#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 -0.57 -0.30 1.61 5.65 -1.26 -5.12 115.29 115.30 2fn5 s HIS 2 Ca 0.00 1.37 -0.03 0.00 0.25 0.00 0.00 55.06 56.65 2fn5 s HIS 2 Cb 0.00 0.20 0.18 0.00 -1.18 0.00 0.00 32.58 31.77 2fn5 s HIS 2 CO 0.00 -0.27 0.62 1.41 -0.65 0.00 0.00 174.74 175.85 2fn5 s MET 3 N 0.30 0.56 -0.35 2.88 0.00 -1.26 -4.40 119.30 117.03 2fn5 s MET 3 Ca -0.00 1.08 -0.13 0.00 0.00 0.00 0.00 55.69 56.63 2fn5 s MET 3 Cb -0.04 0.61 -0.01 0.00 0.00 0.00 0.00 34.83 35.39 2fn5 s MET 3 CO 0.00 -0.52 0.27 -2.00 0.00 0.00 0.00 175.02 172.77 2fn5 s GLU 4 N 2.87 3.47 -0.10 4.11 2.12 0.47 -4.86 118.70 126.78 2fn5 s GLU 4 Ca 0.15 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 2fn5 s GLU 4 Cb -0.14 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 2fn5 s GLU 4 CO -0.20 -0.48 0.68 -0.51 -0.54 0.00 0.00 175.26 174.20 2fn5 s LEU 5 N 1.77 4.28 0.00 2.70 2.01 -1.26 -0.63 118.68 127.55 2fn5 s LEU 5 Ca 0.07 1.10 -0.01 0.00 0.01 0.00 0.00 54.13 55.30 2fn5 s LEU 5 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 46.19 42.99 2fn5 s LEU 5 CO 0.11 -0.15 0.00 0.72 1.01 0.00 0.00 176.35 178.04 2fn5 s PHE 6 N 1.04 0.09 -0.11 0.29 -0.12 0.77 -4.93 117.98 115.01 2fn5 s PHE 6 Ca 0.35 -0.18 -0.27 0.00 -0.05 0.00 0.00 56.93 56.79 2fn5 s PHE 6 Cb -0.17 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2fn5 s PHE 6 CO 0.16 -0.09 0.87 -1.25 -0.05 0.00 0.00 175.22 174.87 2fn5 s PRO 7 N -0.59 4.39 -0.36 1.99 0.04 -1.26 -1.35 135.00 137.87 2fn5 s PRO 7 Ca -0.06 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.14 2fn5 s PRO 7 Cb -0.04 -3.53 0.10 0.00 0.04 0.00 0.00 34.50 31.08 2fn5 s PRO 7 CO -0.00 -0.21 0.09 0.08 0.04 0.00 0.00 177.00 177.00 2fn5 s VAL 8 N 1.69 2.57 -0.47 -0.36 1.01 0.16 -4.92 120.40 120.08 2fn5 s VAL 8 Ca 0.43 -2.27 -0.25 0.00 0.00 0.00 0.00 61.98 59.88 2fn5 s VAL 8 Cb -0.18 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.38 2fn5 s VAL 8 CO 0.17 -0.63 0.93 -0.70 0.00 0.00 0.00 175.10 174.87 2fn5 s GLU 9 N 0.96 3.51 -0.02 2.72 2.12 -1.25 0.07 118.70 126.81 2fn5 s GLU 9 Ca 0.10 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 2fn5 s GLU 9 Cb -0.20 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.21 2fn5 s GLU 9 CO -0.07 -1.25 0.18 -1.17 -0.54 0.00 0.00 175.26 172.42 2fn5 s LEU 10 N 3.77 4.37 -0.65 2.70 1.98 0.95 -4.88 118.68 126.92 2fn5 s LEU 10 Ca 0.36 0.37 -0.04 0.00 -2.89 0.00 0.00 54.13 51.94 2fn5 s LEU 10 Cb -0.10 -2.56 0.17 0.00 0.66 0.00 0.00 46.19 44.35 2fn5 s LEU 10 CO 0.26 0.28 0.48 -0.70 -1.89 0.00 0.00 176.35 174.77 2fn5 s GLU 11 N -1.83 2.68 0.66 1.98 2.12 -1.24 -0.62 118.70 122.45 2fn5 s GLU 11 Ca 0.26 -2.54 -0.11 0.00 0.36 0.00 0.00 54.97 52.94 2fn5 s GLU 11 Cb -0.13 -3.80 0.15 0.00 0.26 0.00 0.00 34.13 30.61 2fn5 s GLU 11 CO 0.17 -1.19 0.89 1.63 -0.54 0.00 0.00 175.26 176.22 2fn5 n LYS 12 N 3.51 -0.84 -1.36 4.30 5.02 0.23 -4.84 118.16 124.19 2fn5 n LYS 12 Ca 0.09 -1.41 -0.29 0.00 -2.02 0.00 0.00 58.31 54.67 2fn5 n