#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n LEU 5 N 0.00 -0.54 0.00 -3.43 -0.00 -1.26 -5.07 117.00 106.70 3f1g n LEU 5 Ca 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.16 3f1g n LEU 5 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.15 3f1g n LEU 5 CO 0.00 -0.83 0.00 2.29 -0.00 0.00 0.00 177.39 178.85 3f1g n LYS 6 N -2.83 0.00 -3.17 1.96 0.00 -1.26 -5.08 118.16 107.78 3f1g n LYS 6 Ca -0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.83 3f1g n LYS 6 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.26 3f1g n LYS 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3f1g s LYS 7 N -1.91 3.08 0.00 -1.58 3.01 -1.26 -4.61 119.74 116.46 3f1g s LYS 7 Ca 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 55.97 53.84 3f1g s LYS 7 Cb 0.00 -4.17 0.00 0.00 -1.01 0.00 0.00 37.83 32.65 3f1g s LYS 7 CO 0.00 -1.31 0.00 0.41 0.51 0.00 0.00 175.35 174.96 3f1g n GLY 8 N 5.22 -1.01 3.55 -3.33 0.00 -1.26 -4.91 105.19 103.44 3f1g n GLY 8 Ca -0.08 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3f1g n GLY 8 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3f1g n VAL 9 N -0.22 -0.07 -0.96 1.61 0.24 -1.26 -4.87 118.33 112.79 3f1g n VAL 9 Ca 0.00 -0.74 -0.34 0.00 -2.04 0.00 0.00 64.34 61.22 3f1g n VAL 9 Cb 0.00 -2.61 0.11 0.00 -1.47 0.00 0.00 33.84 29.86 3f1g n VAL 9 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 3f1g n PHE 10 N 16.09 -0.93 0.00 6.34 -1.74 -1.26 -4.90 117.46 131.05 3f1g n PHE 10 Ca 0.40 0.29 0.00 0.00 -0.56 0.00 0.00 57.45 57.57 3f1g n PHE 10 Cb 0.51 -1.86 0.00 0.00 1.52 0.00 0.00 39.48 39.65 3f1g n PHE 10 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 3f1g n VAL 11 N -3.24 0.00 -2.57 1.97 3.14 -1.26 -3.19 118.33 113.18 3f1g n VAL 11 Ca 0.08 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.05 3f1g n VAL 11 Cb 0.52 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.27 3f1g n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3f1g s ASP 12 N 0.00 7.27 0.12 6.55 -0.00 -1.26 -4.96 116.67 124.39 3f1g s ASP 12 Ca 0.00 1.90 -0.29 0.00 -0.00 0.00 0.00 52.55 54.15 3f1g s ASP 12 Cb 0.00 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.92 40.26 3f1g s ASP 12 CO 0.00 -0.29 1.59 -2.24 -0.00 0.00 0.00 175.17 174.23 3f1g h ASP 13 N 6.23 -1.22 0.00 0.27 2.03 -2.01 -1.76 116.42 119.95 3f1g h ASP 13 Ca -0.42 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 3f1g h ASP 13 Cb 1.21 0.48 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 3f1g h ASP 13 CO 0.76 -0.44 0.32 1.12 -1.03 0.00 0.00 179.24 179.97 3f1g h HIS 14 N -0.55 0.00 0.00 4.15 2.07 -1.98 0.02 115.15 118.86 3f1g h HIS 14 Ca 0.05 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.57 3f1g h HIS 14 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 3f1g h HIS 14 CO -0.42 0.00 -0.00 1.25 -3.07 0.00 0.00 177.93 175.69 3f1g h LEU 15 N 0.00 -0.00 -0.01 6.12 7.12 -1.72 -3.02 115.31 123.79 3f1g h LEU 15 Ca 0.00 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.03 3f1g h LEU 