#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 1.49 -0.06 0.03 1.02 -1.26 -5.14 119.74 115.81 1fr3 s LYS 2 Ca 0.00 -1.30 0.06 0.00 0.02 0.00 0.00 55.97 54.74 1fr3 s LYS 2 Cb 0.00 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1fr3 s LYS 2 CO 0.00 0.46 -0.24 0.42 -0.92 0.00 0.00 175.35 175.07 1fr3 s ILE 3 N -1.03 1.98 0.29 2.17 1.01 -1.26 -5.04 121.20 119.32 1fr3 s ILE 3 Ca 0.14 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1fr3 s ILE 3 Cb -0.10 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.73 1fr3 s ILE 3 CO 0.06 0.55 1.69 0.77 0.00 0.00 0.00 174.94 178.01 1fr3 h SER 4 N 6.13 0.32 -1.60 3.58 4.64 -2.02 -3.43 113.55 121.17 1fr3 h SER 4 Ca -0.31 -0.13 -0.68 0.00 -0.47 0.00 0.00 61.79 60.20 1fr3 h SER 4 Cb 1.18 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1fr3 h SER 4 CO 0.47 0.68 1.09 0.61 -0.87 0.00 0.00 176.83 178.81 1fr3 n GLY 5 N -0.20 0.98 0.16 -0.77 0.00 -1.26 -4.83 105.19 99.26 1fr3 n GLY 5 Ca -0.01 0.91 0.04 0.00 0.00 0.00 0.00 46.02 46.96 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 9.07 0.00 -4.90 1.61 2.47 -1.83 -3.43 114.38 117.38 1fr3 h ARG 6 Ca -0.43 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.60 1fr3 h ARG 6 Cb 1.30 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.44 1fr3 h ARG 6 CO 0.97 0.45 -0.13 -0.80 0.56 0.00 0.00 179.97 181.02 1fr3 s ASN 7 N -6.43 6.21 -0.22 7.04 0.01 -0.79 -5.00 114.94 115.76 1fr3 s ASN 7 Ca 0.03 -0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 51.40 1fr3 s ASN 7 Cb 0.09 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1fr3 s ASN 7 CO 0.72 -0.67 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.07 1fr3 s LYS 8 N 2.27 3.40 -0.29 -0.60 3.01 -1.26 -1.35 119.74 124.92 1fr3 s LYS 8 Ca 0.13 -0.61 -0.02 0.00 -1.01 0.00 0.00 55.97 54.46 1fr3 s LYS 8 Cb -0.18 -3.04 0.04 0.00 -1.01 0.00 0.00 37.83 33.65 1fr3 s LYS 8 CO 0.13 -0.20 -0.01 -0.51 0.51 0.00 0.00 175.35 175.27 1fr3 s LEU 9 N 1.49 3.74 -0.54 3.17 1.43 0.36 -4.94 118.68 123.39 1fr3 s LEU 9 Ca 0.06 -1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 51.69 1fr3 s LEU 9 Cb -0.14 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1fr3 s LEU 9 CO -0.03 -0.23 1.44 -1.61 0.23 0.00 0.00 176.35 176.15 1fr3 s GLU 10 N 1.27 3.30 0.47 1.70 2.02 -1.26 -0.59 118.70 125.61 1fr3 s GLU 10 Ca -0.04 0.53 0.01 0.00 0.02 0.00 0.00 54.97 55.49 1fr3 s GLU 10 Cb -0.19 -4.13 -0.01 0.00 0.10 0.00 0.00 34.13 29.91 1fr3 s GLU 10 CO -0.02 -1.93 0.05 0.00 0.02 0.00 0.00 175.26 173.38 1fr3 n ALA 11 N 9.65 0.48 -3.02 5.21 0.00 0.29 -4.73 120.51 128.38 1fr3 n ALA 11 Ca 0.13 -2.20 -0.26 0.00 0.00 0.00 0.00 53.44 51.11 1fr3 n ALA 11 Cb 0.49 1.29 -0.16 0.00 0.00 0.00 0.00 19.45 21.07 1fr3 n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fr3 s THR 12 N -2.91 1.45 0.05 0.00 2.01 -0.35 -1.34 115.64 114.55 1fr3 s THR 12 Ca 0.07 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.06 1fr3 s THR 12 