#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 -0.20 -0.47 1.61 0.00 -1.26 -5.10 115.29 109.87 2fn5 s HIS 2 Ca 0.00 0.47 -0.29 0.00 -3.00 0.00 0.00 55.06 52.24 2fn5 s HIS 2 Cb 0.00 0.06 0.02 0.00 -4.00 0.00 0.00 32.58 28.67 2fn5 s HIS 2 CO 0.00 -0.16 1.26 1.41 -1.00 0.00 0.00 174.74 176.25 2fn5 s MET 3 N -0.19 3.63 -0.36 -0.38 1.75 -1.26 -3.98 119.30 118.50 2fn5 s MET 3 Ca -0.03 0.66 -0.23 0.00 -1.25 0.00 0.00 55.69 54.85 2fn5 s MET 3 Cb -0.03 -3.97 0.01 0.00 2.84 0.00 0.00 34.83 33.68 2fn5 s MET 3 CO 0.01 -1.51 0.76 -2.00 -0.65 0.00 0.00 175.02 171.63 2fn5 s GLU 4 N 4.74 3.74 -0.47 4.11 2.12 0.34 -4.80 118.70 128.47 2fn5 s GLU 4 Ca 0.53 0.28 -0.21 0.00 0.36 0.00 0.00 54.97 55.92 2fn5 s GLU 4 Cb -0.10 -3.81 0.03 0.00 0.26 0.00 0.00 34.13 30.52 2fn5 s GLU 4 CO 0.31 -0.83 0.71 -0.51 -0.54 0.00 0.00 175.26 174.41 2fn5 s LEU 5 N 3.04 4.49 -0.01 2.70 2.01 -1.26 -0.73 118.68 128.92 2fn5 s LEU 5 Ca 0.30 -0.42 0.07 0.00 0.01 0.00 0.00 54.13 54.09 2fn5 s LEU 5 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 46.19 43.32 2fn5 s LEU 5 CO 0.16 -0.90 -0.22 0.72 1.01 0.00 0.00 176.35 177.12 2fn5 s PHE 6 N 3.05 1.97 -0.04 0.29 -0.12 0.17 -4.94 117.98 118.37 2fn5 s PHE 6 Ca 0.24 -0.37 -0.23 0.00 -0.05 0.00 0.00 56.93 56.51 2fn5 s PHE 6 Cb -0.15 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.95 2fn5 s PHE 6 CO 0.18 -0.01 0.69 -1.25 -0.05 0.00 0.00 175.22 174.78 2fn5 s PRO 7 N -0.62 4.43 -0.28 1.99 0.04 -1.26 -0.90 135.00 138.40 2fn5 s PRO 7 Ca 0.08 0.88 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2fn5 s PRO 7 Cb -0.09 -3.41 0.08 0.00 0.04 0.00 0.00 34.50 31.12 2fn5 s PRO 7 CO -0.00 0.16 -0.01 0.08 0.04 0.00 0.00 177.00 177.27 2fn5 s VAL 8 N 0.46 1.72 -0.56 -0.36 1.01 0.16 -4.95 120.40 117.88 2fn5 s VAL 8 Ca 0.36 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 2fn5 s VAL 8 Cb -0.18 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.18 2fn5 s VAL 8 CO 0.19 -0.31 0.78 -0.70 0.00 0.00 0.00 175.10 175.05 2fn5 s GLU 9 N 1.26 3.15 0.09 2.72 2.12 -1.24 -0.09 118.70 126.71 2fn5 s GLU 9 Ca 0.01 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2fn5 s GLU 9 Cb -0.19 -4.15 -0.06 0.00 0.26 0.00 0.00 34.13 29.99 2fn5 s GLU 9 CO -0.09 -1.47 0.48 -1.17 -0.54 0.00 0.00 175.26 172.47 2fn5 s LEU 10 N 3.23 4.38 -0.69 2.70 1.98 0.92 -4.85 118.68 126.35 2fn5 s LEU 10 Ca 0.19 0.99 -0.03 0.00 -2.89 0.00 0.00 54.13 52.40 2fn5 s LEU 10 Cb -0.18 -3.03 0.18 0.00 0.66 0.00 0.00 46.19 43.81 2fn5 s LEU 10 CO 0.12 0.18 0.52 -0.70 -1.89 0.00 0.00 176.35 174.58 2fn5 s GLU 11 N -1.72 2.74 0.81 1.98 2.12 -1.25 -0.56 118.70 122.81 2fn5 s GLU 11 Ca 0.33 -2.72 -0.09 0.00 0.36 0.00 0.00 54.97 52.85 2fn5 s GLU 11 Cb -0.15 -3.79 0.18 0.00 0.26 0.00 0.00 34.13 30.63 2fn5 s GLU 11 CO 0.18 -1.20 1.10 1.63 -0.54 0.00 0.00 175.26 176.43 2fn5 n LYS 12 N 3.19 -0.75 -1.07 4.30 4.76 0.16 -4.82 118.16 123.92 2fn5 n LYS 12 Ca 0.11 -2.13 -0.20 0.00 -2.87 0.00 0.00 58.31 53.22 2fn5 n LYS 12 Cb 0.38 -1.00 0.15 0.00 -1.84 0.00 0.00 35.03 