#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 1.47 -0.14 1.61 5.65 -1.26 -5.12 115.29 117.50 2fn5 s HIS 2 Ca 0.00 -0.60 -0.18 0.00 0.25 0.00 0.00 55.06 54.53 2fn5 s HIS 2 Cb 0.00 -1.12 -0.04 0.00 -1.18 0.00 0.00 32.58 30.24 2fn5 s HIS 2 CO 0.00 -0.35 0.49 1.41 -0.65 0.00 0.00 174.74 175.65 2fn5 s MET 3 N 0.95 4.31 -0.46 2.88 -2.45 -1.26 -4.70 119.30 118.57 2fn5 s MET 3 Ca -0.09 0.46 -0.23 0.00 -1.25 0.00 0.00 55.69 54.57 2fn5 s MET 3 Cb -0.15 -3.47 0.03 0.00 1.25 0.00 0.00 34.83 32.49 2fn5 s MET 3 CO 0.00 0.08 0.80 -2.00 1.05 0.00 0.00 175.02 174.96 2fn5 s GLU 4 N 0.87 3.39 -0.15 4.11 2.12 0.74 -4.88 118.70 124.90 2fn5 s GLU 4 Ca 0.26 -0.14 -0.18 0.00 0.36 0.00 0.00 54.97 55.27 2fn5 s GLU 4 Cb -0.15 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2fn5 s GLU 4 CO 0.10 -1.16 0.49 -0.51 -0.54 0.00 0.00 175.26 173.65 2fn5 s LEU 5 N 3.35 4.23 -0.02 2.70 2.01 -1.26 -1.09 118.68 128.61 2fn5 s LEU 5 Ca 0.30 0.77 0.02 0.00 0.01 0.00 0.00 54.13 55.23 2fn5 s LEU 5 Cb -0.12 -2.70 -0.00 0.00 0.01 0.00 0.00 46.19 43.37 2fn5 s LEU 5 CO 0.22 -0.07 -0.08 0.72 1.01 0.00 0.00 176.35 178.15 2fn5 s PHE 6 N 1.00 0.81 -0.21 0.29 -0.12 0.19 -4.96 117.98 114.98 2fn5 s PHE 6 Ca 0.25 -0.18 -0.25 0.00 -0.05 0.00 0.00 56.93 56.70 2fn5 s PHE 6 Cb -0.15 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 2fn5 s PHE 6 CO 0.10 -0.06 0.85 -1.25 -0.05 0.00 0.00 175.22 174.81 2fn5 s PRO 7 N 0.04 4.24 -0.45 1.99 0.04 -1.26 -1.06 135.00 138.54 2fn5 s PRO 7 Ca -0.00 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.02 2fn5 s PRO 7 Cb -0.06 -3.61 0.12 0.00 0.04 0.00 0.00 34.50 30.99 2fn5 s PRO 7 CO 0.00 -0.44 0.26 0.08 0.04 0.00 0.00 177.00 176.94 2fn5 s VAL 8 N 2.56 3.48 -0.67 -0.36 1.01 0.15 -4.90 120.40 121.68 2fn5 s VAL 8 Ca 0.37 -2.17 -0.25 0.00 0.00 0.00 0.00 61.98 59.93 2fn5 s VAL 8 Cb -0.16 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2fn5 s VAL 8 CO 0.10 -0.73 1.11 -0.70 0.00 0.00 0.00 175.10 174.87 2fn5 s GLU 9 N 0.98 3.22 -0.08 2.72 2.12 -1.24 0.03 118.70 126.44 2fn5 s GLU 9 Ca 0.09 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 54.86 2fn5 s GLU 9 Cb -0.23 -4.16 -0.05 0.00 0.26 0.00 0.00 34.13 29.95 2fn5 s GLU 9 CO -0.04 -1.88 0.42 -1.17 -0.54 0.00 0.00 175.26 172.05 2fn5 s LEU 10 N 4.80 4.34 -0.73 2.70 1.98 0.13 -4.84 118.68 127.06 2fn5 s LEU 10 Ca 0.31 0.81 -0.14 0.00 -2.89 0.00 0.00 54.13 52.22 2fn5 s LEU 10 Cb -0.12 -2.59 0.19 0.00 0.66 0.00 0.00 46.19 44.33 2fn5 s LEU 10 CO 0.15 0.14 0.66 -0.70 -1.89 0.00 0.00 176.35 174.71 2fn5 s GLU 11 N -0.03 3.33 0.40 1.98 2.12 -1.26 -0.49 118.70 124.76 2fn5 s GLU 11 Ca 0.23 -2.25 0.00 0.00 0.36 0.00 0.00 54.97 53.31 2fn5 s GLU 11 Cb -0.15 -4.33 0.08 0.00 0.26 0.00 0.00 34.13 29.99 2fn5 s GLU 11 CO 0.10 -1.29 0.55 1.63 -0.54 0.00 0.00 175.26 175.72 2fn5 n LYS 12 N 4.29 0.25 -1.71 4.30 4.76 0.12 -4.92 118.16 125.25 2fn5 n LYS 12 Ca 0.06 -1.54 -0.30 0.00 -2.87 0.00 0.00 58.31 53.66 2fn5 n LYS 12 Cb 0.44 -0.36 0.19 0.00 -1.84 0.00 0.00 