#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fn5 s HIS 2 N 0.00 -0.06 -0.21 1.61 0.00 -1.26 -5.10 115.29 110.26 2fn5 s HIS 2 Ca 0.00 -0.46 -0.00 0.00 -3.00 0.00 0.00 55.06 51.60 2fn5 s HIS 2 Cb 0.00 0.75 0.02 0.00 -4.00 0.00 0.00 32.58 29.35 2fn5 s HIS 2 CO 0.00 -1.29 -0.13 1.41 -1.00 0.00 0.00 174.74 173.73 2fn5 s MET 3 N -3.19 2.89 -0.37 -0.38 0.00 -1.26 -4.33 119.30 112.67 2fn5 s MET 3 Ca 0.13 -0.91 -0.20 0.00 0.00 0.00 0.00 55.69 54.71 2fn5 s MET 3 Cb -0.05 -2.78 0.00 0.00 0.00 0.00 0.00 34.83 32.01 2fn5 s MET 3 CO 0.08 -0.31 0.63 -2.00 0.00 0.00 0.00 175.02 173.42 2fn5 s GLU 4 N 1.30 3.62 -0.30 4.11 2.12 -0.11 -4.85 118.70 124.59 2fn5 s GLU 4 Ca 0.02 -0.02 -0.22 0.00 0.36 0.00 0.00 54.97 55.10 2fn5 s GLU 4 Cb -0.15 -3.83 -0.00 0.00 0.26 0.00 0.00 34.13 30.41 2fn5 s GLU 4 CO -0.08 -0.76 0.73 -0.51 -0.54 0.00 0.00 175.26 174.10 2fn5 s LEU 5 N 2.69 4.11 -0.00 2.70 2.01 -1.26 -1.28 118.68 127.65 2fn5 s LEU 5 Ca 0.24 0.59 0.03 0.00 0.01 0.00 0.00 54.13 55.00 2fn5 s LEU 5 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 46.19 43.06 2fn5 s LEU 5 CO 0.15 -0.56 -0.10 0.72 1.01 0.00 0.00 176.35 177.57 2fn5 s PHE 6 N 2.83 0.90 -0.09 0.29 -0.12 0.91 -4.94 117.98 117.76 2fn5 s PHE 6 Ca 0.30 -0.19 -0.30 0.00 -0.05 0.00 0.00 56.93 56.69 2fn5 s PHE 6 Cb -0.14 -0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 2fn5 s PHE 6 CO 0.12 -0.01 1.10 -1.25 -0.05 0.00 0.00 175.22 175.13 2fn5 s PRO 7 N -0.33 4.38 -0.49 1.99 0.04 -1.26 -1.27 135.00 138.06 2fn5 s PRO 7 Ca 0.03 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 2fn5 s PRO 7 Cb -0.04 -3.56 0.13 0.00 0.04 0.00 0.00 34.50 31.07 2fn5 s PRO 7 CO -0.00 -0.40 0.30 0.08 0.04 0.00 0.00 177.00 177.02 2fn5 s VAL 8 N 2.19 3.59 -0.63 -0.36 1.01 0.16 -4.89 120.40 121.46 2fn5 s VAL 8 Ca 0.52 -2.27 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 2fn5 s VAL 8 Cb -0.21 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.79 2fn5 s VAL 8 CO 0.19 -0.76 1.22 -0.70 0.00 0.00 0.00 175.10 175.05 2fn5 s GLU 9 N 0.82 3.42 -0.07 2.72 2.12 -1.25 0.21 118.70 126.67 2fn5 s GLU 9 Ca 0.10 0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 2fn5 s GLU 9 Cb -0.22 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.06 2fn5 s GLU 9 CO -0.04 -1.82 0.21 -1.17 -0.54 0.00 0.00 175.26 171.90 2fn5 s LEU 10 N 5.20 4.40 -0.74 2.70 1.98 0.15 -4.89 118.68 127.48 2fn5 s LEU 10 Ca 0.41 0.56 -0.01 0.00 -2.89 0.00 0.00 54.13 52.20 2fn5 s LEU 10 Cb -0.08 -2.30 0.18 0.00 0.66 0.00 0.00 46.19 44.66 2fn5 s LEU 10 CO 0.22 0.36 0.57 -0.70 -1.89 0.00 0.00 176.35 174.91 2fn5 s GLU 11 N -1.23 2.81 1.00 1.98 2.12 -1.25 -0.20 118.70 123.93 2fn5 s GLU 11 Ca 0.20 -2.93 -0.12 0.00 0.36 0.00 0.00 54.97 52.48 2fn5 s GLU 11 Cb -0.13 -3.77 0.19 0.00 0.26 0.00 0.00 34.13 30.68 2fn5 s GLU 11 CO 0.09 -1.22 1.09 0.15 -0.54 0.00 0.00 175.26 174.82 2fn5 s LYS 12 N -0.74 0.39 0.94 4.30 -0.14 0.89 -4.85 119.74 120.53 2fn5 s LYS 12 Ca 0.22 0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 55.32 2fn5 s LYS 12 Cb -0.14 -1.72 0.16 0.00 -1.68 0.00 0.00 37.83 34.44 2fn5 s LYS 12 CO -0.08 -2.78 1.09 -0.51 -0.76 0.00 0.00 175.35 172.30 2fn5 s ASP 13 N -3.33 3.00 0.16 2.83 1.11 -1.25 -4.38 116.67 114.81 2fn5 s ASP 13 Ca 0.65 1.60 0.20 0.00 0.18 0.00 0.00 52.55 55.18 2fn5 s ASP 13 Cb -0.19 -2.25 0.84 0.00 1.07 0.00 0.00 42.92 42.39 2fn5 s ASP 13 CO 0.58 -2.95 1.62 -1.84 1.18 0.00 0.00 175.17 173.76 2fn5 n GLU 14 N -4.10 0.12 -0.10 8.23 0.28 -1.26 -1.74 120.64 122.07 2fn5 n GLU 14 Ca 0.07 0.35 -0.12 0.00 -0.16 0.00 0.00 57.16 57.30 2fn5 n GLU 14 Cb 0.55 -1.72 -0.04 0.00 1.43 0.00 0.00 31.44 31.65 2fn5 n GLU 14 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2fn5 h ASP 15 N 0.00 0.64 0.00 -1.84 3.58 -1.98 -3.47 116.42 113.35 2fn5 h ASP 15 Ca 0.00 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2fn5 h ASP 15 Cb 0.33 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2fn5 h ASP 15 CO 0.00 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 2fn5 n GLY 16 N -0.06 0.63 0.10 -0.78 0.00 -0.71 -4.89 105.19 99.48 2fn5 n GLY 16 Ca -0.03 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 2fn5 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 17 N 0.00 0.02 0.61 0.99 3.38 -1.85 -3.34 115.31 115.13 2fn5 h LEU 17 Ca 0.00 -0.56 -0.15 0.00 0.09 0.00 0.00 57.88 57.26 2fn5 h LEU 17 Cb 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2fn5 h LEU 17 CO 0.00 1.48 -0.15 0.61 0.09 0.00 0.00 178.44 180.46 2fn5 n GLY 18 N 1.47 0.61 4.02 0.83 0.00 -1.26 -4.03 105.19 106.83 2fn5 n GLY 18 Ca -0.31 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2fn5 n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2fn5 s ILE 19 N -2.30 2.05 0.05 -0.61 -4.36 -1.26 -2.70 121.20 112.06 2fn5 s ILE 19 Ca 0.00 -1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 59.26 2fn5 s ILE 19 Cb 0.00 -2.11 -0.00 0.00 1.25 0.00 0.00 42.46 41.60 2fn5 s ILE 19 CO 0.00 0.00 0.15 -0.44 0.24 0.00 0.00 174.94 174.89 2fn5 s SER 20 N -4.63 0.12 0.30 4.36 0.01 0.05 -4.92 113.70 108.99 2fn5 s SER 20 Ca 0.59 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 57.42 2fn5 s SER 20 Cb -0.05 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 2fn5 s SER 20 CO 0.37 -0.59 -0.06 0.27 0.41 0.00 0.00 173.24 173.63 2fn5 s ILE 21 N -3.00 2.78 -0.07 1.44 -5.25 -1.26 -0.19 121.20 115.65 2fn5 s ILE 21 Ca -0.02 -2.11 0.00 0.00 -0.99 0.00 0.00 60.65 57.54 2fn5 s ILE 21 Cb 0.01 -2.65 0.02 0.00 2.95 0.00 0.00 42.46 42.79 2fn5 s ILE 21 CO -0.06 -0.31 -0.05 -0.51 -1.79 0.00 0.00 174.94 172.22 2fn5 s ILE 22 N -2.47 0.71 -0.63 8.37 2.07 0.91 -4.42 121.20 125.74 2fn5 s ILE 22 Ca 0.32 -0.16 -0.22 0.00 -1.41 0.00 0.00 60.65 59.18 2fn5 s ILE 22 Cb -0.03 -0.74 0.07 0.00 0.13 0.00 0.00 42.46 41.88 2fn5 s ILE 22 CO 0.18 0.29 0.93 -0.83 -1.91 0.00 0.00 174.94 173.59 2fn5 s GLY 23 N 1.29 1.42 0.34 1.50 0.00 -1.26 -0.77 107.32 109.83 2fn5 s GLY 23 Ca -0.04 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 42.98 2fn5 s GLY 23 CO -0.02 2.00 0.27 1.06 0.00 0.00 0.00 173.10 176.41 2fn5 s MET 24 N 3.89 2.66 -0.44 2.90 -1.94 0.85 -4.96 119.30 122.25 2fn5 s MET 24 Ca 0.22 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 52.89 