32.72 2fn5 n LYS 12 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2fn5 n ASP 13 N -3.45 -0.63 0.19 4.39 2.03 -1.25 -4.45 116.55 113.39 2fn5 n ASP 13 Ca 0.15 -1.18 0.12 0.00 0.52 0.00 0.00 54.79 54.40 2fn5 n ASP 13 Cb 0.53 -0.69 0.14 0.00 -0.72 0.00 0.00 41.12 40.38 2fn5 n ASP 13 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2fn5 h GLU 14 N 0.00 0.00 -0.11 -0.67 4.11 -1.98 -3.02 114.58 112.91 2fn5 h GLU 14 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 2fn5 h GLU 14 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2fn5 h GLU 14 CO 0.20 0.00 -0.08 0.22 0.07 0.00 0.00 179.01 179.41 2fn5 h ASP 15 N 0.00 0.26 0.00 3.06 1.82 -1.98 -3.47 116.42 116.11 2fn5 h ASP 15 Ca 0.00 -0.46 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2fn5 h ASP 15 Cb 0.99 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.93 2fn5 h ASP 15 CO 0.00 0.66 0.00 0.61 -1.61 0.00 0.00 179.24 178.90 2fn5 n GLY 16 N 0.13 0.53 0.29 -0.78 0.00 -1.14 -4.91 105.19 99.31 2fn5 n GLY 16 Ca -0.07 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2fn5 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fn5 n LEU 17 N 0.00 1.66 -1.14 0.99 4.77 -1.26 -3.75 117.00 118.26 2fn5 n LEU 17 Ca 0.00 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2fn5 n LEU 17 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2fn5 n LEU 17 CO 0.00 0.49 -0.07 0.61 -1.33 0.00 0.00 177.39 177.09 2fn5 n GLY 18 N 1.63 0.07 3.77 -0.72 0.00 -1.26 -4.29 105.19 104.39 2fn5 n GLY 18 Ca -0.44 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.57 2.73 0.10 -0.61 -4.36 -1.26 -2.37 121.20 112.86 2fn5 s ILE 19 Ca 0.05 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 58.88 2fn5 s ILE 19 Cb -0.02 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2fn5 s ILE 19 CO 0.06 -0.08 -0.12 -0.44 0.24 0.00 0.00 174.94 174.60 2fn5 s SER 20 N -3.94 1.67 0.38 4.36 0.01 0.76 -4.95 113.70 111.99 2fn5 s SER 20 Ca 0.41 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.95 2fn5 s SER 20 Cb -0.01 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 2fn5 s SER 20 CO 0.24 -0.20 0.03 0.27 0.41 0.00 0.00 173.24 173.99 2fn5 s ILE 21 N -2.18 1.66 -0.03 1.44 -5.25 -1.26 -0.01 121.20 115.57 2fn5 s ILE 21 Ca 0.06 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.72 2fn5 s ILE 21 Cb -0.05 -2.91 0.02 0.00 2.95 0.00 0.00 42.46 42.47 2fn5 s ILE 21 CO 0.01 0.00 -0.02 -0.51 -1.79 0.00 0.00 174.94 172.63 2fn5 s ILE 22 N -2.95 0.33 -0.52 8.37 2.07 0.73 -4.37 121.20 124.87 2fn5 s ILE 22 Ca 0.36 -0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 59.38 2fn5 s ILE 22 Cb 0.09 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.38 2fn5 s ILE 22 CO 0.17 0.17 0.59 -0.83 -1.91 0.00 0.00 174.94 173.13 2fn5 s GLY 23 N 0.80 1.84 -0.30 1.50 0.00 -1.26 -1.37 107.32 108.52 2fn5 s GLY 23 Ca -0.09 -1.93 -0.00 0.00 0.00 0.00 0.00 44.72 42.69 2fn5 s GLY 23 CO -0.01 1.40 0.27 -3.16 0.00 0.00 0.00 173.10 171.61 2fn5 s MET 24 N 2.41 0.36 -0.33 2.90 0.00 0.64 -4.89 119.30 120.39 2fn5 s MET 