LYS 12 Cb 0.39 -0.91 0.18 0.00 -0.02 0.00 0.00 35.03 34.67 2fn5 n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fn5 s ASP 13 N -4.27 2.51 0.55 4.39 1.11 -1.25 -4.38 116.67 115.32 2fn5 s ASP 13 Ca 0.51 0.84 0.25 0.00 0.18 0.00 0.00 52.55 54.33 2fn5 s ASP 13 Cb -0.01 -1.29 1.55 0.00 1.07 0.00 0.00 42.92 44.24 2fn5 s ASP 13 CO 0.36 -3.16 2.17 1.05 1.18 0.00 0.00 175.17 176.76 2fn5 h GLU 14 N -1.92 0.00 -0.24 8.23 4.11 -1.99 -1.54 114.58 121.23 2fn5 h GLU 14 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 2fn5 h GLU 14 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2fn5 h GLU 14 CO 0.51 0.04 -0.06 0.22 0.07 0.00 0.00 179.01 179.79 2fn5 h ASP 15 N 0.00 0.47 0.00 3.06 3.58 -1.97 -3.46 116.42 118.10 2fn5 h ASP 15 Ca -0.00 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2fn5 h ASP 15 Cb 0.10 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2fn5 h ASP 15 CO 0.01 0.73 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 2fn5 n GLY 16 N -0.14 0.83 0.46 -0.78 0.00 -0.58 -4.85 105.19 100.13 2fn5 n GLY 16 Ca -0.04 -1.03 -0.04 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 1.16 -2.46 0.99 7.94 -1.19 -3.93 117.00 119.51 2fn5 n LEU 17 Ca 0.00 0.18 -0.17 0.00 -1.11 0.00 0.00 56.01 54.91 2fn5 n LEU 17 Cb 0.00 -0.50 0.03 0.00 0.53 0.00 0.00 43.42 43.48 2fn5 n LEU 17 CO 0.00 -0.48 0.04 0.61 -1.11 0.00 0.00 177.39 176.45 2fn5 n GLY 18 N 2.29 -0.22 4.01 -3.96 0.00 -1.26 -4.51 105.19 101.54 2fn5 n GLY 18 Ca -0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.07 2.04 0.06 -0.61 -4.36 -1.26 -3.94 121.20 110.06 2fn5 s ILE 19 Ca 0.28 -1.11 0.05 0.00 -0.26 0.00 0.00 60.65 59.61 2fn5 s ILE 19 Cb -0.12 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 2fn5 s ILE 19 CO 0.35 0.00 -0.14 -0.44 0.24 0.00 0.00 174.94 174.95 2fn5 s SER 20 N -4.58 1.63 0.32 4.36 0.01 0.37 -4.86 113.70 110.94 2fn5 s SER 20 Ca 0.56 -0.57 0.10 0.00 1.31 0.00 0.00 55.95 57.35 2fn5 s SER 20 Cb -0.05 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.06 2fn5 s SER 20 CO 0.35 -0.05 -0.10 0.27 0.41 0.00 0.00 173.24 174.12 2fn5 s ILE 21 N -1.16 2.49 -0.10 1.44 -5.25 -1.26 -0.16 121.20 117.21 2fn5 s ILE 21 Ca -0.01 -2.21 0.01 0.00 -0.99 0.00 0.00 60.65 57.45 2fn5 s ILE 21 Cb -0.09 -2.57 0.02 0.00 2.95 0.00 0.00 42.46 42.76 2fn5 s ILE 21 CO 0.02 -0.28 -0.13 -0.51 -1.79 0.00 0.00 174.94 172.25 2fn5 s ILE 22 N -2.54 1.32 -0.55 8.37 2.07 0.44 -4.47 121.20 125.85 2fn5 s ILE 22 Ca 0.32 -0.54 -0.24 0.00 -1.41 0.00 0.00 60.65 58.79 2fn5 s ILE 22 Cb -0.01 -1.23 0.04 0.00 0.13 0.00 0.00 42.46 41.39 2fn5 s ILE 22 CO 0.17 0.41 0.92 -0.83 -1.91 0.00 0.00 174.94 173.69 2fn5 s GLY 23 N 1.04 1.44 0.33 1.50 0.00 -1.26 -1.59 107.32 108.77 2fn5 s GLY 23 Ca -0.06 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 43.41 2fn5 s GLY 23 CO -0.02 2.01 0.21 -3.16 0.00 0.00 0.00 173.10 172.14 2fn5 s MET 24 N 3.85 1.70 -0.41 2.90 0.23 0.13 -4.97 119.30 122.73 2fn5 s MET 24 Ca 0.29 -1.99 0.03 0.00 -1.03 0.00 0.00 