Cb 0.00 -1.25 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 1fr3 s THR 12 CO 0.05 0.42 1.29 -0.69 -0.69 0.00 0.00 174.62 175.00 1fr3 s VAL 13 N 0.17 3.80 -0.21 3.82 1.01 -0.02 -0.60 120.40 128.38 1fr3 s VAL 13 Ca -0.07 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1fr3 s VAL 13 Cb -0.13 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1fr3 s VAL 13 CO 0.03 0.07 -0.20 0.29 0.00 0.00 0.00 175.10 175.29 1fr3 n LYS 14 N 4.37 0.50 -3.71 2.72 5.02 0.87 -0.36 118.16 127.57 1fr3 n LYS 14 Ca 0.11 0.13 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1fr3 n LYS 14 Cb 0.45 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.71 -0.11 1.97 2.12 -1.04 -4.80 118.70 115.15 1fr3 s GLU 15 Ca -0.28 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 1fr3 s GLU 15 Cb 0.08 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.82 1fr3 s GLU 15 CO 0.45 -0.19 -0.08 0.42 -0.54 0.00 0.00 175.26 175.33 1fr3 s ILE 16 N -1.03 0.99 -0.19 -3.70 1.01 -1.26 -0.62 121.20 116.40 1fr3 s ILE 16 Ca -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1fr3 s ILE 16 Cb -0.04 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1fr3 s ILE 16 CO 0.05 0.36 -0.14 -0.69 0.00 0.00 0.00 174.94 174.51 1fr3 s VAL 17 N 1.61 2.53 -0.16 2.92 1.01 -0.35 -4.97 120.40 122.99 1fr3 s VAL 17 Ca 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1fr3 s VAL 17 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1fr3 s VAL 17 CO -0.07 0.50 0.01 -0.54 0.00 0.00 0.00 175.10 175.00 1fr3 s LYS 18 N 1.33 3.76 0.00 2.72 1.02 -1.26 -0.27 119.74 127.04 1fr3 s LYS 18 Ca 0.05 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1fr3 s LYS 18 Cb -0.14 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1fr3 s LYS 18 CO -0.09 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1fr3 n GLY 19 N 3.43 3.77 0.18 -3.33 0.00 0.36 -5.01 105.19 104.59 1fr3 n GLY 19 Ca -0.17 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 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 0.06 1.38 0.00 2.61 2.02 -2.03 -3.41 112.91 113.55 1fr3 h THR 20 Ca 0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1fr3 h THR 20 Cb 0.00 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1fr3 h THR 20 CO 0.00 0.62 -0.86 0.52 0.37 0.00 0.00 175.52 176.18 1fr3 n VAL 21 N -3.85 0.00 -4.11 3.16 0.31 -1.26 -4.92 118.33 107.66 1fr3 n VAL 21 Ca -0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.08 1fr3 n VAL 21 Cb 0.68 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 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 -1.93 2.94 -0.00 5.55 -1.94 -1.26 -1.03 119.30 121.62 1fr3 s MET 22 Ca 0.00 -1.05 0.04 0.00 -1.71 0.00 0.00 55.69 52.97 1fr3 s MET 22 Cb 0.00 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 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 -2.13 1.10 -0.23 3.03 0.00 1.00 -0.49 121.76 124.03 1fr3 s ALA 23 Ca 0.33 -0.60 -0.15 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 