#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 3.96 -0.08 0.03 1.02 -1.26 -5.06 119.74 118.35 1fr3 s LYS 2 Ca 0.00 0.89 0.04 0.00 0.02 0.00 0.00 55.97 56.92 1fr3 s LYS 2 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1fr3 s LYS 2 CO 0.00 -0.19 -0.20 0.42 -0.92 0.00 0.00 175.35 174.47 1fr3 s ILE 3 N -2.50 1.73 0.24 2.17 1.01 -1.26 -5.04 121.20 117.56 1fr3 s ILE 3 Ca 0.58 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1fr3 s ILE 3 Cb -0.10 -1.51 0.19 0.00 0.01 0.00 0.00 42.46 41.05 1fr3 s ILE 3 CO 0.28 0.49 1.84 0.77 0.00 0.00 0.00 174.94 178.32 1fr3 h SER 4 N 6.75 1.04 -1.09 3.58 4.64 -2.02 -3.42 113.55 123.03 1fr3 h SER 4 Ca -0.24 -0.12 -0.75 0.00 -0.47 0.00 0.00 61.79 60.21 1fr3 h SER 4 Cb 1.22 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1fr3 h SER 4 CO 0.47 0.88 1.05 0.61 -0.87 0.00 0.00 176.83 178.97 1fr3 n GLY 5 N -1.05 0.50 0.15 -0.77 0.00 -1.26 -4.82 105.19 97.94 1fr3 n GLY 5 Ca 0.08 0.98 0.02 0.00 0.00 0.00 0.00 46.02 47.10 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 8.22 0.00 -4.78 1.61 2.47 -1.82 -3.43 114.38 116.66 1fr3 h ARG 6 Ca -0.36 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 57.66 1fr3 h ARG 6 Cb 1.35 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.47 1fr3 h ARG 6 CO 1.00 0.52 -0.04 -0.80 0.56 0.00 0.00 179.97 181.21 1fr3 s ASN 7 N -6.51 6.20 -0.30 7.04 0.01 -0.79 -5.01 114.94 115.59 1fr3 s ASN 7 Ca 0.01 -1.06 -0.09 0.00 -0.71 0.00 0.00 52.86 51.02 1fr3 s ASN 7 Cb 0.10 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1fr3 s ASN 7 CO 0.73 -0.85 0.12 -0.54 -1.51 0.00 0.00 177.10 175.05 1fr3 s LYS 8 N 2.39 3.33 -0.39 -0.60 3.01 -1.26 -1.11 119.74 125.11 1fr3 s LYS 8 Ca 0.12 -0.71 -0.03 0.00 -1.01 0.00 0.00 55.97 54.34 1fr3 s LYS 8 Cb -0.21 -3.48 0.10 0.00 -1.01 0.00 0.00 37.83 33.23 1fr3 s LYS 8 CO 0.10 -0.39 0.17 -0.51 0.51 0.00 0.00 175.35 175.24 1fr3 s LEU 9 N 1.59 5.01 -0.46 3.17 1.43 0.38 -4.95 118.68 124.85 1fr3 s LEU 9 Ca 0.04 -1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 51.01 1fr3 s LEU 9 Cb -0.17 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1fr3 s LEU 9 CO 0.05 -0.49 1.40 -1.61 0.23 0.00 0.00 176.35 175.93 1fr3 s GLU 10 N 1.19 3.49 0.42 1.70 0.41 -1.26 -0.49 118.70 124.17 1fr3 s GLU 10 Ca 0.05 0.77 0.04 0.00 -0.41 0.00 0.00 54.97 55.42 1fr3 s GLU 10 Cb -0.22 -4.05 -0.02 0.00 -1.78 0.00 0.00 34.13 28.06 1fr3 s GLU 10 CO -0.03 -1.68 0.14 0.00 -0.49 0.00 0.00 175.26 173.20 1fr3 s ALA 11 N 5.60 3.04 -0.06 5.21 0.00 0.00 -4.61 121.76 130.94 1fr3 s ALA 11 Ca 0.58 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1fr3 s ALA 11 Cb -0.12 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 1fr3 s ALA 11 CO 0.30 -0.34 -0.20 0.99 0.00 0.00 0.00 175.76 176.52 1fr3 s THR 12 N -3.17 1.71 0.07 0.00 2.01 -0.41 -1.15 115.64 114.70 1fr3 s THR 12 Ca 0.22 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.06 1fr3 s THR 12 Cb 0.02 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 