#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 2.60 0.05 1.61 0.09 -1.26 -4.86 115.29 113.52 2fn5 s HIS 2 Ca 0.00 -0.03 -0.31 0.00 -0.00 0.00 0.00 55.06 54.73 2fn5 s HIS 2 Cb 0.00 -4.35 -0.06 0.00 -0.00 0.00 0.00 32.58 28.16 2fn5 s HIS 2 CO 0.00 -1.64 1.38 1.41 -0.00 0.00 0.00 174.74 175.89 2fn5 s MET 3 N 4.64 4.31 -0.63 1.40 0.00 -1.26 -4.90 119.30 122.86 2fn5 s MET 3 Ca 0.33 1.99 -0.24 0.00 0.00 0.00 0.00 55.69 57.76 2fn5 s MET 3 Cb -0.11 -3.43 0.05 0.00 0.00 0.00 0.00 34.83 31.34 2fn5 s MET 3 CO 0.18 -0.49 1.02 -2.00 0.00 0.00 0.00 175.02 173.73 2fn5 s GLU 4 N 1.78 3.23 -0.00 4.11 2.12 -1.20 -4.86 118.70 123.87 2fn5 s GLU 4 Ca 0.64 -0.46 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 2fn5 s GLU 4 Cb -0.33 -4.14 -0.04 0.00 0.26 0.00 0.00 34.13 29.87 2fn5 s GLU 4 CO 0.28 -1.74 0.80 -0.51 -0.54 0.00 0.00 175.26 173.55 2fn5 s LEU 5 N 4.35 4.39 -0.01 2.70 2.01 -1.26 -1.33 118.68 129.53 2fn5 s LEU 5 Ca 0.29 1.42 -0.01 0.00 0.01 0.00 0.00 54.13 55.84 2fn5 s LEU 5 Cb -0.13 -3.27 0.01 0.00 0.01 0.00 0.00 46.19 42.81 2fn5 s LEU 5 CO 0.15 -0.10 0.03 0.72 1.01 0.00 0.00 176.35 178.16 2fn5 s PHE 6 N 0.49 -0.02 -0.14 0.29 -0.12 0.18 -4.93 117.98 113.73 2fn5 s PHE 6 Ca 0.42 0.08 -0.28 0.00 -0.05 0.00 0.00 56.93 57.09 2fn5 s PHE 6 Cb -0.20 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 2fn5 s PHE 6 CO 0.23 -0.02 0.95 -1.25 -0.05 0.00 0.00 175.22 175.07 2fn5 s PRO 7 N 0.17 4.36 -0.34 1.99 0.04 -1.26 -1.48 135.00 138.48 2fn5 s PRO 7 Ca -0.01 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 2fn5 s PRO 7 Cb -0.02 -3.56 0.07 0.00 0.04 0.00 0.00 34.50 31.03 2fn5 s PRO 7 CO -0.00 -0.35 0.09 0.08 0.04 0.00 0.00 177.00 176.85 2fn5 s VAL 8 N 2.18 3.18 -0.46 -0.36 1.01 0.16 -4.93 120.40 121.18 2fn5 s VAL 8 Ca 0.44 -1.62 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2fn5 s VAL 8 Cb -0.17 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2fn5 s VAL 8 CO 0.15 -0.34 0.75 -0.70 0.00 0.00 0.00 175.10 174.96 2fn5 s GLU 9 N 1.22 3.34 0.05 2.72 2.12 -1.25 0.13 118.70 127.02 2fn5 s GLU 9 Ca 0.00 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.07 2fn5 s GLU 9 Cb -0.21 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 2fn5 s GLU 9 CO -0.02 -1.14 0.18 -1.17 -0.54 0.00 0.00 175.26 172.57 2fn5 s LEU 10 N 3.18 4.27 -0.46 2.70 1.98 0.91 -4.89 118.68 126.36 2fn5 s LEU 10 Ca 0.27 0.24 0.04 0.00 -2.89 0.00 0.00 54.13 51.78 2fn5 s LEU 10 Cb -0.13 -2.83 0.12 0.00 0.66 0.00 0.00 46.19 44.01 2fn5 s LEU 10 CO 0.20 0.19 0.20 -0.70 -1.89 0.00 0.00 176.35 174.35 2fn5 s GLU 11 N -2.39 1.80 0.81 1.98 2.12 -1.24 -0.54 118.70 121.24 2fn5 s GLU 11 Ca 0.33 -2.37 -0.10 0.00 0.36 0.00 0.00 54.97 53.18 2fn5 s GLU 11 Cb -0.13 -3.24 0.11 0.00 0.26 0.00 0.00 34.13 31.13 2fn5 s GLU 11 CO 0.25 -1.06 1.15 0.15 -0.54 0.00 0.00 175.26 175.22 2fn5 s LYS 12 N 0.09 1.65 0.98 4.30 -0.14 0.18 -4.77 119.74 122.04 2fn5 s LYS 12 Ca 0.15 -0.25 -0.13 0.00 -1.36 0.00 0.00 55.97 54.38 2fn5 s LYS 12 Cb -0.24 -2.02 0.18 0.00 -1.68 