#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fn5 n HIS 2 N 0.00 0.63 -3.66 1.61 -0.00 -1.26 -4.55 115.22 107.99 2fn5 n HIS 2 Ca 0.00 -0.32 -0.08 0.00 -0.00 0.00 0.00 57.72 57.32 2fn5 n HIS 2 Cb 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2fn5 n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2fn5 s MET 3 N -1.37 0.33 -0.57 1.57 -2.45 -1.26 -4.70 119.30 110.85 2fn5 s MET 3 Ca 0.32 1.04 -0.23 0.00 -1.25 0.00 0.00 55.69 55.57 2fn5 s MET 3 Cb 0.16 0.34 0.05 0.00 1.25 0.00 0.00 34.83 36.63 2fn5 s MET 3 CO 0.21 -0.25 0.89 -2.00 1.05 0.00 0.00 175.02 174.92 2fn5 s GLU 4 N 2.60 3.24 -0.33 4.11 2.12 0.99 -4.87 118.70 126.57 2fn5 s GLU 4 Ca -0.02 -0.51 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 2fn5 s GLU 4 Cb -0.12 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.17 2fn5 s GLU 4 CO -0.13 -1.51 0.78 -0.51 -0.54 0.00 0.00 175.26 173.35 2fn5 s LEU 5 N 3.72 4.10 -0.02 2.70 2.01 -1.26 -0.48 118.68 129.45 2fn5 s LEU 5 Ca 0.26 0.54 0.03 0.00 0.01 0.00 0.00 54.13 54.97 2fn5 s LEU 5 Cb -0.15 -3.04 -0.00 0.00 0.01 0.00 0.00 46.19 43.01 2fn5 s LEU 5 CO 0.16 -0.65 -0.10 0.72 1.01 0.00 0.00 176.35 177.49 2fn5 s PHE 6 N 2.99 0.95 -0.06 0.29 -0.71 0.18 -4.95 117.98 116.68 2fn5 s PHE 6 Ca 0.32 -0.22 -0.28 0.00 -1.04 0.00 0.00 56.93 55.71 2fn5 s PHE 6 Cb -0.14 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.99 2fn5 s PHE 6 CO 0.14 -0.07 0.89 -1.25 -1.34 0.00 0.00 175.22 173.59 2fn5 s PRO 7 N 0.05 4.47 -0.24 1.99 0.04 -1.26 -1.31 135.00 138.74 2fn5 s PRO 7 Ca -0.01 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.27 2fn5 s PRO 7 Cb -0.07 -3.48 0.05 0.00 0.04 0.00 0.00 34.50 31.03 2fn5 s PRO 7 CO 0.00 -0.10 -0.11 0.08 0.04 0.00 0.00 177.00 176.91 2fn5 s VAL 8 N 1.26 2.30 -0.50 -0.36 1.01 0.15 -4.93 120.40 119.33 2fn5 s VAL 8 Ca 0.46 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 2fn5 s VAL 8 Cb -0.19 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.01 2fn5 s VAL 8 CO 0.22 0.12 0.55 -0.70 0.00 0.00 0.00 175.10 175.29 2fn5 s GLU 9 N 1.18 3.07 0.07 2.72 2.12 -1.25 0.39 118.70 127.01 2fn5 s GLU 9 Ca -0.04 -1.05 -0.12 0.00 0.36 0.00 0.00 54.97 54.11 2fn5 s GLU 9 Cb -0.18 -4.12 -0.06 0.00 0.26 0.00 0.00 34.13 30.04 2fn5 s GLU 9 CO -0.06 -1.17 0.44 -1.17 -0.54 0.00 0.00 175.26 172.76 2fn5 s LEU 10 N 2.31 4.39 -0.68 2.70 1.98 0.12 -4.84 118.68 124.66 2fn5 s LEU 10 Ca 0.11 0.92 -0.07 0.00 -2.89 0.00 0.00 54.13 52.20 2fn5 s LEU 10 Cb -0.21 -2.93 0.18 0.00 0.66 0.00 0.00 46.19 43.89 2fn5 s LEU 10 CO 0.10 0.20 0.54 -0.70 -1.89 0.00 0.00 176.35 174.60 2fn5 s GLU 11 N -1.66 2.89 0.47 1.98 2.56 -1.26 -0.22 118.70 123.46 2fn5 s GLU 11 Ca 0.31 -2.48 -0.04 0.00 0.00 0.00 0.00 54.97 52.76 2fn5 s GLU 11 Cb -0.15 -3.96 0.10 0.00 2.00 0.00 0.00 34.13 32.12 2fn5 s GLU 11 CO 0.17 -1.21 0.64 1.63 -0.56 0.00 0.00 175.26 175.93 2fn5 n LYS 12 N 3.69 -0.20 -0.94 4.30 4.76 0.21 -4.82 118.16 125.16 2fn5 n LYS 12 Ca 0.09 -1.37 -0.06 0.00 -2.87 0.00 0.00 58.31 54.10 2fn5 n LYS 12 Cb 0.41 -0.54 