1fr3 s THR 12 CO 0.14 0.48 1.27 -0.69 -0.69 0.00 0.00 174.62 175.14 1fr3 s VAL 13 N 0.11 3.79 -0.20 3.82 1.01 -0.13 -0.63 120.40 128.17 1fr3 s VAL 13 Ca -0.08 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.20 1fr3 s VAL 13 Cb -0.14 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 1fr3 s VAL 13 CO 0.04 0.09 -0.17 0.29 0.00 0.00 0.00 175.10 175.36 1fr3 n LYS 14 N 4.05 0.58 -3.60 2.72 5.02 0.71 -0.26 118.16 127.37 1fr3 n LYS 14 Ca 0.10 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.34 1fr3 n LYS 14 Cb 0.45 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.41 0.94 -0.06 1.97 2.12 -0.98 -4.79 118.70 115.48 1fr3 s GLU 15 Ca -0.26 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1fr3 s GLU 15 Cb 0.07 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.92 1fr3 s GLU 15 CO 0.49 -0.29 -0.06 0.42 -0.54 0.00 0.00 175.26 175.28 1fr3 s ILE 16 N -1.37 0.69 -0.17 -3.70 1.01 -1.26 -0.84 121.20 115.56 1fr3 s ILE 16 Ca -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1fr3 s ILE 16 Cb -0.02 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1fr3 s ILE 16 CO 0.07 0.28 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 1fr3 s VAL 17 N 1.17 2.03 -0.21 2.92 1.01 -0.35 -4.97 120.40 122.00 1fr3 s VAL 17 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1fr3 s VAL 17 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1fr3 s VAL 17 CO -0.01 0.54 0.11 -0.54 0.00 0.00 0.00 175.10 175.19 1fr3 s LYS 18 N 1.22 4.02 0.00 2.72 1.02 -1.26 -0.28 119.74 127.18 1fr3 s LYS 18 Ca 0.03 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1fr3 s LYS 18 Cb -0.13 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1fr3 s LYS 18 CO -0.11 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1fr3 n GLY 19 N 3.93 2.35 0.17 -3.33 0.00 0.78 -5.01 105.19 104.08 1fr3 n GLY 19 Ca -0.16 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 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 0.03 1.38 0.00 2.61 2.02 -2.03 -3.41 112.91 113.52 1fr3 h THR 20 Ca 0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 1fr3 h THR 20 Cb 0.00 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1fr3 h THR 20 CO 0.00 0.67 -0.94 0.52 0.37 0.00 0.00 175.52 176.15 1fr3 n VAL 21 N -3.81 0.00 -3.63 3.16 0.31 -1.26 -4.92 118.33 108.18 1fr3 n VAL 21 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.08 1fr3 n VAL 21 Cb 0.75 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.71 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 -1.97 3.01 -0.01 5.55 -1.94 -1.26 -1.24 119.30 121.45 1fr3 s MET 22 Ca 0.00 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 1fr3 s MET 22 Cb 0.00 -2.71 0.01 0.00 2.01 0.00 0.00 34.83 34.14 1fr3 s MET 22 CO 0.00 0.11 -0.00 0.00 -0.01 0.00 0.00 175.02 175.12 1fr3 s ALA 23 N -2.20 0.12 -0.20 3.03 0.00 0.14 -0.16 121.76 122.49 1fr3 s ALA 23 Ca 0.43 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 1fr3 s ALA 23 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1fr3 