0.25 0.26 0.36 0.21 0.00 0.00 0.00 175.76 176.84 1fr3 s LYS 24 N -0.43 4.11 -0.34 0.00 2.20 0.63 -1.82 119.74 124.09 1fr3 s LYS 24 Ca 0.05 0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 1fr3 s LYS 24 Cb -0.05 -3.57 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1fr3 s LYS 24 CO -0.00 -0.10 0.12 0.42 -0.36 0.00 0.00 175.35 175.42 1fr3 s ILE 25 N 1.52 3.86 -0.18 5.43 -1.09 0.15 -1.21 121.20 129.68 1fr3 s ILE 25 Ca 0.16 -1.11 -0.16 0.00 -2.23 0.00 0.00 60.65 57.31 1fr3 s ILE 25 Cb -0.15 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1fr3 s ILE 25 CO 0.08 -0.19 0.39 -0.69 -1.23 0.00 0.00 174.94 173.30 1fr3 s VAL 26 N 1.42 5.22 0.16 2.92 1.01 0.21 -1.23 120.40 130.10 1fr3 s VAL 26 Ca -0.01 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1fr3 s VAL 26 Cb -0.20 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1fr3 s VAL 26 CO 0.03 0.29 -0.13 -0.04 0.00 0.00 0.00 175.10 175.25 1fr3 s MET 27 N 1.06 1.15 -0.15 2.72 -1.94 0.16 -0.09 119.30 122.21 1fr3 s MET 27 Ca 0.19 -1.44 -0.04 0.00 -1.71 0.00 0.00 55.69 52.69 1fr3 s MET 27 Cb -0.14 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.77 1fr3 s MET 27 CO 0.07 0.15 -0.00 0.34 -0.01 0.00 0.00 175.02 175.57 1fr3 s ASP 28 N -3.01 5.12 -0.40 3.03 -1.08 0.24 -0.17 116.67 120.40 1fr3 s ASP 28 Ca 0.16 -0.01 0.01 0.00 -0.52 0.00 0.00 52.55 52.20 1fr3 s ASP 28 Cb -0.01 -1.76 0.13 0.00 -1.46 0.00 0.00 42.92 39.82 1fr3 s ASP 28 CO 0.04 0.22 0.21 -0.47 0.52 0.00 0.00 175.17 175.68 1fr3 s TYR 29 N 0.08 1.68 -1.50 -5.34 5.04 0.71 -1.20 117.35 116.82 1fr3 s TYR 29 Ca 0.02 -2.14 -0.11 0.00 -2.44 0.00 0.00 57.07 52.40 1fr3 s TYR 29 Cb -0.13 -1.67 0.07 0.00 0.35 0.00 0.00 41.96 40.58 1fr3 s TYR 29 CO 0.02 -0.81 0.89 1.63 -1.34 0.00 0.00 175.55 175.95 1fr3 n LYS 30 N 3.88 -5.18 -0.01 4.97 5.02 -1.26 -1.32 118.16 124.26 1fr3 n LYS 30 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1fr3 n LYS 30 Cb 0.36 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 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 -1.67 0.93 3.73 0.72 0.00 -1.26 -5.05 105.19 102.58 1fr3 n GLY 31 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.32 4.96 0.04 2.61 2.01 -0.44 -5.08 115.64 117.43 1fr3 s THR 32 Ca 0.00 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 1fr3 s THR 32 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1fr3 s THR 32 CO 0.00 0.54 0.90 -0.70 -0.69 0.00 0.00 174.62 174.67 1fr3 s GLU 33 N -0.31 4.58 0.15 4.92 2.12 -1.26 -0.21 118.70 128.70 1fr3 s GLU 33 Ca 0.09 1.31 0.09 0.00 0.36 0.00 0.00 54.97 56.82 1fr3 s GLU 33 Cb -0.12 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1fr3 s GLU 33 CO 0.01 0.12 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.21 1fr3 s LEU 34 N 0.43 2.86 -0.08 2.70 1.43 0.76 -4.96 118.68 121.82 1fr3 s LEU 34 Ca 0.46 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1fr3 s LEU 34 Cb -0.21 