35.03 33.46 2fn5 n LYS 12 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2fn5 s ASP 13 N -3.27 2.78 0.00 4.39 1.47 -1.26 -4.45 116.67 116.34 2fn5 s ASP 13 Ca 0.37 0.45 0.29 0.00 1.18 0.00 0.00 52.55 54.84 2fn5 s ASP 13 Cb -0.02 -0.62 1.24 0.00 -0.34 0.00 0.00 42.92 43.18 2fn5 s ASP 13 CO 0.24 -2.96 1.88 -1.84 0.68 0.00 0.00 175.17 173.18 2fn5 n GLU 14 N -3.95 0.40 0.09 2.11 0.28 -1.26 -2.99 120.64 115.31 2fn5 n GLU 14 Ca 0.13 -0.09 -0.23 0.00 -0.16 0.00 0.00 57.16 56.81 2fn5 n GLU 14 Cb 0.60 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.82 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 0.23 0.63 0.00 -1.84 1.82 -1.95 -3.46 116.42 111.85 2fn5 h ASP 15 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 2fn5 h ASP 15 Cb 0.38 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2fn5 h ASP 15 CO 0.00 1.62 0.00 0.61 -1.61 0.00 0.00 179.24 179.86 2fn5 n GLY 16 N 1.73 0.63 0.29 -0.78 0.00 -1.16 -4.88 105.19 101.02 2fn5 n GLY 16 Ca -0.18 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 2.05 -1.06 0.99 4.77 -1.26 -4.00 117.00 118.48 2fn5 n LEU 17 Ca 0.00 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 2fn5 n LEU 17 Cb 0.00 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 2fn5 n LEU 17 CO 0.00 0.54 -0.12 0.61 -1.33 0.00 0.00 177.39 177.09 2fn5 n GLY 18 N 2.37 0.15 2.75 -0.72 0.00 -1.26 -4.37 105.19 104.11 2fn5 n GLY 18 Ca -0.29 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.81 0.00 -3.90 -0.61 -5.35 -1.26 -2.76 119.36 101.68 2fn5 n ILE 19 Ca -0.11 -1.50 -0.10 0.00 -0.27 0.00 0.00 62.75 60.76 2fn5 n ILE 19 Cb 0.55 -0.33 -0.10 0.00 -1.74 0.00 0.00 39.64 38.02 2fn5 n ILE 19 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2fn5 s SER 20 N -3.40 0.09 0.26 7.28 0.01 0.48 -4.94 113.70 113.48 2fn5 s SER 20 Ca 0.30 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.29 2fn5 s SER 20 Cb -0.02 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 2fn5 s SER 20 CO 0.19 -0.42 -0.10 0.27 0.41 0.00 0.00 173.24 173.58 2fn5 s ILE 21 N -1.86 1.80 -0.04 1.44 -5.25 -1.26 -0.17 121.20 115.86 2fn5 s ILE 21 Ca -0.11 -2.19 0.01 0.00 -0.99 0.00 0.00 60.65 57.37 2fn5 s ILE 21 Cb -0.05 -2.31 0.02 0.00 2.95 0.00 0.00 42.46 43.07 2fn5 s ILE 21 CO -0.01 -0.40 -0.04 -0.51 -1.79 0.00 0.00 174.94 172.18 2fn5 s ILE 22 N -2.92 0.52 -0.49 8.37 2.07 0.62 -4.48 121.20 124.88 2fn5 s ILE 22 Ca 0.27 -0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 59.22 2fn5 s ILE 22 Cb 0.01 -0.54 0.07 0.00 0.13 0.00 0.00 42.46 42.14 2fn5 s ILE 22 CO 0.11 0.21 0.48 -0.83 -1.91 0.00 0.00 174.94 173.01 2fn5 s GLY 23 N 0.84 1.95 -0.32 1.50 0.00 -1.26 -0.90 107.32 109.13 2fn5 s GLY 23 Ca -0.11 -2.02 0.01 0.00 0.00 0.00 0.00 44.72 42.60 2fn5 s GLY 23 CO 0.00 1.21 0.32 -3.16 0.00 0.00 0.00 173.10 171.47 2fn5 s MET 24 N 1.98 0.44 -0.41 2.90 0.23 0.89 -4.90 119.30 120.43 2fn5 s MET 24 Ca 0.08 -0.43 -0.33 0.00 -1.03 0.00 0.00 55.69 53.98 2fn5 s MET 24 Cb -0.23 -0.70 -0.11 0.00 -1.53 0.00 0.00 34.83 