25 Cb -0.15 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1fr3 s ILE 25 CO 0.08 -0.16 0.28 -0.69 -1.23 0.00 0.00 174.94 173.22 1fr3 s VAL 26 N 1.34 5.27 0.21 2.92 1.01 0.39 -1.30 120.40 130.23 1fr3 s VAL 26 Ca -0.03 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.45 1fr3 s VAL 26 Cb -0.20 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1fr3 s VAL 26 CO 0.01 0.27 -0.15 -0.04 0.00 0.00 0.00 175.10 175.19 1fr3 s MET 27 N 1.38 1.36 -0.16 2.72 -1.94 -0.23 0.10 119.30 122.54 1fr3 s MET 27 Ca 0.12 -1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 52.48 1fr3 s MET 27 Cb -0.15 -1.21 -0.02 0.00 2.01 0.00 0.00 34.83 35.46 1fr3 s MET 27 CO 0.07 0.21 -0.05 0.34 -0.01 0.00 0.00 175.02 175.58 1fr3 s ASP 28 N -3.27 4.65 -0.34 3.03 2.15 0.27 -0.57 116.67 122.60 1fr3 s ASP 28 Ca 0.22 -0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.04 1fr3 s ASP 28 Cb -0.02 -1.76 0.11 0.00 -0.30 0.00 0.00 42.92 40.95 1fr3 s ASP 28 CO 0.08 0.15 0.11 -0.47 -0.17 0.00 0.00 175.17 174.86 1fr3 s TYR 29 N 0.48 2.39 -1.59 -5.34 5.04 0.11 -1.75 117.35 116.68 1fr3 s TYR 29 Ca -0.04 -2.25 -0.12 0.00 -2.44 0.00 0.00 57.07 52.22 1fr3 s TYR 29 Cb -0.14 -2.13 0.10 0.00 0.35 0.00 0.00 41.96 40.13 1fr3 s TYR 29 CO 0.03 -0.88 0.66 1.63 -1.34 0.00 0.00 175.55 175.65 1fr3 n LYS 30 N 4.44 -3.33 0.00 4.97 5.02 -1.26 -0.52 118.16 127.48 1fr3 n LYS 30 Ca 0.01 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1fr3 n LYS 30 Cb 0.41 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 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 -1.65 1.51 3.82 0.72 0.00 -1.26 -5.05 105.19 103.29 1fr3 n GLY 31 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.35 5.43 0.06 2.61 2.01 0.33 -5.08 115.64 118.65 1fr3 s THR 32 Ca 0.00 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.00 1fr3 s THR 32 Cb 0.00 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1fr3 s THR 32 CO 0.00 0.54 0.85 -0.70 -0.69 0.00 0.00 174.62 174.62 1fr3 s GLU 33 N -0.46 4.57 0.14 4.92 2.12 -1.26 0.04 118.70 128.77 1fr3 s GLU 33 Ca 0.13 1.23 0.07 0.00 0.36 0.00 0.00 54.97 56.76 1fr3 s GLU 33 Cb -0.12 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1fr3 s GLU 33 CO 0.03 0.23 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.40 1fr3 s LEU 34 N 0.07 3.15 -0.07 2.70 1.43 0.27 -4.94 118.68 121.28 1fr3 s LEU 34 Ca 0.42 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1fr3 s LEU 34 Cb -0.21 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1fr3 s LEU 34 CO 0.26 0.14 0.03 -0.69 0.23 0.00 0.00 176.35 176.32 1fr3 s VAL 35 N -1.47 0.15 0.01 -1.59 1.01 -1.26 -1.07 120.40 116.18 1fr3 s VAL 35 Ca 0.24 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1fr3 s VAL 35 Cb -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1fr3 s VAL 35 CO 0.16 0.18 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 1fr3 s ALA 