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1fr3 s LEU 34 CO 0.27 0.14 -0.01 -0.69 0.23 0.00 0.00 176.35 176.28 1fr3 s VAL 35 N -1.48 0.46 0.04 -1.59 1.01 -1.26 -0.67 120.40 116.92 1fr3 s VAL 35 Ca 0.22 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1fr3 s VAL 35 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1fr3 s VAL 35 CO 0.13 0.27 -0.16 0.00 0.00 0.00 0.00 175.10 175.34 1fr3 s ALA 36 N 1.89 2.67 -0.28 5.51 0.00 -0.37 -4.97 121.76 126.22 1fr3 s ALA 36 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1fr3 s ALA 36 Cb -0.12 -0.79 0.06 0.00 0.00 0.00 0.00 23.12 22.26 1fr3 s ALA 36 CO -0.05 0.58 -0.05 0.00 0.00 0.00 0.00 175.76 176.24 1fr3 s ALA 37 N -0.96 2.70 0.41 0.00 0.00 -1.26 -0.68 121.76 121.97 1fr3 s ALA 37 Ca 0.15 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1fr3 s ALA 37 Cb -0.11 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1fr3 s ALA 37 CO 0.06 -1.24 0.07 0.96 0.00 0.00 0.00 175.76 175.61 1fr3 s ILE 38 N 1.18 0.99 0.47 0.00 -4.36 -0.75 -4.94 121.20 113.78 1fr3 s ILE 38 Ca -0.07 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.12 1fr3 s ILE 38 Cb -0.20 -2.49 -0.09 0.00 1.25 0.00 0.00 42.46 40.93 1fr3 s ILE 38 CO -0.03 0.00 0.98 0.42 0.24 0.00 0.00 174.94 176.55 1fr3 s THR 39 N -3.12 4.26 0.48 8.37 -4.23 -1.26 -0.00 115.64 120.13 1fr3 s THR 39 Ca 0.24 1.33 0.17 0.00 -1.18 0.00 0.00 61.69 62.25 1fr3 s THR 39 Cb 0.05 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.54 1fr3 s THR 39 CO 0.13 -0.38 2.07 0.16 -0.54 0.00 0.00 174.62 176.05 1fr3 h ILE 40 N 1.58 1.01 0.00 2.99 3.07 -1.34 -1.55 117.51 123.27 1fr3 h ILE 40 Ca -0.49 -0.37 -0.06 0.00 1.55 0.00 0.00 64.86 65.50 1fr3 h ILE 40 Cb 1.19 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.93 1fr3 h ILE 40 CO 0.60 0.10 -0.27 0.44 -1.05 0.00 0.00 178.15 177.98 1fr3 h ASP 41 N 0.00 0.00 -0.08 2.16 3.32 -1.92 -1.30 116.42 118.60 1fr3 h ASP 41 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1fr3 h ASP 41 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1fr3 h ASP 41 CO 0.01 0.27 -0.20 0.28 -1.72 0.00 0.00 179.24 177.88 1fr3 h SER 42 N 0.00 0.48 -0.62 6.45 0.02 -1.66 -0.08 113.55 118.13 1fr3 h SER 42 Ca -0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1fr3 h SER 42 Cb 0.56 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1fr3 h SER 42 CO 0.03 0.69 0.30 0.58 -1.14 0.00 0.00 176.83 177.29 1fr3 h VAL 43 N 0.43 1.22 -0.24 2.27 2.07 -1.20 -0.62 116.25 120.19 1fr3 h VAL 43 Ca 0.07 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1fr3 h VAL 43 Cb 0.60 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1fr3 h VAL 43 CO 0.04 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.87 1fr3 h ALA 44 N 1.13 0.33 -0.27 1.67 0.00 -1.16 0.88 119.26 121.84 1fr3 h ALA 44 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fr3 h ALA 44 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fr3 h ALA 44 CO -0.03 0.07 0.17 0.22 0.00 0.00 0.00 179.25 