32.26 2fn5 s MET 24 CO 0.08 -1.09 2.27 0.41 -2.03 0.00 0.00 175.02 174.66 2fn5 n GLY 25 N 4.91 0.42 3.56 3.16 0.00 -1.26 -4.07 105.19 111.91 2fn5 n GLY 25 Ca 0.03 0.89 -0.34 0.00 0.00 0.00 0.00 46.02 46.61 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 8.30 3.70 0.00 1.61 0.11 -1.26 -4.70 120.40 128.16 2fn5 s VAL 26 Ca 1.09 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2fn5 s VAL 26 Cb -0.73 -4.57 0.00 0.00 -1.53 0.00 0.00 36.38 29.55 2fn5 s VAL 26 CO 0.44 -1.44 0.00 0.61 -3.33 0.00 0.00 175.10 171.39 2fn5 n GLY 27 N 6.67 1.56 2.38 6.54 0.00 -1.26 -4.57 105.19 116.51 2fn5 n GLY 27 Ca 0.38 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 0.05 -0.40 -0.10 4.61 0.00 -1.26 -4.88 120.51 118.52 2fn5 n ALA 28 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 2fn5 n ALA 28 Cb 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 2fn5 n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fn5 n ASP 29 N -1.01 2.19 0.24 0.00 2.03 -1.26 -4.47 116.55 114.27 2fn5 n ASP 29 Ca -0.19 -0.02 0.07 0.00 0.52 0.00 0.00 54.79 55.17 2fn5 n ASP 29 Cb 0.61 -0.40 0.57 0.00 -0.72 0.00 0.00 41.12 41.18 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fn5 h ALA 30 N -0.19 1.78 0.00 -1.67 0.00 -1.91 -3.46 119.26 113.81 2fn5 h ALA 30 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2fn5 h ALA 30 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2fn5 h ALA 30 CO -0.14 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2fn5 n GLY 31 N -1.19 2.26 0.12 0.00 0.00 -1.26 -4.95 105.19 100.16 2fn5 n GLY 31 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.30 -2.78 0.99 4.07 -1.91 -3.48 115.31 112.50 2fn5 h LEU 32 Ca 0.00 -0.39 -0.15 0.00 0.08 0.00 0.00 57.88 57.42 2fn5 h LEU 32 Cb 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.66 2fn5 h LEU 32 CO 0.00 0.62 -0.46 -0.62 -1.08 0.00 0.00 178.44 176.90 2fn5 n GLU 33 N -4.68 -1.63 -3.88 1.13 1.02 -1.26 -5.03 120.64 106.31 2fn5 n GLU 33 Ca -0.06 1.44 -0.26 0.00 -0.02 0.00 0.00 57.16 58.27 2fn5 n GLU 33 Cb 0.27 -4.61 -0.01 0.00 -0.02 0.00 0.00 31.44 27.08 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 -3.33 2.27 1.18 3.49 -2.85 -1.26 -5.03 119.74 114.21 2fn5 s LYS 34 Ca 0.08 -1.98 -0.16 0.00 -1.00 0.00 0.00 55.97 52.91 2fn5 s LYS 34 Cb -0.02 -2.11 0.22 0.00 -2.06 0.00 0.00 37.83 33.86 2fn5 s LYS 34 CO 0.80 -0.57 0.51 1.47 0.10 0.00 0.00 175.35 177.66 2fn5 n LEU 35 N -1.73 -2.03 -1.40 2.77 -0.00 -1.26 -4.47 117.00 108.89 2fn5 n LEU 35 Ca -0.01 -0.23 0.02 0.00 -0.00 0.00 0.00 56.01 55.78 2fn5 n LEU 35 Cb 0.64 -1.08 0.09 0.00 -0.00 0.00 0.00 43.42 43.07 2fn5 n LEU 35 CO 0.39 -3.32 0.16 0.61 -0.00 0.00 0.00 177.39 175.24 2fn5 n GLY 36 N 1.62 2.93 3.43 1.47 0.00 -1.26 -4.18 105.19 109.20 2fn5 n GLY 36 Ca 0.02 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.92 4.52 0.34 -0.61 -1.09 -1.25 -0.08 121.20 121.11 2fn5 s ILE 37 Ca 0.36 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2fn5 s ILE 37 Cb 0.38 -4.65 