#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 3.46 -0.07 3.17 1.02 -1.26 -5.06 119.74 121.01 1fr3 s LYS 2 Ca 0.00 1.34 0.05 0.00 0.02 0.00 0.00 55.97 57.37 1fr3 s LYS 2 Cb 0.00 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1fr3 s LYS 2 CO 0.00 -0.71 -0.21 0.42 -0.92 0.00 0.00 175.35 173.93 1fr3 s ILE 3 N -2.16 1.78 0.27 2.17 1.01 -1.26 -5.04 121.20 117.98 1fr3 s ILE 3 Ca 0.67 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1fr3 s ILE 3 Cb -0.18 -1.53 0.12 0.00 0.01 0.00 0.00 42.46 40.88 1fr3 s ILE 3 CO 0.29 0.50 1.78 0.77 0.00 0.00 0.00 174.94 178.28 1fr3 h SER 4 N 6.41 0.71 -1.29 3.58 4.64 -2.02 -3.42 113.55 122.15 1fr3 h SER 4 Ca -0.28 -0.16 -0.71 0.00 -0.47 0.00 0.00 61.79 60.16 1fr3 h SER 4 Cb 1.20 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1fr3 h SER 4 CO 0.47 0.78 1.12 0.61 -0.87 0.00 0.00 176.83 178.94 1fr3 n GLY 5 N -0.68 0.69 0.15 -0.77 0.00 -1.26 -4.82 105.19 98.50 1fr3 n GLY 5 Ca 0.02 0.95 0.02 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 9.17 0.00 -5.03 1.61 2.47 -1.83 -3.43 114.38 117.33 1fr3 h ARG 6 Ca -0.37 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.67 1fr3 h ARG 6 Cb 1.33 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.47 1fr3 h ARG 6 CO 0.99 0.52 -0.13 -0.80 0.56 0.00 0.00 179.97 181.11 1fr3 s ASN 7 N -6.57 6.23 -0.22 7.04 0.01 -0.82 -5.00 114.94 115.61 1fr3 s ASN 7 Ca 0.00 -0.45 -0.02 0.00 -0.71 0.00 0.00 52.86 51.68 1fr3 s ASN 7 Cb 0.11 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.54 1fr3 s ASN 7 CO 0.73 -0.57 -0.09 -0.54 -1.51 0.00 0.00 177.10 175.11 1fr3 s LYS 8 N 2.29 3.05 -0.26 -0.60 3.01 -1.26 -1.11 119.74 124.85 1fr3 s LYS 8 Ca 0.15 -0.82 -0.01 0.00 -1.01 0.00 0.00 55.97 54.28 1fr3 s LYS 8 Cb -0.16 -2.87 0.04 0.00 -1.01 0.00 0.00 37.83 33.82 1fr3 s LYS 8 CO 0.14 -0.28 -0.06 -0.51 0.51 0.00 0.00 175.35 175.15 1fr3 s LEU 9 N 1.36 3.41 -0.61 3.17 1.43 0.17 -4.95 118.68 122.66 1fr3 s LEU 9 Ca 0.03 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.78 1fr3 s LEU 9 Cb -0.15 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1fr3 s LEU 9 CO -0.07 -0.17 1.32 -1.61 0.23 0.00 0.00 176.35 176.05 1fr3 s GLU 10 N 1.26 3.33 0.45 1.70 2.02 -1.26 -0.49 118.70 125.71 1fr3 s GLU 10 Ca -0.03 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.22 1fr3 s GLU 10 Cb -0.18 -4.11 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 1fr3 s GLU 10 CO -0.04 -1.93 0.09 0.00 0.02 0.00 0.00 175.26 173.40 1fr3 s ALA 11 N 5.70 3.38 -0.07 5.21 0.00 -0.04 -4.73 121.76 131.21 1fr3 s ALA 11 Ca 0.46 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1fr3 s ALA 11 Cb -0.09 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1fr3 s ALA 11 CO 0.23 -0.23 -0.19 0.99 0.00 0.00 0.00 175.76 176.56 1fr3 s THR 12 N -3.08 1.63 0.12 0.00 2.01 -0.71 -0.77 115.64 114.85 1fr3 s THR 12 Ca 0.17 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 61.06 1fr3 s THR 12 Cb 0.02 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 