0.03 0.00 -1.84 0.00 0.00 35.03 33.09 2fn5 n LYS 12 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2fn5 n ASP 13 N -3.18 0.26 -0.04 4.39 5.75 -1.26 -4.56 116.55 117.91 2fn5 n ASP 13 Ca 0.09 -1.24 0.14 0.00 -0.01 0.00 0.00 54.79 53.78 2fn5 n ASP 13 Cb 0.33 -0.18 0.66 0.00 -1.03 0.00 0.00 41.12 40.89 2fn5 n ASP 13 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2fn5 n GLU 14 N -1.51 0.41 0.07 0.11 0.28 -1.26 -2.97 120.64 115.76 2fn5 n GLU 14 Ca 0.04 -0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 56.83 2fn5 n GLU 14 Cb 0.14 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.38 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 0.18 0.31 0.00 -1.84 3.58 -1.94 -3.49 116.42 113.21 2fn5 h ASP 15 Ca 0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2fn5 h ASP 15 Cb 0.36 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2fn5 h ASP 15 CO 0.00 1.31 0.00 0.61 -2.88 0.00 0.00 179.24 178.28 2fn5 n GLY 16 N 1.55 1.33 0.91 -0.78 0.00 -1.16 -4.79 105.19 102.25 2fn5 n GLY 16 Ca -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 2fn5 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fn5 n LEU 17 N 0.00 0.89 -0.90 0.99 7.94 -1.26 -4.10 117.00 120.57 2fn5 n LEU 17 Ca 0.00 0.12 -0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2fn5 n LEU 17 Cb 0.00 -0.30 0.01 0.00 0.53 0.00 0.00 43.42 43.65 2fn5 n LEU 17 CO 0.00 -0.64 -0.02 0.61 -1.11 0.00 0.00 177.39 176.23 2fn5 n GLY 18 N 3.23 0.28 4.00 -3.96 0.00 -1.24 -4.57 105.19 102.93 2fn5 n GLY 18 Ca -0.01 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 2.69 0.07 -0.61 -4.36 -1.26 -3.68 121.20 111.48 2fn5 s ILE 19 Ca 0.06 -1.05 0.09 0.00 -0.26 0.00 0.00 60.65 59.49 2fn5 s ILE 19 Cb -0.03 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 2fn5 s ILE 19 CO 0.07 0.00 -0.25 -0.44 0.24 0.00 0.00 174.94 174.56 2fn5 s SER 20 N -4.41 3.32 0.31 4.36 0.01 0.32 -4.83 113.70 112.77 2fn5 s SER 20 Ca 0.55 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 57.29 2fn5 s SER 20 Cb -0.08 -0.33 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 2fn5 s SER 20 CO 0.34 0.24 -0.09 0.27 0.41 0.00 0.00 173.24 174.41 2fn5 s ILE 21 N -0.89 1.98 -0.04 1.44 -5.25 -1.26 -0.33 121.20 116.85 2fn5 s ILE 21 Ca 0.13 -2.18 0.02 0.00 -0.99 0.00 0.00 60.65 57.62 2fn5 s ILE 21 Cb -0.10 -2.52 0.01 0.00 2.95 0.00 0.00 42.46 42.80 2fn5 s ILE 21 CO 0.04 -0.27 -0.08 -0.51 -1.79 0.00 0.00 174.94 172.33 2fn5 s ILE 22 N -2.79 0.74 -0.49 8.37 2.07 0.37 -4.55 121.20 124.92 2fn5 s ILE 22 Ca 0.31 -0.29 -0.18 0.00 -1.41 0.00 0.00 60.65 59.07 2fn5 s ILE 22 Cb 0.02 -0.69 0.06 0.00 0.13 0.00 0.00 42.46 41.98 2fn5 s ILE 22 CO 0.14 0.25 0.57 -0.83 -1.91 0.00 0.00 174.94 173.16 2fn5 s GLY 23 N 0.52 1.84 -0.39 1.50 0.00 -1.26 -1.24 107.32 108.28 2fn5 s GLY 23 Ca -0.08 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.87 2fn5 s GLY 23 CO 0.01 1.37 0.35 -3.16 0.00 0.00 0.00 173.10 171.66 2fn5 s MET 24 N 2.39 0.75 -0.26 2.90 0.23 0.12 -4.93 119.30 120.51 2fn5 s MET 24 