#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 3.19 -0.42 1.61 0.09 -1.26 -4.99 115.29 113.50 2fn5 s HIS 2 Ca 0.00 -1.30 -0.26 0.00 -0.00 0.00 0.00 55.06 53.50 2fn5 s HIS 2 Cb 0.00 -4.07 0.02 0.00 -0.00 0.00 0.00 32.58 28.54 2fn5 s HIS 2 CO 0.00 -1.31 0.95 1.41 -0.00 0.00 0.00 174.74 175.80 2fn5 s MET 3 N 2.20 3.68 -0.31 1.40 -2.45 -1.26 -4.27 119.30 118.29 2fn5 s MET 3 Ca 0.20 0.38 -0.16 0.00 -1.25 0.00 0.00 55.69 54.86 2fn5 s MET 3 Cb -0.15 -3.87 -0.02 0.00 1.25 0.00 0.00 34.83 32.04 2fn5 s MET 3 CO -0.02 -1.13 0.40 -2.00 1.05 0.00 0.00 175.02 173.33 2fn5 s GLU 4 N 3.72 3.79 -0.16 4.11 2.12 0.10 -4.86 118.70 127.52 2fn5 s GLU 4 Ca 0.39 -0.14 -0.17 0.00 0.36 0.00 0.00 54.97 55.40 2fn5 s GLU 4 Cb -0.10 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2fn5 s GLU 4 CO 0.24 -0.44 0.44 -0.51 -0.54 0.00 0.00 175.26 174.45 2fn5 s LEU 5 N 2.13 4.21 0.00 2.70 2.01 -1.26 -0.57 118.68 127.90 2fn5 s LEU 5 Ca 0.15 0.66 0.01 0.00 0.01 0.00 0.00 54.13 54.96 2fn5 s LEU 5 Cb -0.16 -2.60 -0.01 0.00 0.01 0.00 0.00 46.19 43.43 2fn5 s LEU 5 CO 0.11 -0.04 -0.04 0.72 1.01 0.00 0.00 176.35 178.11 2fn5 s PHE 6 N 0.99 0.35 -0.15 0.29 -0.12 0.12 -4.95 117.98 114.51 2fn5 s PHE 6 Ca 0.22 -0.12 -0.27 0.00 -0.05 0.00 0.00 56.93 56.71 2fn5 s PHE 6 Cb -0.15 -0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 2fn5 s PHE 6 CO 0.09 -0.02 0.92 -1.25 -0.05 0.00 0.00 175.22 174.91 2fn5 s PRO 7 N -0.28 4.34 -0.54 1.99 0.04 -1.26 -1.27 135.00 138.01 2fn5 s PRO 7 Ca -0.00 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 2fn5 s PRO 7 Cb -0.03 -3.57 0.14 0.00 0.04 0.00 0.00 34.50 31.09 2fn5 s PRO 7 CO -0.00 -0.36 0.38 0.08 0.04 0.00 0.00 177.00 177.15 2fn5 s VAL 8 N 2.22 3.97 -0.64 -0.36 1.01 0.17 -4.91 120.40 121.85 2fn5 s VAL 8 Ca 0.43 -2.29 -0.26 0.00 0.00 0.00 0.00 61.98 59.86 2fn5 s VAL 8 Cb -0.17 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2fn5 s VAL 8 CO 0.14 -0.81 1.11 -0.70 0.00 0.00 0.00 175.10 174.83 2fn5 s GLU 9 N 0.74 3.28 -0.08 2.72 2.12 -1.25 -0.36 118.70 125.86 2fn5 s GLU 9 Ca 0.11 -0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.08 2fn5 s GLU 9 Cb -0.22 -4.12 -0.04 0.00 0.26 0.00 0.00 34.13 30.00 2fn5 s GLU 9 CO -0.03 -1.81 0.21 -1.17 -0.54 0.00 0.00 175.26 171.91 2fn5 s LEU 10 N 4.76 4.41 -0.55 2.70 1.98 0.13 -4.89 118.68 127.22 2fn5 s LEU 10 Ca 0.33 0.58 -0.07 0.00 -2.89 0.00 0.00 54.13 52.08 2fn5 s LEU 10 Cb -0.11 -2.23 0.14 0.00 0.66 0.00 0.00 46.19 44.66 2fn5 s LEU 10 CO 0.17 0.38 0.40 -0.70 -1.89 0.00 0.00 176.35 174.71 2fn5 s GLU 11 N -1.11 2.56 0.80 1.98 2.12 -1.25 -0.28 118.70 123.53 2fn5 s GLU 11 Ca 0.18 -2.11 -0.09 0.00 0.36 0.00 0.00 54.97 53.32 2fn5 s GLU 11 Cb -0.13 -3.87 0.12 0.00 0.26 0.00 0.00 34.13 30.51 2fn5 s GLU 11 CO 0.07 -1.18 1.12 0.15 -0.54 0.00 0.00 175.26 174.88 2fn5 s LYS 12 N 0.72 1.57 0.76 4.30 -0.14 0.22 -4.80 119.74 122.38 2fn5 s LYS 12 Ca 0.11 -0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 54.25 2fn5 s LYS 12 