15 Cb 0.64 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.71 3f1g h LEU 15 CO 0.00 0.12 -0.52 -0.07 -0.13 0.00 0.00 178.44 177.84 3f1g h LEU 16 N -0.25 -1.61 -0.89 2.25 4.07 -1.30 0.38 115.31 117.95 3f1g h LEU 16 Ca -0.00 0.18 0.10 0.00 0.08 0.00 0.00 57.88 58.24 3f1g h LEU 16 Cb 0.00 0.62 -0.12 0.00 1.08 0.00 0.00 40.66 42.24 3f1g h LEU 16 CO 0.00 -0.51 -0.47 1.21 -1.08 0.00 0.00 178.44 177.58 3f1g n GLU 17 N -5.46 -0.34 0.03 1.13 2.13 -0.08 0.15 120.64 118.20 3f1g n GLU 17 Ca -0.07 1.35 -0.03 0.00 0.66 0.00 0.00 57.16 59.07 3f1g n GLU 17 Cb 0.39 -1.99 0.22 0.00 0.27 0.00 0.00 31.44 30.33 3f1g n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3f1g h LYS 18 N 0.00 0.44 -0.00 5.31 1.63 -1.21 -2.54 116.57 120.19 3f1g h LYS 18 Ca 0.19 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3f1g h LYS 18 Cb 0.41 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3f1g h LYS 18 CO -0.85 0.67 -0.22 1.55 -3.45 0.00 0.00 179.45 177.15 3f1g n VAL 19 N -4.12 0.00 0.04 2.00 3.14 0.12 -3.68 118.33 115.84 3f1g n VAL 19 Ca -0.01 -0.02 -0.11 0.00 -2.96 0.00 0.00 64.34 61.25 3f1g n VAL 19 Cb 0.41 -0.09 -0.13 0.00 -1.06 0.00 0.00 33.84 32.96 3f1g n VAL 19 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3f1g h LEU 20 N 0.16 0.15 -0.76 6.55 3.38 0.18 -2.36 115.31 122.60 3f1g h LEU 20 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3f1g h LEU 20 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3f1g h LEU 20 CO 0.00 1.16 0.00 1.05 0.09 0.00 0.00 178.44 180.74 3f1g h GLU 21 N 0.03 0.00 0.10 1.13 4.11 -1.61 0.14 114.58 118.48 3f1g h GLU 21 Ca -0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.00 3f1g h GLU 21 Cb 1.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.18 3f1g h GLU 21 CO 0.13 0.00 -1.17 -0.07 0.07 0.00 0.00 179.01 177.97 3f1g h LEU 22 N 0.00 0.56 -1.87 3.06 -0.00 -1.64 -3.12 115.31 112.30 3f1g h LEU 22 Ca 0.00 -0.54 -0.02 0.00 -0.00 0.00 0.00 57.88 57.31 3f1g h LEU 22 Cb 0.51 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3f1g h LEU 22 CO 0.00 1.39 -0.12 0.78 -0.00 0.00 0.00 178.44 180.49 3f1g h ASN 23 N 0.16 0.00 0.00 -0.43 2.35 -0.67 0.13 115.58 117.12 3f1g h ASN 23 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3f1g h ASN 23 Cb 1.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.23 3f1g h ASN 23 CO 0.20 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 3f1g n ALA 24 N -2.43 0.00 0.42 -0.83 0.00 -0.09 -4.26 120.51 113.32 3f1g n ALA 24 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3f1g n ALA 24 Cb 0.20 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.84 3f1g n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3f1g n LYS 25 N -0.01 2.42 -3.29 0.00 4.81 -1.22 -4.99 118.16 115.88 3f1g n LYS 25 Ca 0.00 -1.54 -0.17 0.00 -0.87 0.00 0.00 58.31 55.73 3f1g n LYS 25 Cb 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 35.03 33.50 3f1g n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f1g n GLY 26 N 0.80 -0.20 0.00 3.14 0.00 0.45 -5.00 