#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 3.70 -0.12 0.03 1.02 -1.26 -5.10 119.74 118.02 1fr3 s LYS 2 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.11 1fr3 s LYS 2 Cb 0.00 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1fr3 s LYS 2 CO 0.00 0.36 -0.21 0.42 -0.92 0.00 0.00 175.35 175.00 1fr3 s ILE 3 N -1.80 2.24 0.35 2.17 1.01 -1.26 -5.03 121.20 118.88 1fr3 s ILE 3 Ca 0.44 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1fr3 s ILE 3 Cb -0.11 -1.88 0.20 0.00 0.01 0.00 0.00 42.46 40.67 1fr3 s ILE 3 CO 0.24 0.55 1.94 0.77 0.00 0.00 0.00 174.94 178.43 1fr3 h SER 4 N 6.93 0.53 -1.52 3.58 4.64 -2.02 -3.42 113.55 122.28 1fr3 h SER 4 Ca -0.25 -0.07 -0.72 0.00 -0.47 0.00 0.00 61.79 60.29 1fr3 h SER 4 Cb 1.22 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1fr3 h SER 4 CO 0.51 0.51 1.00 0.61 -0.87 0.00 0.00 176.83 178.60 1fr3 n GLY 5 N -1.10 0.88 0.12 -0.77 0.00 -1.26 -4.82 105.19 98.23 1fr3 n GLY 5 Ca 0.03 0.93 -0.01 0.00 0.00 0.00 0.00 46.02 46.97 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 8.14 0.00 -5.23 1.61 2.47 -1.82 -3.44 114.38 116.11 1fr3 h ARG 6 Ca -0.44 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.63 1fr3 h ARG 6 Cb 1.31 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.48 1fr3 h ARG 6 CO 0.97 0.68 -0.02 -0.80 0.56 0.00 0.00 179.97 181.37 1fr3 s ASN 7 N -6.60 6.30 -0.19 7.04 0.01 -0.83 -5.00 114.94 115.68 1fr3 s ASN 7 Ca 0.01 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1fr3 s ASN 7 Cb 0.10 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.48 1fr3 s ASN 7 CO 0.76 -0.60 -0.14 -0.54 -1.51 0.00 0.00 177.10 175.08 1fr3 s LYS 8 N 2.50 3.16 -0.21 -0.60 3.01 -1.26 -1.20 119.74 125.13 1fr3 s LYS 8 Ca 0.19 -0.75 0.01 0.00 -1.01 0.00 0.00 55.97 54.42 1fr3 s LYS 8 Cb -0.15 -2.72 0.04 0.00 -1.01 0.00 0.00 37.83 33.99 1fr3 s LYS 8 CO 0.15 -0.15 -0.12 -0.51 0.51 0.00 0.00 175.35 175.23 1fr3 s LEU 9 N 1.24 2.55 -0.33 3.17 2.01 -0.02 -4.95 118.68 122.35 1fr3 s LEU 9 Ca 0.03 -0.97 -0.29 0.00 0.01 0.00 0.00 54.13 52.91 1fr3 s LEU 9 Cb -0.14 -1.36 0.00 0.00 0.01 0.00 0.00 46.19 44.71 1fr3 s LEU 9 CO -0.07 -0.13 1.29 -1.61 1.01 0.00 0.00 176.35 176.84 1fr3 s GLU 10 N 1.30 3.87 0.35 1.70 2.02 -1.26 -0.41 118.70 126.27 1fr3 s GLU 10 Ca -0.02 1.16 0.04 0.00 0.02 0.00 0.00 54.97 56.17 1fr3 s GLU 10 Cb -0.17 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.14 1fr3 s GLU 10 CO -0.08 -1.18 0.16 0.00 0.02 0.00 0.00 175.26 174.17 1fr3 s ALA 11 N 4.47 2.39 -0.06 5.21 0.00 -0.18 -4.72 121.76 128.88 1fr3 s ALA 11 Ca 0.56 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.98 1fr3 s ALA 11 Cb -0.15 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1fr3 s ALA 11 CO 0.24 -0.44 -0.22 0.99 0.00 0.00 0.00 175.76 176.33 1fr3 s THR 12 N -3.39 1.86 0.04 0.00 2.01 -0.72 -0.83 115.64 114.61 1fr3 s THR 12 Ca 0.31 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 1fr3 s THR 12 Cb 0.04 -1.59 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1fr3 