71.03 1fr3 s THR 12 CO 0.10 0.46 1.40 -0.69 -0.69 0.00 0.00 174.62 175.21 1fr3 s VAL 13 N 0.27 3.26 -0.11 3.82 1.01 0.15 -0.65 120.40 128.14 1fr3 s VAL 13 Ca -0.11 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1fr3 s VAL 13 Cb -0.15 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1fr3 s VAL 13 CO 0.05 0.07 -0.01 0.29 0.00 0.00 0.00 175.10 175.50 1fr3 n LYS 14 N 3.92 1.76 -3.61 2.72 4.76 0.79 -0.07 118.16 128.42 1fr3 n LYS 14 Ca 0.11 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.41 1fr3 n LYS 14 Cb 0.42 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 1fr3 n LYS 14 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1fr3 s GLU 15 N -2.25 0.89 -0.05 1.97 2.12 -1.08 -4.80 118.70 115.51 1fr3 s GLU 15 Ca -0.09 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1fr3 s GLU 15 Cb 0.03 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.86 1fr3 s GLU 15 CO 0.38 -0.25 -0.06 0.42 -0.54 0.00 0.00 175.26 175.21 1fr3 s ILE 16 N -1.04 0.68 -0.20 -3.70 1.01 -1.26 -0.64 121.20 116.04 1fr3 s ILE 16 Ca -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1fr3 s ILE 16 Cb -0.02 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.79 1fr3 s ILE 16 CO 0.07 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.44 1fr3 s VAL 17 N 0.93 2.42 -0.24 2.92 1.01 -0.46 -4.97 120.40 122.00 1fr3 s VAL 17 Ca -0.11 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1fr3 s VAL 17 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1fr3 s VAL 17 CO 0.00 0.42 0.21 -0.54 0.00 0.00 0.00 175.10 175.19 1fr3 s LYS 18 N 1.31 4.06 0.00 2.72 1.02 -1.26 -0.63 119.74 126.96 1fr3 s LYS 18 Ca 0.03 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1fr3 s LYS 18 Cb -0.14 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1fr3 s LYS 18 CO -0.09 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1fr3 n GLY 19 N 4.42 2.00 0.24 -3.33 0.00 0.38 -5.01 105.19 103.89 1fr3 n GLY 19 Ca -0.13 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 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 0.02 1.29 0.00 2.61 2.02 -2.03 -3.40 112.91 113.42 1fr3 h THR 20 Ca 0.00 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.53 1fr3 h THR 20 Cb 0.00 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1fr3 h THR 20 CO 0.00 0.53 -1.01 0.52 0.37 0.00 0.00 175.52 175.93 1fr3 n VAL 21 N -4.02 0.01 -4.07 3.16 0.31 -1.26 -4.91 118.33 107.56 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 0.56 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 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 -2.00 3.06 -0.00 5.55 -1.94 -1.26 -1.10 119.30 121.60 1fr3 s MET 22 Ca -0.00 -0.98 0.04 0.00 -1.71 0.00 0.00 55.69 53.04 1fr3 s MET 22 Cb 0.00 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.18 1fr3 s MET 22 CO 0.00 0.40 -0.13 0.00 -0.01 0.00 0.00 175.02 175.28 1fr3 s ALA 23 N -2.10 1.09 -0.22 3.03 0.00 0.88 -0.47 121.76 123.98 1fr3 s ALA 23 Ca 0.33 