2fn5 s MET 24 Cb -0.17 -2.42 0.12 0.00 2.01 0.00 0.00 34.83 34.37 2fn5 s MET 24 CO 0.11 0.08 0.17 0.20 -0.01 0.00 0.00 175.02 175.58 2fn5 s GLY 25 N -3.98 2.22 -0.38 -0.03 0.00 -1.26 -3.02 107.32 100.87 2fn5 s GLY 25 Ca 0.41 -2.94 -0.18 0.00 0.00 0.00 0.00 44.72 42.00 2fn5 s GLY 25 CO 0.26 0.98 0.52 0.54 0.00 0.00 0.00 173.10 175.40 2fn5 s VAL 26 N 0.26 4.99 0.00 1.40 0.11 -1.26 -4.96 120.40 120.94 2fn5 s VAL 26 Ca 0.14 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2fn5 s VAL 26 Cb -0.23 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2fn5 s VAL 26 CO -0.04 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 2fn5 n GLY 27 N 4.90 1.26 2.83 6.54 0.00 -1.26 -4.08 105.19 115.37 2fn5 n GLY 27 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 s ALA 28 N -4.19 -0.72 0.00 4.61 0.00 -1.26 -4.33 121.76 115.87 2fn5 s ALA 28 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2fn5 s ALA 28 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2fn5 s ALA 28 CO 0.00 -1.48 0.00 -3.47 0.00 0.00 0.00 175.76 170.81 2fn5 n ASP 29 N 5.33 0.00 0.11 0.00 2.03 -1.26 -5.00 116.55 117.76 2fn5 n ASP 29 Ca -0.03 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.37 2fn5 n ASP 29 Cb 0.49 0.04 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fn5 h ALA 30 N 0.00 0.60 0.00 -1.67 0.00 -1.98 -3.47 119.26 112.74 2fn5 h ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2fn5 h ALA 30 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fn5 h ALA 30 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2fn5 n GLY 31 N 1.21 0.29 0.10 0.00 0.00 -1.26 -4.91 105.19 100.62 2fn5 n GLY 31 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 32 N 0.00 0.09 -2.20 0.99 4.07 -1.94 -3.42 115.31 112.90 2fn5 h LEU 32 Ca 0.00 -0.72 -0.60 0.00 0.08 0.00 0.00 57.88 56.64 2fn5 h LEU 32 Cb 0.00 -0.03 -0.17 0.00 1.08 0.00 0.00 40.66 41.54 2fn5 h LEU 32 CO 0.00 1.39 -0.96 -0.62 -1.08 0.00 0.00 178.44 177.17 2fn5 n GLU 33 N -4.35 -1.23 0.00 1.13 4.71 -1.26 -4.87 120.64 114.76 2fn5 n GLU 33 Ca -0.25 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 2fn5 n GLU 33 Cb 0.68 -3.65 0.00 0.00 -1.01 0.00 0.00 31.44 27.47 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2fn5 n LYS 34 N -4.59 0.00 -1.51 3.49 2.85 -1.26 -5.02 118.16 112.13 2fn5 n LYS 34 Ca -0.31 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.53 2fn5 n LYS 34 Cb 0.69 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.08 2fn5 n LYS 34 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2fn5 n LEU 35 N 0.00 0.87 -1.71 -5.58 -0.00 -1.26 -4.36 117.00 104.96 2fn5 n LEU 35 Ca 0.00 0.95 -0.15 0.00 -0.00 0.00 0.00 56.01 56.82 2fn5 n LEU 35 Cb 0.00 -1.19 0.19 0.00 -0.00 0.00 0.00 43.42 42.42 2fn5 n LEU 35 CO 0.00 -2.42 0.99 0.61 -0.00 0.00 0.00 177.39 176.57 2fn5 n GLY 36 N 1.59 4.74 3.52 1.47 0.00 -1.17 -4.75 105.19 110.60 2fn5 n GLY 36 Ca 0.11 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2fn5 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fn5 s ILE 37 N -3.31 3.96 0.39 -0.61 -1.09 -1.25 -0.11 121.20 119.18 2fn5 s ILE 37 Ca 0.51 