Ca 0.13 -1.51 -0.34 0.00 -1.03 0.00 0.00 55.69 52.94 2fn5 s MET 24 Cb -0.20 -1.10 -0.11 0.00 -1.53 0.00 0.00 34.83 31.90 2fn5 s MET 24 CO 0.11 -1.29 2.10 0.41 -2.03 0.00 0.00 175.02 174.32 2fn5 n GLY 25 N 3.52 0.83 3.39 3.16 0.00 -1.26 -4.09 105.19 110.73 2fn5 n GLY 25 Ca 0.19 0.89 -0.19 0.00 0.00 0.00 0.00 46.02 46.91 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 6.50 1.19 0.00 1.61 0.11 -1.25 -4.84 120.40 123.72 2fn5 s VAL 26 Ca 1.04 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 2fn5 s VAL 26 Cb -0.75 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2fn5 s VAL 26 CO 0.49 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 2fn5 n GLY 27 N -0.54 2.74 0.26 6.54 0.00 -1.26 -2.78 105.19 110.15 2fn5 n GLY 27 Ca -0.04 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 h ALA 28 N 0.00 0.53 -0.45 4.61 0.00 -1.88 0.19 119.26 122.26 2fn5 h ALA 28 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2fn5 h ALA 28 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2fn5 h ALA 28 CO 0.00 0.68 -0.06 0.22 0.00 0.00 0.00 179.25 180.09 2fn5 h ASP 29 N 0.72 0.76 0.51 0.00 1.82 -1.96 -2.05 116.42 116.22 2fn5 h ASP 29 Ca 0.04 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.42 2fn5 h ASP 29 Cb 1.06 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 2fn5 h ASP 29 CO 0.11 0.87 -0.26 0.00 -1.61 0.00 0.00 179.24 178.34 2fn5 h ALA 30 N 1.21 1.24 0.00 -0.78 0.00 -1.92 -3.46 119.26 115.55 2fn5 h ALA 30 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2fn5 h ALA 30 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2fn5 h ALA 30 CO 0.03 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2fn5 n GLY 31 N -0.36 0.47 0.09 0.00 0.00 -0.77 -4.94 105.19 99.68 2fn5 n GLY 31 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.17 -2.44 0.99 4.07 -1.54 -3.49 115.31 113.07 2fn5 h LEU 32 Ca 0.00 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 2fn5 h LEU 32 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2fn5 h LEU 32 CO 0.00 1.21 -0.51 -0.62 -1.08 0.00 0.00 178.44 177.44 2fn5 n GLU 33 N -3.31 -2.19 -3.08 1.13 1.02 0.59 -4.92 120.64 109.88 2fn5 n GLU 33 Ca -0.12 1.95 -0.19 0.00 -0.02 0.00 0.00 57.16 58.78 2fn5 n GLU 33 Cb 1.02 -5.29 0.05 0.00 -0.02 0.00 0.00 31.44 27.19 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2fn5 s LYS 34 N -2.69 2.42 0.87 3.49 2.47 -1.12 -4.88 119.74 120.31 2fn5 s LYS 34 Ca 0.22 -1.57 -0.13 0.00 -1.56 0.00 0.00 55.97 52.93 2fn5 s LYS 34 Cb -0.06 -2.64 0.12 0.00 -1.46 0.00 0.00 37.83 33.79 2fn5 s LYS 34 CO 0.78 -0.71 1.17 -0.48 0.16 0.00 0.00 175.35 176.26 2fn5 s LEU 35 N -4.57 2.24 -0.19 5.43 2.34 -1.26 -4.37 118.68 118.30 2fn5 s LEU 35 Ca 0.59 0.83 0.18 0.00 0.06 0.00 0.00 54.13 55.79 2fn5 s LEU 35 Cb -0.06 -3.20 0.46 0.00 -0.56 0.00 0.00 46.19 42.82 2fn5 s LEU 35 CO 0.37 -2.31 1.16 0.61 -1.06 0.00 0.00 176.35 175.12 2fn5 n GLY 36 N -2.77 3.26 3.44 -3.48 0.00 -1.26 -3.92 105.19 100.47 2fn5 n GLY 36 Ca 0.08 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.88 