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 1fr3 s ALA 23 Cb -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1fr3 s ALA 23 CO 0.26 0.26 0.40 0.21 0.00 0.00 0.00 175.76 176.89 1fr3 s LYS 24 N -0.40 4.14 -0.35 0.00 2.20 0.20 -1.95 119.74 123.59 1fr3 s LYS 24 Ca 0.05 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1fr3 s LYS 24 Cb -0.05 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1fr3 s LYS 24 CO -0.00 -0.09 0.10 0.42 -0.36 0.00 0.00 175.35 175.42 1fr3 s ILE 25 N 1.49 3.55 -0.16 5.43 -1.09 0.25 -1.35 121.20 129.32 1fr3 s ILE 25 Ca 0.19 -1.34 -0.18 0.00 -2.23 0.00 0.00 60.65 57.09 1fr3 s ILE 25 Cb -0.15 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1fr3 s ILE 25 CO 0.08 -0.26 0.47 -0.69 -1.23 0.00 0.00 174.94 173.32 1fr3 s VAL 26 N 1.33 5.17 0.16 2.92 1.01 0.19 -1.23 120.40 129.95 1fr3 s VAL 26 Ca -0.01 0.90 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1fr3 s VAL 26 Cb -0.20 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1fr3 s VAL 26 CO 0.01 0.27 -0.13 -0.04 0.00 0.00 0.00 175.10 175.21 1fr3 s MET 27 N 1.02 1.16 -0.21 2.72 -1.94 -0.02 -0.15 119.30 121.88 1fr3 s MET 27 Ca 0.24 -1.46 -0.05 0.00 -1.71 0.00 0.00 55.69 52.71 1fr3 s MET 27 Cb -0.15 -0.89 -0.02 0.00 2.01 0.00 0.00 34.83 35.78 1fr3 s MET 27 CO 0.09 0.14 -0.01 0.34 -0.01 0.00 0.00 175.02 175.58 1fr3 s ASP 28 N -3.08 4.70 -0.36 3.03 2.15 0.17 -0.60 116.67 122.68 1fr3 s ASP 28 Ca 0.17 -0.25 0.03 0.00 0.43 0.00 0.00 52.55 52.94 1fr3 s ASP 28 Cb -0.00 -1.80 0.10 0.00 -0.30 0.00 0.00 42.92 40.92 1fr3 s ASP 28 CO 0.04 0.04 0.08 -0.47 -0.17 0.00 0.00 175.17 174.69 1fr3 s TYR 29 N 1.13 3.42 -1.59 -5.34 5.04 0.86 -1.73 117.35 119.14 1fr3 s TYR 29 Ca 0.02 -2.87 -0.11 0.00 -2.44 0.00 0.00 57.07 51.67 1fr3 s TYR 29 Cb -0.14 -2.75 0.09 0.00 0.35 0.00 0.00 41.96 39.51 1fr3 s TYR 29 CO 0.01 -0.91 0.66 1.63 -1.34 0.00 0.00 175.55 175.59 1fr3 n LYS 30 N 4.17 -3.34 0.00 4.97 5.02 -1.26 -0.81 118.16 126.91 1fr3 n LYS 30 Ca 0.04 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1fr3 n LYS 30 Cb 0.41 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 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 -1.66 2.39 3.81 0.72 0.00 -1.26 -5.05 105.19 104.15 1fr3 n GLY 31 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.41 5.34 0.04 2.61 2.01 0.01 -5.07 115.64 118.18 1fr3 s THR 32 Ca 0.00 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 1fr3 s THR 32 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1fr3 s THR 32 CO 0.00 0.53 0.93 -0.70 -0.69 0.00 0.00 174.62 174.69 1fr3 s GLU 33 N -0.50 4.60 0.10 4.92 2.12 -1.26 -0.10 118.70 128.58 1fr3 s GLU 33 Ca 0.16 1.36 0.08 0.00 0.36 0.00 0.00 54.97 56.93 1fr3 s GLU 33 Cb -0.13 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1fr3 s GLU 33 CO 0.05 0.10 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.22 1fr3 s LEU 34 N 0.47 2.88 -0.13 2.70 1.43 0.23 -4.95 118.68 121.32 1fr3 s LEU 34 Ca 0.48 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1fr3 