0.00 0.00 37.83 34.07 2fn5 s LYS 12 CO -0.03 -1.70 1.13 -0.51 -0.76 0.00 0.00 175.35 173.48 2fn5 s ASP 13 N -4.66 2.84 0.39 2.83 1.11 -1.25 -4.26 116.67 113.68 2fn5 s ASP 13 Ca 0.65 0.96 0.28 0.00 0.18 0.00 0.00 52.55 54.63 2fn5 s ASP 13 Cb -0.08 -1.51 1.22 0.00 1.07 0.00 0.00 42.92 43.62 2fn5 s ASP 13 CO 0.48 -2.97 1.85 1.05 1.18 0.00 0.00 175.17 176.76 2fn5 h GLU 14 N -1.78 0.00 -0.29 8.23 4.11 -1.98 -1.21 114.58 121.66 2fn5 h GLU 14 Ca -0.51 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 2fn5 h GLU 14 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2fn5 h GLU 14 CO 0.56 0.00 0.13 0.22 0.07 0.00 0.00 179.01 179.99 2fn5 h ASP 15 N 0.00 0.35 0.00 3.06 3.58 -1.99 -3.49 116.42 117.93 2fn5 h ASP 15 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2fn5 h ASP 15 Cb 0.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2fn5 h ASP 15 CO 0.00 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 2fn5 n GLY 16 N -1.34 0.47 0.13 -0.78 0.00 -0.46 -4.60 105.19 98.61 2fn5 n GLY 16 Ca 0.01 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 0.28 1.74 0.99 3.38 -1.85 -3.33 115.31 116.52 2fn5 h LEU 17 Ca 0.00 -0.79 -0.28 0.00 0.09 0.00 0.00 57.88 56.90 2fn5 h LEU 17 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2fn5 h LEU 17 CO 0.00 1.70 -0.34 0.61 0.09 0.00 0.00 178.44 180.50 2fn5 n GLY 18 N 1.77 0.12 3.90 0.83 0.00 -1.26 -4.32 105.19 106.23 2fn5 n GLY 18 Ca -0.31 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.67 1.84 0.04 -0.61 -4.36 -1.26 -1.91 121.20 112.28 2fn5 s ILE 19 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2fn5 s ILE 19 Cb 0.00 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 2fn5 s ILE 19 CO 0.00 0.00 -0.04 -0.44 0.24 0.00 0.00 174.94 174.70 2fn5 s SER 20 N -4.27 0.54 0.34 4.36 0.01 0.46 -4.93 113.70 110.21 2fn5 s SER 20 Ca 0.38 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2fn5 s SER 20 Cb -0.02 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 2fn5 s SER 20 CO 0.23 -0.38 -0.04 0.27 0.41 0.00 0.00 173.24 173.73 2fn5 s ILE 21 N -2.34 1.91 -0.03 1.44 -5.25 -1.26 -0.04 121.20 115.63 2fn5 s ILE 21 Ca -0.05 -2.11 0.01 0.00 -0.99 0.00 0.00 60.65 57.51 2fn5 s ILE 21 Cb -0.03 -2.70 0.01 0.00 2.95 0.00 0.00 42.46 42.69 2fn5 s ILE 21 CO -0.03 -0.15 -0.05 -0.51 -1.79 0.00 0.00 174.94 172.40 2fn5 s ILE 22 N -2.82 0.48 -0.55 8.37 2.07 0.72 -4.40 121.20 125.08 2fn5 s ILE 22 Ca 0.33 -0.15 -0.20 0.00 -1.41 0.00 0.00 60.65 59.22 2fn5 s ILE 22 Cb 0.05 -0.47 0.07 0.00 0.13 0.00 0.00 42.46 42.24 2fn5 s ILE 22 CO 0.16 0.18 0.71 -0.83 -1.91 0.00 0.00 174.94 173.25 2fn5 s GLY 23 N 0.52 1.69 -0.37 1.50 0.00 -1.26 -1.50 107.32 107.90 2fn5 s GLY 23 Ca -0.06 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 42.83 2fn5 s GLY 23 CO -0.00 1.62 0.27 -3.16 0.00 0.00 0.00 173.10 171.83 2fn5 s MET 24 N 2.93 0.66 -0.25 2.90 0.23 0.11 -4.94 119.30 120.94 2fn5 s MET 24 Ca 0.16 -1.52 -0.30 0.00 -1.03 0.00 0.00 55.69 53.01 2fn5 s MET 24 Cb -0.20 -1.27 -0.06 0.00 -1.53 