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2fn5 s ILE 37 CO -0.10 -1.38 0.51 -0.36 -1.23 0.00 0.00 174.94 172.38 2fn5 s PHE 38 N 3.50 3.32 -0.16 3.97 0.08 -0.08 -2.48 117.98 126.12 2fn5 s PHE 38 Ca 0.21 0.08 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 2fn5 s PHE 38 Cb -0.17 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2fn5 s PHE 38 CO 0.06 0.05 1.04 0.08 -0.10 0.00 0.00 175.22 176.35 2fn5 s VAL 39 N -2.25 4.70 -0.15 -0.44 1.01 -0.34 -0.28 120.40 122.65 2fn5 s VAL 39 Ca 0.42 2.01 -0.28 0.00 0.00 0.00 0.00 61.98 64.13 2fn5 s VAL 39 Cb -0.10 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 2fn5 s VAL 39 CO 0.33 -0.09 0.71 0.50 0.00 0.00 0.00 175.10 176.55 2fn5 h LYS 40 N 7.31 0.00 -3.36 2.72 1.63 -0.78 -3.43 116.57 120.65 2fn5 h LYS 40 Ca -0.25 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.50 2fn5 h LYS 40 Cb 1.11 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.62 2fn5 h LYS 40 CO 0.92 1.00 -0.04 0.99 -3.45 0.00 0.00 179.45 178.87 2fn5 s THR 41 N -2.24 0.05 0.03 1.00 2.01 -0.96 -4.95 115.64 110.58 2fn5 s THR 41 Ca -0.20 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2fn5 s THR 41 Cb -0.02 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2fn5 s THR 41 CO 0.68 -0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 2fn5 s VAL 42 N -3.82 0.48 0.20 3.82 1.01 -1.26 -0.39 120.40 120.44 2fn5 s VAL 42 Ca 0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 2fn5 s VAL 42 Cb 0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 2fn5 s VAL 42 CO -0.10 -0.27 1.46 1.07 0.00 0.00 0.00 175.10 177.26 2fn5 n THR 43 N 1.84 0.58 0.26 3.92 5.66 -1.11 -4.89 114.28 120.53 2fn5 n THR 43 Ca -0.20 -0.14 -0.17 0.00 -3.05 0.00 0.00 64.05 60.48 2fn5 n THR 43 Cb 0.56 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 67.80 2fn5 n THR 43 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2fn5 h GLU 44 N 4.79 -0.85 -0.31 1.09 4.57 -1.95 -3.37 114.58 118.55 2fn5 h GLU 44 Ca -0.45 0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 57.57 2fn5 h GLU 44 Cb 1.27 0.19 -0.34 0.00 -0.16 0.00 0.00 28.75 29.71 2fn5 h GLU 44 CO 0.80 -0.56 -0.93 0.41 -1.18 0.00 0.00 179.01 177.55 2fn5 n GLY 45 N -1.52 1.78 0.10 1.92 0.00 -1.26 -4.49 105.19 101.71 2fn5 n GLY 45 Ca -0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2fn5 n GLY 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fn5 h GLY 46 N 2.16 0.23 0.00 -0.02 0.00 -1.94 -3.47 103.07 100.04 2fn5 h GLY 46 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2fn5 h GLY 46 CO 0.09 0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.75 2fn5 n ALA 47 N -2.22 0.00 0.20 3.60 0.00 -1.26 -4.92 120.51 115.91 2fn5 n ALA 47 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 2fn5 n ALA 47 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 -0.51 0.00 0.00 0.00 -1.90 0.21 119.26 117.06 2fn5 h ALA 48 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2fn5 h ALA 48 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fn5 h ALA 