s ALA 23 CO 0.29 -0.01 0.46 0.21 0.00 0.00 0.00 175.76 176.71 1fr3 s LYS 24 N 0.27 4.19 -0.32 0.00 2.20 0.62 -1.93 119.74 124.76 1fr3 s LYS 24 Ca -0.02 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.85 1fr3 s LYS 24 Cb -0.04 -3.55 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1fr3 s LYS 24 CO -0.01 -0.09 0.07 0.42 -0.36 0.00 0.00 175.35 175.38 1fr3 s ILE 25 N 1.45 3.58 -0.20 5.43 -1.09 0.29 -1.21 121.20 129.44 1fr3 s ILE 25 Ca 0.22 -1.11 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 1fr3 s ILE 25 Cb -0.15 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1fr3 s ILE 25 CO 0.09 -0.09 0.28 -0.69 -1.23 0.00 0.00 174.94 173.29 1fr3 s VAL 26 N 1.38 5.29 0.14 2.92 1.01 -0.02 -1.44 120.40 129.68 1fr3 s VAL 26 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.48 1fr3 s VAL 26 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1fr3 s VAL 26 CO 0.01 0.33 -0.12 -0.04 0.00 0.00 0.00 175.10 175.28 1fr3 s MET 27 N 0.93 1.07 -0.20 2.72 -1.94 -0.14 -0.21 119.30 121.53 1fr3 s MET 27 Ca 0.14 -1.37 -0.07 0.00 -1.71 0.00 0.00 55.69 52.68 1fr3 s MET 27 Cb -0.14 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.87 1fr3 s MET 27 CO 0.05 0.13 0.05 0.34 -0.01 0.00 0.00 175.02 175.58 1fr3 s ASP 28 N -2.87 5.43 -0.28 3.03 -1.08 0.20 -0.45 116.67 120.66 1fr3 s ASP 28 Ca 0.14 -0.01 -0.00 0.00 -0.52 0.00 0.00 52.55 52.16 1fr3 s ASP 28 Cb -0.01 -1.94 0.08 0.00 -1.46 0.00 0.00 42.92 39.59 1fr3 s ASP 28 CO 0.02 0.12 0.05 -0.47 0.52 0.00 0.00 175.17 175.41 1fr3 s TYR 29 N 0.66 2.02 -1.64 -5.34 5.04 0.51 -1.28 117.35 117.33 1fr3 s TYR 29 Ca 0.03 -1.76 -0.15 0.00 -2.44 0.00 0.00 57.07 52.74 1fr3 s TYR 29 Cb -0.13 -1.72 0.13 0.00 0.35 0.00 0.00 41.96 40.58 1fr3 s TYR 29 CO 0.02 -0.82 0.78 1.63 -1.34 0.00 0.00 175.55 175.81 1fr3 n LYS 30 N 4.76 -3.59 -0.66 4.97 5.02 -1.26 -1.07 118.16 126.34 1fr3 n LYS 30 Ca -0.05 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1fr3 n LYS 30 Cb 0.43 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.53 0.79 3.33 0.72 0.00 -1.26 -5.05 105.19 102.19 1fr3 n GLY 31 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.96 2.16 0.10 2.61 2.01 -0.23 -5.12 115.64 114.22 1fr3 s THR 32 Ca 0.00 -1.09 -0.28 0.00 0.31 0.00 0.00 61.69 60.63 1fr3 s THR 32 Cb 0.00 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.69 1fr3 s THR 32 CO 0.00 0.56 0.88 -0.70 -0.69 0.00 0.00 174.62 174.67 1fr3 s GLU 33 N -0.68 4.63 0.14 4.92 2.12 -1.26 -0.36 118.70 128.21 1fr3 s GLU 33 Ca 0.10 1.30 0.09 0.00 0.36 0.00 0.00 54.97 56.82 1fr3 s GLU 33 Cb -0.10 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1fr3 s GLU 33 CO -0.01 0.29 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.36 1fr3 s LEU 34 N -0.19 2.88 -0.07 2.70 1.43 0.40 -4.95 118.68 120.89 1fr3 s LEU 34 Ca 0.43 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1fr3 s LEU 34 Cb -0.23 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1fr3 s LEU 34 CO 0.27 0.15 0.00 -0.69 0.23 0.00 0.00 176.35 176.31 1fr3 s VAL 35 N -1.39 0.38 0.09 -1.59 1.01 -1.26 -0.97 120.40 116.67 1fr3 s VAL 35 Ca 0.21 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1fr3 s VAL 35 Cb -0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1fr3 s VAL 35 CO 0.13 0.25 -0.10 0.00 0.00 0.00 0.00 175.10 175.38 1fr3 s ALA 36 N 1.97 2.93 -0.30 5.51 0.00 -0.52 -4.97 121.76 126.37 1fr3 s ALA 36 Ca 0.05 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.82 1fr3 s ALA 36 Cb -0.12 -0.91 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1fr3 s ALA 36 CO -0.05 0.63 0.01 0.00 0.00 0.00 0.00 175.76 176.35 1fr3 s ALA 37 N -1.16 2.47 0.47 0.00 0.00 -1.26 -0.55 121.76 121.74 1fr3 s ALA 37 Ca 0.20 -2.08 0.03 0.00 0.00 0.00 0.00 51.96 50.12 1fr3 s ALA 37 Cb -0.11 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1fr3 s ALA 37 CO 0.12 -1.52 0.01 0.96 0.00 0.00 0.00 175.76 175.33 1fr3 s ILE 38 N 1.13 1.38 0.50 0.00 -4.36 -0.81 -4.91 121.20 114.13 1fr3 s ILE 38 Ca 0.05 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.25 1fr3 s ILE 38 Cb -0.19 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 41.01 1fr3 s ILE 38 CO -0.10 0.00 1.01 0.42 0.24 0.00 0.00 174.94 176.51 1fr3 s THR 39 N -2.85 4.11 0.42 8.37 -4.23 -1.26 0.25 115.64 120.45 1fr3 s THR 39 Ca 0.16 1.17 0.17 0.00 -1.18 0.00 0.00 61.69 62.02 1fr3 s THR 39 Cb 0.04 -3.54 0.19 0.00 1.34 0.00 0.00 72.50 70.54 1fr3 s THR 39 CO 0.08 -0.42 1.98 0.16 -0.54 0.00 0.00 174.62 175.87 1fr3 h ILE 40 N 1.25 1.01 -0.98 2.99 3.07 -1.43 -1.29 117.51 122.13 1fr3 h ILE 40 Ca -0.48 -0.75 0.06 0.00 1.55 0.00 0.00 64.86 65.24 1fr3 h ILE 40 Cb 1.20 1.42 -0.06 0.00 -0.27 0.00 0.00 36.82 39.11 1fr3 h ILE 40 CO 0.60 0.20 0.64 0.44 -1.05 0.00 0.00 178.15 178.98 1fr3 h ASP 41 N 0.00 1.02 -0.50 2.16 5.19 -1.92 -1.94 116.42 120.44 1fr3 h ASP 41 Ca -0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1fr3 h ASP 41 Cb 0.40 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1fr3 h ASP 41 CO 0.03 0.66 -0.17 0.28 -3.12 0.00 0.00 179.24 176.92 1fr3 h SER 42 N 1.16 1.01 -0.70 6.45 0.02 -1.62 0.35 113.55 120.23 1fr3 h SER 42 Ca 0.42 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1fr3 h SER 42 Cb 0.14 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1fr3 h SER 42 CO -0.16 1.16 0.40 0.58 -1.14 0.00 0.00 176.83 177.67 1fr3 h VAL 43 N 0.86 0.98 -0.26 2.27 2.07 -1.23 0.59 116.25 121.52 1fr3 h VAL 43 Ca 0.12 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1fr3 h VAL 43 Cb 0.74 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1fr3 h VAL 43 CO 0.06 0.13 -0.37 0.00 0.02 0.00 0.00 177.57 177.41 1fr3 h ALA 44 N 1.36 0.40 -0.40 1.67 0.00 -1.11 -0.57 119.26 120.60 1fr3 h ALA 44 Ca 0.31 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1fr3 h ALA 44 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1fr3 h ALA 44 CO -0.18 0.48 0.08 0.22 0.00 0.00 0.00 179.25 179.85 1fr3 h ASP 45 N 0.45 0.62 0.71 0.00 3.58 -0.66 -2.77 116.42 118.35 