0.20 0.07 0.00 -2.23 0.00 0.00 60.65 59.19 2fn5 s ILE 37 Cb 0.44 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 2fn5 s ILE 37 CO 0.05 -1.67 0.54 -0.36 -1.23 0.00 0.00 174.94 172.27 2fn5 s PHE 38 N 5.08 2.98 -0.39 3.97 0.08 0.05 -2.20 117.98 127.56 2fn5 s PHE 38 Ca 0.31 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.84 2fn5 s PHE 38 Cb -0.11 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2fn5 s PHE 38 CO 0.14 -0.24 0.97 0.08 -0.10 0.00 0.00 175.22 176.07 2fn5 s VAL 39 N -2.30 4.52 -0.03 -0.44 1.01 -0.00 -0.06 120.40 123.10 2fn5 s VAL 39 Ca 0.50 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.47 2fn5 s VAL 39 Cb -0.10 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.65 2fn5 s VAL 39 CO 0.33 -0.62 1.02 0.50 0.00 0.00 0.00 175.10 176.33 2fn5 h LYS 40 N 8.58 0.29 -3.51 2.72 1.63 -0.78 -3.39 116.57 122.10 2fn5 h LYS 40 Ca -0.23 -0.34 -0.06 0.00 -0.85 0.00 0.00 60.65 59.17 2fn5 h LYS 40 Cb 1.07 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.69 2fn5 h LYS 40 CO 1.01 1.06 -0.12 0.99 -3.45 0.00 0.00 179.45 178.94 2fn5 s THR 41 N -3.00 0.06 0.10 1.00 2.01 -0.99 -4.95 115.64 109.88 2fn5 s THR 41 Ca -0.14 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2fn5 s THR 41 Cb 0.02 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 2fn5 s THR 41 CO 0.79 -0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 2fn5 s VAL 42 N -3.87 0.84 0.45 3.82 1.01 -1.26 -0.77 120.40 120.61 2fn5 s VAL 42 Ca 0.09 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 2fn5 s VAL 42 Cb 0.01 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 34.73 2fn5 s VAL 42 CO -0.06 -0.73 0.75 1.07 0.00 0.00 0.00 175.10 176.13 2fn5 n THR 43 N 0.19 2.23 -0.33 3.92 5.66 -1.10 -4.82 114.28 120.04 2fn5 n THR 43 Ca -0.14 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.37 2fn5 n THR 43 Cb 0.60 -0.83 0.18 0.00 -1.55 0.00 0.00 70.33 68.73 2fn5 n THR 43 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2fn5 h GLU 44 N 0.99 1.15 0.00 1.09 4.11 -1.91 -3.39 114.58 116.61 2fn5 h GLU 44 Ca -0.43 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 58.87 2fn5 h GLU 44 Cb 1.37 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2fn5 h GLU 44 CO 0.53 0.76 0.03 0.41 0.07 0.00 0.00 179.01 180.81 2fn5 n GLY 45 N -1.39 -0.43 0.00 1.06 0.00 -1.26 -4.96 105.19 98.21 2fn5 n GLY 45 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2fn5 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fn5 n GLY 46 N -0.43 0.32 0.27 -0.02 0.00 -1.26 -4.67 105.19 99.40 2fn5 n GLY 46 Ca -0.14 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.16 2fn5 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 h ALA 47 N -1.09 1.19 0.27 4.61 0.00 -1.92 -0.36 119.26 121.96 2fn5 h ALA 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2fn5 h ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2fn5 h ALA 47 CO 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 179.25 178.93 2fn5 h ALA 48 N 1.52 -0.37 0.00 0.00 0.00 -1.91 0.67 119.26 119.17 2fn5 h ALA 48 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2fn5 h ALA 48 Cb 0.43 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2fn5 h ALA 48 CO 0.00 -0.35 -0.22 1.96 0.00 0.00 0.00 179.25 180.64 2fn5 h GLN 49 N -1.07 0.00 -0.41 0.00 4.20 -1.69 -2.36 115.11 113.77 2fn5 h GLN 49 Ca -0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2fn5 h GLN 49 Cb 0.