24 Ca 0.12 -0.37 -0.36 0.00 0.00 0.00 0.00 55.69 55.09 2fn5 s MET 24 Cb -0.21 -0.78 -0.12 0.00 0.00 0.00 0.00 34.83 33.72 2fn5 s MET 24 CO 0.10 -1.06 2.14 0.41 0.00 0.00 0.00 175.02 176.60 2fn5 n GLY 25 N 5.09 0.56 3.64 3.16 0.00 -1.26 -4.13 105.19 112.25 2fn5 n GLY 25 Ca -0.00 0.93 -0.43 0.00 0.00 0.00 0.00 46.02 46.52 2fn5 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fn5 s VAL 26 N 6.80 4.18 -1.33 1.61 0.11 -1.26 -4.91 120.40 125.61 2fn5 s VAL 26 Ca 1.08 1.36 -0.17 0.00 -2.93 0.00 0.00 61.98 61.32 2fn5 s VAL 26 Cb -0.88 -4.10 0.03 0.00 -1.53 0.00 0.00 36.38 29.90 2fn5 s VAL 26 CO 0.51 -0.37 1.97 0.61 -3.33 0.00 0.00 175.10 174.49 2fn5 n GLY 27 N 4.11 3.27 0.34 6.54 0.00 -1.26 -4.45 105.19 113.74 2fn5 n GLY 27 Ca 0.15 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.91 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 h ALA 28 N 7.05 1.18 0.00 4.61 0.00 -1.93 -3.45 119.26 126.72 2fn5 h ALA 28 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2fn5 h ALA 28 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2fn5 h ALA 28 CO 1.66 -0.10 0.00 -3.47 0.00 0.00 0.00 179.25 177.34 2fn5 n ASP 29 N -3.14 0.00 0.07 0.00 -0.08 -1.26 -4.65 116.55 107.49 2fn5 n ASP 29 Ca -0.02 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.30 2fn5 n ASP 29 Cb 0.17 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.08 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fn5 h ALA 30 N 0.00 1.72 0.00 -1.67 0.00 -1.99 -3.47 119.26 113.86 2fn5 h ALA 30 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fn5 h ALA 30 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2fn5 h ALA 30 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2fn5 n GLY 31 N -1.38 0.82 0.22 0.00 0.00 -1.26 -4.97 105.19 98.63 2fn5 n GLY 31 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.42 -2.32 0.99 4.07 -1.94 -3.49 115.31 112.20 2fn5 h LEU 32 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2fn5 h LEU 32 Cb 0.00 0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2fn5 h LEU 32 CO 0.00 -0.03 -0.29 -0.62 -1.08 0.00 0.00 178.44 176.42 2fn5 n GLU 33 N -4.85 -1.94 -0.13 1.13 1.02 -1.26 -5.02 120.64 109.59 2fn5 n GLU 33 Ca -0.06 1.86 -0.03 0.00 -0.02 0.00 0.00 57.16 58.91 2fn5 n GLU 33 Cb 0.20 -5.72 0.03 0.00 -0.02 0.00 0.00 31.44 25.93 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2fn5 n LYS 34 N -0.92 -1.00 -1.57 3.49 2.85 -1.26 -4.91 118.16 114.83 2fn5 n LYS 34 Ca 0.07 -0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 56.72 2fn5 n LYS 34 Cb 0.48 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 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 1.91 -1.62 -5.58 -0.00 -1.26 -4.21 117.00 106.24 2fn5 n LEU 35 Ca 0.02 1.04 -0.15 0.00 -0.00 0.00 0.00 56.01 56.92 2fn5 n LEU 35 Cb 0.06 -1.29 0.16 0.00 -0.00 0.00 0.00 43.42 42.35 2fn5 n LEU 35 CO 0.04 -1.75 0.83 0.61 -0.00 0.00 0.00 177.39 177.13 2fn5 n GLY 36 N 1.31 5.16 3.40 1.47 0.00 -1.26 -4.55 105.19 110.73 2fn5 n GLY 36 Ca 0.10 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.65 4.70 0.41 -0.61 -1.09 -1.25 -0.26 121.20 119.46 2fn5 s ILE 37 Ca 0.50 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 2fn5 s ILE 37 Cb 0.44 -4.