36 N 2.06 2.72 -0.28 5.51 0.00 -0.42 -4.97 121.76 126.38 1fr3 s ALA 36 Ca 0.05 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1fr3 s ALA 36 Cb -0.12 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.17 1fr3 s ALA 36 CO -0.05 0.58 -0.07 0.00 0.00 0.00 0.00 175.76 176.23 1fr3 s ALA 37 N -0.90 2.66 0.39 0.00 0.00 -1.26 -0.55 121.76 122.10 1fr3 s ALA 37 Ca 0.15 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1fr3 s ALA 37 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1fr3 s ALA 37 CO 0.05 -1.27 0.07 0.96 0.00 0.00 0.00 175.76 175.56 1fr3 s ILE 38 N 1.11 1.09 0.55 0.00 -4.36 -0.84 -4.94 121.20 113.81 1fr3 s ILE 38 Ca -0.06 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.17 1fr3 s ILE 38 Cb -0.20 -2.58 -0.06 0.00 1.25 0.00 0.00 42.46 40.87 1fr3 s ILE 38 CO -0.04 0.00 1.02 0.42 0.24 0.00 0.00 174.94 176.57 1fr3 s THR 39 N -3.14 4.19 0.40 8.37 -4.23 -1.26 0.04 115.64 120.02 1fr3 s THR 39 Ca 0.27 1.05 0.26 0.00 -1.18 0.00 0.00 61.69 62.10 1fr3 s THR 39 Cb 0.06 -3.56 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1fr3 s THR 39 CO 0.14 -0.60 2.05 0.16 -0.54 0.00 0.00 174.62 175.83 1fr3 h ILE 40 N 0.71 0.62 -0.80 2.99 3.07 -1.43 -1.92 117.51 120.75 1fr3 h ILE 40 Ca -0.47 -0.58 0.05 0.00 1.55 0.00 0.00 64.86 65.41 1fr3 h ILE 40 Cb 1.20 1.37 -0.05 0.00 -0.27 0.00 0.00 36.82 39.06 1fr3 h ILE 40 CO 0.60 0.13 0.50 0.44 -1.05 0.00 0.00 178.15 178.76 1fr3 h ASP 41 N 0.00 0.80 -0.18 2.16 5.19 -1.92 -1.84 116.42 120.63 1fr3 h ASP 41 Ca -0.00 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 1fr3 h ASP 41 Cb 0.35 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1fr3 h ASP 41 CO 0.02 0.53 -0.32 0.28 -3.12 0.00 0.00 179.24 176.63 1fr3 h SER 42 N 0.94 0.71 -0.82 6.45 0.02 -1.73 -0.05 113.55 119.07 1fr3 h SER 42 Ca 0.33 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1fr3 h SER 42 Cb 0.09 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1fr3 h SER 42 CO -0.14 0.98 0.54 0.58 -1.14 0.00 0.00 176.83 177.65 1fr3 h VAL 43 N 0.58 1.20 -0.10 2.27 2.07 -1.19 -0.33 116.25 120.74 1fr3 h VAL 43 Ca 0.06 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1fr3 h VAL 43 Cb 0.83 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1fr3 h VAL 43 CO 0.07 0.20 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 1fr3 h ALA 44 N 1.31 0.15 -0.56 1.67 0.00 -1.16 0.08 119.26 120.75 1fr3 h ALA 44 Ca 0.30 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fr3 h ALA 44 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1fr3 h ALA 44 CO -0.07 -0.06 0.36 0.22 0.00 0.00 0.00 179.25 179.70 1fr3 h ASP 45 N -0.14 0.61 0.63 0.00 3.58 -0.78 -2.24 116.42 118.07 1fr3 h ASP 45 Ca 0.02 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1fr3 h ASP 45 Cb 0.54 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1fr3 h ASP 45 CO 0.02 0.43 -0.18 0.18 -2.88 0.00 0.00 