55.69 52.99 2fn5 s MET 24 Cb -0.13 0.04 0.12 0.00 -1.53 0.00 0.00 34.83 33.32 2fn5 s MET 24 CO 0.18 -0.54 0.16 0.20 -2.03 0.00 0.00 175.02 172.99 2fn5 s GLY 25 N -3.40 1.86 -0.83 3.16 0.00 -1.26 -2.87 107.32 103.97 2fn5 s GLY 25 Ca 0.36 -2.59 -0.21 0.00 0.00 0.00 0.00 44.72 42.28 2fn5 s GLY 25 CO 0.21 1.22 1.11 0.54 0.00 0.00 0.00 173.10 176.18 2fn5 s VAL 26 N 0.58 4.45 -0.23 1.40 0.11 -1.26 -4.57 120.40 120.88 2fn5 s VAL 26 Ca 0.14 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.19 2fn5 s VAL 26 Cb -0.22 -4.78 0.01 0.00 -1.53 0.00 0.00 36.38 29.86 2fn5 s VAL 26 CO -0.07 -1.55 0.27 0.61 -3.33 0.00 0.00 175.10 171.03 2fn5 n GLY 27 N 5.60 -0.87 0.15 6.54 0.00 -1.26 -4.48 105.19 110.86 2fn5 n GLY 27 Ca 0.14 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 0.62 0.76 -0.70 4.61 0.00 -1.92 -3.12 119.26 119.51 2fn5 h ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fn5 h ALA 28 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2fn5 h ALA 28 CO 0.10 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.88 2fn5 n ASP 29 N -2.73 3.88 -1.32 0.00 2.03 -1.26 -4.40 116.55 112.75 2fn5 n ASP 29 Ca 0.03 -2.00 0.09 0.00 0.52 0.00 0.00 54.79 53.43 2fn5 n ASP 29 Cb 0.51 -0.46 0.31 0.00 -0.72 0.00 0.00 41.12 40.76 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fn5 n ALA 30 N 1.58 2.77 0.00 -1.67 0.00 -1.18 -4.97 120.51 117.04 2fn5 n ALA 30 Ca 0.24 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2fn5 n ALA 30 Cb 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 1.00 2.20 0.15 0.00 0.00 -1.26 -4.68 105.19 102.60 2fn5 n GLY 31 Ca 0.23 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 0.50 -2.66 0.99 3.38 -1.91 -3.48 115.31 112.13 2fn5 h LEU 32 Ca 0.00 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.28 2fn5 h LEU 32 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2fn5 h LEU 32 CO 0.00 0.98 -0.59 -0.62 0.09 0.00 0.00 178.44 178.30 2fn5 n GLU 33 N -4.39 -2.03 -4.57 1.13 1.02 -1.22 -5.04 120.64 105.54 2fn5 n GLU 33 Ca -0.07 1.77 -0.28 0.00 -0.02 0.00 0.00 57.16 58.56 2fn5 n GLU 33 Cb 0.48 -4.73 -0.08 0.00 -0.02 0.00 0.00 31.44 27.09 2fn5 n GLU 33 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2fn5 s LYS 34 N -2.83 2.03 0.80 3.49 0.00 -1.26 -5.02 119.74 116.95 2fn5 s LYS 34 Ca 0.21 -2.26 -0.15 0.00 0.00 0.00 0.00 55.97 53.77 2fn5 s LYS 34 Cb -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 37.83 37.03 2fn5 s LYS 34 CO 0.80 -0.50 0.67 1.47 0.00 0.00 0.00 175.35 177.79 2fn5 n LEU 35 N -1.02 1.53 -1.22 2.77 -0.00 -1.26 -4.52 117.00 113.29 2fn5 n LEU 35 Ca -0.09 0.53 -0.02 0.00 -0.00 0.00 0.00 56.01 56.43 2fn5 n LEU 35 Cb 0.65 -1.29 0.13 0.00 -0.00 0.00 0.00 43.42 42.91 2fn5 n LEU 35 CO 0.35 -2.86 0.25 0.61 -0.00 0.00 0.00 177.39 175.73 2fn5 n GLY 36 N 1.34 4.58 3.51 1.47 0.00 -1.14 -4.48 105.19 110.48 2fn5 n GLY 36 Ca 0.10 -1.54 -0.43 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 -3.10 4.64 0.40 -0.61 -1.09 -1.25 -0.69 121.20 119.50 