48 CO 0.00 -0.67 0.00 1.04 0.00 0.00 0.00 179.25 179.62 2fn5 n GLN 49 N -5.22 0.18 0.06 0.00 6.02 -1.26 -2.20 117.38 114.96 2fn5 n GLN 49 Ca -0.10 0.07 0.05 0.00 -0.01 0.00 0.00 57.00 57.00 2fn5 n GLN 49 Cb 0.27 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 2fn5 n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2fn5 n ARG 50 N -1.39 0.62 0.27 -1.09 5.12 -0.86 -3.86 116.66 115.47 2fn5 n ARG 50 Ca 0.09 0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 56.02 2fn5 n ARG 50 Cb 0.24 -1.81 -0.08 0.00 -1.16 0.00 0.00 32.46 29.65 2fn5 n ARG 50 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2fn5 h ASP 51 N 0.00 -0.54 0.00 0.55 1.82 -0.12 -3.48 116.42 114.65 2fn5 h ASP 51 Ca -0.10 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2fn5 h ASP 51 Cb 1.34 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.49 2fn5 h ASP 51 CO 0.03 -0.35 0.00 0.61 -1.61 0.00 0.00 179.24 177.92 2fn5 n GLY 52 N -1.22 2.61 0.15 -0.78 0.00 -1.19 -4.90 105.19 99.85 2fn5 n GLY 52 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2fn5 n GLY 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2fn5 h ARG 53 N 0.76 0.12 -5.99 1.61 1.12 -1.92 -3.43 114.38 106.65 2fn5 h ARG 53 Ca 0.00 -0.10 -0.61 0.00 -1.11 0.00 0.00 59.98 58.17 2fn5 h ARG 53 Cb 0.00 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 2fn5 h ARG 53 CO 0.00 0.74 -0.37 -1.50 -3.11 0.00 0.00 179.97 175.72 2fn5 s ILE 54 N -3.59 5.26 0.13 1.20 2.07 -1.26 -5.07 121.20 119.93 2fn5 s ILE 54 Ca -0.03 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2fn5 s ILE 54 Cb 0.12 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.07 2fn5 s ILE 54 CO 0.79 0.23 -0.02 -1.10 -1.91 0.00 0.00 174.94 172.93 2fn5 s GLN 55 N -2.13 0.93 0.26 3.50 -0.21 -1.26 -4.72 119.66 116.02 2fn5 s GLN 55 Ca 0.33 -1.41 0.25 0.00 0.02 0.00 0.00 55.36 54.55 2fn5 s GLN 55 Cb -0.13 -0.11 0.88 0.00 1.00 0.00 0.00 33.01 34.65 2fn5 s GLN 55 CO 0.20 -0.11 1.75 -0.24 -2.12 0.00 0.00 175.29 174.78 2fn5 h VAL 56 N 2.87 0.00 -0.56 1.09 3.04 -1.94 -3.10 116.25 117.65 2fn5 h VAL 56 Ca -0.36 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2fn5 h VAL 56 Cb 1.18 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2fn5 h VAL 56 CO 0.63 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.73 2fn5 n ASN 57 N -2.35 3.00 -2.78 3.17 2.04 -1.26 -4.25 115.26 112.82 2fn5 n ASN 57 Ca 0.04 -2.00 -0.06 0.00 -0.44 0.00 0.00 54.58 52.13 2fn5 n ASN 57 Cb 0.35 -0.37 0.02 0.00 -2.53 0.00 0.00 39.78 37.26 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2fn5 n ASP 58 N 1.14 0.52 -3.92 0.53 8.00 -1.17 -4.91 116.55 116.75 2fn5 n ASP 58 Ca 0.19 -1.39 -0.19 0.00 0.71 0.00 0.00 54.79 54.11 2fn5 n ASP 58 Cb 0.47 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.84 0.68 -0.33 -1.24 0.74 -1.26 -1.20 119.66 114.20 2fn5 s GLN 59 Ca 0.17 -0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.16 2fn5 s GLN 59 Cb -0.01 -0.69 0.01 0.00 1.10 0.00 0.00 33.01 33.42 2fn5 s GLN 59 CO 0.11 -0.01 1.17 