s THR 12 CO 0.17 0.52 1.32 -0.69 -0.69 0.00 0.00 174.62 175.26 1fr3 s VAL 13 N -0.05 3.76 -0.24 3.82 1.01 0.01 -0.63 120.40 128.08 1fr3 s VAL 13 Ca -0.05 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1fr3 s VAL 13 Cb -0.14 -3.78 -0.16 0.00 0.00 0.00 0.00 36.38 32.31 1fr3 s VAL 13 CO 0.04 0.05 -0.20 0.29 0.00 0.00 0.00 175.10 175.28 1fr3 n LYS 14 N 4.60 0.61 -3.63 2.72 5.02 0.12 -0.39 118.16 127.21 1fr3 n LYS 14 Ca 0.11 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.38 1fr3 n LYS 14 Cb 0.44 -1.48 -0.07 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 -2.48 0.85 -0.09 1.97 2.12 -1.03 -4.78 118.70 115.26 1fr3 s GLU 15 Ca -0.31 0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.24 1fr3 s GLU 15 Cb 0.08 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1fr3 s GLU 15 CO 0.56 -0.23 -0.05 0.42 -0.54 0.00 0.00 175.26 175.42 1fr3 s ILE 16 N -0.92 0.80 -0.18 -3.70 1.01 -1.26 -0.67 121.20 116.28 1fr3 s ILE 16 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 1fr3 s ILE 16 Cb -0.02 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1fr3 s ILE 16 CO 0.06 0.32 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 1fr3 s VAL 17 N 1.66 3.15 -0.22 2.92 1.01 -0.64 -4.97 120.40 123.30 1fr3 s VAL 17 Ca 0.02 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1fr3 s VAL 17 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1fr3 s VAL 17 CO -0.06 0.47 0.09 -0.54 0.00 0.00 0.00 175.10 175.06 1fr3 s LYS 18 N 1.02 3.89 0.00 2.72 1.02 -1.26 -0.86 119.74 126.27 1fr3 s LYS 18 Ca -0.00 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1fr3 s LYS 18 Cb -0.15 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1fr3 s LYS 18 CO -0.01 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1fr3 n GLY 19 N 4.16 2.38 0.18 -3.33 0.00 0.37 -5.02 105.19 103.95 1fr3 n GLY 19 Ca -0.16 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 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 0.05 1.36 0.00 2.61 2.02 -2.03 -3.41 112.91 113.52 1fr3 h THR 20 Ca 0.00 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1fr3 h THR 20 Cb 0.00 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1fr3 h THR 20 CO 0.00 0.67 -0.97 0.52 0.37 0.00 0.00 175.52 176.11 1fr3 n VAL 21 N -3.83 0.00 -3.91 3.16 0.31 -1.26 -4.89 118.33 107.91 1fr3 n VAL 21 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 1fr3 n VAL 21 Cb 0.76 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.98 2.94 0.01 5.55 -1.94 -1.26 -1.11 119.30 121.51 1fr3 s MET 22 Ca 0.00 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1fr3 s MET 22 Cb 0.00 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 1fr3 s MET 22 CO 0.00 0.26 -0.07 0.00 -0.01 0.00 0.00 175.02 175.20 1fr3 s ALA 23 N -2.18 0.58 -0.26 3.03 0.00 0.12 -0.47 121.76 122.58 1fr3 s ALA 23 Ca 0.37 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1fr3 s ALA 23 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1fr3 s ALA 23 