s LEU 34 Cb -0.22 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.35 1fr3 s LEU 34 CO 0.28 0.19 -0.01 -0.69 0.23 0.00 0.00 176.35 176.34 1fr3 s VAL 35 N -1.14 0.67 0.03 -1.59 1.01 -1.26 -0.84 120.40 117.27 1fr3 s VAL 35 Ca 0.19 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1fr3 s VAL 35 Cb -0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1fr3 s VAL 35 CO 0.11 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 1fr3 s ALA 36 N 1.83 2.99 -0.29 5.51 0.00 -0.37 -4.96 121.76 126.47 1fr3 s ALA 36 Ca 0.03 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1fr3 s ALA 36 Cb -0.14 -1.06 0.07 0.00 0.00 0.00 0.00 23.12 21.99 1fr3 s ALA 36 CO -0.07 0.62 -0.04 0.00 0.00 0.00 0.00 175.76 176.28 1fr3 s ALA 37 N -1.04 2.72 0.45 0.00 0.00 -1.26 -0.58 121.76 122.05 1fr3 s ALA 37 Ca 0.18 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1fr3 s ALA 37 Cb -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1fr3 s ALA 37 CO 0.09 -1.37 0.06 0.96 0.00 0.00 0.00 175.76 175.50 1fr3 s ILE 38 N 1.07 0.99 0.53 0.00 -4.36 -0.82 -4.94 121.20 113.67 1fr3 s ILE 38 Ca -0.02 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.20 1fr3 s ILE 38 Cb -0.20 -2.34 -0.07 0.00 1.25 0.00 0.00 42.46 41.10 1fr3 s ILE 38 CO -0.05 0.00 1.01 0.42 0.24 0.00 0.00 174.94 176.56 1fr3 s THR 39 N -3.03 4.25 0.44 8.37 -4.23 -1.26 -0.08 115.64 120.10 1fr3 s THR 39 Ca 0.18 1.13 0.16 0.00 -1.18 0.00 0.00 61.69 61.98 1fr3 s THR 39 Cb 0.03 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.47 1fr3 s THR 39 CO 0.10 -0.57 2.00 0.16 -0.54 0.00 0.00 174.62 175.77 1fr3 h ILE 40 N 0.93 1.07 -0.99 2.99 3.07 -1.37 -1.48 117.51 121.72 1fr3 h ILE 40 Ca -0.47 -0.63 0.08 0.00 1.55 0.00 0.00 64.86 65.39 1fr3 h ILE 40 Cb 1.20 1.35 -0.07 0.00 -0.27 0.00 0.00 36.82 39.02 1fr3 h ILE 40 CO 0.60 0.18 0.63 0.44 -1.05 0.00 0.00 178.15 178.95 1fr3 h ASP 41 N 0.00 0.98 -0.23 2.16 5.19 -1.92 -1.11 116.42 121.50 1fr3 h ASP 41 Ca -0.00 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1fr3 h ASP 41 Cb 0.33 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1fr3 h ASP 41 CO 0.02 0.59 -0.27 0.28 -3.12 0.00 0.00 179.24 176.75 1fr3 h SER 42 N 1.10 0.73 -0.73 6.45 0.02 -1.65 -1.35 113.55 118.12 1fr3 h SER 42 Ca 0.45 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1fr3 h SER 42 Cb 0.28 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1fr3 h SER 42 CO -0.21 0.96 0.46 0.58 -1.14 0.00 0.00 176.83 177.49 1fr3 h VAL 43 N 0.61 1.12 -0.19 2.27 2.07 -1.03 -1.01 116.25 120.09 1fr3 h VAL 43 Ca 0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1fr3 h VAL 43 Cb 0.77 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1fr3 h VAL 43 CO 0.06 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.83 1fr3 h ALA 44 N 1.30 0.25 -0.44 1.67 0.00 -1.19 0.67 119.26 121.53 1fr3 h ALA 44 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1fr3 h ALA 44 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fr3 h ALA 