Cb -0.22 -2.09 0.15 0.00 -1.68 0.00 0.00 37.83 34.00 2fn5 s LYS 12 CO -0.03 -1.68 1.04 0.16 -0.76 0.00 0.00 175.35 174.07 2fn5 s ASP 13 N -4.69 4.14 0.31 2.83 -4.77 -1.26 -4.47 116.67 108.77 2fn5 s ASP 13 Ca 0.66 -0.50 0.25 0.00 -3.30 0.00 0.00 52.55 49.66 2fn5 s ASP 13 Cb -0.07 0.24 1.08 0.00 -1.09 0.00 0.00 42.92 43.08 2fn5 s ASP 13 CO 0.48 -2.02 1.76 1.05 0.70 0.00 0.00 175.17 177.13 2fn5 h GLU 14 N -0.64 0.00 0.00 2.11 4.11 -1.99 -2.23 114.58 115.94 2fn5 h GLU 14 Ca -0.34 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.94 2fn5 h GLU 14 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2fn5 h GLU 14 CO 0.37 0.00 -0.69 0.22 0.07 0.00 0.00 179.01 178.97 2fn5 h ASP 15 N 0.00 0.00 0.00 3.06 3.58 -1.99 -3.50 116.42 117.57 2fn5 h ASP 15 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2fn5 h ASP 15 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2fn5 h ASP 15 CO 0.00 0.69 0.00 0.61 -2.88 0.00 0.00 179.24 177.66 2fn5 n GLY 16 N 0.93 0.23 0.30 -0.78 0.00 -0.84 -4.67 105.19 100.36 2fn5 n GLY 16 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 1.59 -0.55 0.99 4.77 -1.26 -4.08 117.00 118.46 2fn5 n LEU 17 Ca 0.00 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2fn5 n LEU 17 Cb 0.00 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 2fn5 n LEU 17 CO 0.00 0.45 -0.06 0.61 -1.33 0.00 0.00 177.39 177.06 2fn5 n GLY 18 N 1.59 0.32 3.81 -0.72 0.00 -1.26 -4.25 105.19 104.68 2fn5 n GLY 18 Ca -0.44 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 2fn5 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fn5 n ILE 19 N -3.70 0.00 -4.04 -0.61 -5.35 -1.26 -2.36 119.36 102.04 2fn5 n ILE 19 Ca -0.06 -1.96 -0.10 0.00 -0.27 0.00 0.00 62.75 60.36 2fn5 n ILE 19 Cb 0.45 -0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 37.84 2fn5 n ILE 19 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2fn5 s SER 20 N -4.44 0.52 0.26 7.28 0.15 0.67 -4.93 113.70 113.21 2fn5 s SER 20 Ca 0.52 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.57 2fn5 s SER 20 Cb -0.04 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2fn5 s SER 20 CO 0.33 -0.36 -0.08 0.27 1.20 0.00 0.00 173.24 174.60 2fn5 s ILE 21 N -2.21 1.69 -0.04 6.45 -5.25 -1.26 -0.09 121.20 120.49 2fn5 s ILE 21 Ca -0.07 -2.16 0.02 0.00 -0.99 0.00 0.00 60.65 57.46 2fn5 s ILE 21 Cb -0.04 -2.34 0.01 0.00 2.95 0.00 0.00 42.46 43.03 2fn5 s ILE 21 CO -0.03 -0.38 -0.10 -0.51 -1.79 0.00 0.00 174.94 172.13 2fn5 s ILE 22 N -2.99 0.91 -0.54 8.37 2.07 0.27 -4.52 121.20 124.76 2fn5 s ILE 22 Ca 0.28 -0.38 -0.20 0.00 -1.41 0.00 0.00 60.65 58.94 2fn5 s ILE 22 Cb 0.02 -0.83 0.07 0.00 0.13 0.00 0.00 42.46 41.85 2fn5 s ILE 22 CO 0.11 0.29 0.70 -0.83 -1.91 0.00 0.00 174.94 173.30 2fn5 s GLY 23 N 0.47 1.71 -0.35 1.50 0.00 -1.26 -1.73 107.32 107.66 2fn5 s GLY 23 Ca -0.09 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.83 2fn5 s GLY 23 CO 0.02 1.60 0.28 -3.16 0.00 0.00 0.00 173.10 171.84 2fn5 s MET 24 N 2.87 0.55 -0.34 2.90 