4.92 0.27 -0.61 -1.09 -1.26 0.15 121.20 120.70 2fn5 s ILE 37 Ca 0.36 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2fn5 s ILE 37 Cb 0.37 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2fn5 s ILE 37 CO -0.06 -0.77 0.33 -0.36 -1.23 0.00 0.00 174.94 172.85 2fn5 s PHE 38 N 2.52 3.24 -0.25 3.97 0.08 -0.38 -2.01 117.98 125.15 2fn5 s PHE 38 Ca 0.14 -0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 2fn5 s PHE 38 Cb -0.19 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2fn5 s PHE 38 CO 0.12 0.35 1.18 0.08 -0.10 0.00 0.00 175.22 176.85 2fn5 s VAL 39 N -2.09 4.38 -0.17 -0.44 1.01 0.07 -0.48 120.40 122.68 2fn5 s VAL 39 Ca 0.37 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.74 2fn5 s VAL 39 Cb -0.08 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 2fn5 s VAL 39 CO 0.28 -0.32 0.43 0.50 0.00 0.00 0.00 175.10 175.99 2fn5 h LYS 40 N 8.31 0.00 -3.66 2.72 1.63 -0.91 -3.38 116.57 121.28 2fn5 h LYS 40 Ca -0.23 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.49 2fn5 h LYS 40 Cb 1.08 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.58 2fn5 h LYS 40 CO 1.00 0.87 -0.25 0.99 -3.45 0.00 0.00 179.45 178.61 2fn5 s THR 41 N -2.23 0.11 0.28 1.00 2.01 -0.85 -4.96 115.64 110.99 2fn5 s THR 41 Ca -0.21 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 60.89 2fn5 s THR 41 Cb 0.01 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2fn5 s THR 41 CO 0.57 -0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.19 2fn5 s VAL 42 N -3.85 2.06 0.31 3.82 1.01 -1.26 -0.52 120.40 121.97 2fn5 s VAL 42 Ca 0.06 -2.25 -0.28 0.00 0.00 0.00 0.00 61.98 59.50 2fn5 s VAL 42 Cb 0.04 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 2fn5 s VAL 42 CO -0.10 -0.37 1.09 0.28 0.00 0.00 0.00 175.10 176.00 2fn5 s THR 43 N -2.75 3.53 -0.14 3.92 -1.32 -1.24 -4.85 115.64 112.78 2fn5 s THR 43 Ca 0.29 1.45 0.14 0.00 -1.21 0.00 0.00 61.69 62.36 2fn5 s THR 43 Cb -0.00 -3.89 -0.24 0.00 -1.51 0.00 0.00 72.50 66.86 2fn5 s THR 43 CO 0.13 0.28 0.29 1.21 -2.21 0.00 0.00 174.62 174.32 2fn5 n GLU 44 N 0.90 0.67 -2.05 7.08 2.13 -1.26 -3.85 120.64 124.25 2fn5 n GLU 44 Ca 0.00 0.13 -0.36 0.00 0.66 0.00 0.00 57.16 57.59 2fn5 n GLU 44 Cb 0.46 -1.63 0.03 0.00 0.27 0.00 0.00 31.44 30.57 2fn5 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fn5 n GLY 45 N 1.72 5.70 3.32 8.31 0.00 -1.26 -4.83 105.19 118.15 2fn5 n GLY 45 Ca -0.28 -2.56 -0.14 0.00 0.00 0.00 0.00 46.02 43.04 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 -1.87 -0.28 0.00 -0.02 0.00 -1.26 -5.02 107.32 98.87 2fn5 s GLY 46 Ca 0.51 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.80 2fn5 s GLY 46 CO -0.33 0.31 0.44 0.00 0.00 0.00 0.00 173.10 173.53 2fn5 n ALA 47 N 1.04 1.39 0.02 3.20 0.00 -1.26 -3.12 120.51 121.78 2fn5 n ALA 47 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2fn5 n ALA 47 Cb 0.57 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 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 1.80 -0.14 0.00 0.00 0.00 -1.90 0.17 119.26 119.20 2fn5 h ALA 48 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2fn5 h ALA 48 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fn5 h ALA 48 CO 0.00 -0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.06 2fn5 n GLN 49 N -4.85 0.21 -0.00 0.00 6.02 -1.18 -1.97 117.38 115.60 2fn5 n GLN 49 Ca -0.08 0.21 -0.18 0.00 -0.01 0.00 0.00 57.00 56.94 2fn5 n GLN 49 Cb 0.28 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 2fn5 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fn5 h ARG 50 N 0.00 0.69 0.91 -1.09 2.47 -1.58 -3.30 114.38 112.47 2fn5 h ARG 50 Ca 0.00 -0.63 -0.04 0.00 -1.26 0.00 0.00 59.98 58.05 2fn5 h ARG 50 Cb 0.64 0.15 0.01 0.00 -1.65 0.00 0.00 29.97 29.12 2fn5 h ARG 50 CO 0.00 1.23 -0.44 0.22 0.56 0.00 0.00 179.97 181.55 2fn5 h ASP 51 N 0.36 -1.03 0.00 7.04 1.82 -0.31 -3.47 116.42 120.83 2fn5 h ASP 51 Ca -0.08 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2fn5 h ASP 51 Cb 1.44 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.72 2fn5 h ASP 51 CO 0.16 -0.73 0.00 0.61 -1.61 0.00 0.00 179.24 177.67 2fn5 n GLY 52 N -1.57 1.39 0.24 -0.78 0.00 -0.83 -4.88 105.19 98.76 2fn5 n GLY 52 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 3.10 0.70 -7.02 1.61 1.12 -1.92 -3.43 114.38 108.55 2fn5 h ARG 53 Ca 0.00 -0.35 -0.47 0.00 -1.11 0.00 0.00 59.98 58.05 2fn5 h ARG 53 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2fn5 h ARG 53 CO 0.00 0.96 0.28 -1.50 -3.11 0.00 0.00 179.97 176.60 2fn5 s ILE 54 N -4.34 4.55 0.21 1.20 2.07 -1.26 -5.07 121.20 118.56 2fn5 s ILE 54 Ca -0.09 1.17 0.06 0.00 -1.41 0.00 0.00 60.65 60.38 2fn5 s ILE 54 Cb 0.12 -3.66 -0.05 0.00 0.13 0.00 0.00 42.46 39.00 2fn5 s ILE 54 CO 0.84 -0.46 -0.10 -1.10 -1.91 0.00 0.00 174.94 172.21 2fn5 s GLN 55 N -3.57 1.32 -0.08 3.50 -0.21 -1.26 -4.94 119.66 114.42 2fn5 s GLN 55 Ca 0.58 -1.61 0.08 0.00 0.02 0.00 0.00 55.36 54.43 2fn5 s GLN 55 Cb -0.10 -0.97 0.37 0.00 1.00 0.00 0.00 33.01 33.31 2fn5 s GLN 55 CO 0.23 0.10 1.16 1.55 -2.12 0.00 0.00 175.29 176.21 2fn5 n VAL 56 N -0.39 1.07 -1.91 1.09 3.14 -1.26 -3.69 118.33 116.39 2fn5 n VAL 56 Ca -0.08 -0.62 0.01 0.00 -2.96 0.00 0.00 64.34 60.70 2fn5 n VAL 56 Cb 0.61 -0.19 0.02 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.38 0.31 -3.55 6.55 2.85 -1.26 -4.51 115.26 116.03 2fn5 n ASN 57 Ca 0.13 -2.14 -0.12 0.00 -0.11 0.00 0.00 54.58 52.35 2fn5 n ASN 57 Cb 0.58 -0.23 0.02 0.00 1.24 0.00 0.00 39.78 41.39 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 -0.16 1.44 -4.23 1.20 8.00 -1.24 -4.89 116.55 116.67 2fn5 n ASP 58 Ca 0.02 -1.90 -0.31 0.00 0.71 0.00 0.00 54.79 53.31 2fn5 n ASP 58 Cb 0.71 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.49 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 -3.33 2.70 -0.66 -1.24 0.74 -1.26 -0.75 119.66 115.86 2fn5 s GLN 59 Ca 0.27 -0.86 -0.27 0.00 0.05 0.00 0.00 55.36 54.55 2fn5 s GLN 59 Cb -0.02 -2.16 0.01 0.00 1.10 0.00 0.00 33.01 31.94 2fn5 s GLN 59 CO 0.17 0.27 1.44 0.42 -0.55 0.00 0.00 