44 CO -0.10 -0.05 0.22 0.22 0.00 0.00 0.00 179.25 179.55 1fr3 h ASP 45 N 0.09 0.56 0.86 0.00 3.58 -1.04 -2.37 116.42 118.11 1fr3 h ASP 45 Ca 0.05 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1fr3 h ASP 45 Cb 0.37 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1fr3 h ASP 45 CO 0.01 0.51 -0.18 0.18 -2.88 0.00 0.00 179.24 176.88 1fr3 n LEU 46 N -4.68 0.22 -3.75 2.28 4.32 -0.40 -4.94 117.00 110.05 1fr3 n LEU 46 Ca 0.01 0.34 -0.23 0.00 -0.02 0.00 0.00 56.01 56.10 1fr3 n LEU 46 Cb 0.10 -0.40 0.03 0.00 -1.62 0.00 0.00 43.42 41.53 1fr3 n LEU 46 CO 0.36 0.03 -0.05 -0.67 -1.22 0.00 0.00 177.39 175.84 1fr3 n ASP 47 N -1.56 -1.74 -4.74 -1.43 2.03 0.15 -4.90 116.55 104.37 1fr3 n ASP 47 Ca 0.06 -0.82 -0.41 0.00 0.52 0.00 0.00 54.79 54.14 1fr3 n ASP 47 Cb 0.35 -3.97 -0.03 0.00 -0.72 0.00 0.00 41.12 36.75 1fr3 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1fr3 s LEU 48 N -6.80 4.40 0.04 -2.67 1.43 -0.74 -5.03 118.68 109.31 1fr3 s LEU 48 Ca 0.12 2.53 -0.09 0.00 -1.03 0.00 0.00 54.13 55.66 1fr3 s LEU 48 Cb -0.06 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1fr3 s LEU 48 CO 0.82 -0.61 0.18 0.68 0.23 0.00 0.00 176.35 177.65 1fr3 s VAL 49 N 0.06 0.11 0.30 -1.59 -7.23 -1.26 -4.97 120.40 105.81 1fr3 s VAL 49 Ca 0.58 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.54 1fr3 s VAL 49 Cb -0.39 -0.91 -0.13 0.00 0.56 0.00 0.00 36.38 35.50 1fr3 s VAL 49 CO 0.41 -0.51 1.22 -2.65 -0.31 0.00 0.00 175.10 173.25 1fr3 n PRO 50 N 0.69 1.81 0.00 4.82 -0.02 -1.26 -1.78 135.00 139.26 1fr3 n PRO 50 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1fr3 n PRO 50 Cb 0.59 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.25 1.84 3.74 -1.23 0.00 0.90 -4.99 105.19 106.70 1fr3 n GLY 51 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.63 6.69 -0.17 1.61 1.01 -0.73 -4.70 116.67 118.75 1fr3 s ASP 52 Ca 0.00 2.60 -0.25 0.00 0.71 0.00 0.00 52.55 55.61 1fr3 s ASP 52 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1fr3 s ASP 52 CO 0.00 -0.70 0.82 -0.54 0.21 0.00 0.00 175.17 174.96 1fr3 s LYS 53 N 0.05 4.30 0.29 8.23 -0.14 -1.26 -0.67 119.74 130.54 1fr3 s LYS 53 Ca 0.61 0.99 0.04 0.00 -1.36 0.00 0.00 55.97 56.25 1fr3 s LYS 53 Cb -0.41 -3.57 -0.03 0.00 -1.68 0.00 0.00 37.83 32.14 1fr3 s LYS 53 CO 0.39 -0.31 0.20 0.14 -0.76 0.00 0.00 175.35 175.01 1fr3 s VAL 54 N 2.07 0.14 -0.25 3.17 -7.23 0.05 -4.99 120.40 113.37 1fr3 s VAL 54 Ca 0.38 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1fr3 s VAL 54 Cb -0.17 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.33 1fr3 s VAL 54 CO 0.13 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.91 1fr3 s THR 55 N -3.66 2.21 0.10 5.32 2.01 -1.26 -0.86 115.64 119.49 1fr3 s THR 55 Ca 0.38 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 1fr3 s THR 55 Cb 0.04 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 1fr3 s THR 55 CO 0.20 0.06 1.15 0.00 -0.69 0.00 0.00 174.62 175.34 1fr3 s ALA 56 N 1.14 3.37 -0.09 7.40 0.00 