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2fn5 h GLN 49 CO 0.06 0.22 -0.11 0.00 -0.67 0.00 0.00 178.83 178.32 2fn5 h ARG 50 N 0.00 0.73 0.71 1.46 2.47 -1.09 -3.18 114.38 115.48 2fn5 h ARG 50 Ca -0.00 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 2fn5 h ARG 50 Cb 0.66 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 2fn5 h ARG 50 CO 0.03 0.82 -0.49 0.22 0.56 0.00 0.00 179.97 181.11 2fn5 h ASP 51 N 0.66 -1.26 0.00 7.04 1.82 -0.31 -3.47 116.42 120.90 2fn5 h ASP 51 Ca 0.11 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2fn5 h ASP 51 Cb 0.58 0.38 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2fn5 h ASP 51 CO 0.04 -0.72 0.00 0.61 -1.61 0.00 0.00 179.24 177.55 2fn5 n GLY 52 N -1.60 3.04 0.11 -0.78 0.00 -1.15 -4.92 105.19 99.89 2fn5 n GLY 52 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2fn5 n GLY 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2fn5 h ARG 53 N 1.93 -0.17 -6.88 1.61 1.12 -1.90 -3.45 114.38 106.64 2fn5 h ARG 53 Ca 0.00 0.01 -0.52 0.00 -1.11 0.00 0.00 59.98 58.37 2fn5 h ARG 53 Cb 0.00 0.04 0.05 0.00 -0.01 0.00 0.00 29.97 30.05 2fn5 h ARG 53 CO 0.00 -0.12 0.58 -1.50 -3.11 0.00 0.00 179.97 175.82 2fn5 s ILE 54 N -2.11 2.95 0.28 1.20 2.07 -1.26 -5.02 121.20 119.31 2fn5 s ILE 54 Ca -0.03 0.93 0.02 0.00 -1.41 0.00 0.00 60.65 60.17 2fn5 s ILE 54 Cb 0.00 -3.58 -0.04 0.00 0.13 0.00 0.00 42.46 38.97 2fn5 s ILE 54 CO 0.08 0.20 0.16 -1.10 -1.91 0.00 0.00 174.94 172.37 2fn5 s GLN 55 N -1.81 1.49 -0.03 3.50 -1.52 -1.26 -4.71 119.66 115.32 2fn5 s GLN 55 Ca 0.50 -1.84 0.01 0.00 -1.95 0.00 0.00 55.36 52.08 2fn5 s GLN 55 Cb -0.37 0.02 0.07 0.00 -0.22 0.00 0.00 33.01 32.52 2fn5 s GLN 55 CO 0.48 -0.44 0.79 1.55 -0.25 0.00 0.00 175.29 177.42 2fn5 n VAL 56 N -0.49 0.60 -1.09 1.09 3.14 -1.26 -2.74 118.33 117.58 2fn5 n VAL 56 Ca 0.02 -0.14 0.01 0.00 -2.96 0.00 0.00 64.34 61.27 2fn5 n VAL 56 Cb 0.65 -0.66 0.01 0.00 -1.06 0.00 0.00 33.84 32.78 2fn5 n VAL 56 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2fn5 n ASN 57 N 0.17 0.55 -3.94 6.55 2.85 -1.26 -4.66 115.26 115.51 2fn5 n ASN 57 Ca 0.04 -1.61 -0.18 0.00 -0.11 0.00 0.00 54.58 52.72 2fn5 n ASN 57 Cb 0.44 -0.09 0.09 0.00 1.24 0.00 0.00 39.78 41.46 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2fn5 n ASP 58 N -0.21 1.03 -3.85 1.20 8.00 -1.11 -4.87 116.55 116.74 2fn5 n ASP 58 Ca 0.01 -1.87 -0.22 0.00 0.71 0.00 0.00 54.79 53.43 2fn5 n ASP 58 Cb 0.52 -0.49 -0.17 0.00 -0.02 0.00 0.00 41.12 40.96 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2fn5 s GLN 59 N -4.46 0.82 -0.35 -1.24 0.74 -1.26 -0.82 119.66 113.08 2fn5 s GLN 59 Ca 0.51 -0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.59 2fn5 s GLN 59 Cb -0.03 -0.96 0.01 0.00 1.10 0.00 0.00 33.01 33.13 2fn5 s GLN 59 CO 0.34 -0.18 1.22 0.42 -0.55 