0.00 0.00 34.83 31.77 2fn5 s MET 24 CO 0.11 -1.26 2.22 0.41 -2.03 0.00 0.00 175.02 174.46 2fn5 n GLY 25 N 3.69 0.91 3.89 3.16 0.00 -1.25 -4.26 105.19 111.34 2fn5 n GLY 25 Ca 0.17 0.81 -0.33 0.00 0.00 0.00 0.00 46.02 46.67 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 8.12 5.27 0.00 1.61 0.11 -1.26 -4.94 120.40 129.30 2fn5 s VAL 26 Ca 1.03 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 2fn5 s VAL 26 Cb -0.45 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2fn5 s VAL 26 CO 0.38 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 2fn5 n GLY 27 N 0.75 2.04 0.08 6.54 0.00 -1.26 -4.45 105.19 108.89 2fn5 n GLY 27 Ca -0.08 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.13 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 n ALA 28 N -3.00 2.83 0.07 4.61 0.00 -1.26 -1.32 120.51 122.44 2fn5 n ALA 28 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 2fn5 n ALA 28 Cb 0.00 -1.09 0.28 0.00 0.00 0.00 0.00 19.45 18.65 2fn5 n ALA 28 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2fn5 h ASP 29 N 0.00 0.32 0.39 0.00 3.32 -1.99 -0.46 116.42 118.00 2fn5 h ASP 29 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2fn5 h ASP 29 Cb 0.87 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2fn5 h ASP 29 CO 0.00 0.56 -0.11 0.00 -1.72 0.00 0.00 179.24 177.97 2fn5 n ALA 30 N -2.48 2.75 -0.60 3.45 0.00 -1.26 -4.90 120.51 117.47 2fn5 n ALA 30 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2fn5 n ALA 30 Cb 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2fn5 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fn5 n GLY 31 N 1.29 0.69 0.07 0.00 0.00 -0.18 -4.67 105.19 102.39 2fn5 n GLY 31 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.52 0.99 -0.00 -1.73 0.21 115.31 116.30 2fn5 h LEU 32 Ca 0.00 -0.04 -0.37 0.00 -0.00 0.00 0.00 57.88 57.47 2fn5 h LEU 32 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 2fn5 h LEU 32 CO 0.00 0.78 -0.52 -0.62 -0.00 0.00 0.00 178.44 178.08 2fn5 n GLU 33 N -4.62 -3.29 -0.55 1.13 1.02 -0.44 -4.85 120.64 109.04 2fn5 n GLU 33 Ca -0.08 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2fn5 n GLU 33 Cb 0.26 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 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 -3.34 0.00 -1.46 3.49 2.85 -1.26 -4.97 118.16 113.47 2fn5 n LYS 34 Ca -0.15 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.73 2fn5 n LYS 34 Cb 0.63 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.05 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 0.64 -2.36 -5.58 -0.00 -1.26 -4.48 117.00 103.95 2fn5 n LEU 35 Ca 0.00 0.73 -0.26 0.00 -0.00 0.00 0.00 56.01 56.48 2fn5 n LEU 35 Cb 0.00 -1.16 0.01 0.00 -0.00 0.00 0.00 43.42 42.26 2fn5 n LEU 35 CO 0.00 -3.11 0.19 0.61 -0.00 0.00 0.00 177.39 175.08 2fn5 n GLY 36 N 1.80 6.11 3.30 1.47 0.00 -1.26 -4.61 105.19 112.00 2fn5 n GLY 36 Ca 0.12 -2.