175.29 177.04 2fn5 s ILE 60 N 0.11 3.66 -0.11 -2.34 -1.09 -0.85 -3.80 121.20 116.78 2fn5 s ILE 60 Ca -0.11 0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 58.49 2fn5 s ILE 60 Cb -0.16 -4.57 -0.27 0.00 -1.58 0.00 0.00 42.46 35.88 2fn5 s ILE 60 CO 0.06 -1.45 0.77 0.58 -1.23 0.00 0.00 174.94 173.66 2fn5 h VAL 61 N 6.32 1.63 -1.60 2.92 2.07 -1.66 -3.46 116.25 122.47 2fn5 h VAL 61 Ca -0.27 -2.40 -0.00 0.00 0.82 0.00 0.00 66.70 64.85 2fn5 h VAL 61 Cb 1.09 3.25 -0.24 0.00 -1.52 0.00 0.00 31.29 33.86 2fn5 h VAL 61 CO 1.24 0.63 -0.32 -0.70 0.02 0.00 0.00 177.57 178.44 2fn5 s GLU 62 N -2.30 0.48 -0.18 1.57 2.12 0.38 -3.92 118.70 116.85 2fn5 s GLU 62 Ca -0.18 0.96 -0.08 0.00 0.36 0.00 0.00 54.97 56.03 2fn5 s GLU 62 Cb -0.01 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2fn5 s GLU 62 CO 0.73 -0.51 0.09 0.08 -0.54 0.00 0.00 175.26 175.11 2fn5 s VAL 63 N 2.75 5.04 0.00 3.70 1.01 -1.26 -0.05 120.40 131.60 2fn5 s VAL 63 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2fn5 s VAL 63 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2fn5 s VAL 63 CO -0.18 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.72 2fn5 n ASP 64 N 3.36 0.00 0.00 3.32 2.03 -0.27 -0.39 116.55 124.61 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 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.23 1.32 0.27 0.27 0.00 -1.26 -4.93 105.19 99.63 2fn5 n GLY 65 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -5.97 -0.61 2.10 -1.06 -3.48 117.51 108.50 2fn5 h ILE 66 Ca 0.00 -0.48 -0.19 0.00 1.08 0.00 0.00 64.86 65.28 2fn5 h ILE 66 Cb 0.00 1.45 0.01 0.00 -1.09 0.00 0.00 36.82 37.19 2fn5 h ILE 66 CO 0.00 0.00 -0.92 -1.54 -1.08 0.00 0.00 178.15 174.61 2fn5 n SER 67 N -3.01 -6.69 -1.96 2.19 3.41 -1.26 -4.89 113.62 101.40 2fn5 n SER 67 Ca 0.01 0.26 -0.19 0.00 -0.26 0.00 0.00 58.87 58.69 2fn5 n SER 67 Cb 0.29 -3.31 0.14 0.00 -0.26 0.00 0.00 64.21 61.07 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 -0.04 5.95 -4.55 1.04 -0.00 -1.25 -4.87 117.00 113.27 2fn5 n LEU 68 Ca 0.00 -3.16 -0.37 0.00 -0.00 0.00 0.00 56.01 52.48 2fn5 n LEU 68 Cb 0.54 -0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 43.15 2fn5 n LEU 68 CO 0.47 0.94 1.43 -0.69 -0.00 0.00 0.00 177.39 179.55 2fn5 s VAL 69 N -2.60 3.52 0.00 1.47 1.01 -1.25 -2.51 120.40 120.04 2fn5 s VAL 69 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2fn5 s VAL 69 Cb 0.37 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2fn5 s VAL 69 CO 0.08 -1.27 0.00 0.61 0.00 0.00 0.00 175.10 174.53 2fn5 n GLY 70 N 5.97 1.69 3.87 4.51 0.00 -1.26 -4.83 105.19 115.13 2fn5 n GLY 70 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 2.08 0.64 1.61 -7.23 -1.05 -5.02 120.40 109.43 2fn5 s VAL 71 Ca 0.00 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2fn5 s VAL 71 Cb 0.00 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.47 2fn5 s VAL 71 CO 0.00 0.00 0.90 0.42 -0.31 0.00 0.00 175.10 176.11 2fn5 s THR 72 N -2.65 2.40 0.34 5.32 -4.23 -1.26 -4.71 115.64 110.85 2fn5 s THR 72 Ca 0.40 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.43 2fn5 s THR 72 Cb -0.02 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.07 2fn5 s THR 72 CO 0.24 0.00 1.80 0.06 -0.54 0.00 0.00 174.62 176.18 2fn5 h GLN 73 N -0.28 0.21 -0.05 3.99 -0.00 -1.92 -1.52 115.11 115.54 2fn5 h GLN 73 Ca -0.40 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.65 58.04 2fn5 h GLN 73 Cb 1.