105.19 104.39 3f1g n GLY 26 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3f1g n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1g n GLU 27 N 0.59 0.00 0.00 1.61 4.71 -1.25 -5.07 120.64 121.23 3f1g n GLU 27 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3f1g n GLU 27 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 3f1g n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3f1g n LYS 28 N 0.00 0.00 0.00 3.49 5.02 -1.26 -5.11 118.16 120.30 3f1g n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f1g n LYS 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3f1g n LYS 28 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3f1g n ARG 29 N 0.00 0.00 -1.76 1.97 -4.01 -1.26 -4.91 116.66 106.69 3f1g n ARG 29 Ca 0.00 0.00 -0.38 0.00 -1.04 0.00 0.00 57.85 56.43 3f1g n ARG 29 Cb 0.00 0.00 0.05 0.00 -3.04 0.00 0.00 32.46 29.47 3f1g n ARG 29 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3f1g s LEU 30 N -0.47 3.81 -0.30 2.89 0.20 -1.12 -3.06 118.68 120.63 3f1g s LEU 30 Ca 0.00 2.77 -0.17 0.00 0.69 0.00 0.00 54.13 57.42 3f1g s LEU 30 Cb 0.00 -4.32 0.18 0.00 -0.43 0.00 0.00 46.19 41.62 3f1g s LEU 30 CO 0.00 -1.66 1.17 -0.51 -0.29 0.00 0.00 176.35 175.06 3f1g s ILE 31 N -1.30 -0.18 -0.30 6.68 1.10 -1.14 -4.96 121.20 121.10 3f1g s ILE 31 Ca 0.73 0.00 -0.27 0.00 -0.51 0.00 0.00 60.65 60.60 3f1g s ILE 31 Cb -0.41 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.15 3f1g s ILE 31 CO 0.47 0.00 2.28 -0.54 -2.11 0.00 0.00 174.94 175.04 3f1g s LYS 32 N 2.71 2.82 0.49 3.50 -0.14 -1.26 -2.08 119.74 125.76 3f1g s LYS 32 Ca -0.04 1.85 0.08 0.00 -1.36 0.00 0.00 55.97 56.50 3f1g s LYS 32 Cb -0.07 -4.44 0.04 0.00 -1.68 0.00 0.00 37.83 31.68 3f1g s LYS 32 CO -0.11 -2.46 0.62 -0.08 -0.76 0.00 0.00 175.35 172.55 3f1g s THR 33 N 9.50 2.54 0.00 2.17 -1.32 -0.31 -4.95 115.64 123.27 3f1g s THR 33 Ca 1.00 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 3f1g s THR 33 Cb -0.28 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 3f1g s THR 33 CO 0.32 0.00 0.35 0.79 -2.21 0.00 0.00 174.62 173.88 3f1g n TRP 34 N -1.95 0.00 -2.25 9.09 8.01 -1.26 -3.73 117.44 125.35 3f1g n TRP 34 Ca 0.10 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.91 3f1g n TRP 34 Cb 0.61 0.02 0.02 0.00 -2.01 0.00 0.00 31.31 29.95 3f1g n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3f1g n SER 35 N 0.00 6.83 0.20 -0.99 3.41 -1.26 -4.69 113.62 117.11 3f1g n SER 35 Ca 0.00 -3.78 0.18 0.00 -0.26 0.00 0.00 58.87 55.02 3f1g n SER 35 Cb 0.46 -0.96 0.82 0.00 -0.26 0.00 0.00 64.21 64.27 3f1g n SER 35 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3f1g h ARG 36 N 3.21 0.00 -0.43 4.33 0.11 -1.91 0.04 114.38 119.74 3f1g h ARG 36 Ca 0.49 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.43 3f1g h ARG 36 Cb 0.