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.02 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 -5.30 3.85 0.42 -0.61 -1.09 -1.26 0.09 121.20 117.31 2fn5 s ILE 37 Ca 0.49 -1.00 0.07 0.00 -2.23 0.00 0.00 60.65 57.98 2fn5 s ILE 37 Cb 0.40 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2fn5 s ILE 37 CO -0.13 -0.10 0.28 -0.36 -1.23 0.00 0.00 174.94 173.40 2fn5 s PHE 38 N 1.43 2.61 -0.07 3.97 0.40 -0.56 -2.77 117.98 122.99 2fn5 s PHE 38 Ca -0.00 -0.56 -0.26 0.00 -0.60 0.00 0.00 56.93 55.51 2fn5 s PHE 38 Cb -0.19 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 2fn5 s PHE 38 CO 0.03 0.01 0.84 0.08 0.70 0.00 0.00 175.22 176.88 2fn5 s VAL 39 N -2.55 4.93 -0.21 -0.44 1.01 -0.71 -0.20 120.40 122.24 2fn5 s VAL 39 Ca 0.44 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 64.00 2fn5 s VAL 39 Cb 0.00 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 2fn5 s VAL 39 CO 0.25 0.15 0.09 1.17 0.00 0.00 0.00 175.10 176.76 2fn5 n LYS 40 N 4.24 0.62 -3.84 2.72 3.00 0.94 -4.64 118.16 121.20 2fn5 n LYS 40 Ca 0.03 0.41 -0.10 0.00 -0.00 0.00 0.00 58.31 58.66 2fn5 n LYS 40 Cb 0.50 -1.67 -0.06 0.00 0.00 0.00 0.00 35.03 33.81 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 -2.45 0.07 0.03 3.15 2.01 -1.01 -4.95 115.64 112.49 2fn5 s THR 41 Ca -0.30 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.63 2fn5 s THR 41 Cb 0.08 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2fn5 s THR 41 CO 0.61 -0.32 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.46 2fn5 s VAL 42 N -3.90 0.48 0.43 3.82 1.01 -1.26 -0.41 120.40 120.57 2fn5 s VAL 42 Ca 0.11 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2fn5 s VAL 42 Cb 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 2fn5 s VAL 42 CO -0.04 -0.31 1.42 1.07 0.00 0.00 0.00 175.10 177.24 2fn5 n THR 43 N 1.71 2.58 0.08 3.92 5.66 -0.80 -4.90 114.28 122.53 2fn5 n THR 43 Ca -0.21 -0.50 -0.03 0.00 -3.05 0.00 0.00 64.05 60.26 2fn5 n THR 43 Cb 0.55 -1.84 -0.06 0.00 -1.55 0.00 0.00 70.33 67.43 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 2.42 0.00 -2.06 1.09 4.11 -1.94 -3.38 114.58 114.82 2fn5 h GLU 44 Ca -0.50 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.36 2fn5 h GLU 44 Cb 1.27 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.12 2fn5 h GLU 44 CO 0.61 0.65 -1.03 0.41 0.07 0.00 0.00 179.01 179.72 2fn5 n GLY 45 N 1.33 3.05 3.54 1.06 0.00 -1.26 -4.83 105.19 108.10 2fn5 n GLY 45 Ca -0.03 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 2fn5 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fn5 s GLY 46 N -1.25 0.66 0.00 -0.02 0.00 -1.26 -5.02 107.32 100.43 2fn5 s GLY 46 Ca 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2fn5 s GLY 46 CO -0.10 -0.72 0.67 0.00 0.00 0.00 0.00 173.10 172.95 2fn5 n ALA 47 N -0.37 1.29 0.02 3.20 0.00 -1.26 -2.80 120.51 120.58 2fn5 n ALA 47 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 2fn5 n ALA 47 Cb 0.62 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 2fn5 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fn5 h ALA 48 N 1.96 -0.16 0.00 0.00 0.00 -1.89 0.31 119.26 119.48 2fn5 h ALA 48 