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 2fn5 h GLN 73 CO 0.49 0.49 -0.57 -2.95 -0.00 0.00 0.00 178.83 176.29 2fn5 h ASN 74 N 0.19 0.16 0.08 0.06 7.08 -1.97 0.29 115.58 121.47 2fn5 h ASN 74 Ca 0.03 -0.09 -0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2fn5 h ASN 74 Cb 0.62 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.82 2fn5 h ASN 74 CO 0.05 0.70 -0.04 0.15 -2.08 0.00 0.00 177.43 176.20 2fn5 h PHE 75 N 0.11 -0.10 -0.66 4.14 3.04 -1.83 -2.93 116.94 118.70 2fn5 h PHE 75 Ca -0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2fn5 h PHE 75 Cb 1.04 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 2fn5 h PHE 75 CO 0.01 0.37 0.31 0.00 -2.02 0.00 0.00 178.31 176.98 2fn5 h ALA 76 N 0.20 0.86 0.00 2.41 0.00 -1.15 -1.34 119.26 120.24 2fn5 h ALA 76 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fn5 h ALA 76 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2fn5 h ALA 76 CO 0.02 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2fn5 n ALA 77 N -2.37 1.41 -0.07 0.00 0.00 0.10 -0.72 120.51 118.87 2fn5 n ALA 77 Ca 0.05 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 2fn5 n ALA 77 Cb 0.14 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 2fn5 n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2fn5 h THR 78 N 0.00 0.85 0.40 0.00 2.02 -1.08 -3.31 112.91 111.78 2fn5 h THR 78 Ca 0.00 -2.23 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 2fn5 h THR 78 Cb 0.17 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2fn5 h THR 78 CO 0.00 0.48 -0.19 0.58 0.37 0.00 0.00 175.52 176.76 2fn5 h VAL 79 N -0.69 0.62 0.00 3.16 2.07 -0.39 0.15 116.25 121.17 2fn5 h VAL 79 Ca -0.37 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2fn5 h VAL 79 Cb 1.51 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2fn5 h VAL 79 CO -0.12 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.68 2fn5 n LEU 80 N -5.28 0.00 -0.11 2.57 7.99 0.10 -1.62 117.00 120.66 2fn5 n LEU 80 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.69 2fn5 n LEU 80 Cb 0.25 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.47 2fn5 n LEU 80 CO 0.35 0.00 -1.23 -1.14 -1.51 0.00 0.00 177.39 173.86 2fn5 n ARG 81 N -0.98 0.49 -0.01 3.23 0.63 -0.93 -3.68 116.66 115.41 2fn5 n ARG 81 Ca 0.10 0.17 0.05 0.00 -0.92 0.00 0.00 57.85 57.24 2fn5 n ARG 81 Cb 0.04 -1.34 0.25 0.00 0.45 0.00 0.00 32.46 31.87 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 -3.63 0.16 -4.71 6.15 3.02 0.50 -4.30 115.26 112.43 2fn5 n ASN 82 Ca -0.41 -1.75 -0.34 0.00 -0.03 0.00 0.00 54.58 52.05 2fn5 n ASN 82 Cb 0.84 