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 3f1g h ARG 36 CO 1.24 0.00 -0.29 0.07 0.10 0.00 0.00 179.97 181.09 3f1g h ARG 37 N 0.00 0.95 -7.22 0.08 0.11 -1.95 0.53 114.38 106.88 3f1g h ARG 37 Ca 0.10 -0.45 -0.47 0.00 0.10 0.00 0.00 59.98 59.26 3f1g h ARG 37 Cb 0.66 -0.01 0.19 0.00 1.11 0.00 0.00 29.97 31.93 3f1g h ARG 37 CO -0.00 1.12 0.13 -1.54 0.10 0.00 0.00 179.97 179.78 3f1g s SER 38 N -6.75 2.10 0.10 0.08 1.04 0.00 -4.72 113.70 105.55 3f1g s SER 38 Ca -0.11 1.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.96 3f1g s SER 38 Cb 0.11 -2.37 -0.06 0.00 0.10 0.00 0.00 66.02 63.80 3f1g s SER 38 CO 0.87 -3.54 0.44 -0.89 0.98 0.00 0.00 173.24 171.10 3f1g s THR 39 N -2.61 5.04 0.30 2.02 2.01 -1.19 -2.49 115.64 118.70 3f1g s THR 39 Ca 0.67 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 3f1g s THR 39 Cb -0.23 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.51 3f1g s THR 39 CO 0.61 0.25 1.57 -0.63 -0.69 0.00 0.00 174.62 175.73 3f1g s ILE 40 N -1.44 2.13 -0.14 1.82 1.01 -0.74 -4.88 121.20 118.96 3f1g s ILE 40 Ca 0.35 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 3f1g s ILE 40 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3f1g s ILE 40 CO 0.19 0.02 0.07 -0.69 0.00 0.00 0.00 174.94 174.53 3f1g s VAL 41 N -0.11 4.91 0.59 2.92 1.01 -1.26 -4.64 120.40 123.82 3f1g s VAL 41 Ca 0.62 -0.01 0.29 0.00 0.00 0.00 0.00 61.98 62.88 3f1g s VAL 41 Cb -0.47 -3.15 0.36 0.00 0.00 0.00 0.00 36.38 33.12 3f1g s VAL 41 CO 0.49 0.55 2.06 -0.65 0.00 0.00 0.00 175.10 177.55 3f1g h PRO 42 N 5.75 0.00 0.00 2.72 0.11 -1.94 0.11 132.00 138.75 3f1g h PRO 42 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3f1g h PRO 42 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3f1g h PRO 42 CO 0.63 0.00 -0.86 1.49 -0.21 0.00 0.00 178.00 179.04 3f1g h GLU 43 N 0.00 0.00 -0.44 1.05 4.57 -2.02 -3.37 114.58 114.37 3f1g h GLU 43 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3f1g h GLU 43 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3f1g h GLU 43 CO -0.00 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.50 3f1g n MET 44 N -2.44 2.06 -1.06 1.92 2.81 0.36 -4.94 117.12 115.83 3f1g n MET 44 Ca 0.01 -1.53 -0.34 0.00 -1.81 0.00 0.00 57.70 54.04 3f1g n MET 44 Cb 0.50 -1.37 0.12 0.00 -0.71 0.00 0.00 33.22 31.76 3f1g n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3f1g n VAL 45 N 0.70 1.52 -1.96 2.03 0.24 -1.24 -3.45 118.33 116.18 3f1g n VAL 45 Ca 0.14 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3f1g n VAL 45 Cb 0.38 -0.98 -0.01 0.00 -1.47 0.00 0.00 33.84 31.76 3f1g n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1g n GLY 46 N 0.95 0.24 3.17 7.63 0.00 -1.20 -4.97 105.19 111.01 3f1g n GLY 46 Ca 0.11 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3f1g n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f1g s HIS 47 N -2.42 1.72 -0.52 1.61 3.76 -1.22 -4.87 115.29 113.34 3f1g s HIS 47 Ca 0.00 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 3f1g s HIS 47 Cb 0.00 -1.13 0.13 0.00 1.11 0.00 0.00 32.58 32.69 3f1g s HIS 47 CO 0.00 -0.09 0.45 0.99 -0.85 0.00 0.00 174.74 175.23 3f1g s THR 48 N -0.23 4.85 -0.23 1.30 2.01 -1.17 -0.12 115.64 122.06 3f1g s THR 48 