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fn5 h ALA 48 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fn5 h ALA 48 CO 0.00 -0.16 0.00 1.96 0.00 0.00 0.00 179.25 181.05 2fn5 h GLN 49 N -1.04 0.00 -0.07 0.00 4.20 -1.71 -2.02 115.11 114.47 2fn5 h GLN 49 Ca -0.02 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 2fn5 h GLN 49 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2fn5 h GLN 49 CO 0.03 0.00 -0.69 0.00 -0.67 0.00 0.00 178.83 177.49 2fn5 h ARG 50 N 0.00 0.33 0.84 1.46 2.47 -1.54 -3.24 114.38 114.70 2fn5 h ARG 50 Ca 0.00 -0.26 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 2fn5 h ARG 50 Cb 0.54 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2fn5 h ARG 50 CO 0.00 0.90 -0.43 0.22 0.56 0.00 0.00 179.97 181.22 2fn5 h ASP 51 N 0.23 -1.03 0.00 7.04 3.58 -0.19 -3.47 116.42 122.58 2fn5 h ASP 51 Ca -0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2fn5 h ASP 51 Cb 1.25 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2fn5 h ASP 51 CO 0.11 -0.71 0.00 0.61 -2.88 0.00 0.00 179.24 176.38 2fn5 n GLY 52 N -1.59 1.91 0.14 -0.78 0.00 -1.03 -4.83 105.19 99.00 2fn5 n GLY 52 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 2.80 0.50 -6.52 1.61 2.43 -1.92 -3.44 114.38 109.85 2fn5 h ARG 53 Ca 0.00 -0.86 -0.53 0.00 -0.81 0.00 0.00 59.98 57.78 2fn5 h ARG 53 Cb 0.00 0.32 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2fn5 h ARG 53 CO 0.00 1.41 0.09 -1.50 -1.51 0.00 0.00 179.97 178.46 2fn5 s ILE 54 N -2.57 4.59 0.30 1.20 2.07 -1.26 -5.07 121.20 120.45 2fn5 s ILE 54 Ca -0.10 1.28 0.04 0.00 -1.41 0.00 0.00 60.65 60.46 2fn5 s ILE 54 Cb 0.04 -3.88 -0.03 0.00 0.13 0.00 0.00 42.46 38.71 2fn5 s ILE 54 CO 0.93 0.27 0.21 -1.10 -1.91 0.00 0.00 174.94 173.34 2fn5 s GLN 55 N -1.82 1.59 0.00 3.50 -0.21 -1.26 -4.79 119.66 116.67 2fn5 s GLN 55 Ca 0.41 -1.91 0.30 0.00 0.02 0.00 0.00 55.36 54.18 2fn5 s GLN 55 Cb -0.17 0.16 1.58 0.00 1.00 0.00 0.00 33.01 35.58 2fn5 s GLN 55 CO 0.21 -0.53 2.06 1.55 -2.12 0.00 0.00 175.29 176.46 2fn5 n VAL 56 N -0.54 0.00 0.04 1.09 3.14 -1.26 -3.38 118.33 117.41 2fn5 n VAL 56 Ca 0.04 -0.02 0.09 0.00 -2.96 0.00 0.00 64.34 61.48 2fn5 n VAL 56 Cb 0.64 -0.37 0.19 0.00 -1.06 0.00 0.00 33.84 33.24 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 -1.05 3.15 -2.97 6.55 0.23 -1.26 -4.43 115.26 115.47 2fn5 n ASN 57 Ca 0.18 -1.92 -0.09 0.00 -0.53 0.00 0.00 54.58 52.23 2fn5 n ASN 57 Cb 0.21 -0.25 0.04 0.00 -2.08 0.00 0.00 39.78 37.70 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 1.06 0.53 -3.93 0.53 9.92 -1.22 -4.91 116.55 118.54 2fn5 n ASP 58 Ca 0.16 -1.44 -0.23 0.00 -0.53 0.00 0.00 54.79 52.75 2fn5 n ASP 58 Cb 0.50 -0.24 -0.17 0.00 -0.64 0.00 0.00 41.12 40.58 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2fn5 s GLN 59 N -3.38 1.20 -0.54 -1.24 0.74 -1.26 -1.73 119.66 113.46 2fn5 s GLN 59 Ca 0.25 -0.21 -0.28 0.00 0.05 0.00 0.00 55.36 55.17 2fn5 s GLN 59 Cb -0.01 -1.15 0.02 0.00 1.10 0.00 0.00 33.01 32.96 2fn5 s GLN 59 CO 0.16 -0.09 1.34 0.42 -0.55 0.00 0.00 175.29 176.58 2fn5 s ILE 60 N 1.04 3.89 -0.20 -2.34 -1.09 -1.11 -3.79 121.20 117.59 2fn5 s ILE 60 Ca -0.08 0.80 -0.21 0.00 -2.23 0.00 0.00 60.65 58.92 2fn5 s ILE 60 Cb -0.14 -4.48 -0.20 0.00 -1.58 0.00 0.00 42.46 36.06 2fn5 s ILE 60 CO -0.00 -1.13 0.26 0.58 -1.23 0.00 0.00 174.94 173.41 2fn5 h VAL 61 N 6.33 0.96 -2.83 2.92 2.07 -1.81 -3.45 116.25 120.44 2fn5 h VAL 61 Ca -0.26 -2.20 -0.17 0.00 0.82 0.00 0.00 66.70 64.89 2fn5 h VAL 61 Cb 1.08 2.31 -0.29 0.00 -1.52 0.00 0.00 31.29 32.87 2fn5 h VAL 61 CO 1.16 0.36 -0.43 -0.70 0.02 0.00 0.00 177.57 177.98 2fn5 s GLU 62 N -2.36 0.26 -0.13 1.57 2.12 0.06 -2.88 118.70 117.34 2fn5 s GLU 62 Ca -0.28 0.70 0.02 0.00 0.36 0.00 0.00 54.97 55.78 2fn5 s GLU 62 Cb 0.05 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2fn5 s GLU 62 CO 0.61 -0.20 -0.20 0.08 -0.54 0.00 0.00 175.26 175.01 2fn5 s VAL 63 N 1.69 2.33 -0.92 3.70 1.01 -1.26 0.56 120.40 127.51 2fn5 s VAL 63 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2fn5 s VAL 63 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2fn5 s VAL 63 CO -0.10 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 174.87 2fn5 n ASP 64 N 3.78 -5.21 0.00 3.32 2.03 0.22 -0.76 116.55 119.93 2fn5 n ASP 64 Ca -0.19 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2fn5 n ASP 64 Cb 0.52 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 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 -0.36 0.50 0.21 0.27 0.00 -1.26 -4.94 105.19 99.60 2fn5 n GLY 65 Ca -0.09 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.89 -0.61 2.10 -1.30 -3.49 117.51 108.33 2fn5 h ILE 66 Ca 0.00 -0.75 -0.13 0.00 1.08 0.00 0.00 64.86 65.06 2fn5 h ILE 66 Cb 0.00 1.73 0.01 0.00 -1.09 0.00 0.00 36.82 37.47 2fn5 h ILE 66 CO 0.00 0.00 -0.93 -1.54 -1.08 0.00 0.00 178.15 174.60 2fn5 n SER 67 N -2.89 -6.90 -1.62 2.19 3.41 -1.26 -4.92 113.62 101.64 2fn5 n SER 67 Ca 0.03 0.45 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 2fn5 n SER 67 Cb 0.44 -3.41 0.35 0.00 -0.26 0.00 0.00 64.21 61.34 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 0.25 4.83 -4.55 1.04 -0.00 -1.14 -4.87 117.00 112.56 2fn5 n LEU 68 Ca 0.01 -2.44 -0.24 0.00 -0.00 0.00 0.00 56.01 53.34 2fn5 n LEU 68 Cb 0.46 -0.61 -0.07 0.00 -0.00 0.00 0.00 43.42 43.19 2fn5 n LEU 68 CO 0.40 0.67 1.64 0.52 -0.00 0.00 0.00 177.39 180.62 2fn5 n VAL 69 N 0.80 -0.03 0.00 1.47 0.31 -1.14 -2.45 118.33 117.29 2fn5 n VAL 69 Ca 0.24 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2fn5 n VAL 69 Cb 0.96 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 6.40 0.64 3.52 2.92 0.00 -1.26 -4.86 105.19 112.56 2fn5 n GLY 70 Ca 0.46 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.09 0.56 0.54 1.61 -7.23 -1.03 -5.03 120.40 108.74 2fn5 s VAL 71 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2fn5 s VAL 71 Cb 0.00 -2.32 0.06 0.00 0.56 0.00 0.00 36.38 34.68 2fn5 s VAL 71 CO 0.00 0.00 0.74 0.42 -0.31 0.00 0.00 175.10 175.95 2fn5 s THR 72 N -3.19 2.49 0.34 5.32 -4.23 -1.26 -4.70 