2fn5 s ILE 37 Ca 0.40 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 2fn5 s ILE 37 Cb 0.38 -4.37 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 2fn5 s ILE 37 CO -0.06 -0.84 0.42 -0.36 -1.23 0.00 0.00 174.94 172.88 2fn5 s PHE 38 N 3.29 2.81 -0.18 3.97 0.40 -0.62 -3.68 117.98 123.97 2fn5 s PHE 38 Ca 0.26 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 2fn5 s PHE 38 Cb -0.14 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.24 2fn5 s PHE 38 CO 0.19 -0.14 1.09 0.08 0.70 0.00 0.00 175.22 177.14 2fn5 s VAL 39 N -2.38 4.59 -0.18 -0.44 1.01 -0.95 -0.42 120.40 121.63 2fn5 s VAL 39 Ca 0.48 1.90 -0.23 0.00 0.00 0.00 0.00 61.98 64.14 2fn5 s VAL 39 Cb -0.06 -4.23 -0.22 0.00 0.00 0.00 0.00 36.38 31.87 2fn5 s VAL 39 CO 0.29 -0.12 0.41 0.50 0.00 0.00 0.00 175.10 176.18 2fn5 h LYS 40 N 7.52 0.03 -3.68 2.72 1.63 -0.77 -3.41 116.57 120.60 2fn5 h LYS 40 Ca -0.24 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.41 2fn5 h LYS 40 Cb 1.10 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.59 2fn5 h LYS 40 CO 0.94 1.02 -0.37 0.99 -3.45 0.00 0.00 179.45 178.59 2fn5 s THR 41 N -2.34 0.13 0.06 1.00 2.01 -0.86 -4.96 115.64 110.67 2fn5 s THR 41 Ca -0.25 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 60.75 2fn5 s THR 41 Cb 0.03 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2fn5 s THR 41 CO 0.64 -0.57 -0.10 0.54 -0.69 0.00 0.00 174.62 174.44 2fn5 s VAL 42 N -3.27 0.80 0.33 3.82 0.11 -1.26 -0.48 120.40 120.44 2fn5 s VAL 42 Ca 0.00 -1.27 -0.28 0.00 -2.93 0.00 0.00 61.98 57.51 2fn5 s VAL 42 Cb 0.02 -0.91 -0.13 0.00 -1.53 0.00 0.00 36.38 33.83 2fn5 s VAL 42 CO -0.08 -0.37 1.18 1.07 -3.33 0.00 0.00 175.10 173.57 2fn5 n THR 43 N 1.22 2.02 -0.25 5.04 5.66 -1.25 -4.88 114.28 121.84 2fn5 n THR 43 Ca -0.21 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.32 2fn5 n THR 43 Cb 0.55 -1.35 0.16 0.00 -1.55 0.00 0.00 70.33 68.14 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 2.31 0.52 -0.00 1.09 4.11 -1.95 -3.36 114.58 117.30 2fn5 h GLU 44 Ca -0.44 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 58.80 2fn5 h GLU 44 Cb 1.31 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2fn5 h GLU 44 CO 0.62 0.35 -0.29 0.41 0.07 0.00 0.00 179.01 180.16 2fn5 n GLY 45 N -1.31 1.54 3.97 1.06 0.00 -1.26 -4.88 105.19 104.30 2fn5 n GLY 45 Ca 0.12 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.11 1.78 0.00 -0.02 0.00 -1.26 -4.78 107.32 101.93 2fn5 s GLY 46 Ca 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.20 2fn5 s GLY 46 CO -0.09 -0.87 0.82 0.00 0.00 0.00 0.00 173.10 172.96 2fn5 n ALA 47 N -3.33 0.91 0.00 3.20 0.00 -1.26 -1.90 120.51 118.12 2fn5 n ALA 47 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2fn5 n ALA 47 Cb 0.60 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 1.66 -0.11 0.00 0.00 0.00 -1.91 -2.04 119.26 116.87 2fn5 h ALA 48 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2fn5 h ALA 48 Cb 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2fn5 