0.42 -0.55 0.00 0.00 175.29 176.43 2fn5 s ILE 60 N 0.56 4.33 -0.23 -2.34 -1.09 -1.03 -4.13 121.20 117.26 2fn5 s ILE 60 Ca -0.07 1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 59.68 2fn5 s ILE 60 Cb -0.11 -4.34 -0.14 0.00 -1.58 0.00 0.00 42.46 36.30 2fn5 s ILE 60 CO -0.00 -0.54 -0.09 0.52 -1.23 0.00 0.00 174.94 173.60 2fn5 n VAL 61 N 6.11 1.52 -3.44 2.92 0.31 -0.90 -4.65 118.33 120.20 2fn5 n VAL 61 Ca 0.13 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2fn5 n VAL 61 Cb 0.47 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.45 0.25 -0.21 5.55 2.12 0.85 -1.35 118.70 123.46 2fn5 s GLU 62 Ca -0.31 0.33 -0.08 0.00 0.36 0.00 0.00 54.97 55.27 2fn5 s GLU 62 Cb 0.09 -0.93 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 2fn5 s GLU 62 CO 0.50 -0.65 0.09 0.08 -0.54 0.00 0.00 175.26 174.74 2fn5 s VAL 63 N 2.41 4.81 -1.49 3.70 1.01 -1.26 0.31 120.40 129.90 2fn5 s VAL 63 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2fn5 s VAL 63 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2fn5 s VAL 63 CO -0.14 0.40 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 2fn5 n ASP 64 N 4.03 -5.36 0.00 3.32 2.03 -0.12 -0.69 116.55 119.76 2fn5 n ASP 64 Ca -0.16 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2fn5 n ASP 64 Cb 0.52 -4.10 0.00 0.00 -0.72 0.00 0.00 41.12 36.82 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 -0.37 0.62 0.16 0.27 0.00 -1.26 -4.91 105.19 99.70 2fn5 n GLY 65 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.99 -0.61 2.10 -1.24 -3.48 117.51 108.29 2fn5 h ILE 66 Ca 0.00 -0.50 -0.22 0.00 1.08 0.00 0.00 64.86 65.22 2fn5 h ILE 66 Cb 0.00 1.42 0.01 0.00 -1.09 0.00 0.00 36.82 37.17 2fn5 h ILE 66 CO 0.00 0.00 -0.89 -1.20 -1.08 0.00 0.00 178.15 174.98 2fn5 n SER 67 N -2.56 -6.59 -1.21 2.19 7.64 -1.26 -4.90 113.62 106.94 2fn5 n SER 67 Ca 0.03 0.13 0.09 0.00 1.01 0.00 0.00 58.87 60.14 2fn5 n SER 67 Cb 0.37 -3.33 0.28 0.00 -1.01 0.00 0.00 64.21 60.52 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fn5 n LEU 68 N -0.29 3.51 -4.55 -3.43 -0.00 -1.02 -4.83 117.00 106.39 2fn5 n LEU 68 Ca 0.00 -1.76 -0.19 0.00 -0.00 0.00 0.00 56.01 54.06 2fn5 n LEU 68 Cb 0.59 -0.45 -0.07 0.00 -0.00 0.00 0.00 43.42 43.48 2fn5 n LEU 68 CO 0.53 0.76 1.47 0.55 -0.00 0.00 0.00 177.39 180.70 2fn5 n VAL 69 N 1.14 -0.02 0.00 1.47 3.14 -0.46 -1.47 118.33 122.13 2fn5 n VAL 69 Ca 0.21 -0.55 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2fn5 n VAL 69 Cb 0.60 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.38 2fn5 n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fn5 n GLY 70 N 6.55 1.73 3.98 7.55 0.00 -1.26 -4.83 105.19 118.91 2fn5 n GLY 70 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 2.13 0.57 1.61 -7.23 -0.54 -4.95 120.40 110.00 2fn5 s VAL 71 Ca 0.00 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2fn5 s VAL 71 Cb 0.00 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.69 2fn5 s VAL 71 CO 0.00 0.00 0.80 0.42 -0.31 0.00 0.00 175.10 176.01 2fn5 