115.64 110.42 2fn5 s THR 72 Ca 0.23 -0.92 0.19 0.00 -1.18 0.00 0.00 61.69 60.01 2fn5 s THR 72 Cb 0.02 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.46 2fn5 s THR 72 CO 0.15 0.00 1.90 0.06 -0.54 0.00 0.00 174.62 176.18 2fn5 h GLN 73 N 0.24 0.00 -0.02 3.99 -0.00 -1.92 -1.48 115.11 115.92 2fn5 h GLN 73 Ca -0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.17 2fn5 h GLN 73 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.75 2fn5 h GLN 73 CO 0.43 0.27 -0.59 -2.95 -0.00 0.00 0.00 178.83 176.00 2fn5 h ASN 74 N 0.00 0.09 -0.01 0.06 7.08 -1.98 0.38 115.58 121.19 2fn5 h ASN 74 Ca -0.00 -0.05 -0.04 0.00 -3.08 0.00 0.00 56.30 53.13 2fn5 h ASN 74 Cb 0.58 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2fn5 h ASN 74 CO 0.04 0.66 -0.15 0.15 -2.08 0.00 0.00 177.43 176.05 2fn5 h PHE 75 N 0.06 0.17 -0.71 4.14 3.04 -1.82 -2.88 116.94 118.94 2fn5 h PHE 75 Ca -0.01 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 2fn5 h PHE 75 Cb 1.06 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.51 2fn5 h PHE 75 CO 0.01 0.83 0.38 0.00 -2.02 0.00 0.00 178.31 177.51 2fn5 h ALA 76 N 0.30 0.91 -0.32 2.41 0.00 -1.14 -0.68 119.26 120.73 2fn5 h ALA 76 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fn5 h ALA 76 Cb 0.86 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2fn5 h ALA 76 CO 0.03 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.92 2fn5 h ALA 77 N 1.19 1.76 -0.03 0.00 0.00 -0.33 -0.35 119.26 121.50 2fn5 h ALA 77 Ca 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2fn5 h ALA 77 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2fn5 h ALA 77 CO -0.04 0.22 -0.08 1.15 0.00 0.00 0.00 179.25 180.50 2fn5 h THR 78 N 0.44 1.44 -0.38 0.00 2.02 -1.05 -2.39 112.91 112.99 2fn5 h THR 78 Ca 0.12 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 2fn5 h THR 78 Cb -0.04 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2fn5 h THR 78 CO -0.02 0.38 0.19 1.62 0.37 0.00 0.00 175.52 178.06 2fn5 h VAL 79 N -0.42 1.17 0.00 3.16 3.04 -0.68 0.01 116.25 122.52 2fn5 h VAL 79 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2fn5 h VAL 79 Cb 0.66 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2fn5 h VAL 79 CO 0.02 0.18 0.00 0.18 -1.01 0.00 0.00 177.57 176.93 2fn5 n LEU 80 N -4.71 0.00 -0.06 3.16 7.99 -0.18 -1.96 117.00 121.23 2fn5 n LEU 80 Ca -0.00 0.39 -0.06 0.00 -0.01 0.00 0.00 56.01 56.33 2fn5 n LEU 80 Cb 0.10 -0.39 -0.15 0.00 -0.11 0.00 0.00 43.42 42.87 2fn5 n LEU 80 CO 0.36 -0.18 -0.91 -1.14 -1.51 0.00 0.00 177.39 174.01 2fn5 n ARG 81 N -1.39 0.67 0.00 3.23 0.00 -0.75 -4.36 116.66 114.06 2fn5 n ARG 81 Ca 0.06 0.04 0.15 0.00 -0.00 0.00 0.00 57.85 58.09 2fn5 n ARG 81 Cb 0.15 -1.59 0.66 0.00 0.00 0.00 0.00 32.46 31.69 2fn5 n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2fn5 n ASN 82 N -2.74 0.61 -4.84 6.15 3.02 -0.08 -4.90 115.26 112.49 2fn5 n ASN 82 Ca -0.24 -0.90 -0.31 0.00 -0.03 0.00 0.00 54.58 53.10 2fn5 n ASN 82 Cb 1.03 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 