h ALA 48 CO 0.00 -0.10 -0.10 1.96 0.00 0.00 0.00 179.25 181.01 2fn5 h GLN 49 N -0.71 0.00 -0.17 0.00 4.20 -1.68 -1.60 115.11 115.15 2fn5 h GLN 49 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2fn5 h GLN 49 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2fn5 h GLN 49 CO 0.01 0.10 -0.36 0.00 -0.67 0.00 0.00 178.83 177.91 2fn5 h ARG 50 N 0.00 0.37 0.24 1.46 2.47 -1.49 -3.30 114.38 114.13 2fn5 h ARG 50 Ca -0.00 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2fn5 h ARG 50 Cb 0.61 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2fn5 h ARG 50 CO 0.01 0.69 -0.12 0.22 0.56 0.00 0.00 179.97 181.33 2fn5 h ASP 51 N 0.32 -0.28 0.00 7.04 1.82 -0.55 -3.49 116.42 121.28 2fn5 h ASP 51 Ca 0.03 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2fn5 h ASP 51 Cb 0.79 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2fn5 h ASP 51 CO 0.06 -0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2fn5 n GLY 52 N 0.35 0.44 0.13 -0.78 0.00 -0.73 -4.91 105.19 99.68 2fn5 n GLY 52 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 3.59 0.25 -6.57 1.61 1.12 -1.93 -3.43 114.38 109.01 2fn5 h ARG 53 Ca 0.00 -0.29 -0.51 0.00 -1.11 0.00 0.00 59.98 58.07 2fn5 h ARG 53 Cb 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 2fn5 h ARG 53 CO 0.00 1.03 -0.08 -1.50 -3.11 0.00 0.00 179.97 176.30 2fn5 s ILE 54 N -3.13 4.97 0.00 1.20 2.07 -1.26 -5.08 121.20 119.96 2fn5 s ILE 54 Ca -0.03 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2fn5 s ILE 54 Cb 0.09 -3.73 0.00 0.00 0.13 0.00 0.00 42.46 38.96 2fn5 s ILE 54 CO 0.84 -0.36 0.00 0.00 -1.91 0.00 0.00 174.94 173.52 2fn5 n GLN 55 N -0.98 0.83 -0.12 3.50 6.02 -1.26 -4.81 117.38 120.56 2fn5 n GLN 55 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 2fn5 n GLN 55 Cb 0.54 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.90 2fn5 n GLN 55 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2fn5 n VAL 56 N 0.00 1.16 -0.03 5.09 3.14 -1.26 -4.53 118.33 121.90 2fn5 n VAL 56 Ca 0.00 -1.15 0.00 0.00 -2.96 0.00 0.00 64.34 60.23 2fn5 n VAL 56 Cb 0.00 0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 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 -0.11 0.24 -1.98 6.55 2.85 -1.26 -4.59 115.26 116.95 2fn5 n ASN 57 Ca 0.08 -0.60 0.00 0.00 -0.11 0.00 0.00 54.58 53.95 2fn5 n ASN 57 Cb 0.40 0.66 0.00 0.00 1.24 0.00 0.00 39.78 42.09 2fn5 n ASN 57 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2fn5 n ASP 58 N -0.66 0.00 -3.68 1.20 5.68 -1.26 -4.86 116.55 112.96 2fn5 n ASP 58 Ca 0.00 -0.53 -0.17 0.00 -0.50 0.00 0.00 54.79 53.59 2fn5 n ASP 58 Cb 0.01 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2fn5 s GLN 59 N -0.92 -0.00 -0.43 0.11 0.74 -1.26 -2.24 119.66 115.65 2fn5 s GLN 59 Ca 0.00 0.46 -0.28 0.00 0.05 0.00 0.00 55.36 55.59 2fn5 s GLN 59 Cb 0.00 -0.34 -0.01 0.00 1.10 0.00 0.00 33.01 33.75 2fn5 s GLN 59 CO 0.00 -0.29 1.73 0.42 -0.55 0.00 0.00 175.29 176.59 2fn5 s ILE 60 N 2.07 3.54 -0.18 -2.34 -1.09 -1.24 -4.12 121.20 117.83 2fn5 s ILE 60 Ca 0.02 0.50 -0.19 0.00 -2.23 0.00 0.00 60.65 58.74 2fn5 s ILE 60 Cb -0.12 -3.86 -0.16 0.00 -1.58 0.00 0.00 42.46 36.73 2fn5 s ILE 60 CO -0.05 -0.65 0.20 0.58 -1.23 0.00 0.00 174.94 173.80 2fn5 h VAL 61 N 6.75 0.82 -2.45 2.92 2.07 -1.75 -3.47 116.25 121.14 2fn5 h VAL 61 Ca -0.30 -1.93 -0.29 0.00 0.82 0.00 0.00 66.70 65.00 2fn5 h VAL 61 Cb 1.15 1.86 -0.35 0.00 -1.52 0.00 0.00 31.29 32.44 2fn5 h VAL 61 CO 1.10 0.28 -0.60 -0.70 0.02 0.00 0.00 177.57 177.67 2fn5 s GLU 62 N -2.29 0.21 -0.17 1.57 2.12 0.28 -3.15 118.70 117.28 2fn5 s GLU 62 Ca -0.24 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 2fn5 s GLU 62 Cb 0.04 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.35 2fn5 s GLU 62 CO 0.51 -0.64 0.03 0.08 -0.54 0.00 0.00 175.26 174.71 2fn5 s VAL 63 N 2.36 4.55 -1.38 3.70 1.01 -1.26 0.08 120.40 129.47 2fn5 s VAL 63 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2fn5 s VAL 63 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2fn5 s VAL 63 CO -0.12 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 2fn5 n ASP 64 N 3.38 -5.46 -0.12 3.32 2.03 -0.24 -0.51 116.55 118.95 2fn5 n ASP 64 Ca -0.17 0.32 -0.02 0.00 0.52 0.00 0.00 54.79 55.45 2fn5 n ASP 64 Cb 0.52 -4.11 -0.01 0.00 -0.72 0.00 0.00 41.12 36.81 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 -0.19 0.51 0.06 0.27 0.00 -1.26 -4.93 105.19 99.64 2fn5 n GLY 65 Ca -0.13 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 1.69 -5.39 -0.61 2.10 -1.12 -3.49 117.51 110.69 2fn5 h ILE 66 Ca -0.03 -3.40 0.00 0.00 1.08 0.00 0.00 64.86 62.51 2fn5 h ILE 66 Cb 0.11 2.85 -0.05 0.00 -1.09 0.00 0.00 36.82 38.63 2fn5 h ILE 66 CO 0.05 0.97 -1.10 -0.24 -1.08 0.00 0.00 178.15 176.74 2fn5 n SER 67 N -3.35 -4.80 -1.77 2.19 2.88 -1.26 -4.91 113.62 102.60 2fn5 n SER 67 Ca -0.01 1.21 0.06 0.00 -1.33 0.00 0.00 58.87 58.81 2fn5 n SER 67 Cb 0.95 -4.32 0.38 0.00 -0.75 0.00 0.00 64.21 60.47 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 1.43 5.54 -4.56 2.46 -0.00 -1.19 -4.90 117.00 115.79 2fn5 n LEU 68 Ca -0.17 -2.98 -0.23 0.00 -0.00 0.00 0.00 56.01 52.64 2fn5 n LEU 68 Cb 0.32 -0.67 -0.05 0.00 -0.00 0.00 0.00 43.42 43.02 2fn5 n LEU 68 CO 0.31 0.65 1.49 -0.69 -0.00 0.00 0.00 177.39 179.15 2fn5 s VAL 69 N -2.81 3.08 0.00 1.47 1.01 -1.25 -1.47 120.40 120.43 2fn5 s VAL 69 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2fn5 s VAL 69 Cb 0.41 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2fn5 s VAL 69 CO 0.15 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2fn5 n GLY 70 N 6.52 1.22 3.98 4.51 0.00 -1.26 -4.76 105.19 115.39 2fn5 n GLY 70 Ca 0.42 0.00 -0.26 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 2.02 0.65 1.61 -7.23 -0.54 -4.97 120.40 109.93 2fn5 s VAL 71 Ca 0.00 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2fn5 s VAL 71 Cb 0.00 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.40 2fn5 s VAL 71 CO 0.00 0.00 0.89 0.42 -0.31 0.00 0.00 175.10 176.10 2fn5 