Ca 0.02 -1.62 -0.05 0.00 0.31 0.00 0.00 61.69 60.35 3f1g s THR 48 Cb -0.09 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3f1g s THR 48 CO 0.01 -0.84 0.00 -0.63 -0.69 0.00 0.00 174.62 172.47 3f1g s ILE 49 N 1.49 3.79 -0.66 1.82 1.09 -0.86 -2.79 121.20 125.09 3f1g s ILE 49 Ca 0.04 -0.35 -0.26 0.00 -1.10 0.00 0.00 60.65 58.97 3f1g s ILE 49 Cb -0.28 -2.74 0.04 0.00 -1.06 0.00 0.00 42.46 38.41 3f1g s ILE 49 CO 0.02 0.40 1.17 0.00 -0.10 0.00 0.00 174.94 176.42 3f1g s ALA 50 N 1.42 2.92 -0.07 9.38 0.00 -0.88 -3.40 121.76 131.13 3f1g s ALA 50 Ca 0.05 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 3f1g s ALA 50 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 3f1g s ALA 50 CO 0.00 -2.92 0.67 0.08 0.00 0.00 0.00 175.76 173.59 3f1g s VAL 51 N 5.05 5.06 0.23 0.00 1.01 -0.58 -1.16 120.40 130.02 3f1g s VAL 51 Ca 0.35 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 3f1g s VAL 51 Cb -0.10 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3f1g s VAL 51 CO 0.18 0.26 1.01 -0.47 0.00 0.00 0.00 175.10 176.08 3f1g s TYR 52 N 0.77 3.79 -0.10 5.22 5.04 -1.24 -0.16 117.35 130.66 3f1g s TYR 52 Ca 0.36 1.79 0.14 0.00 -2.44 0.00 0.00 57.07 56.92 3f1g s TYR 52 Cb -0.17 -3.12 0.28 0.00 0.35 0.00 0.00 41.96 39.29 3f1g s TYR 52 CO 0.17 -0.02 1.14 0.27 -1.34 0.00 0.00 175.55 175.77 3f1g n ASN 53 N 1.70 1.51 0.00 4.32 2.04 -1.06 -4.80 115.26 118.96 3f1g n ASN 53 Ca -0.01 -2.91 0.00 0.00 -0.44 0.00 0.00 54.58 51.23 3f1g n ASN 53 Cb 0.46 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 3f1g n ASN 53 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3f1g n GLY 54 N -0.80 3.04 0.22 4.83 0.00 -1.26 -4.73 105.19 106.49 3f1g n GLY 54 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3f1g n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1g n LYS 55 N -0.69 0.29 -3.56 1.61 3.00 -1.26 -5.12 118.16 112.43 3f1g n LYS 55 Ca 0.00 0.11 -0.11 0.00 -0.00 0.00 0.00 58.31 58.32 3f1g n LYS 55 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 35.03 34.05 3f1g n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f1g n GLN 56 N -3.68 0.76 -3.24 1.64 10.64 -1.26 -5.13 117.38 117.11 3f1g n GLN 56 Ca -0.08 -2.24 -0.39 0.00 -1.83 0.00 0.00 57.00 52.46 3f1g n GLN 56 Cb 0.28 2.37 -0.06 0.00 -0.86 0.00 0.00 30.24 31.97 3f1g n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3f1g s HIS 57 N -3.17 3.40 -0.22 2.61 3.76 -1.26 -2.55 115.29 117.86 3f1g s HIS 57 Ca 0.21 0.81 -0.22 0.00 -0.15 0.00 0.00 55.06 55.71 3f1g s HIS 57 Cb -0.02 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.99 3f1g s HIS 57 CO 0.15 -0.06 0.69 0.14 -0.85 0.00 0.00 174.74 174.81 3f1g s VAL 58 N 1.48 4.96 -0.32 -0.90 -7.23 0.77 -4.74 120.40 114.42 3f1g s VAL 58 Ca 0.25 1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 61.66 3f1g s VAL 58 Cb -0.15 -3.99 -0.11 0.00 0.56 0.00 0.00 36.38 32.69 3f1g s VAL 58 CO 0.10 0.04 2.09 -0.81 -0.31 0.00 0.00 175.10 176.21 3f1g n PRO 59 N 5.47 1.38 -2.42 4.82 -0.04 -1.26 -1.52 135.00 141.43 