179.24 176.81 1fr3 n LEU 46 N -4.72 0.31 -3.82 2.28 4.32 -0.15 -4.94 117.00 110.27 1fr3 n LEU 46 Ca 0.04 0.18 -0.24 0.00 -0.02 0.00 0.00 56.01 55.98 1fr3 n LEU 46 Cb 0.04 -0.31 0.01 0.00 -1.62 0.00 0.00 43.42 41.54 1fr3 n LEU 46 CO 0.34 0.07 -0.12 0.47 -1.22 0.00 0.00 177.39 176.93 1fr3 n ASP 47 N -1.30 -1.09 -4.73 -1.43 8.00 -0.10 -4.89 116.55 111.01 1fr3 n ASP 47 Ca 0.09 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1fr3 n ASP 47 Cb 0.31 -3.63 -0.03 0.00 -0.02 0.00 0.00 41.12 37.75 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 -6.84 4.40 0.05 0.64 1.43 -0.52 -5.03 118.68 112.83 1fr3 s LEU 48 Ca 0.06 2.27 -0.07 0.00 -1.03 0.00 0.00 54.13 55.36 1fr3 s LEU 48 Cb -0.03 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1fr3 s LEU 48 CO 0.85 -0.51 0.14 0.68 0.23 0.00 0.00 176.35 177.73 1fr3 s VAL 49 N 0.49 0.14 0.25 -1.59 -7.23 -1.26 -4.96 120.40 106.23 1fr3 s VAL 49 Ca 0.58 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 1fr3 s VAL 49 Cb -0.34 -1.08 -0.13 0.00 0.56 0.00 0.00 36.38 35.39 1fr3 s VAL 49 CO 0.34 -0.62 1.42 -2.65 -0.31 0.00 0.00 175.10 173.29 1fr3 n PRO 50 N 0.46 2.13 0.00 4.82 -0.02 -1.26 -1.72 135.00 139.40 1fr3 n PRO 50 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1fr3 n PRO 50 Cb 0.60 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.04 2.56 3.75 -1.23 0.00 0.62 -4.99 105.19 107.95 1fr3 n GLY 51 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.32 6.59 -0.14 1.61 1.01 -0.70 -4.68 116.67 119.04 1fr3 s ASP 52 Ca 0.00 2.76 -0.24 0.00 0.71 0.00 0.00 52.55 55.79 1fr3 s ASP 52 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1fr3 s ASP 52 CO 0.00 -0.72 0.75 -0.54 0.21 0.00 0.00 175.17 174.87 1fr3 s LYS 53 N -0.89 4.33 0.27 8.23 -0.14 -1.26 -0.88 119.74 129.40 1fr3 s LYS 53 Ca 0.57 0.90 0.03 0.00 -1.36 0.00 0.00 55.97 56.11 1fr3 s LYS 53 Cb -0.43 -3.53 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 1fr3 s LYS 53 CO 0.48 -0.18 0.17 0.14 -0.76 0.00 0.00 175.35 175.21 1fr3 s VAL 54 N 1.65 0.16 -0.21 3.17 -7.23 -0.03 -4.99 120.40 112.91 1fr3 s VAL 54 Ca 0.36 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1fr3 s VAL 54 Cb -0.17 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1fr3 s VAL 54 CO 0.14 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.90 1fr3 s THR 55 N -3.77 2.31 0.11 5.32 2.01 -1.26 -1.04 115.64 119.32 1fr3 s THR 55 Ca 0.38 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1fr3 s THR 55 Cb 0.05 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 1fr3 s THR 55 CO 0.18 0.35 1.02 0.00 -0.69 0.00 0.00 174.62 175.48 1fr3 s ALA 56 N 1.27 3.28 -0.08 7.40 0.00 0.41 -4.86 121.76 129.18 1fr3 s ALA 56 Ca 0.01 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1fr3 s ALA 56 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1fr3 s ALA 56 CO -0.09 -0.14 -0.20 -1.17 0.00 0.00 0.00 175.76 