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 40.11 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 -1.97 2.06 0.00 3.41 -4.23 -0.79 -5.03 115.64 109.08 2fn5 s THR 83 Ca 0.14 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2fn5 s THR 83 Cb 0.07 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2fn5 s THR 83 CO 0.11 -0.02 0.00 0.29 -0.54 0.00 0.00 174.62 174.46 2fn5 n LYS 84 N -2.88 2.59 0.11 3.99 4.76 -1.26 -4.28 118.16 121.19 2fn5 n LYS 84 Ca 0.14 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 2fn5 n LYS 84 Cb 0.50 0.00 -0.02 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 -0.51 -5.84 0.72 0.00 -1.80 -3.40 103.07 92.24 2fn5 h GLY 85 Ca 0.00 0.21 -0.59 0.00 0.00 0.00 0.00 47.33 46.95 2fn5 h GLY 85 CO 0.00 -0.18 0.67 -1.31 0.00 0.00 0.00 176.54 175.72 2fn5 s ASN 86 N -2.57 6.85 -0.09 0.19 -0.87 -1.25 0.63 114.94 117.82 2fn5 s ASN 86 Ca -0.05 0.94 0.02 0.00 -1.57 0.00 0.00 52.86 52.20 2fn5 s ASN 86 Cb 0.01 -2.49 0.01 0.00 -0.02 0.00 0.00 41.25 38.76 2fn5 s ASN 86 CO 0.14 -0.76 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.06 2fn5 s VAL 87 N 3.34 1.52 -0.54 1.60 1.01 0.69 -4.92 120.40 123.10 2fn5 s VAL 87 Ca 0.40 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2fn5 s VAL 87 Cb -0.13 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.94 2fn5 s VAL 87 CO 0.13 0.44 0.75 -0.13 0.00 0.00 0.00 175.10 176.29 2fn5 s ARG 88 N 0.74 3.16 -0.52 2.72 0.52 -1.26 0.16 118.95 124.48 2fn5 s ARG 88 Ca -0.12 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.13 2fn5 s ARG 88 Cb -0.16 -4.12 0.07 0.00 0.52 0.00 0.00 34.95 31.26 2fn5 s ARG 88 CO 0.02 -1.39 0.60 -0.06 0.02 0.00 0.00 175.30 174.49 2fn5 s PHE 89 N 3.11 3.08 -0.86 -0.53 0.08 0.16 -1.11 117.98 121.92 2fn5 s PHE 89 Ca 0.19 -0.73 -0.18 0.00 0.12 0.00 0.00 56.93 56.33 2fn5 s PHE 89 Cb -0.18 -3.59 0.15 0.00 -0.57 0.00 0.00 43.02 38.83 2fn5 s PHE 89 CO 0.13 -1.05 0.98 0.08 -0.10 0.00 0.00 175.22 175.26 2fn5 s VAL 90 N 2.42 4.96 0.21 -0.44 1.01 0.93 0.33 120.40 129.83 2fn5 s VAL 90 Ca 0.12 -1.71 0.07 0.00 0.00 0.00 0.00 61.98 60.46 2fn5 s VAL 90 Cb -0.22 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 2fn5 s VAL 90 CO 0.09 -1.34 0.10 -0.63 0.00 0.00 0.00 175.10 173.33 2fn5 s ILE 91 N 2.05 4.14 0.02 2.22 1.01 -0.43 -0.47 121.20 129.75 2fn5 s ILE 91 Ca 0.26 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.57 2fn5 s ILE 91 Cb -0.09 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2fn5 s ILE 91 CO -0.07 -0.22 -0.11 -0.83 0.00 0.00 0.00 174.94 173.71 2fn5 s GLY 92 N -3.36 0.62 -0.17 6.18 0.00 -1.25 0.48 107.32 109.82 2fn5 s GLY 92 Ca 0.31 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 2fn5 s GLY 92 CO 0.22 -0.60 -0.01 -1.60 0.00 0.00 0.00 173.10 171.10 2fn5 s ARG 93 N -0.78 3.70 0.00 2.90 3.00 0.37 -4.31 118.95 123.82 2fn5 s ARG 93 Ca 0.01 -0.50 0.32 0.00 -1.00 0.00 0.00 55.73 54.56 2fn5 s ARG 93 Cb -0.06 -3.00 1.90 0.00 0.00 0.00 0.00 34.95 33.79 2fn5 s ARG 93 CO 0.00 0.18 2.22 -0.85 0.00 0.00 0.00 175.30 176.86