3f1g n PRO 59 Ca 0.01 -0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 62.19 3f1g n PRO 59 Cb 0.49 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 3f1g n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f1g s VAL 60 N 2.55 4.24 0.18 0.52 0.11 -1.22 -4.85 120.40 121.94 3f1g s VAL 60 Ca 0.36 1.48 -0.17 0.00 -2.93 0.00 0.00 61.98 60.72 3f1g s VAL 60 Cb 0.14 -4.03 -0.08 0.00 -1.53 0.00 0.00 36.38 30.89 3f1g s VAL 60 CO -0.01 -0.21 0.64 -0.47 -3.33 0.00 0.00 175.10 171.72 3f1g s TYR 61 N 3.71 3.64 0.30 1.54 5.04 -1.26 -2.02 117.35 128.30 3f1g s TYR 61 Ca 0.55 1.24 0.07 0.00 -2.44 0.00 0.00 57.07 56.49 3f1g s TYR 61 Cb -0.21 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.57 3f1g s TYR 61 CO 0.17 0.39 0.30 -1.50 -1.34 0.00 0.00 175.55 173.57 3f1g s ILE 62 N -1.47 4.11 0.00 3.14 1.10 0.84 -4.97 121.20 123.95 3f1g s ILE 62 Ca 0.40 -1.27 0.00 0.00 -0.51 0.00 0.00 60.65 59.26 3f1g s ILE 62 Cb -0.16 -3.37 0.00 0.00 0.15 0.00 0.00 42.46 39.08 3f1g s ILE 62 CO 0.20 -0.24 0.00 1.07 -2.11 0.00 0.00 174.94 173.86 3f1g n THR 63 N -1.36 0.00 -0.01 4.00 5.66 -1.26 -3.24 114.28 118.06 3f1g n THR 63 Ca -0.04 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.84 3f1g n THR 63 Cb 0.59 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.30 3f1g n THR 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 3f1g h GLU 64 N 0.00 0.13 -0.37 1.09 4.11 -1.99 -3.25 114.58 114.29 3f1g h GLU 64 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 3f1g h GLU 64 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3f1g h GLU 64 CO 0.00 0.29 -0.01 -0.91 0.07 0.00 0.00 179.01 178.45 3f1g h ASN 65 N -0.06 0.56 -2.66 3.06 4.21 -2.04 -3.37 115.58 115.28 3f1g h ASN 65 Ca 0.03 -0.12 -0.66 0.00 1.21 0.00 0.00 56.30 56.76 3f1g h ASN 65 Cb 0.22 -0.15 -0.16 0.00 -1.12 0.00 0.00 38.32 37.11 3f1g h ASN 65 CO -0.00 0.64 0.52 0.00 -1.29 0.00 0.00 177.43 177.30 3f1g s MET 66 N -4.95 3.20 0.14 0.81 0.23 -1.23 -4.71 119.30 112.80 3f1g s MET 66 Ca -0.08 -1.14 0.00 0.00 -1.03 0.00 0.00 55.69 53.44 3f1g s MET 66 Cb 0.15 -4.39 0.00 0.00 -1.53 0.00 0.00 34.83 29.07 3f1g s MET 66 CO 0.78 -1.75 0.00 0.28 -2.03 0.00 0.00 175.02 172.30 3f1g n VAL 67 N 5.74 0.00 0.24 5.16 0.31 -1.26 -4.55 118.33 123.97 3f1g n VAL 67 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 3f1g n VAL 67 Cb 0.46 -0.48 0.39 0.00 -0.91 0.00 0.00 33.84 33.29 3f1g n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f1g n GLY 68 N 1.40 -0.92 3.94 2.92 0.00 -1.26 -3.87 105.19 107.40 3f1g n GLY 68 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3f1g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f1g s HIS 69 N -3.28 2.72 0.81 1.61 3.76 -1.26 -4.87 115.29 114.78 3f1g s HIS 69 Ca 0.01 0.32 -0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3f1g s HIS 69 Cb 0.06 -3.19 0.16 0.00 1.11 0.00 0.00 32.58 30.72 3f1g s HIS 69 CO 0.22 -1.46 1.11 0.15 -0.85 0.00 0.00 174.74 173.92 3f1g s LYS 70 N -5.23 1.26 -0.08 1.40 -0.14 -1.26 -1.79 119.74 113.90 3f1g s LYS 70 Ca 0.61 -0.94 -0.22 0.00 -1.36 0.00 0.00 55.97 54.06 3f1g s LYS 70 Cb -0.10 -2.17 -0.29 0.00 -1.68 0.00 0.00 37.83 33.59 3f1g s LYS 70 CO 0.44 -1.82 0.77 -0.07 -0.76 0.00 0.00 175.35 173.92 3f1g h LEU 71 N -0.92 0.34 -2.07 3.17 3.38 -1.27 -3.32 115.31 114.62 3f1g h LEU 71 Ca -0.38 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 56.68 3f1g h LEU 71 Cb 1.