0.00 0.00 175.29 176.54 2fn5 s ILE 60 N 1.39 4.22 -0.26 -2.34 -1.09 -0.93 -3.99 121.20 118.20 2fn5 s ILE 60 Ca -0.03 1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 59.58 2fn5 s ILE 60 Cb -0.13 -4.32 -0.14 0.00 -1.58 0.00 0.00 42.46 36.28 2fn5 s ILE 60 CO -0.03 -0.62 -0.19 0.52 -1.23 0.00 0.00 174.94 173.40 2fn5 n VAL 61 N 6.35 1.54 -3.55 2.92 0.31 -0.61 -4.82 118.33 120.47 2fn5 n VAL 61 Ca 0.14 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 2fn5 n VAL 61 Cb 0.47 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 31.41 2fn5 n VAL 61 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2fn5 s GLU 62 N -2.47 0.26 -0.19 5.55 2.12 0.13 -2.54 118.70 121.56 2fn5 s GLU 62 Ca -0.36 0.69 -0.05 0.00 0.36 0.00 0.00 54.97 55.62 2fn5 s GLU 62 Cb 0.12 -0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 2fn5 s GLU 62 CO 0.53 -0.43 -0.01 0.08 -0.54 0.00 0.00 175.26 174.89 2fn5 s VAL 63 N 2.50 3.90 0.00 3.70 1.01 -1.26 0.42 120.40 130.66 2fn5 s VAL 63 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2fn5 s VAL 63 Cb -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2fn5 s VAL 63 CO -0.12 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 174.75 2fn5 n ASP 64 N 4.06 -0.73 0.00 3.32 2.03 0.01 -0.56 116.55 124.69 2fn5 n ASP 64 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2fn5 n ASP 64 Cb 0.52 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2fn5 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fn5 n GLY 65 N -1.84 0.87 0.15 0.27 0.00 -1.26 -4.94 105.19 98.44 2fn5 n GLY 65 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2fn5 n GLY 65 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fn5 h ILE 66 N 0.00 1.44 -5.21 -0.61 2.10 -1.16 -3.49 117.51 110.58 2fn5 h ILE 66 Ca 0.00 -2.33 0.00 0.00 1.08 0.00 0.00 64.86 63.61 2fn5 h ILE 66 Cb 0.00 2.26 -0.04 0.00 -1.09 0.00 0.00 36.82 37.94 2fn5 h ILE 66 CO 0.00 0.68 -1.16 -0.24 -1.08 0.00 0.00 178.15 176.35 2fn5 n SER 67 N -3.75 -5.50 -1.46 2.19 2.88 -1.26 -4.93 113.62 101.78 2fn5 n SER 67 Ca -0.03 1.34 0.05 0.00 -1.33 0.00 0.00 58.87 58.90 2fn5 n SER 67 Cb 0.72 -4.97 0.32 0.00 -0.75 0.00 0.00 64.21 59.53 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fn5 n LEU 68 N 1.13 4.96 -4.54 2.46 -0.00 -1.05 -4.94 117.00 115.02 2fn5 n LEU 68 Ca -0.14 -3.05 -0.29 0.00 -0.00 0.00 0.00 56.01 52.54 2fn5 n LEU 68 Cb 0.24 -0.64 -0.07 0.00 -0.00 0.00 0.00 43.42 42.96 2fn5 n LEU 68 CO 0.39 0.70 1.80 0.52 -0.00 0.00 0.00 177.39 180.81 2fn5 n VAL 69 N -0.04 -0.05 0.00 1.47 0.31 -1.20 -1.33 118.33 117.50 2fn5 n VAL 69 Ca 0.27 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2fn5 n VAL 69 Cb 1.10 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2fn5 n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fn5 n GLY 70 N 6.28 1.06 2.87 2.92 0.00 -1.26 -4.93 105.19 112.12 2fn5 n GLY 70 Ca 0.46 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 2fn5 n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fn5 n VAL 71 N -1.15 0.00 -2.90 1.61 0.24 -0.44 -4.94 118.33 110.74 2fn5 n VAL 71 Ca 0.00 -0.82 -0.19 0.00 -2.04 0.00 