CO 0.27 0.11 0.28 0.21 0.00 0.00 0.00 175.76 176.63 1fr3 s LYS 24 N -0.48 4.03 -0.34 0.00 2.20 -0.04 -1.86 119.74 123.25 1fr3 s LYS 24 Ca 0.00 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.44 1fr3 s LYS 24 Cb -0.04 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1fr3 s LYS 24 CO -0.00 -0.14 0.12 0.42 -0.36 0.00 0.00 175.35 175.39 1fr3 s ILE 25 N 1.66 3.92 -0.21 5.43 -1.09 0.52 -1.62 121.20 129.81 1fr3 s ILE 25 Ca 0.12 -1.08 -0.14 0.00 -2.23 0.00 0.00 60.65 57.32 1fr3 s ILE 25 Cb -0.15 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1fr3 s ILE 25 CO 0.09 -0.18 0.32 -0.69 -1.23 0.00 0.00 174.94 173.24 1fr3 s VAL 26 N 1.43 5.26 0.20 2.92 1.01 0.15 -1.21 120.40 130.15 1fr3 s VAL 26 Ca -0.01 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1fr3 s VAL 26 Cb -0.19 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1fr3 s VAL 26 CO 0.03 0.29 -0.10 -0.04 0.00 0.00 0.00 175.10 175.28 1fr3 s MET 27 N 1.19 1.28 -0.15 2.72 -1.94 0.04 0.16 119.30 122.59 1fr3 s MET 27 Ca 0.15 -1.59 -0.02 0.00 -1.71 0.00 0.00 55.69 52.52 1fr3 s MET 27 Cb -0.14 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.78 1fr3 s MET 27 CO 0.07 0.09 -0.08 0.34 -0.01 0.00 0.00 175.02 175.42 1fr3 s ASP 28 N -3.29 4.36 -0.33 3.03 -1.08 0.19 -0.63 116.67 118.93 1fr3 s ASP 28 Ca 0.23 -0.26 0.03 0.00 -0.52 0.00 0.00 52.55 52.02 1fr3 s ASP 28 Cb 0.02 -1.70 0.10 0.00 -1.46 0.00 0.00 42.92 39.88 1fr3 s ASP 28 CO 0.06 0.14 0.06 -0.47 0.52 0.00 0.00 175.17 175.48 1fr3 s TYR 29 N 0.52 3.16 -1.62 -5.34 5.04 0.51 -1.75 117.35 117.87 1fr3 s TYR 29 Ca -0.06 -2.63 -0.11 0.00 -2.44 0.00 0.00 57.07 51.83 1fr3 s TYR 29 Cb -0.15 -2.56 0.10 0.00 0.35 0.00 0.00 41.96 39.70 1fr3 s TYR 29 CO 0.03 -0.93 0.55 1.63 -1.34 0.00 0.00 175.55 175.50 1fr3 n LYS 30 N 4.43 -2.63 0.00 4.97 5.02 -1.26 -0.59 118.16 128.10 1fr3 n LYS 30 Ca 0.02 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1fr3 n LYS 30 Cb 0.42 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 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 -1.70 1.35 3.81 0.72 0.00 -1.26 -5.04 105.19 103.06 1fr3 n GLY 31 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.34 5.46 0.02 2.61 2.01 0.24 -5.08 115.64 118.57 1fr3 s THR 32 Ca 0.00 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 1fr3 s THR 32 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1fr3 s THR 32 CO 0.00 0.53 0.82 -0.70 -0.69 0.00 0.00 174.62 174.58 1fr3 s GLU 33 N -0.36 4.52 0.12 4.92 2.12 -1.26 -0.37 118.70 128.39 1fr3 s GLU 33 Ca 0.12 1.14 0.07 0.00 0.36 0.00 0.00 54.97 56.67 1fr3 s GLU 33 Cb -0.12 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1fr3 s GLU 33 CO 0.01 0.15 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.28 1fr3 s LEU 34 N 0.37 3.05 -0.09 2.70 1.43 0.20 -4.95 118.68 121.39 1fr3 s LEU 34 Ca 0.42 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1fr3 s LEU 34 Cb -0.20 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1fr3 s LEU 34 CO 0.24 