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2fn5 s ILE 37 CO 0.02 -1.19 0.59 -0.36 -1.23 0.00 0.00 174.94 172.77 2fn5 s PHE 38 N 3.02 3.05 0.02 3.97 0.08 -0.47 -2.10 117.98 125.55 2fn5 s PHE 38 Ca 0.14 -0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 2fn5 s PHE 38 Cb -0.22 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2fn5 s PHE 38 CO 0.08 -0.31 0.93 0.08 -0.10 0.00 0.00 175.22 175.90 2fn5 s VAL 39 N -2.39 4.79 -0.23 -0.44 1.01 -0.08 -0.19 120.40 122.87 2fn5 s VAL 39 Ca 0.50 1.97 -0.18 0.00 0.00 0.00 0.00 61.98 64.27 2fn5 s VAL 39 Cb -0.10 -4.28 -0.17 0.00 0.00 0.00 0.00 36.38 31.83 2fn5 s VAL 39 CO 0.34 0.22 0.03 1.17 0.00 0.00 0.00 175.10 176.86 2fn5 n LYS 40 N 3.56 0.58 -3.76 2.72 3.00 0.98 -4.61 118.16 120.63 2fn5 n LYS 40 Ca 0.04 0.46 -0.10 0.00 -0.00 0.00 0.00 58.31 58.72 2fn5 n LYS 40 Cb 0.51 -1.66 -0.06 0.00 0.00 0.00 0.00 35.03 33.82 2fn5 n LYS 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2fn5 s THR 41 N -2.42 0.09 0.14 3.15 2.01 -0.82 -4.95 115.64 112.84 2fn5 s THR 41 Ca -0.32 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 60.81 2fn5 s THR 41 Cb 0.09 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2fn5 s THR 41 CO 0.56 -0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.30 2fn5 s VAL 42 N -3.85 1.04 0.80 3.82 1.01 -1.26 -0.17 120.40 121.79 2fn5 s VAL 42 Ca 0.06 -2.03 -0.14 0.00 0.00 0.00 0.00 61.98 59.87 2fn5 s VAL 42 Cb 0.03 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.64 2fn5 s VAL 42 CO -0.09 -0.75 1.16 1.07 0.00 0.00 0.00 175.10 176.48 2fn5 n THR 43 N -0.17 2.12 -0.31 3.92 5.66 -1.00 -4.85 114.28 119.65 2fn5 n THR 43 Ca -0.10 -0.23 0.32 0.00 -3.05 0.00 0.00 64.05 60.99 2fn5 n THR 43 Cb 0.61 -1.18 0.70 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.83 0.08 0.00 1.09 4.11 -1.94 -3.42 114.58 113.67 2fn5 h GLU 44 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2fn5 h GLU 44 Cb 1.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2fn5 h GLU 44 CO 0.46 0.05 0.00 0.41 0.07 0.00 0.00 179.01 180.00 2fn5 n GLY 45 N -1.70 -1.79 7.00 1.06 0.00 -1.26 -4.87 105.19 103.63 2fn5 n GLY 45 Ca 0.25 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.43 1.92 0.00 -0.02 0.00 -1.26 -0.63 105.19 103.77 2fn5 n GLY 46 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2fn5 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 n ALA 47 N 8.82 1.47 -0.09 4.61 0.00 -1.26 -4.50 120.51 129.56 2fn5 n ALA 47 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 2fn5 n ALA 47 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2fn5 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fn5 n ALA 48 N -0.21 0.80 0.76 0.00 0.00 0.19 -2.08 120.51 119.98 2fn5 n ALA 48 Ca 0.00 -0.71 0.13 0.00 0.00 0.00 0.00 53.44 52.86 2fn5 n ALA 48 Cb 0.32 -0.02 0.46 0.00 0.00 0.00 0.00 19.45 20.20 