0.36 -4.82 121.76 129.11 1fr3 s ALA 56 Ca -0.06 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.75 1fr3 s ALA 56 Cb -0.19 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1fr3 s ALA 56 CO -0.06 -0.35 -0.21 -1.17 0.00 0.00 0.00 175.76 173.97 1fr3 s LEU 57 N 0.56 1.99 -0.06 0.00 2.96 -1.26 -0.65 118.68 122.22 1fr3 s LEU 57 Ca 0.55 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1fr3 s LEU 57 Cb -0.29 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1fr3 s LEU 57 CO 0.31 0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.73 1fr3 s VAL 58 N 0.42 0.62 0.37 1.68 1.01 -0.27 -5.02 120.40 119.22 1fr3 s VAL 58 Ca -0.18 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 1fr3 s VAL 58 Cb -0.17 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1fr3 s VAL 58 CO 0.08 0.26 1.27 -0.75 0.00 0.00 0.00 175.10 175.95 1fr3 s LYS 59 N 1.10 4.15 0.34 2.72 2.20 -1.26 -1.94 119.74 127.04 1fr3 s LYS 59 Ca -0.08 2.10 0.06 0.00 -0.36 0.00 0.00 55.97 57.69 1fr3 s LYS 59 Cb -0.14 -2.87 0.72 0.00 -1.51 0.00 0.00 37.83 34.03 1fr3 s LYS 59 CO -0.01 -0.32 1.90 0.00 -0.36 0.00 0.00 175.35 176.56 1fr3 h ALA 60 N 2.96 1.71 0.00 3.13 0.00 -1.93 -0.89 119.26 124.24 1fr3 h ALA 60 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fr3 h ALA 60 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fr3 h ALA 60 CO 0.64 0.11 0.00 0.25 0.00 0.00 0.00 179.25 180.25 1fr3 n THR 61 N -4.52 0.69 -0.62 0.00 -2.24 -1.26 -2.77 114.28 103.56 1fr3 n THR 61 Ca 0.15 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1fr3 n THR 61 Cb 0.33 -0.88 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.41 3.09 -4.00 -0.78 1.02 -0.34 -4.92 120.64 113.30 1fr3 n GLU 62 Ca 0.06 -2.56 -0.34 0.00 -0.02 0.00 0.00 57.16 54.30 1fr3 n GLU 62 Cb 0.17 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.97 3.26 0.50 3.49 1.75 -1.11 -4.93 119.30 120.28 1fr3 s MET 63 Ca 0.37 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1fr3 s MET 63 Cb 0.26 -2.86 0.01 0.00 2.84 0.00 0.00 34.83 35.08 1fr3 s MET 63 CO 0.14 -0.19 0.73 -1.21 -0.65 0.00 0.00 175.02 173.84 1fr3 s GLU 64 N 1.39 2.84 -0.08 4.11 2.02 -1.26 -5.05 118.70 122.67 1fr3 s GLU 64 Ca 0.05 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.49 1fr3 s GLU 64 Cb -0.14 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.58 1fr3 s GLU 64 CO -0.06 -0.48 -0.18 0.08 0.02 0.00 0.00 175.26 174.64 1fr3 s VAL 65 N -2.66 1.59 0.01 2.63 1.01 -1.26 -5.13 120.40 116.59 1fr3 s VAL 65 Ca 0.52 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1fr3 s VAL 65 Cb -0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1fr3 s VAL 65 CO 0.38 0.46 -0.23 -0.76 0.00 0.00 0.00 175.10 174.95 1fr3 s LEU 66 N 0.45 2.33 0.00 3.92 1.43 -1.26 -5.34 118.68 120.21 1fr3 s LEU 66 Ca -0.15 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1fr3 s LEU 66 Cb -0.16 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1fr3 s LEU 66 CO 0.06 0.29 0.00 1.17 0.23 0.00 0.00 176.35 178.09