0.23 0.56 -4.96 119.30 121.12 2fn5 s MET 24 Ca 0.16 -1.01 -0.35 0.00 -1.03 0.00 0.00 55.69 53.47 2fn5 s MET 24 Cb -0.20 -1.00 -0.11 0.00 -1.53 0.00 0.00 34.83 32.00 2fn5 s MET 24 CO 0.11 -1.18 2.19 0.41 -2.03 0.00 0.00 175.02 174.52 2fn5 n GLY 25 N 4.27 0.54 3.23 3.16 0.00 -1.26 -4.13 105.19 111.01 2fn5 n GLY 25 Ca 0.10 0.92 -0.13 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 7.42 0.63 0.00 1.61 0.11 -1.26 -4.94 120.40 123.97 2fn5 s VAL 26 Ca 1.09 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2fn5 s VAL 26 Cb -0.81 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 2fn5 s VAL 26 CO 0.48 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2fn5 n GLY 27 N -0.21 0.90 0.43 6.54 0.00 -1.26 -3.26 105.19 108.33 2fn5 n GLY 27 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.39 2.66 -0.33 4.61 0.00 -1.26 -1.44 120.51 123.36 2fn5 n ALA 28 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.86 2fn5 n ALA 28 Cb 0.47 -0.44 0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 2.13 1.01 -0.20 0.00 5.19 -1.99 -0.60 116.42 121.95 2fn5 h ASP 29 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2fn5 h ASP 29 Cb 0.50 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2fn5 h ASP 29 CO 0.00 0.72 0.00 0.00 -3.12 0.00 0.00 179.24 176.84 2fn5 n ALA 30 N -2.35 2.49 -0.51 3.45 0.00 -1.26 -4.92 120.51 117.42 2fn5 n ALA 30 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2fn5 n ALA 30 Cb 0.03 -1.01 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 1.27 0.75 0.13 0.00 0.00 -0.23 -4.96 105.19 102.14 2fn5 n GLY 31 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fn5 n LEU 32 N 0.00 2.33 -2.69 0.99 7.99 -1.26 -5.05 117.00 119.30 2fn5 n LEU 32 Ca 0.00 0.29 -0.04 0.00 -0.01 0.00 0.00 56.01 56.24 2fn5 n LEU 32 Cb 0.00 -1.05 0.01 0.00 -0.11 0.00 0.00 43.42 42.27 2fn5 n LEU 32 CO 0.00 0.63 -0.17 -0.62 -1.51 0.00 0.00 177.39 175.71 2fn5 n GLU 33 N -3.87 -2.67 -1.61 3.23 1.02 -0.52 -5.00 120.64 111.22 2fn5 n GLU 33 Ca -0.33 2.28 -0.09 0.00 -0.02 0.00 0.00 57.16 59.00 2fn5 n GLU 33 Cb 0.90 -5.24 0.04 0.00 -0.02 0.00 0.00 31.44 27.12 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 0.11 0.59 -2.01 3.49 2.85 -0.92 -4.84 118.16 117.43 2fn5 n LYS 34 Ca 0.06 -1.18 -0.38 0.00 -1.05 0.00 0.00 58.31 55.76 2fn5 n LYS 34 Cb 0.24 -0.18 0.02 0.00 -0.65 0.00 0.00 35.03 34.46 2fn5 n LYS 34 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2fn5 s LEU 35 N 0.00 3.93 -0.23 -5.58 0.05 -1.26 -4.35 118.68 111.23 2fn5 s LEU 35 Ca 0.26 2.55 0.10 0.00 0.05 0.00 0.00 54.13 57.09 2fn5 s LEU 35 Cb -0.02 -4.26 0.44 0.00 -2.05 0.00 0.00 46.19 40.30 2fn5 s LEU 35 CO 0.17 -1.26 1.26 0.61 -0.55 0.00 0.00 176.35 176.58 2fn5 n GLY 36 N 0.59 5.22 3.42 -3.48 0.00 -1.26 -4.40 105.19 105.28 2fn5 n GLY 36 Ca 0.09 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.36 4.63 0.39 -0.61 -1.09 -1.25 -0.32 121.20 119.59 2fn5 s ILE 37 Ca 0.40 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2fn5 