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3f1g h LEU 71 CO 0.38 1.37 0.04 1.23 0.09 0.00 0.00 178.44 181.54 3f1g h GLY 72 N -0.44 0.00 -0.50 0.83 0.00 -1.17 -0.87 103.07 100.91 3f1g h GLY 72 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.31 3f1g h GLY 72 CO 0.09 0.00 -0.25 0.83 0.00 0.00 0.00 176.54 177.21 3f1g h GLU 73 N 0.00 -0.05 -1.38 4.80 4.39 -1.81 -1.65 114.58 118.88 3f1g h GLU 73 Ca 0.02 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.04 3f1g h GLU 73 Cb 0.10 0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 28.49 3f1g h GLU 73 CO -0.00 -0.04 0.90 1.19 -1.16 0.00 0.00 179.01 179.90 3f1g n PHE 74 N -5.47 3.01 -2.73 4.33 3.72 -0.34 -4.50 117.46 115.49 3f1g n PHE 74 Ca 0.08 -2.72 -0.05 0.00 -0.05 0.00 0.00 57.45 54.71 3f1g n PHE 74 Cb 0.37 -1.35 0.04 0.00 -0.94 0.00 0.00 39.48 37.61 3f1g n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f1g n ALA 75 N -0.67 -2.36 -1.59 4.37 0.00 -0.62 -4.83 120.51 114.81 3f1g n ALA 75 Ca 0.58 -0.83 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 3f1g n ALA 75 Cb 0.52 -2.05 -0.00 0.00 0.00 0.00 0.00 19.45 17.92 3f1g n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3f1g n PRO 76 N 2.26 1.32 -0.01 0.00 -0.04 -1.26 -4.79 135.00 132.48 3f1g n PRO 76 Ca 0.11 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 3f1g n PRO 76 Cb 0.62 -1.92 -0.16 0.00 -0.04 0.00 0.00 33.50 31.99 3f1g n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3f1g n THR 77 N -0.18 0.00 -3.30 0.52 -2.24 -1.26 -4.88 114.28 102.94 3f1g n THR 77 Ca 0.09 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 3f1g n THR 77 Cb 0.36 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3f1g n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f1g s ARG 78 N -3.45 4.19 0.00 -0.78 1.81 -1.26 -5.03 118.95 114.43 3f1g s ARG 78 Ca -0.07 0.34 -0.30 0.00 -1.72 0.00 0.00 55.73 53.98 3f1g s ARG 78 Cb 0.14 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 3f1g s ARG 78 CO 0.88 -0.10 0.97 0.99 -0.68 0.00 0.00 175.30 177.36 3f1g s THR 79 N 1.48 4.86 0.00 0.02 2.01 -1.26 -4.01 115.64 118.73 3f1g s THR 79 Ca 0.22 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.26 3f1g s THR 79 Cb -0.15 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.05 3f1g s THR 79 CO 0.09 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 3f1g n TYR 80 N 3.83 0.00 1.36 4.92 9.36 -1.26 -5.28 117.16 130.08 3f1g n TYR 80 Ca 0.05 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.41 3f1g n TYR 80 Cb 0.51 0.00 0.40 0.00 -0.63 0.00 0.00 39.34 39.62 3f1g n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62