s THR 72 N -2.65 2.57 0.42 5.32 -4.23 -1.26 -4.72 115.64 111.09 2fn5 s THR 72 Ca 0.52 -0.68 0.17 0.00 -1.18 0.00 0.00 61.69 60.51 2fn5 s THR 72 Cb -0.05 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.10 2fn5 s THR 72 CO 0.32 0.00 1.97 0.06 -0.54 0.00 0.00 174.62 176.43 2fn5 h GLN 73 N 0.00 0.00 -0.02 3.99 -0.00 -1.92 -0.45 115.11 116.71 2fn5 h GLN 73 Ca -0.40 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.13 2fn5 h GLN 73 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.75 2fn5 h GLN 73 CO 0.49 0.21 -0.54 -2.95 -0.00 0.00 0.00 178.83 176.04 2fn5 h ASN 74 N 0.00 0.05 0.03 0.06 7.08 -1.99 0.16 115.58 120.97 2fn5 h ASN 74 Ca -0.00 -0.02 -0.00 0.00 -3.08 0.00 0.00 56.30 53.19 2fn5 h ASN 74 Cb 0.40 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 2fn5 h ASN 74 CO 0.03 0.58 -0.01 0.15 -2.08 0.00 0.00 177.43 176.09 2fn5 h PHE 75 N 0.03 -0.03 -0.18 4.14 3.04 -1.68 -3.14 116.94 119.12 2fn5 h PHE 75 Ca -0.00 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.98 2fn5 h PHE 75 Cb 0.96 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.45 2fn5 h PHE 75 CO 0.00 0.67 -0.05 0.00 -2.02 0.00 0.00 178.31 176.91 2fn5 h ALA 76 N -0.10 0.11 -0.68 2.41 0.00 -1.00 -1.61 119.26 118.39 2fn5 h ALA 76 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2fn5 h ALA 76 Cb 0.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2fn5 h ALA 76 CO 0.01 -0.49 0.45 0.00 0.00 0.00 0.00 179.25 179.22 2fn5 h ALA 77 N 1.16 1.59 -0.60 0.00 0.00 -0.83 0.49 119.26 121.07 2fn5 h ALA 77 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2fn5 h ALA 77 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2fn5 h ALA 77 CO -0.19 0.35 0.26 1.15 0.00 0.00 0.00 179.25 180.82 2fn5 h THR 78 N 0.84 1.22 0.14 0.00 2.02 -1.30 0.50 112.91 116.34 2fn5 h THR 78 Ca 0.26 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2fn5 h THR 78 Cb 0.02 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2fn5 h THR 78 CO -0.07 0.26 -0.07 0.58 0.37 0.00 0.00 175.52 176.60 2fn5 h VAL 79 N 0.83 0.96 0.00 3.16 2.07 -0.20 0.75 116.25 123.82 2fn5 h VAL 79 Ca 0.20 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2fn5 h VAL 79 Cb 0.17 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2fn5 h VAL 79 CO -0.02 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 2fn5 h LEU 80 N -0.41 0.00 0.00 2.57 -0.00 -0.86 0.29 115.31 116.90 2fn5 h LEU 80 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.69 2fn5 h LEU 80 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 2fn5 h LEU 80 CO 0.03 0.00 -1.22 -0.09 -0.00 0.00 0.00 178.44 177.17 2fn5 h ARG 81 N 0.00 0.00 -0.21 1.13 1.12 -0.44 -3.34 114.38 112.64 2fn5 h ARG 81 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2fn5 h ARG 81 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2fn5 h ARG 81 CO 0.00 0.41 0.00 0.09 -3.11 0.00 0.00 179.97 177.36 2fn5 n ASN 82 N -3.02 1.57 -3.49 -3.80 3.02 0.22 -4.88 115.26 104.88 2fn5 n ASN 82 Ca -0.07 -1.78 -0.25 0.00 -0.03 0.00 0.00 