1fr3 h ASP 45 Ca 0.03 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1fr3 h ASP 45 Cb 0.96 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1fr3 h ASP 45 CO 0.09 0.71 -0.10 0.18 -2.88 0.00 0.00 179.24 177.24 1fr3 n LEU 46 N -4.54 0.17 -3.83 2.28 4.32 0.18 -4.92 117.00 110.66 1fr3 n LEU 46 Ca -0.01 0.28 -0.27 0.00 -0.02 0.00 0.00 56.01 56.00 1fr3 n LEU 46 Cb 0.22 -0.36 0.03 0.00 -1.62 0.00 0.00 43.42 41.70 1fr3 n LEU 46 CO 0.39 0.04 0.05 0.47 -1.22 0.00 0.00 177.39 177.12 1fr3 n ASP 47 N -1.35 -3.62 -4.72 -1.43 9.92 -0.29 -4.89 116.55 110.17 1fr3 n ASP 47 Ca 0.10 -0.78 -0.42 0.00 -0.53 0.00 0.00 54.79 53.15 1fr3 n ASP 47 Cb 0.31 -3.99 -0.03 0.00 -0.64 0.00 0.00 41.12 36.77 1fr3 n ASP 47 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1fr3 s LEU 48 N -7.08 4.37 0.07 0.64 1.43 -0.78 -5.03 118.68 112.30 1fr3 s LEU 48 Ca 0.43 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.98 1fr3 s LEU 48 Cb -0.21 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 1fr3 s LEU 48 CO 0.82 -0.76 0.16 0.68 0.23 0.00 0.00 176.35 177.48 1fr3 s VAL 49 N 1.02 0.14 0.35 -1.59 -7.23 -1.26 -4.98 120.40 106.86 1fr3 s VAL 49 Ca 0.67 -1.17 -0.27 0.00 -1.81 0.00 0.00 61.98 59.40 1fr3 s VAL 49 Cb -0.41 -1.24 -0.12 0.00 0.56 0.00 0.00 36.38 35.17 1fr3 s VAL 49 CO 0.32 -0.65 1.08 -2.65 -0.31 0.00 0.00 175.10 172.89 1fr3 n PRO 50 N 0.17 1.55 0.00 4.82 -0.02 -1.26 -1.94 135.00 138.31 1fr3 n PRO 50 Ca -0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1fr3 n PRO 50 Cb 0.61 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.09 3.25 3.74 -1.23 0.00 0.64 -4.97 105.19 107.71 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 -1.07 6.40 -0.26 1.61 1.01 -0.82 -4.67 116.67 118.88 1fr3 s ASP 52 Ca 0.00 2.90 -0.24 0.00 0.71 0.00 0.00 52.55 55.92 1fr3 s ASP 52 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1fr3 s ASP 52 CO 0.00 -0.92 0.80 -0.54 0.21 0.00 0.00 175.17 174.72 1fr3 s LYS 53 N 0.05 4.13 0.30 8.23 -0.14 -1.26 -0.96 119.74 130.09 1fr3 s LYS 53 Ca 0.67 0.82 0.02 0.00 -1.36 0.00 0.00 55.97 56.13 1fr3 s LYS 53 Cb -0.48 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 31.97 1fr3 s LYS 53 CO 0.42 -0.54 0.12 0.14 -0.76 0.00 0.00 175.35 174.74 1fr3 s VAL 54 N 2.83 0.51 -0.21 3.17 -7.23 -0.30 -5.01 120.40 114.17 1fr3 s VAL 54 Ca 0.33 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1fr3 s VAL 54 Cb -0.15 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1fr3 s VAL 54 CO 0.09 0.00 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.89 1fr3 s THR 55 N -3.60 2.90 0.02 5.32 2.01 -1.26 -0.82 115.64 120.20 1fr3 s THR 55 Ca 0.35 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 1fr3 s THR 55 Cb 0.06 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1fr3 s THR 55 CO 0.16 0.46 0.82 0.00 -0.69 0.00 0.00 174.62 175.36 1fr3 s ALA 56 N 1.41 3.30 -0.10 7.40 0.00 0.36 -4.86 121.76 129.27 1fr3 s ALA 56 Ca 0.05 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1fr3 s