179.68 1fr3 h ASP 45 N 0.20 0.29 1.24 0.00 3.58 -0.83 -2.22 116.42 118.67 1fr3 h ASP 45 Ca 0.07 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1fr3 h ASP 45 Cb 0.43 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1fr3 h ASP 45 CO 0.01 0.21 0.00 0.18 -2.88 0.00 0.00 179.24 176.76 1fr3 n LEU 46 N -4.91 0.55 -3.67 2.28 4.32 -0.26 -4.93 117.00 110.38 1fr3 n LEU 46 Ca -0.02 0.56 -0.21 0.00 -0.02 0.00 0.00 56.01 56.32 1fr3 n LEU 46 Cb 0.03 -0.40 0.04 0.00 -1.62 0.00 0.00 43.42 41.47 1fr3 n LEU 46 CO 0.34 -0.17 -0.02 -0.67 -1.22 0.00 0.00 177.39 175.65 1fr3 n ASP 47 N -2.02 -1.70 -4.76 -1.43 2.03 0.25 -4.93 116.55 103.98 1fr3 n ASP 47 Ca 0.06 -0.78 -0.41 0.00 0.52 0.00 0.00 54.79 54.18 1fr3 n ASP 47 Cb 0.38 -4.24 -0.03 0.00 -0.72 0.00 0.00 41.12 36.51 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 -6.69 4.49 0.03 -2.67 1.43 -0.89 -5.04 118.68 109.34 1fr3 s LEU 48 Ca 0.07 2.45 -0.00 0.00 -1.03 0.00 0.00 54.13 55.62 1fr3 s LEU 48 Cb -0.03 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1fr3 s LEU 48 CO 0.80 -0.33 -0.03 0.68 0.23 0.00 0.00 176.35 177.70 1fr3 s VAL 49 N -1.06 0.14 0.25 -1.59 -7.23 -1.26 -4.99 120.40 104.66 1fr3 s VAL 49 Ca 0.47 -1.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.16 1fr3 s VAL 49 Cb -0.35 -0.63 -0.14 0.00 0.56 0.00 0.00 36.38 35.82 1fr3 s VAL 49 CO 0.46 -0.65 1.30 -2.65 -0.31 0.00 0.00 175.10 173.26 1fr3 n PRO 50 N 1.16 1.82 0.00 4.82 -0.02 -1.26 -1.64 135.00 139.88 1fr3 n PRO 50 Ca -0.21 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1fr3 n PRO 50 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.82 2.04 3.76 -1.23 0.00 0.52 -5.00 105.19 107.09 1fr3 n GLY 51 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.57 5.63 -0.15 1.61 1.01 -0.65 -4.66 116.67 117.89 1fr3 s ASP 52 Ca 0.00 2.56 -0.20 0.00 0.71 0.00 0.00 52.55 55.62 1fr3 s ASP 52 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1fr3 s ASP 52 CO 0.00 -1.30 0.56 -0.54 0.21 0.00 0.00 175.17 174.10 1fr3 s LYS 53 N -2.84 4.28 0.22 8.23 -0.14 -1.26 -0.84 119.74 127.39 1fr3 s LYS 53 Ca 0.69 0.55 0.01 0.00 -1.36 0.00 0.00 55.97 55.85 1fr3 s LYS 53 Cb -0.35 -3.51 -0.05 0.00 -1.68 0.00 0.00 37.83 32.24 1fr3 s LYS 53 CO 0.42 -0.05 0.08 0.14 -0.76 0.00 0.00 175.35 175.18 1fr3 s VAL 54 N 1.27 0.49 -0.28 3.17 -7.23 -0.45 -4.98 120.40 112.40 1fr3 s VAL 54 Ca 0.28 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 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 0.11 -0.14 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.87 1fr3 s THR 55 N -3.80 3.24 0.11 5.32 2.01 -1.26 -0.55 115.64 120.71 1fr3 s THR 55 Ca 0.34 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 1fr3 s THR 55 Cb 0.07 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.81 1fr3 s THR 55 CO 0.10 0.08 1.02 0.00 -0.69 0.00 0.00 174.62 175.13 1fr3 s ALA 56 N 1.36 3.28 -0.07 7.40 0.00 0.24 -4.83 121.76 129.14 1fr3 s ALA 56 Ca -0.00 