s THR 72 N -3.47 2.27 0.26 5.32 -4.23 -1.26 -4.79 115.64 109.74 2fn5 s THR 72 Ca 0.71 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2fn5 s THR 72 Cb -0.04 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.42 2fn5 s THR 72 CO 0.48 0.00 1.84 0.06 -0.54 0.00 0.00 174.62 176.46 2fn5 h GLN 73 N -0.22 1.02 -0.13 3.99 -0.00 -1.93 -1.94 115.11 115.90 2fn5 h GLN 73 Ca -0.36 -0.17 -0.10 0.00 -0.00 0.00 0.00 58.65 58.02 2fn5 h GLN 73 Cb 1.28 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 28.57 2fn5 h GLN 73 CO 0.43 0.83 -0.39 -2.95 -0.00 0.00 0.00 178.83 176.75 2fn5 h ASN 74 N 1.00 0.28 0.11 0.06 7.08 -1.96 0.47 115.58 122.62 2fn5 h ASN 74 Ca 0.24 -0.11 -0.01 0.00 -3.08 0.00 0.00 56.30 53.34 2fn5 h ASN 74 Cb 0.18 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 2fn5 h ASN 74 CO -0.02 0.65 -0.05 0.15 -2.08 0.00 0.00 177.43 176.08 2fn5 h PHE 75 N 0.23 -0.14 -0.55 4.14 3.04 -1.87 -2.37 116.94 119.43 2fn5 h PHE 75 Ca 0.02 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2fn5 h PHE 75 Cb 0.79 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 2fn5 h PHE 75 CO 0.02 0.25 0.36 0.00 -2.02 0.00 0.00 178.31 176.92 2fn5 h ALA 76 N 0.26 0.69 0.00 2.41 0.00 -1.07 -1.04 119.26 120.51 2fn5 h ALA 76 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fn5 h ALA 76 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2fn5 h ALA 76 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2fn5 h ALA 77 N 1.20 1.00 0.01 0.00 0.00 -0.07 -0.31 119.26 121.08 2fn5 h ALA 77 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2fn5 h ALA 77 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2fn5 h ALA 77 CO -0.05 0.00 -0.51 1.15 0.00 0.00 0.00 179.25 179.84 2fn5 h THR 78 N 0.00 1.46 0.46 0.00 2.02 -0.68 -3.24 112.91 112.93 2fn5 h THR 78 Ca 0.00 -2.30 -0.02 0.00 0.77 0.00 0.00 66.41 64.86 2fn5 h THR 78 Cb 0.17 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2fn5 h THR 78 CO 0.00 0.51 -0.24 0.58 0.37 0.00 0.00 175.52 176.74 2fn5 h VAL 79 N -0.96 0.51 0.00 3.16 2.07 -0.22 0.27 116.25 121.08 2fn5 h VAL 79 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2fn5 h VAL 79 Cb 1.15 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2fn5 h VAL 79 CO -0.07 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.70 2fn5 n LEU 80 N -5.38 0.00 -0.12 2.57 7.99 -0.23 -1.41 117.00 120.42 2fn5 n LEU 80 Ca -0.11 0.14 -0.22 0.00 -0.01 0.00 0.00 56.01 55.80 2fn5 n LEU 80 Cb 0.28 -0.14 -0.12 0.00 -0.11 0.00 0.00 43.42 43.33 2fn5 n LEU 80 CO 0.36 -0.08 -1.31 -1.14 -1.51 0.00 0.00 177.39 173.71 2fn5 n ARG 81 N -1.14 0.64 0.05 3.23 0.63 -0.66 -4.03 116.66 115.37 2fn5 n ARG 81 Ca 0.08 0.21 0.10 0.00 -0.92 0.00 0.00 57.85 57.32 2fn5 n ARG 81 Cb 0.07 -1.54 0.43 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 0.26 -4.76 6.15 5.03 0.86 -4.70 115.26 114.49 2fn5 n ASN 82 Ca -0.47 0.55 -0.40 0.00 0.87 0.00 0.00 54.58 55.13 2fn5 n ASN 82 Cb 0.95 -0.61 -0.05 0.00 -1.02 0.00 0.00 39.78 39.05 