s ILE 37 Cb 0.38 -4.54 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2fn5 s ILE 37 CO -0.05 -1.20 0.56 -0.36 -1.23 0.00 0.00 174.94 172.66 2fn5 s PHE 38 N 3.22 3.15 -0.05 3.97 0.40 -0.70 -1.45 117.98 126.52 2fn5 s PHE 38 Ca 0.17 -0.02 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 2fn5 s PHE 38 Cb -0.20 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 2fn5 s PHE 38 CO 0.09 -0.18 0.93 0.08 0.70 0.00 0.00 175.22 176.84 2fn5 s VAL 39 N -2.35 4.87 -0.14 -0.44 1.01 -0.29 -0.56 120.40 122.51 2fn5 s VAL 39 Ca 0.47 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 64.27 2fn5 s VAL 39 Cb -0.10 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 2fn5 s VAL 39 CO 0.34 0.12 0.06 0.11 0.00 0.00 0.00 175.10 175.73 2fn5 h LYS 40 N 6.92 0.00 -3.99 2.72 1.79 -0.70 -3.42 116.57 119.89 2fn5 h LYS 40 Ca -0.37 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.98 2fn5 h LYS 40 Cb 1.19 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 2fn5 h LYS 40 CO 0.79 0.27 -0.42 0.99 -1.08 0.00 0.00 179.45 179.99 2fn5 s THR 41 N -2.02 0.10 0.14 -0.16 2.01 -1.09 -4.95 115.64 109.68 2fn5 s THR 41 Ca -0.12 -1.46 0.06 0.00 0.31 0.00 0.00 61.69 60.47 2fn5 s THR 41 Cb 0.01 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2fn5 s THR 41 CO 0.25 -0.46 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.90 2fn5 s VAL 42 N -3.95 1.34 0.66 3.82 1.01 -1.26 -0.24 120.40 121.77 2fn5 s VAL 42 Ca 0.15 -1.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 2fn5 s VAL 42 Cb 0.05 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2fn5 s VAL 42 CO -0.03 -0.55 1.26 0.28 0.00 0.00 0.00 175.10 176.06 2fn5 s THR 43 N -2.66 2.19 0.51 3.92 -1.32 -1.00 -4.86 115.64 112.41 2fn5 s THR 43 Ca 0.14 0.11 0.23 0.00 -1.21 0.00 0.00 61.69 60.96 2fn5 s THR 43 Cb -0.02 -2.97 0.39 0.00 -1.51 0.00 0.00 72.50 68.40 2fn5 s THR 43 CO 0.03 -0.03 1.97 -0.08 -2.21 0.00 0.00 174.62 174.30 2fn5 h GLU 44 N 0.42 0.09 0.00 7.08 4.81 -1.94 -3.40 114.58 121.64 2fn5 h GLU 44 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2fn5 h GLU 44 Cb 1.32 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2fn5 h GLU 44 CO 0.53 0.06 0.00 0.41 -0.73 0.00 0.00 179.01 179.28 2fn5 n GLY 45 N -1.62 -1.04 7.00 1.92 0.00 -1.26 -4.75 105.19 105.44 2fn5 n GLY 45 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2fn5 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fn5 n GLY 46 N 0.04 1.06 0.00 -0.02 0.00 -1.26 -0.40 105.19 104.61 2fn5 n GLY 46 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 7.62 0.63 -0.10 4.61 0.00 -1.26 -4.70 120.51 127.32 2fn5 n ALA 47 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 2fn5 n ALA 47 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 0.80 0.50 0.00 0.00 0.46 -2.03 120.51 120.24 2fn5 n ALA 48 Ca 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 53.44 52.87 2fn5 n ALA 48 Cb 0.41 -0.07 0.36 0.00 0.00 0.00 0.00 19.45 20.15 2fn5 n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2fn5 h GLN 49 N -1.00 0.00 0.00 0.00 4.20 -1.16 -0.75 115.11 116.41 2fn5 h GLN 49 Ca -0.22 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.38 2fn5 h GLN 49 Cb 1.