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1fr3 s ALA 56 Cb -0.18 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1fr3 s ALA 56 CO -0.01 -0.13 -0.18 -1.17 0.00 0.00 0.00 175.76 174.27 1fr3 s LEU 57 N 0.10 1.90 -0.04 0.00 2.96 -1.26 -0.49 118.68 121.85 1fr3 s LEU 57 Ca 0.49 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1fr3 s LEU 57 Cb -0.25 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.35 1fr3 s LEU 57 CO 0.31 0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.73 1fr3 s VAL 58 N 0.34 0.53 0.29 1.68 1.01 -0.45 -5.02 120.40 118.78 1fr3 s VAL 58 Ca -0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1fr3 s VAL 58 Cb -0.15 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 1fr3 s VAL 58 CO 0.05 0.22 1.29 -0.75 0.00 0.00 0.00 175.10 175.91 1fr3 s LYS 59 N 0.92 4.40 0.36 2.72 2.20 -1.26 -1.88 119.74 127.19 1fr3 s LYS 59 Ca -0.11 2.13 0.09 0.00 -0.36 0.00 0.00 55.97 57.72 1fr3 s LYS 59 Cb -0.14 -3.12 0.82 0.00 -1.51 0.00 0.00 37.83 33.88 1fr3 s LYS 59 CO 0.00 -0.16 1.87 0.00 -0.36 0.00 0.00 175.35 176.70 1fr3 h ALA 60 N 4.00 1.84 0.00 3.13 0.00 -1.92 0.39 119.26 126.70 1fr3 h ALA 60 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1fr3 h ALA 60 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fr3 h ALA 60 CO 0.69 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.12 1fr3 n THR 61 N -4.56 0.50 -0.41 0.00 -2.24 -1.26 -2.64 114.28 103.67 1fr3 n THR 61 Ca 0.17 0.12 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 1fr3 n THR 61 Cb 0.46 -0.80 0.20 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.35 2.95 -3.83 -0.78 1.02 0.12 -4.93 120.64 113.84 1fr3 n GLU 62 Ca 0.08 -2.33 -0.36 0.00 -0.02 0.00 0.00 57.16 54.53 1fr3 n GLU 62 Cb 0.17 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.49 3.44 0.47 3.49 1.75 -1.08 -4.94 119.30 120.94 1fr3 s MET 63 Ca 0.31 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 54.16 1fr3 s MET 63 Cb 0.19 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.69 1fr3 s MET 63 CO 0.16 -0.23 0.68 -1.21 -0.65 0.00 0.00 175.02 173.77 1fr3 s GLU 64 N 1.53 2.97 -0.05 4.11 2.02 -1.26 -5.05 118.70 122.97 1fr3 s GLU 64 Ca 0.06 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.54 1fr3 s GLU 64 Cb -0.15 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 1fr3 s GLU 64 CO 0.00 -0.35 -0.23 0.08 0.02 0.00 0.00 175.26 174.78 1fr3 s VAL 65 N -2.58 1.90 -0.01 2.63 1.01 -1.26 -5.13 120.40 116.96 1fr3 s VAL 65 Ca 0.50 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1fr3 s VAL 65 Cb -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1fr3 s VAL 65 CO 0.38 0.53 -0.22 -0.76 0.00 0.00 0.00 175.10 175.03 1fr3 s LEU 66 N -0.20 2.29 0.00 3.92 1.02 -1.26 -5.34 118.68 119.12 1fr3 s LEU 66 Ca -0.01 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1fr3 s LEU 66 Cb -0.12 -1.40 0.00 0.00 0.02 0.00 0.00 46.19 44.68 1fr3 s LEU 66 CO 0.03 0.31 0.00 1.17 0.02 0.00 0.00 176.35 177.87