2fn5 n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fn5 n GLN 49 N -4.47 0.17 0.00 0.00 6.02 0.15 -1.76 117.38 117.49 2fn5 n GLN 49 Ca -0.21 0.13 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 2fn5 n GLN 49 Cb 0.53 -1.68 0.17 0.00 1.02 0.00 0.00 30.24 30.28 2fn5 n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2fn5 n ARG 50 N -1.97 0.03 0.12 -1.09 5.12 -1.14 -4.23 116.66 113.50 2fn5 n ARG 50 Ca 0.06 -0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.91 2fn5 n ARG 50 Cb 0.40 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.17 2fn5 n ARG 50 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2fn5 h ASP 51 N 0.05 -0.29 0.00 0.55 1.82 -0.77 -3.48 116.42 114.30 2fn5 h ASP 51 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2fn5 h ASP 51 Cb 0.50 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2fn5 h ASP 51 CO 0.00 -0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.17 2fn5 n GLY 52 N 0.35 1.65 0.11 -0.78 0.00 -1.19 -4.93 105.19 100.40 2fn5 n GLY 52 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 0.29 0.32 -6.30 1.61 1.12 -1.95 -3.45 114.38 106.03 2fn5 h ARG 53 Ca 0.00 -0.55 -0.56 0.00 -1.11 0.00 0.00 59.98 57.76 2fn5 h ARG 53 Cb 0.00 0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 2fn5 h ARG 53 CO 0.00 1.25 -0.20 -1.50 -3.11 0.00 0.00 179.97 176.41 2fn5 s ILE 54 N -2.64 5.04 0.26 1.20 2.07 -1.26 -5.10 121.20 120.77 2fn5 s ILE 54 Ca -0.05 0.30 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2fn5 s ILE 54 Cb 0.06 -3.62 -0.05 0.00 0.13 0.00 0.00 42.46 38.98 2fn5 s ILE 54 CO 0.89 0.01 0.03 -1.10 -1.91 0.00 0.00 174.94 172.86 2fn5 s GLN 55 N -2.67 1.43 0.00 3.50 -0.21 -1.26 -4.79 119.66 115.67 2fn5 s GLN 55 Ca 0.44 -1.75 0.28 0.00 0.02 0.00 0.00 55.36 54.34 2fn5 s GLN 55 Cb -0.12 -0.63 1.10 0.00 1.00 0.00 0.00 33.01 34.36 2fn5 s GLN 55 CO 0.22 -0.15 1.81 1.55 -2.12 0.00 0.00 175.29 176.61 2fn5 n VAL 56 N -0.50 0.00 -0.44 1.09 3.14 -1.26 -3.35 118.33 117.01 2fn5 n VAL 56 Ca -0.03 -0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.42 2fn5 n VAL 56 Cb 0.65 -0.27 0.25 0.00 -1.06 0.00 0.00 33.84 33.41 2fn5 n VAL 56 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2fn5 n ASN 57 N -1.40 3.71 -3.13 6.55 0.23 -1.26 -4.26 115.26 115.71 2fn5 n ASN 57 Ca 0.08 -2.26 -0.11 0.00 -0.53 0.00 0.00 54.58 51.77 2fn5 n ASN 57 Cb 0.32 -0.41 0.06 0.00 -2.08 0.00 0.00 39.78 37.67 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2fn5 n ASP 58 N 0.72 0.56 -3.84 0.53 8.00 -1.21 -4.86 116.55 116.45 2fn5 n ASP 58 Ca 0.19 -1.49 -0.21 0.00 0.71 0.00 0.00 54.79 53.99 2fn5 n ASP 58 Cb 0.64 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 -3.68 0.70 -0.28 -1.24 0.74 -1.26 -0.90 119.66 113.73 2fn5 s GLN 59 Ca 0.30 -0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.41 2fn5 s GLN 59 Cb -0.02 -0.85 -0.01 0.00 1.10 0.00 0.00 33.01 33.23 2fn5 s GLN 59 CO 0.20 -0.17 1.42 0.42 -0.55 0.00 0.00 175.29 176.62 2fn5 s ILE 60 N 1.31 3.97 -0.23 -2.34 -1.09 -0.89 -3.88 121.20 118.04 