54.58 52.45 2fn5 n ASN 82 Cb 0.85 -0.13 0.19 0.00 -0.61 0.00 0.00 39.78 40.08 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2fn5 n THR 83 N 0.28 0.00 -2.59 3.41 -2.24 -0.98 -5.05 114.28 107.12 2fn5 n THR 83 Ca 0.14 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2fn5 n THR 83 Cb 0.29 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2fn5 n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2fn5 n LYS 84 N -3.83 0.00 0.00 -0.78 -0.00 -1.26 -4.91 118.16 107.38 2fn5 n LYS 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2fn5 n LYS 84 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fn5 n GLY 85 N 0.00 -2.99 3.54 2.58 0.00 -1.19 -4.29 105.19 102.83 2fn5 n GLY 85 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2fn5 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fn5 s ASN 86 N -2.54 6.35 -0.07 1.61 -0.87 -1.25 0.12 114.94 118.30 2fn5 s ASN 86 Ca 0.00 -0.22 0.03 0.00 -1.57 0.00 0.00 52.86 51.10 2fn5 s ASN 86 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 2fn5 s ASN 86 CO 0.00 -1.43 -0.15 -0.69 -2.57 0.00 0.00 177.10 172.26 2fn5 s VAL 87 N 4.62 2.96 -0.57 1.60 1.01 0.35 -4.90 120.40 125.47 2fn5 s VAL 87 Ca 0.36 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2fn5 s VAL 87 Cb -0.10 -2.17 0.14 0.00 0.00 0.00 0.00 36.38 34.25 2fn5 s VAL 87 CO 0.21 0.58 0.54 -0.13 0.00 0.00 0.00 175.10 176.29 2fn5 s ARG 88 N -0.46 3.05 -0.59 2.72 0.52 -1.26 0.20 118.95 123.14 2fn5 s ARG 88 Ca 0.06 -1.76 -0.20 0.00 -0.52 0.00 0.00 55.73 53.31 2fn5 s ARG 88 Cb -0.12 -4.31 0.08 0.00 0.52 0.00 0.00 34.95 31.12 2fn5 s ARG 88 CO 0.02 -1.34 0.78 -0.06 0.02 0.00 0.00 175.30 174.72 2fn5 s PHE 89 N 1.54 2.90 -0.77 -0.53 0.08 0.10 -0.94 117.98 120.36 2fn5 s PHE 89 Ca 0.05 -0.70 -0.19 0.00 0.12 0.00 0.00 56.93 56.21 2fn5 s PHE 89 Cb -0.28 -4.01 0.12 0.00 -0.57 0.00 0.00 43.02 38.29 2fn5 s PHE 89 CO 0.02 -1.35 0.92 0.08 -0.10 0.00 0.00 175.22 174.79 2fn5 s VAL 90 N 3.15 4.81 0.30 -0.44 1.01 0.15 0.35 120.40 129.73 2fn5 s VAL 90 Ca 0.16 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.90 2fn5 s VAL 90 Cb -0.20 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 2fn5 s VAL 90 CO 0.09 -1.32 0.25 -0.63 0.00 0.00 0.00 175.10 173.50 2fn5 s ILE 91 N 2.57 3.84 0.08 2.22 1.01 -0.22 -0.11 121.20 130.59 2fn5 s ILE 91 Ca 0.22 -1.40 -0.00 0.00 0.00 0.00 0.00 60.65 59.47 2fn5 s ILE 91 Cb -0.13 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2fn5 s ILE 91 CO -0.01 -0.24 -0.02 -0.83 0.00 0.00 0.00 174.94 173.84 2fn5 s GLY 92 N -3.93 0.65 -0.02 6.18 0.00 -1.26 0.54 107.32 109.49 2fn5 s GLY 92 Ca 0.38 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 2fn5 s GLY 92 CO 0.26 -1.36 0.08 -1.60 0.00 0.00 0.00 173.10 170.48 2fn5 s ARG 93 N -3.93 0.23 0.00 2.90 3.52 -0.25 -4.67 118.95 116.76 2fn5 s ARG 93 Ca 0.12 -0.13 0.31 0.00 -0.13 0.00 0.00 55.73 55.90 2fn5 s ARG 93 Cb 0.07 0.10 1.69 0.00 -1.56 0.00 0.00 34.95 35.25 2fn5 s ARG 93 CO -0.06 -0.04 2.10 -0.85 -0.81 0.00 0.00 175.30 175.64