ALA 56 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1fr3 s ALA 56 CO -0.07 -0.05 -0.23 -1.17 0.00 0.00 0.00 175.76 174.24 1fr3 s LEU 57 N 0.37 2.06 -0.07 0.00 2.96 -1.26 -0.47 118.68 122.28 1fr3 s LEU 57 Ca 0.42 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1fr3 s LEU 57 Cb -0.20 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1fr3 s LEU 57 CO 0.24 0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.65 1fr3 s VAL 58 N 0.33 0.89 0.39 1.68 1.01 -0.26 -5.03 120.40 119.41 1fr3 s VAL 58 Ca -0.18 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1fr3 s VAL 58 Cb -0.18 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1fr3 s VAL 58 CO 0.08 0.31 1.24 -0.75 0.00 0.00 0.00 175.10 175.98 1fr3 s LYS 59 N 0.99 4.07 0.30 2.72 2.20 -1.26 -1.89 119.74 126.86 1fr3 s LYS 59 Ca -0.09 2.02 0.01 0.00 -0.36 0.00 0.00 55.97 57.55 1fr3 s LYS 59 Cb -0.15 -2.78 0.53 0.00 -1.51 0.00 0.00 37.83 33.93 1fr3 s LYS 59 CO 0.00 -0.36 1.90 0.00 -0.36 0.00 0.00 175.35 176.52 1fr3 h ALA 60 N 2.78 1.52 0.00 3.13 0.00 -1.92 -0.58 119.26 124.19 1fr3 h ALA 60 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1fr3 h ALA 60 Cb 1.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1fr3 h ALA 60 CO 0.63 0.32 0.00 0.25 0.00 0.00 0.00 179.25 180.45 1fr3 n THR 61 N -4.51 0.59 -0.39 0.00 -2.24 -1.26 -2.59 114.28 103.88 1fr3 n THR 61 Ca 0.15 0.15 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 1fr3 n THR 61 Cb 0.23 -0.86 0.23 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.34 2.99 -3.88 -0.78 -0.58 -0.23 -4.92 120.64 111.90 1fr3 n GLU 62 Ca 0.07 -2.41 -0.35 0.00 -0.42 0.00 0.00 57.16 54.04 1fr3 n GLU 62 Cb 0.15 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.38 1fr3 n GLU 62 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1fr3 s MET 63 N -1.36 3.24 0.54 3.49 1.75 -1.07 -4.93 119.30 120.95 1fr3 s MET 63 Ca 0.35 -0.73 -0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1fr3 s MET 63 Cb 0.21 -3.09 -0.01 0.00 2.84 0.00 0.00 34.83 34.78 1fr3 s MET 63 CO 0.20 -0.28 0.84 -1.21 -0.65 0.00 0.00 175.02 173.91 1fr3 s GLU 64 N 1.46 3.14 -0.07 4.11 2.02 -1.26 -5.05 118.70 123.06 1fr3 s GLU 64 Ca 0.04 0.01 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1fr3 s GLU 64 Cb -0.15 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1fr3 s GLU 64 CO -0.02 -0.49 -0.17 0.08 0.02 0.00 0.00 175.26 174.68 1fr3 s VAL 65 N -2.86 1.52 0.02 2.63 1.01 -1.26 -5.14 120.40 116.32 1fr3 s VAL 65 Ca 0.51 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1fr3 s VAL 65 Cb -0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1fr3 s VAL 65 CO 0.44 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.99 1fr3 s LEU 66 N 0.39 2.28 0.00 3.92 1.43 -1.26 -5.34 118.68 120.10 1fr3 s LEU 66 Ca -0.13 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1fr3 s LEU 66 Cb -0.15 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1fr3 s LEU 66 CO 0.05 0.28 0.00 1.17 0.23 0.00 0.00 176.35 178.08