0.16 0.00 -0.69 0.23 0.00 0.00 176.35 176.29 1fr3 s VAL 35 N -1.34 0.42 -0.01 -1.59 1.01 -1.26 -0.78 120.40 116.85 1fr3 s VAL 35 Ca 0.22 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1fr3 s VAL 35 Cb -0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1fr3 s VAL 35 CO 0.14 0.21 -0.17 0.00 0.00 0.00 0.00 175.10 175.29 1fr3 s ALA 36 N 1.95 2.60 -0.30 5.51 0.00 -0.35 -4.97 121.76 126.20 1fr3 s ALA 36 Ca 0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1fr3 s ALA 36 Cb -0.13 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.20 1fr3 s ALA 36 CO -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 175.76 176.26 1fr3 s ALA 37 N -0.80 2.79 0.43 0.00 0.00 -1.26 -0.35 121.76 122.57 1fr3 s ALA 37 Ca 0.13 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.32 1fr3 s ALA 37 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1fr3 s ALA 37 CO 0.02 -1.28 0.09 0.96 0.00 0.00 0.00 175.76 175.55 1fr3 s ILE 38 N 1.23 0.81 0.51 0.00 -4.36 -0.78 -4.94 121.20 113.67 1fr3 s ILE 38 Ca -0.05 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.16 1fr3 s ILE 38 Cb -0.20 -2.36 -0.08 0.00 1.25 0.00 0.00 42.46 41.08 1fr3 s ILE 38 CO -0.02 0.00 1.01 0.42 0.24 0.00 0.00 174.94 176.59 1fr3 s THR 39 N -3.13 4.20 0.43 8.37 -4.23 -1.26 0.11 115.64 120.13 1fr3 s THR 39 Ca 0.21 1.17 0.24 0.00 -1.18 0.00 0.00 61.69 62.13 1fr3 s THR 39 Cb 0.03 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.57 1fr3 s THR 39 CO 0.12 -0.49 2.06 0.16 -0.54 0.00 0.00 174.62 175.92 1fr3 h ILE 40 N 1.12 0.71 -0.94 2.99 3.07 -1.37 -1.70 117.51 121.39 1fr3 h ILE 40 Ca -0.48 -0.55 0.06 0.00 1.55 0.00 0.00 64.86 65.44 1fr3 h ILE 40 Cb 1.20 1.34 -0.06 0.00 -0.27 0.00 0.00 36.82 39.02 1fr3 h ILE 40 CO 0.60 0.13 0.61 0.44 -1.05 0.00 0.00 178.15 178.88 1fr3 h ASP 41 N 0.00 0.97 -0.09 2.16 3.32 -1.92 -1.19 116.42 119.68 1fr3 h ASP 41 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1fr3 h ASP 41 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1fr3 h ASP 41 CO 0.02 0.63 -0.51 0.28 -1.72 0.00 0.00 179.24 177.93 1fr3 h SER 42 N 1.10 0.73 -0.72 6.45 0.02 -1.69 -0.40 113.55 119.03 1fr3 h SER 42 Ca 0.40 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1fr3 h SER 42 Cb 0.15 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1fr3 h SER 42 CO -0.15 1.11 0.47 0.58 -1.14 0.00 0.00 176.83 177.70 1fr3 h VAL 43 N 0.52 1.15 -0.16 2.27 2.07 -1.09 -0.72 116.25 120.27 1fr3 h VAL 43 Ca 0.02 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1fr3 h VAL 43 Cb 1.07 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1fr3 h VAL 43 CO 0.10 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.70 1fr3 h ALA 44 N 1.28 0.24 -0.44 1.67 0.00 -1.03 -0.31 119.26 120.69 1fr3 h ALA 44 Ca 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fr3 h ALA 44 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fr3 h ALA 44 CO -0.08 0.15 0.21 0.22 0.00 0.00 0.00 179.25 179.75 1fr3 h ASP 45 N 0.05 0.57 0.90 0.00 3.58 -0.88 -2.69 