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 -3.09 3.57 0.00 3.41 -4.23 -0.75 -5.05 115.64 109.50 2fn5 s THR 83 Ca 0.08 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2fn5 s THR 83 Cb 0.12 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2fn5 s THR 83 CO 0.39 0.37 0.00 0.29 -0.54 0.00 0.00 174.62 175.12 2fn5 n LYS 84 N 1.19 1.85 -0.41 3.99 4.76 -1.26 -3.19 118.16 125.10 2fn5 n LYS 84 Ca -0.01 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.34 2fn5 n LYS 84 Cb 0.45 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.58 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 -0.62 -7.25 0.72 0.00 -1.76 -3.35 103.07 90.80 2fn5 h GLY 85 Ca 0.00 0.73 -0.62 0.00 0.00 0.00 0.00 47.33 47.44 2fn5 h GLY 85 CO 0.00 -0.01 0.57 -1.31 0.00 0.00 0.00 176.54 175.78 2fn5 s ASN 86 N -5.46 6.18 -0.11 0.19 0.01 -1.25 0.78 114.94 115.28 2fn5 s ASN 86 Ca -0.12 -0.93 0.03 0.00 -0.71 0.00 0.00 52.86 51.13 2fn5 s ASN 86 Cb 0.13 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.37 2fn5 s ASN 86 CO 0.64 -1.45 -0.22 -0.69 -1.51 0.00 0.00 177.10 173.87 2fn5 s VAL 87 N 4.14 2.16 -0.63 1.60 1.01 0.21 -4.93 120.40 123.95 2fn5 s VAL 87 Ca 0.23 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2fn5 s VAL 87 Cb -0.16 -1.84 0.09 0.00 0.00 0.00 0.00 36.38 34.47 2fn5 s VAL 87 CO 0.11 0.55 0.81 -0.13 0.00 0.00 0.00 175.10 176.44 2fn5 s ARG 88 N 0.47 3.10 -0.60 2.72 0.52 -1.26 -0.03 118.95 123.86 2fn5 s ARG 88 Ca -0.15 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 53.67 2fn5 s ARG 88 Cb -0.17 -4.28 0.08 0.00 0.52 0.00 0.00 34.95 31.10 2fn5 s ARG 88 CO 0.06 -1.65 0.79 -0.06 0.02 0.00 0.00 175.30 174.46 2fn5 s PHE 89 N 3.13 2.89 -0.85 -0.53 0.08 0.11 -1.08 117.98 121.73 2fn5 s PHE 89 Ca 0.16 -0.72 -0.19 0.00 0.12 0.00 0.00 56.93 56.30 2fn5 s PHE 89 Cb -0.21 -4.04 0.13 0.00 -0.57 0.00 0.00 43.02 38.33 2fn5 s PHE 89 CO 0.07 -1.38 1.02 0.08 -0.10 0.00 0.00 175.22 174.91 2fn5 s VAL 90 N 3.19 4.78 0.15 -0.44 1.01 0.11 0.36 120.40 129.57 2fn5 s VAL 90 Ca 0.16 -1.45 0.07 0.00 0.00 0.00 0.00 61.98 60.76 2fn5 s VAL 90 Cb -0.20 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 2fn5 s VAL 90 CO 0.09 -1.41 -0.01 -0.63 0.00 0.00 0.00 175.10 173.15 2fn5 s ILE 91 N 2.58 3.76 0.11 2.22 1.01 -0.46 -0.55 121.20 129.87 2fn5 s ILE 91 Ca 0.27 -1.33 0.09 0.00 0.00 0.00 0.00 60.65 59.68 2fn5 s ILE 91 Cb -0.09 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2fn5 s ILE 91 CO -0.05 -0.05 -0.21 -0.83 0.00 0.00 0.00 174.94 173.80 2fn5 s GLY 92 N -2.77 1.30 -0.09 6.18 0.00 -1.26 -0.16 107.32 110.52 2fn5 s GLY 92 Ca 0.27 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2fn5 s GLY 92 CO 0.18 -1.30 -0.13 -1.60 0.00 0.00 0.00 173.10 170.25 2fn5 s ARG 93 N -2.01 2.96 0.00 2.90 3.00 0.20 -4.66 118.95 121.34 2fn5 s ARG 93 Ca 0.08 -0.68 0.31 0.00 -1.00 0.00 0.00 55.73 54.44 2fn5 s ARG 93 Cb -0.10 -2.52 1.88 0.00 0.00 0.00 0.00 34.95 34.21 2fn5 s ARG 93 CO 0.05 0.42 2.20 -0.85 0.00 0.00 0.00 175.30 177.12