2fn5 s ILE 60 Ca -0.05 1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 59.26 2fn5 s ILE 60 Cb -0.13 -4.01 -0.17 0.00 -1.58 0.00 0.00 42.46 36.57 2fn5 s ILE 60 CO -0.02 -0.44 0.02 0.52 -1.23 0.00 0.00 174.94 173.79 2fn5 n VAL 61 N 6.37 1.53 -3.68 2.92 0.31 -1.04 -4.79 118.33 119.95 2fn5 n VAL 61 Ca 0.16 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2fn5 n VAL 61 Cb 0.46 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.41 0.35 -0.10 5.55 2.12 0.59 -3.47 118.70 121.32 2fn5 s GLU 62 Ca -0.32 0.85 0.03 0.00 0.36 0.00 0.00 54.97 55.88 2fn5 s GLU 62 Cb 0.09 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 2fn5 s GLU 62 CO 0.56 -0.19 -0.21 0.08 -0.54 0.00 0.00 175.26 174.96 2fn5 s VAL 63 N 1.78 2.32 -1.30 3.70 1.01 -1.26 0.71 120.40 127.37 2fn5 s VAL 63 Ca -0.07 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2fn5 s VAL 63 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2fn5 s VAL 63 CO -0.12 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 174.86 2fn5 n ASP 64 N 3.45 -5.32 -0.01 3.32 2.03 -0.74 -0.67 116.55 118.61 2fn5 n ASP 64 Ca -0.19 0.30 -0.00 0.00 0.52 0.00 0.00 54.79 55.43 2fn5 n ASP 64 Cb 0.53 -3.90 -0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 -0.35 0.43 0.15 0.27 0.00 -1.26 -4.93 105.19 99.51 2fn5 n GLY 65 Ca -0.12 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -6.41 -0.61 2.10 -1.24 -3.48 117.51 107.87 2fn5 h ILE 66 Ca -0.00 -0.68 -0.35 0.00 1.08 0.00 0.00 64.86 64.91 2fn5 h ILE 66 Cb 0.01 1.68 0.02 0.00 -1.09 0.00 0.00 36.82 37.43 2fn5 h ILE 66 CO 0.00 0.00 -1.17 -1.54 -1.08 0.00 0.00 178.15 174.36 2fn5 n SER 67 N -2.59 -5.38 -1.93 2.19 3.41 -1.26 -4.87 113.62 103.19 2fn5 n SER 67 Ca 0.05 -0.11 -0.19 0.00 -0.26 0.00 0.00 58.87 58.36 2fn5 n SER 67 Cb 0.47 -1.54 0.07 0.00 -0.26 0.00 0.00 64.21 62.95 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fn5 n LEU 68 N -0.03 6.32 -4.56 1.04 -0.00 -1.23 -4.90 117.00 113.63 2fn5 n LEU 68 Ca -0.08 -3.31 -0.29 0.00 -0.00 0.00 0.00 56.01 52.32 2fn5 n LEU 68 Cb 0.65 -0.93 -0.05 0.00 -0.00 0.00 0.00 43.42 43.09 2fn5 n LEU 68 CO 0.49 1.14 1.38 -0.69 -0.00 0.00 0.00 177.39 179.72 2fn5 s VAL 69 N -2.65 3.48 0.00 1.47 1.01 -1.26 -2.44 120.40 120.01 2fn5 s VAL 69 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2fn5 s VAL 69 Cb 0.31 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2fn5 s VAL 69 CO 0.02 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.70 2fn5 n GLY 70 N 6.69 1.68 3.97 4.51 0.00 -1.26 -4.81 105.19 115.97 2fn5 n GLY 70 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 2fn5 n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fn5 s VAL 71 N -2.00 2.21 0.69 1.61 -7.23 -1.02 -5.00 120.40 109.65 2fn5 s VAL 71 Ca 0.00 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2fn5 s VAL 71 Cb 0.00 -2.40 0.11 0.00 0.56 0.00 0.00 36.38 34.64 2fn5 s VAL 71 CO 0.00 0.00 0.95 0.42 -0.31 0.00 0.00 175.10 176.16 2fn5 s THR 72 N -2.62 2.24 0.28 5.32 -4.23 -1.26 -4.72 115.64 110.64 2fn5 s THR 72 Ca 0.51 -0.59 0.24 0.00 -1.18 0.00 0.00 61.69 60.66 2fn5 s THR 72 Cb -0.05 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.38 2fn5 s THR 72 CO 0.31 0.00 1.92 0.06 -0.54 0.00 0.00 174.62 176.37 2fn5 h GLN 73 N -0.42 0.00 -0.12 3.99 -0.00 -1.92 -1.52 115.11 115.12 2fn5 h GLN 73 Ca -0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.26 2fn5 h GLN 73 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2fn5 h GLN 73 CO 0.43 0.22 0.02 -0.91 -0.00 0.00 0.00 178.83 178.59 2fn5 h ASN 74 N 0.00 0.20 0.15 0.06 2.35 -1.98 0.22 115.58 116.57 2fn5 h ASN 74 Ca -0.00 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 2fn5 h ASN 74 Cb 0.58 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2fn5 h ASN 74 CO 0.03 0.42 -0.07 0.15 -1.65 0.00 0.00 177.43 176.30 2fn5 h PHE 75 N -0.02 -0.18 -0.48 1.19 3.04 -1.87 -2.14 116.94 116.47 2fn5 h PHE 75 Ca 0.04 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2fn5 h PHE 75 Cb 0.30 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2fn5 h PHE 75 CO 0.02 0.07 0.29 0.00 -2.02 0.00 0.00 178.31 176.67 2fn5 h ALA 76 N 0.40 0.61 -0.40 2.41 0.00 -1.20 -0.95 119.26 120.13 2fn5 h ALA 76 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2fn5 h ALA 76 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fn5 h ALA 76 CO 0.03 0.10 0.24 0.00 0.00 0.00 0.00 179.25 179.62 2fn5 h ALA 77 N 1.14 1.67 -0.32 0.00 0.00 -0.54 -0.56 119.26 120.65 2fn5 h ALA 77 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2fn5 h ALA 77 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2fn5 h ALA 77 CO -0.03 0.29 0.02 1.15 0.00 0.00 0.00 179.25 180.68 2fn5 h THR 78 N 0.55 1.25 0.23 0.00 2.02 -0.64 -2.15 112.91 114.17 2fn5 h THR 78 Ca 0.14 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2fn5 h THR 78 Cb -0.02 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2fn5 h THR 78 CO -0.03 0.29 -0.11 0.58 0.37 0.00 0.00 175.52 176.62 2fn5 h VAL 79 N 0.36 0.79 0.00 3.16 2.07 0.11 0.11 116.25 122.84 2fn5 h VAL 79 Ca 0.09 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2fn5 h VAL 79 Cb 0.40 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2fn5 h VAL 79 CO 0.01 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.80 2fn5 n LEU 80 N -5.21 0.00 -0.12 2.57 7.99 -0.35 -1.46 117.00 120.42 2fn5 n LEU 80 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.74 2fn5 n LEU 80 Cb 0.16 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.34 2fn5 n LEU 80 CO 0.35 0.00 -1.31 -1.14 -1.51 0.00 0.00 177.39 173.78 2fn5 n ARG 81 N -1.00 0.66 0.01 3.23 0.63 -0.73 -4.46 116.66 115.00 2fn5 n ARG 81 Ca 0.13 0.12 0.11 0.00 -0.92 0.00 0.00 57.85 57.28 2fn5 n ARG 81 Cb 0.06 -1.52 0.47 0.00 0.45 0.00 0.00 32.46 31.92 2fn5 n ARG 81 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fn5 n ASN 82 N -3.16 0.04 -4.78 6.15 5.03 0.31 -4.84 115.26 114.02 2fn5 n ASN 82 Ca -0.43 0.51 -0.31 0.00 0.87 0.00 0.00 54.58 55.22 2fn5 n ASN 82 Cb 1.02 -0.52 0.09 0.00 -1.02 0.00 0.00 39.78 39.35 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2fn5 