116.42 117.95 1fr3 h ASP 45 Ca 0.03 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1fr3 h ASP 45 Cb 0.71 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1fr3 h ASP 45 CO 0.04 0.53 -0.25 0.18 -2.88 0.00 0.00 179.24 176.86 1fr3 n LEU 46 N -4.67 0.38 -3.73 2.28 4.32 -0.29 -4.94 117.00 110.35 1fr3 n LEU 46 Ca 0.01 0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 56.08 1fr3 n LEU 46 Cb 0.11 -0.35 0.02 0.00 -1.62 0.00 0.00 43.42 41.58 1fr3 n LEU 46 CO 0.36 0.00 -0.10 -0.67 -1.22 0.00 0.00 177.39 175.76 1fr3 n ASP 47 N -1.71 -1.91 -4.73 -1.43 2.03 -0.22 -4.90 116.55 103.68 1fr3 n ASP 47 Ca 0.06 -0.89 -0.42 0.00 0.52 0.00 0.00 54.79 54.06 1fr3 n ASP 47 Cb 0.37 -3.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.96 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 -6.64 4.40 0.04 -2.67 1.43 -0.66 -5.02 118.68 109.56 1fr3 s LEU 48 Ca 0.10 2.40 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 1fr3 s LEU 48 Cb -0.03 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1fr3 s LEU 48 CO 0.83 -0.58 0.04 0.68 0.23 0.00 0.00 176.35 177.56 1fr3 s VAL 49 N 0.39 0.16 0.26 -1.59 -7.23 -1.26 -4.97 120.40 106.16 1fr3 s VAL 49 Ca 0.59 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 1fr3 s VAL 49 Cb -0.37 -1.03 -0.13 0.00 0.56 0.00 0.00 36.38 35.40 1fr3 s VAL 49 CO 0.36 -0.72 1.31 -2.65 -0.31 0.00 0.00 175.10 173.10 1fr3 n PRO 50 N 0.62 1.89 0.00 4.82 -0.02 -1.26 -1.87 135.00 139.19 1fr3 n PRO 50 Ca -0.18 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1fr3 n PRO 50 Cb 0.59 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.72 3.41 3.77 -1.23 0.00 0.47 -5.00 105.19 108.33 1fr3 n GLY 51 Ca 0.10 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 1.22 0.00 0.00 0.00 173.32 174.54 1fr3 n ASP 52 N 0.00 3.81 -4.65 1.61 8.00 -0.78 -4.60 116.55 119.94 1fr3 n ASP 52 Ca 0.00 1.22 -0.40 0.00 0.71 0.00 0.00 54.79 56.32 1fr3 n ASP 52 Cb 0.00 -1.62 -0.06 0.00 -0.02 0.00 0.00 41.12 39.42 1fr3 n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1fr3 s LYS 53 N -1.97 4.17 0.34 -1.24 -0.14 -1.26 -0.81 119.74 118.82 1fr3 s LYS 53 Ca 0.54 0.56 0.05 0.00 -1.36 0.00 0.00 55.97 55.76 1fr3 s LYS 53 Cb -0.48 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.04 1fr3 s LYS 53 CO 0.63 -0.28 0.21 0.14 -0.76 0.00 0.00 175.35 175.28 1fr3 s VAL 54 N 2.06 0.21 -0.19 3.17 -7.23 -0.01 -5.00 120.40 113.40 1fr3 s VAL 54 Ca 0.27 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1fr3 s VAL 54 Cb -0.16 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.35 1fr3 s VAL 54 CO 0.10 0.00 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.82 1fr3 s THR 55 N -3.47 2.02 0.10 5.32 2.01 -1.26 -1.01 115.64 119.36 1fr3 s THR 55 Ca 0.35 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1fr3 s THR 55 Cb 0.03 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.58 1fr3 s THR 55 CO 0.21 0.41 0.99 0.00 -0.69 0.00 0.00 174.62 175.54 1fr3 s ALA 56 N 1.27 3.25 -0.08 7.40 0.00 0.45 -4.85 121.76 129.20 1fr3 s ALA 56 Ca 0.02 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1fr3 s ALA 56 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1fr3 s ALA 56 CO -0.11 -0.09 -0.20 -1.17 0.00 0.00 0.00 175.76 174.19 1fr3 s LEU 57 N 0.12 1.93 -0.04 0.00 2.96 -1.26 -0.84 118.68 121.55 1fr3 s LEU 57 Ca 0.48 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1fr3 s LEU 57 Cb -0.24 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.30 1fr3 s LEU 57 CO 0.30 0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.76 1fr3 s VAL 58 N 0.35 0.31 0.39 1.68 1.01 -0.34 -5.02 120.40 118.77 1fr3 s VAL 58 Ca -0.14 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 1fr3 s VAL 58 Cb -0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1fr3 s VAL 58 CO 0.06 0.20 1.26 -0.75 0.00 0.00 0.00 175.10 175.87 1fr3 s LYS 59 N 1.28 4.05 0.34 2.72 2.20 -1.26 -1.96 119.74 127.12 1fr3 s LYS 59 Ca -0.06 2.07 0.07 0.00 -0.36 0.00 0.00 55.97 57.69 1fr3 s LYS 59 Cb -0.13 -2.79 0.76 0.00 -1.51 0.00 0.00 37.83 34.16 1fr3 s LYS 59 CO -0.02 -0.39 1.87 0.00 -0.36 0.00 0.00 175.35 176.45 1fr3 h ALA 60 N 2.78 1.76 0.00 3.13 0.00 -1.92 -0.64 119.26 124.37 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 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1fr3 h ALA 60 CO 0.63 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.13 1fr3 n THR 61 N -4.56 0.73 0.01 0.00 -2.24 -1.26 -2.58 114.28 104.38 1fr3 n THR 61 Ca 0.17 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1fr3 n THR 61 Cb 0.43 -0.88 0.22 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.48 -3.79 -0.78 4.71 -0.25 -4.91 120.64 116.66 1fr3 n GLU 62 Ca 0.05 -2.25 -0.36 0.00 -0.01 0.00 0.00 57.16 54.59 1fr3 n GLU 62 Cb 0.19 -1.45 -0.13 0.00 -1.01 0.00 0.00 31.44 29.04 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 -1.18 3.54 0.58 3.49 1.75 -1.06 -4.96 119.30 121.45 1fr3 s MET 63 Ca 0.36 -0.55 -0.03 0.00 -1.25 0.00 0.00 55.69 54.22 1fr3 s MET 63 Cb 0.20 -3.26 0.02 0.00 2.84 0.00 0.00 34.83 34.63 1fr3 s MET 63 CO 0.27 -0.22 0.85 -1.21 -0.65 0.00 0.00 175.02 174.06 1fr3 s GLU 64 N 1.57 2.72 -0.04 4.11 2.02 -1.26 -5.05 118.70 122.77 1fr3 s GLU 64 Ca 0.06 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.75 1fr3 s GLU 64 Cb -0.15 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1fr3 s GLU 64 CO 0.02 -0.72 -0.12 0.08 0.02 0.00 0.00 175.26 174.53 1fr3 s VAL 65 N -2.90 1.04 0.01 2.63 1.01 -1.26 -5.15 120.40 115.78 1fr3 s VAL 65 Ca 0.55 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1fr3 s VAL 65 Cb -0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1fr3 s VAL 65 CO 0.42 0.31 -0.25 -0.76 0.00 0.00 0.00 175.10 174.83 1fr3 s LEU 66 N 0.22 2.11 0.00 3.92 1.43 -1.26 -5.34 118.68 119.76 1fr3 s LEU 66 Ca -0.05 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1fr3 s LEU 66 Cb -0.11 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1fr3 s LEU 66 CO 0.01 0.27 0.00 1.17 0.23 0.00 0.00 176.35 178.03