40.20 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 -2.25 4.28 0.00 3.41 -4.23 -1.16 -5.08 115.64 110.60 2fn5 s THR 83 Ca 0.35 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 2fn5 s THR 83 Cb 0.21 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2fn5 s THR 83 CO 0.42 -0.96 0.00 0.29 -0.54 0.00 0.00 174.62 173.83 2fn5 n LYS 84 N -2.96 3.42 0.15 3.99 4.76 -1.26 -4.80 118.16 121.46 2fn5 n LYS 84 Ca 0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 2fn5 n LYS 84 Cb 0.54 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.65 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 -1.15 -5.88 0.72 0.00 -1.75 -3.40 103.07 91.60 2fn5 h GLY 85 Ca 0.00 0.57 -0.57 0.00 0.00 0.00 0.00 47.33 47.33 2fn5 h GLY 85 CO 0.00 -0.33 0.88 -1.31 0.00 0.00 0.00 176.54 175.78 2fn5 s ASN 86 N -3.93 6.84 -0.02 0.19 0.02 -1.25 0.51 114.94 117.29 2fn5 s ASN 86 Ca -0.13 1.00 0.03 0.00 -1.02 0.00 0.00 52.86 52.74 2fn5 s ASN 86 Cb 0.04 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.77 2fn5 s ASN 86 CO 0.44 -0.98 -0.09 -0.69 0.02 0.00 0.00 177.10 175.80 2fn5 s VAL 87 N 3.92 0.78 -0.56 1.60 1.01 0.30 -4.96 120.40 122.50 2fn5 s VAL 87 Ca 0.48 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 2fn5 s VAL 87 Cb -0.12 -0.69 0.13 0.00 0.00 0.00 0.00 36.38 35.69 2fn5 s VAL 87 CO 0.19 0.24 0.54 -0.13 0.00 0.00 0.00 175.10 175.94 2fn5 s ARG 88 N 0.13 3.02 -0.58 2.72 0.52 -1.26 -0.06 118.95 123.43 2fn5 s ARG 88 Ca -0.02 -1.67 -0.21 0.00 -0.52 0.00 0.00 55.73 53.30 2fn5 s ARG 88 Cb -0.08 -4.30 0.07 0.00 0.52 0.00 0.00 34.95 31.16 2fn5 s ARG 88 CO 0.00 -1.36 0.83 -0.06 0.02 0.00 0.00 175.30 174.73 2fn5 s PHE 89 N 1.72 2.85 -0.97 -0.53 0.08 0.12 -0.61 117.98 120.65 2fn5 s PHE 89 Ca 0.05 -0.49 -0.15 0.00 0.12 0.00 0.00 56.93 56.46 2fn5 s PHE 89 Cb -0.29 -4.00 0.18 0.00 -0.57 0.00 0.00 43.02 38.34 2fn5 s PHE 89 CO 0.03 -1.36 1.08 0.08 -0.10 0.00 0.00 175.22 174.94 2fn5 s VAL 90 N 3.45 5.17 0.13 -0.44 1.01 0.19 0.40 120.40 130.31 2fn5 s VAL 90 Ca 0.21 -2.21 0.04 0.00 0.00 0.00 0.00 61.98 60.01 2fn5 s VAL 90 Cb -0.18 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2fn5 s VAL 90 CO 0.12 -1.36 0.15 -0.63 0.00 0.00 0.00 175.10 173.39 2fn5 s ILE 91 N 1.35 4.73 0.16 2.22 1.01 -0.55 -0.76 121.20 129.36 2fn5 s ILE 91 Ca 0.30 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2fn5 s ILE 91 Cb -0.06 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2fn5 s ILE 91 CO -0.08 -0.02 -0.17 -0.83 0.00 0.00 0.00 174.94 173.84 2fn5 s GLY 92 N -2.89 1.34 -0.02 6.18 0.00 -1.25 0.47 107.32 111.15 2fn5 s GLY 92 Ca 0.31 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 2fn5 s GLY 92 CO 0.24 -1.53 0.04 -1.60 0.00 0.00 0.00 173.10 170.25 2fn5 s ARG 93 N -2.89 0.03 0.00 2.90 3.52 -0.44 -4.20 118.95 117.87 2fn5 s ARG 93 Ca 0.15 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 2fn5 s ARG 93 Cb -0.05 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2fn5 s ARG 93 CO 0.06 -0.05 0.33 0.39 -0.81 0.00 0.00 175.30 175.22