174.16 1fr3 s LEU 57 N 0.14 1.95 -0.05 0.00 2.96 -1.26 -1.04 118.68 121.38 1fr3 s LEU 57 Ca 0.49 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1fr3 s LEU 57 Cb -0.25 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.26 1fr3 s LEU 57 CO 0.31 0.14 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.75 1fr3 s VAL 58 N 0.33 0.45 0.34 1.68 1.01 -0.42 -5.02 120.40 118.78 1fr3 s VAL 58 Ca -0.14 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1fr3 s VAL 58 Cb -0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 1fr3 s VAL 58 CO 0.06 0.22 1.25 -0.75 0.00 0.00 0.00 175.10 175.88 1fr3 s LYS 59 N 1.08 4.34 0.29 2.72 2.20 -1.26 -1.90 119.74 127.21 1fr3 s LYS 59 Ca -0.09 2.08 0.01 0.00 -0.36 0.00 0.00 55.97 57.62 1fr3 s LYS 59 Cb -0.14 -3.02 0.56 0.00 -1.51 0.00 0.00 37.83 33.72 1fr3 s LYS 59 CO -0.01 -0.15 1.86 0.00 -0.36 0.00 0.00 175.35 176.69 1fr3 h ALA 60 N 3.32 1.54 0.00 3.13 0.00 -1.93 -0.06 119.26 125.26 1fr3 h ALA 60 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fr3 h ALA 60 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fr3 h ALA 60 CO 0.65 0.25 0.00 0.25 0.00 0.00 0.00 179.25 180.40 1fr3 n THR 61 N -4.57 0.92 -0.39 0.00 -2.24 -1.26 -2.47 114.28 104.28 1fr3 n THR 61 Ca 0.17 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.26 1fr3 n THR 61 Cb 0.31 -0.99 0.24 0.00 -2.10 0.00 0.00 70.33 67.79 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 2.99 -3.97 -0.78 1.02 -0.04 -4.93 120.64 113.48 1fr3 n GLU 62 Ca 0.04 -2.42 -0.35 0.00 -0.02 0.00 0.00 57.16 54.41 1fr3 n GLU 62 Cb 0.15 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 1fr3 n GLU 62 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1fr3 s MET 63 N -1.34 3.49 0.41 3.49 1.75 -1.03 -4.94 119.30 121.13 1fr3 s MET 63 Ca 0.36 -0.57 0.02 0.00 -1.25 0.00 0.00 55.69 54.24 1fr3 s MET 63 Cb 0.21 -3.06 -0.01 0.00 2.84 0.00 0.00 34.83 34.81 1fr3 s MET 63 CO 0.21 -0.12 0.61 -1.21 -0.65 0.00 0.00 175.02 173.86 1fr3 s GLU 64 N 1.31 3.15 -0.07 4.11 2.02 -1.26 -5.05 118.70 122.92 1fr3 s GLU 64 Ca 0.04 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 54.51 1fr3 s GLU 64 Cb -0.14 -2.63 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 1fr3 s GLU 64 CO -0.00 -0.12 -0.20 0.08 0.02 0.00 0.00 175.26 175.04 1fr3 s VAL 65 N -2.43 1.66 -0.02 2.63 1.01 -1.26 -5.14 120.40 116.85 1fr3 s VAL 65 Ca 0.46 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1fr3 s VAL 65 Cb -0.10 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1fr3 s VAL 65 CO 0.36 0.47 -0.20 -0.76 0.00 0.00 0.00 175.10 174.97 1fr3 s LEU 66 N 0.21 2.41 0.00 3.92 1.02 -1.26 -5.34 118.68 119.64 1fr3 s LEU 66 Ca -0.10 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.69 1fr3 s LEU 66 Cb -0.15 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.62 1fr3 s LEU 66 CO 0.05 0.32 0.00 1.17 0.02 0.00 0.00 176.35 177.90