0.00 64.34 61.28 2fn5 n VAL 71 Cb 0.00 -1.50 0.04 0.00 -1.47 0.00 0.00 33.84 30.91 2fn5 n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2fn5 s THR 72 N -2.96 2.56 0.36 3.34 -4.23 -1.26 -4.81 115.64 108.64 2fn5 s THR 72 Ca 0.54 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 2fn5 s THR 72 Cb -0.02 -2.66 0.23 0.00 1.34 0.00 0.00 72.50 71.39 2fn5 s THR 72 CO 0.38 0.00 1.98 0.06 -0.54 0.00 0.00 174.62 176.50 2fn5 h GLN 73 N 0.25 0.65 -0.06 3.99 -0.00 -1.93 -1.30 115.11 116.71 2fn5 h GLN 73 Ca -0.37 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.08 2fn5 h GLN 73 Cb 1.28 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.62 2fn5 h GLN 73 CO 0.44 0.50 -0.56 -2.95 -0.00 0.00 0.00 178.83 176.26 2fn5 h ASN 74 N 0.66 0.21 -0.09 0.06 7.08 -1.97 0.50 115.58 122.02 2fn5 h ASN 74 Ca 0.17 -0.11 -0.05 0.00 -3.08 0.00 0.00 56.30 53.22 2fn5 h ASN 74 Cb 0.05 -0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 36.23 2fn5 h ASN 74 CO -0.02 0.73 -0.14 0.15 -2.08 0.00 0.00 177.43 176.07 2fn5 h PHE 75 N 0.15 0.32 -0.67 4.14 3.04 -1.80 -1.46 116.94 120.66 2fn5 h PHE 75 Ca -0.00 -0.11 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 2fn5 h PHE 75 Cb 1.04 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 2fn5 h PHE 75 CO 0.02 0.73 0.39 0.00 -2.02 0.00 0.00 178.31 177.43 2fn5 h ALA 76 N 0.54 0.85 -0.83 2.41 0.00 -1.02 0.23 119.26 121.44 2fn5 h ALA 76 Ca 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2fn5 h ALA 76 Cb 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2fn5 h ALA 76 CO 0.03 0.34 0.55 0.00 0.00 0.00 0.00 179.25 180.17 2fn5 h ALA 77 N 1.20 1.46 0.07 0.00 0.00 0.01 0.13 119.26 122.13 2fn5 h ALA 77 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2fn5 h ALA 77 Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2fn5 h ALA 77 CO -0.04 0.47 -0.03 1.15 0.00 0.00 0.00 179.25 180.80 2fn5 h THR 78 N 1.07 1.09 -0.37 0.00 2.02 -0.20 -0.66 112.91 115.85 2fn5 h THR 78 Ca 0.32 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2fn5 h THR 78 Cb -0.03 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2fn5 h THR 78 CO -0.09 0.14 0.13 1.62 0.37 0.00 0.00 175.52 177.70 2fn5 h VAL 79 N -0.35 1.20 0.00 3.16 3.04 -0.54 -0.15 116.25 122.61 2fn5 h VAL 79 Ca -0.01 -0.64 -0.04 0.00 -1.01 0.00 0.00 66.70 64.99 2fn5 h VAL 79 Cb 0.31 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 2fn5 h VAL 79 CO 0.02 0.23 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.53 2fn5 h LEU 80 N 0.46 0.00 0.00 3.16 -0.00 -0.75 -2.06 115.31 116.11 2fn5 h LEU 80 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.91 2fn5 h LEU 80 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2fn5 h LEU 80 CO -0.01 0.20 -0.92 -0.09 -0.00 0.00 0.00 178.44 177.62 2fn5 h ARG 81 N 0.00 0.00 -0.13 1.13 1.12 -0.88 -3.31 114.38 112.31 2fn5 h ARG 81 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2fn5 h ARG 81 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2fn5 h ARG 81 CO 0.03 0.24 0.00 0.09 -3.11 0.00 0.00 179.97 177.22 2fn5 n ASN 82 N -2.95 1.14 -3.80 -3.80 3.02 -0.09 -4.90 115.26 103.90 