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2fn5 h GLN 49 CO -0.14 0.00 -0.49 0.00 -0.67 0.00 0.00 178.83 177.53 2fn5 h ARG 50 N 0.00 0.00 0.42 1.46 2.47 -1.65 -3.30 114.38 113.77 2fn5 h ARG 50 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2fn5 h ARG 50 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2fn5 h ARG 50 CO 0.00 0.49 -0.20 0.22 0.56 0.00 0.00 179.97 181.04 2fn5 h ASP 51 N 0.00 -0.47 0.00 7.04 3.58 -0.72 -3.48 116.42 122.37 2fn5 h ASP 51 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fn5 h ASP 51 Cb 1.30 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2fn5 h ASP 51 CO 0.06 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 2fn5 n GLY 52 N 0.25 0.80 0.12 -0.78 0.00 -0.37 -4.86 105.19 100.34 2fn5 n GLY 52 Ca -0.07 0.00 -0.18 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 3.33 0.26 -6.50 1.61 1.12 -1.93 -3.45 114.38 108.82 2fn5 h ARG 53 Ca 0.00 -0.44 -0.53 0.00 -1.11 0.00 0.00 59.98 57.90 2fn5 h ARG 53 Cb 0.00 0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.09 2fn5 h ARG 53 CO 0.00 1.12 0.01 -1.50 -3.11 0.00 0.00 179.97 176.48 2fn5 s ILE 54 N -2.61 4.74 0.42 1.20 2.07 -1.26 -5.09 121.20 120.68 2fn5 s ILE 54 Ca -0.11 0.93 0.03 0.00 -1.41 0.00 0.00 60.65 60.10 2fn5 s ILE 54 Cb 0.07 -3.73 -0.03 0.00 0.13 0.00 0.00 42.46 38.91 2fn5 s ILE 54 CO 0.85 0.09 0.11 -1.10 -1.91 0.00 0.00 174.94 172.98 2fn5 s GLN 55 N -2.32 1.95 0.00 3.50 -1.52 -1.26 -4.83 119.66 115.17 2fn5 s GLN 55 Ca 0.44 -2.19 0.25 0.00 -1.95 0.00 0.00 55.36 51.91 2fn5 s GLN 55 Cb -0.14 -0.73 0.47 0.00 -0.22 0.00 0.00 33.01 32.39 2fn5 s GLN 55 CO 0.20 -0.45 1.39 0.28 -0.25 0.00 0.00 175.29 176.46 2fn5 n VAL 56 N -0.94 0.00 -0.04 1.09 0.31 -1.26 -3.60 118.33 113.90 2fn5 n VAL 56 Ca -0.07 -0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.36 2fn5 n VAL 56 Cb 0.65 0.29 0.23 0.00 -0.91 0.00 0.00 33.84 34.09 2fn5 n VAL 56 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2fn5 n ASN 57 N -1.50 3.40 -3.68 4.52 0.23 -1.26 -4.26 115.26 112.71 2fn5 n ASN 57 Ca 0.05 -1.96 -0.23 0.00 -0.53 0.00 0.00 54.58 51.92 2fn5 n ASN 57 Cb 0.33 -0.31 0.15 0.00 -2.08 0.00 0.00 39.78 37.87 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 1.25 0.35 -3.90 0.53 8.00 -1.24 -4.85 116.55 116.69 2fn5 n ASP 58 Ca 0.18 -1.53 -0.21 0.00 0.71 0.00 0.00 54.79 53.94 2fn5 n ASP 58 Cb 0.55 -0.75 -0.17 0.00 -0.02 0.00 0.00 41.12 40.73 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 -5.16 0.98 -0.44 -1.24 0.74 -1.26 -1.14 119.66 112.14 2fn5 s GLN 59 Ca 0.59 -0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.57 2fn5 s GLN 59 Cb -0.02 -0.98 0.02 0.00 1.10 0.00 0.00 33.01 33.13 2fn5 s GLN 59 CO 0.41 -0.09 1.31 0.42 -0.55 0.00 0.00 175.29 176.79 2fn5 s ILE 60 N 1.01 4.01 -0.21 -2.34 -1.09 -0.53 -4.11 121.20 117.94 2fn5 s ILE 60 Ca -0.09 1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 59.19 2fn5 s ILE 60 Cb -0.14 -4.35 -0.19 0.00 -1.58 0.00 0.00 42.46 36.19 2fn5 s ILE 60 CO -0.00 -0.86 0.09 0.52 -1.23 0.00 0.00 174.94 173.46 2fn5 n VAL 61 N 7.01 1.58 -3.25 2.92 0.31 -1.00 -4.74 118.33 121.15 2fn5 n VAL 61 Ca 0.15 -0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 64.20 2fn5 n VAL 61 Cb 0.48 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.44 0.47 -0.15 5.55 2.12 0.57 -3.85 118.70 120.96 2fn5 s GLU 62 Ca -0.30 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.26 2fn5 s GLU 62 Cb 0.08 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 2fn5 s GLU 62 CO 0.60 -0.95 0.36 0.08 -0.54 0.00 0.00 175.26 174.81 2fn5 s VAL 63 N 2.66 5.26 -0.28 3.70 1.01 -1.26 -0.08 120.40 131.41 2fn5 s VAL 63 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2fn5 s VAL 63 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2fn5 s VAL 63 CO -0.26 0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.51 2fn5 n ASP 64 N 3.75 -5.14 0.00 3.32 2.03 0.08 -0.71 116.55 119.88 2fn5 n ASP 64 Ca -0.10 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2fn5 n ASP 64 Cb 0.52 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.04 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 -0.24 0.44 0.23 0.27 0.00 -1.26 -4.92 105.19 99.72 2fn5 n GLY 65 Ca -0.03 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.08 -6.12 -0.61 2.10 -1.23 -3.48 117.51 108.25 2fn5 h ILE 66 Ca 0.00 -0.93 -0.26 0.00 1.08 0.00 0.00 64.86 64.75 2fn5 h ILE 66 Cb 0.00 1.86 0.01 0.00 -1.09 0.00 0.00 36.82 37.60 2fn5 h ILE 66 CO 0.00 0.04 -0.85 -1.54 -1.08 0.00 0.00 178.15 174.73 2fn5 n SER 67 N -3.12 -6.29 -1.62 2.19 3.41 -1.26 -4.88 113.62 102.05 2fn5 n SER 67 Ca 0.03 -0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.37 2fn5 n SER 67 Cb 0.47 -3.10 0.07 0.00 -0.26 0.00 0.00 64.21 61.39 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 -0.96 5.05 -4.55 1.04 -0.00 -1.25 -4.87 117.00 111.46 2fn5 n LEU 68 Ca -0.07 -2.62 -0.33 0.00 -0.00 0.00 0.00 56.01 52.99 2fn5 n LEU 68 Cb 0.61 -0.74 -0.04 0.00 -0.00 0.00 0.00 43.42 43.25 2fn5 n LEU 68 CO 0.55 0.85 1.50 -0.69 -0.00 0.00 0.00 177.39 179.60 2fn5 s VAL 69 N -1.62 3.39 0.00 1.47 1.01 -1.26 -2.12 120.40 121.28 2fn5 s VAL 69 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2fn5 s VAL 69 Cb 0.22 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2fn5 s VAL 69 CO 0.04 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.83 2fn5 n GLY 70 N 6.19 1.27 4.00 4.51 0.00 -1.26 -4.75 105.19 115.14 2fn5 n GLY 70 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 2.05 0.54 1.61 -7.23 -0.90 -4.94 120.40 109.54 2fn5 s VAL 71 Ca 0.00 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2fn5 s VAL 71 Cb 0.00 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.58 2fn5 s VAL 71 CO 0.00 0.00 0.76 0.42 -0.31 0.00 0.00 175.10 175.97 2fn5 s THR 72 N -3.12 2.65 0.40 5.32 -4.23 -1.26 -4.70 115.64 110.71 2fn5 s THR 72 Ca 0.67 -0.73 0.09 0.00 -1.18 0.00 0.00 61.69 60.54 2fn5 s THR 72 Cb -0.04 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.16 2fn5 s THR 72 CO 0.44 0.00 2.00 0.06 -0.54 0.00 0.00 174.62 176.59 2fn5 h GLN 73 N 0.12 0.56 -0.25 3.99 -0.00 -1.92 -1.08 115.11 116.53 2fn5 h GLN 73 Ca -0.41 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.65 58.06 2fn5 h GLN 73 Cb 1.29 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.64 2fn5 h GLN 73 CO 0.49 0.37 -0.46 -2.95 -0.00 0.00 0.00 178.83 176.28 2fn5 h ASN 74 N 0.58 0.70 -0.03 0.06 7.08 -1.97 0.40 115.58 122.40 2fn5 h ASN 74 Ca 0.24 -0.34 -0.01 0.00 -3.08 0.00 0.00 56.30 53.11 2fn5 h ASN 74 Cb 0.22 -0.20 -0.00 0.00 -2.08 0.00 0.00 38.32 36.26 2fn5 h ASN 74 CO -0.07 1.06 -0.00 0.15 -2.08 0.00 0.00 177.43 176.48 2fn5 h PHE 75 N 0.52 0.07 -0.43 4.14 3.04 -1.78 -2.34 116.94 120.15 2fn5 h PHE 75 Ca 0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2fn5 h PHE 75 Cb 1.00 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 2fn5 h PHE 75 CO 0.05 0.39 0.27 0.00 -2.02 0.00 0.00 178.31 177.00 2fn5 h ALA 76 N 0.67 0.55 0.00 2.41 0.00 -1.06 -0.30 119.26 121.54 2fn5 h ALA 76 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fn5 h ALA 76 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fn5 h ALA 76 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2fn5 h ALA 77 N 1.14 1.00 0.09 0.00 0.00 -0.18 0.31 119.26 121.62 2fn5 h ALA 77 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 2fn5 h ALA 77 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2fn5 h ALA 77 CO -0.03 0.00 -1.29 1.15 0.00 0.00 0.00 179.25 179.08 2fn5 h THR 78 N 0.00 1.08 0.04 0.00 2.02 -0.71 -3.25 112.91 112.09 2fn5 h THR 78 Ca 0.00 -2.37 0.01 0.00 0.77 0.00 0.00 66.41 64.82 2fn5 h THR 78 Cb 0.17 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2fn5 h THR 78 CO 0.00 0.66 -0.09 0.58 0.37 0.00 0.00 175.52 177.03 2fn5 h VAL 79 N -0.43 0.77 0.00 3.16 2.07 0.33 0.25 116.25 122.40 2fn5 h VAL 79 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2fn5 h VAL 79 Cb 1.66 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2fn5 h VAL 79 CO 0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.80 2fn5 n LEU 80 N -5.22 0.00 -0.00 2.57 7.99 -0.04 -1.12 117.00 121.18 2fn5 n LEU 80 Ca -0.06 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.96 2fn5 n LEU 80 Cb 0.14 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.41 2fn5 n LEU 80 CO 0.30 0.00 -0.44 -1.14 -1.51 0.00 0.00 177.39 174.60 2fn5 n ARG 81 N -0.84 1.30 0.00 3.23 0.00 -0.22 -4.51 116.66 115.62 2fn5 n ARG 81 Ca 0.08 -0.04 0.12 0.00 -0.00 0.00 0.00 57.85 58.02 2fn5 n ARG 81 Cb 0.04 -1.05 0.24 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 -1.57 0.90 -4.69 6.15 5.03 0.70 -4.96 115.26 116.83 2fn5 n ASN 82 Ca -0.01 -0.70 -0.31 0.00 0.87 0.00 0.00 54.58 54.43 2fn5 n ASN 82 Cb 0.13 0.30 0.15 0.00 -1.02 0.00 0.00 39.78 39.34 