s THR 83 N -3.01 3.38 0.00 3.41 -4.23 -1.04 -5.08 115.64 109.06 2fn5 s THR 83 Ca 0.10 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2fn5 s THR 83 Cb 0.14 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2fn5 s THR 83 CO 0.41 -0.58 0.00 0.29 -0.54 0.00 0.00 174.62 174.19 2fn5 n LYS 84 N -3.47 3.70 0.28 3.99 4.76 -1.26 -4.80 118.16 121.35 2fn5 n LYS 84 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 2fn5 n LYS 84 Cb 0.54 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.66 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2fn5 h GLY 85 N 0.00 -1.01 -6.87 0.72 0.00 -1.78 -3.40 103.07 90.74 2fn5 h GLY 85 Ca 0.00 0.42 -0.58 0.00 0.00 0.00 0.00 47.33 47.17 2fn5 h GLY 85 CO 0.00 -0.34 0.80 -1.31 0.00 0.00 0.00 176.54 175.69 2fn5 s ASN 86 N -3.47 6.53 -0.05 0.19 -0.87 -1.25 0.37 114.94 116.40 2fn5 s ASN 86 Ca -0.13 0.21 0.06 0.00 -1.57 0.00 0.00 52.86 51.44 2fn5 s ASN 86 Cb 0.02 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.73 2fn5 s ASN 86 CO 0.40 -1.24 -0.25 -0.69 -2.57 0.00 0.00 177.10 172.75 2fn5 s VAL 87 N 4.30 2.10 -0.59 1.60 1.01 0.27 -4.92 120.40 124.18 2fn5 s VAL 87 Ca 0.42 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2fn5 s VAL 87 Cb -0.09 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.69 2fn5 s VAL 87 CO 0.28 0.57 0.51 -0.13 0.00 0.00 0.00 175.10 176.33 2fn5 s ARG 88 N -0.30 2.95 -0.52 2.72 0.52 -1.26 -0.06 118.95 123.01 2fn5 s ARG 88 Ca 0.01 -1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 53.06 2fn5 s ARG 88 Cb -0.13 -4.19 0.05 0.00 0.52 0.00 0.00 34.95 31.20 2fn5 s ARG 88 CO 0.02 -1.28 0.81 -0.06 0.02 0.00 0.00 175.30 174.82 2fn5 s PHE 89 N 1.14 2.90 -0.91 -0.53 0.08 0.87 -1.79 117.98 119.75 2fn5 s PHE 89 Ca 0.08 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.79 2fn5 s PHE 89 Cb -0.24 -3.83 0.19 0.00 -0.57 0.00 0.00 43.02 38.56 2fn5 s PHE 89 CO -0.01 -1.20 0.96 0.08 -0.10 0.00 0.00 175.22 174.95 2fn5 s VAL 90 N 3.41 5.29 0.06 -0.44 1.01 0.22 0.36 120.40 130.31 2fn5 s VAL 90 Ca 0.25 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2fn5 s VAL 90 Cb -0.15 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2fn5 s VAL 90 CO 0.17 -1.25 0.18 -0.63 0.00 0.00 0.00 175.10 173.58 2fn5 s ILE 91 N 1.04 5.22 -0.03 2.22 1.01 -0.08 -0.30 121.20 130.28 2fn5 s ILE 91 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2fn5 s ILE 91 Cb -0.08 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.89 2fn5 s ILE 91 CO -0.09 0.15 0.01 -0.83 0.00 0.00 0.00 174.94 174.18 2fn5 s GLY 92 N -2.44 0.23 0.17 6.18 0.00 -1.25 0.45 107.32 110.67 2fn5 s GLY 92 Ca 0.33 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 45.02 2fn5 s GLY 92 CO 0.26 0.69 0.56 -1.60 0.00 0.00 0.00 173.10 173.01 2fn5 s ARG 93 N 1.14 1.32 0.00 2.90 3.52 0.09 -4.73 118.95 123.19 2fn5 s ARG 93 Ca -0.08 -0.66 0.26 0.00 -0.13 0.00 0.00 55.73 55.13 2fn5 s ARG 93 Cb -0.13 0.56 0.70 0.00 -1.56 0.00 0.00 34.95 34.51 2fn5 s ARG 93 CO -0.02 -0.57 1.55 -0.85 -0.81 0.00 0.00 175.30 174.60