2fn5 n ASN 82 Ca -0.03 -1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 52.54 2fn5 n ASN 82 Cb 0.71 -0.09 0.24 0.00 -0.61 0.00 0.00 39.78 40.03 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2fn5 s THR 83 N -1.83 1.60 0.00 3.41 -4.23 -1.10 -5.06 115.64 108.44 2fn5 s THR 83 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2fn5 s THR 83 Cb 0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2fn5 s THR 83 CO 0.22 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.59 2fn5 n LYS 84 N -4.75 0.00 0.00 3.99 -0.00 -1.26 -4.90 118.16 111.24 2fn5 n LYS 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2fn5 n LYS 84 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fn5 n GLY 85 N 0.00 -2.89 3.61 2.58 0.00 -1.26 -4.51 105.19 102.72 2fn5 n GLY 85 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2fn5 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fn5 s ASN 86 N -2.19 6.66 -0.06 1.61 -0.87 -1.25 -0.08 114.94 118.76 2fn5 s ASN 86 Ca 0.00 0.75 0.01 0.00 -1.57 0.00 0.00 52.86 52.05 2fn5 s ASN 86 Cb 0.00 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.70 2fn5 s ASN 86 CO 0.00 -1.17 -0.07 -0.69 -2.57 0.00 0.00 177.10 172.60 2fn5 s VAL 87 N 4.41 0.74 -0.47 1.60 1.01 0.72 -4.96 120.40 123.44 2fn5 s VAL 87 Ca 0.50 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 2fn5 s VAL 87 Cb -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2fn5 s VAL 87 CO 0.27 0.28 0.72 -0.13 0.00 0.00 0.00 175.10 176.24 2fn5 s ARG 88 N 1.00 3.28 -0.63 2.72 3.00 -1.26 0.32 118.95 127.38 2fn5 s ARG 88 Ca -0.09 -0.40 -0.19 0.00 0.00 0.00 0.00 55.73 55.04 2fn5 s ARG 88 Cb -0.14 -4.00 0.11 0.00 0.00 0.00 0.00 34.95 30.92 2fn5 s ARG 88 CO -0.00 -1.16 0.77 -0.06 0.00 0.00 0.00 175.30 174.86 2fn5 s PHE 89 N 3.07 2.99 -0.80 -0.53 0.40 0.13 -0.81 117.98 122.43 2fn5 s PHE 89 Ca 0.24 -0.97 -0.23 0.00 -0.60 0.00 0.00 56.93 55.36 2fn5 s PHE 89 Cb -0.14 -4.07 0.07 0.00 0.51 0.00 0.00 43.02 39.38 2fn5 s PHE 89 CO 0.18 -1.35 1.17 0.08 0.70 0.00 0.00 175.22 176.01 2fn5 s VAL 90 N 2.79 4.15 0.17 -0.44 1.01 0.17 0.38 120.40 128.61 2fn5 s VAL 90 Ca 0.15 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.78 2fn5 s VAL 90 Cb -0.21 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 2fn5 s VAL 90 CO 0.05 -1.67 -0.06 -0.63 0.00 0.00 0.00 175.10 172.79 2fn5 s ILE 91 N 4.47 3.41 0.18 2.22 1.01 -0.40 -0.69 121.20 131.40 2fn5 s ILE 91 Ca 0.32 -1.51 0.11 0.00 0.00 0.00 0.00 60.65 59.57 2fn5 s ILE 91 Cb -0.09 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2fn5 s ILE 91 CO 0.04 -0.07 -0.24 -0.83 0.00 0.00 0.00 174.94 173.84 2fn5 s GLY 92 N -2.77 1.69 0.06 6.18 0.00 -1.26 -0.06 107.32 111.17 2fn5 s GLY 92 Ca 0.25 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.38 2fn5 s GLY 92 CO 0.16 -1.63 -0.08 -1.60 0.00 0.00 0.00 173.10 169.95 2fn5 s ARG 93 N -2.60 0.64 0.00 2.90 3.00 -0.40 -4.54 118.95 117.96 2fn5 s ARG 93 Ca 0.20 -0.92 0.06 0.00 -1.00 0.00 0.00 55.73 54.07 2fn5 s ARG 93 Cb -0.08 -0.35 0.38 0.00 0.00 0.00 0.00 34.95 34.90 2fn5 s ARG 93 CO 0.10 0.05 0.85 -0.85 0.00 0.00 0.00 175.30 175.45