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 -2.75 2.52 0.00 3.41 -4.23 -0.91 -5.06 115.64 108.62 2fn5 s THR 83 Ca 0.17 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2fn5 s THR 83 Cb 0.18 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2fn5 s THR 83 CO 0.63 -0.22 0.00 0.29 -0.54 0.00 0.00 174.62 174.78 2fn5 n LYS 84 N -4.04 2.99 0.32 3.99 4.76 -1.26 -4.87 118.16 120.05 2fn5 n LYS 84 Ca 0.10 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 2fn5 n LYS 84 Cb 0.53 0.00 -0.06 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 -0.90 -6.96 0.72 0.00 -1.81 -3.41 103.07 90.71 2fn5 h GLY 85 Ca 0.00 0.33 -0.55 0.00 0.00 0.00 0.00 47.33 47.11 2fn5 h GLY 85 CO 0.00 -0.33 1.07 -1.31 0.00 0.00 0.00 176.54 175.98 2fn5 s ASN 86 N -4.44 6.24 -0.07 0.19 -0.87 -1.25 0.73 114.94 115.46 2fn5 s ASN 86 Ca -0.13 0.45 0.04 0.00 -1.57 0.00 0.00 52.86 51.65 2fn5 s ASN 86 Cb 0.01 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2fn5 s ASN 86 CO 0.38 -1.59 -0.22 -0.69 -2.57 0.00 0.00 177.10 172.41 2fn5 s VAL 87 N 5.71 1.86 -0.61 1.60 1.01 0.62 -4.94 120.40 125.66 2fn5 s VAL 87 Ca 0.54 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2fn5 s VAL 87 Cb -0.11 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.82 2fn5 s VAL 87 CO 0.28 0.52 0.53 -0.13 0.00 0.00 0.00 175.10 176.30 2fn5 s ARG 88 N 0.18 3.00 -0.61 2.72 0.52 -1.26 0.21 118.95 123.71 2fn5 s ARG 88 Ca -0.12 -1.98 -0.23 0.00 -0.52 0.00 0.00 55.73 52.89 2fn5 s ARG 88 Cb -0.16 -4.21 0.06 0.00 0.52 0.00 0.00 34.95 31.16 2fn5 s ARG 88 CO 0.06 -1.28 0.95 -0.06 0.02 0.00 0.00 175.30 174.99 2fn5 s PHE 89 N 1.06 2.72 -0.89 -0.53 0.08 0.51 -0.74 117.98 120.19 2fn5 s PHE 89 Ca 0.08 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 56.63 2fn5 s PHE 89 Cb -0.23 -4.18 0.14 0.00 -0.57 0.00 0.00 43.02 38.17 2fn5 s PHE 89 CO -0.01 -1.52 1.06 0.08 -0.10 0.00 0.00 175.22 174.72 2fn5 s VAL 90 N 4.02 4.83 0.19 -0.44 1.01 0.89 0.42 120.40 131.31 2fn5 s VAL 90 Ca 0.26 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.67 2fn5 s VAL 90 Cb -0.15 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2fn5 s VAL 90 CO 0.14 -1.43 0.20 -0.63 0.00 0.00 0.00 175.10 173.38 2fn5 s ILE 91 N 2.43 4.71 0.24 2.22 1.01 -0.40 -0.31 121.20 131.09 2fn5 s ILE 91 Ca 0.29 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2fn5 s ILE 91 Cb -0.07 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2fn5 s ILE 91 CO -0.08 -0.18 0.02 -0.83 0.00 0.00 0.00 174.94 173.88 2fn5 s GLY 92 N -3.37 1.62 -0.03 6.18 0.00 -1.26 0.15 107.32 110.62 2fn5 s GLY 92 Ca 0.32 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.20 2fn5 s GLY 92 CO 0.25 -1.66 0.09 -1.60 0.00 0.00 0.00 173.10 170.18 2fn5 s ARG 93 N -3.90 0.15 0.00 2.90 3.52 0.26 -4.64 118.95 117.24 2fn5 s ARG 93 Ca 0.31 0.05 0.26 0.00 -0.13 0.00 0.00 55.73 56.22 2fn5 s ARG 93 Cb 0.06 0.07 0.70 0.00 -1.56 0.00 0.00 34.95 34.23 2fn5 s ARG 93 CO 0.10 -0.02 1.55 0.39 -0.81 0.00 0.00 175.30 176.51