#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjg s VAL 15 N 0.00 4.08 0.47 2.52 1.01 -1.26 -4.98 120.40 122.24 2fjg s VAL 15 Ca 0.00 1.34 -0.22 0.00 0.00 0.00 0.00 61.98 63.10 2fjg s VAL 15 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2fjg s VAL 15 CO 0.00 -0.09 1.09 -0.54 0.00 0.00 0.00 175.10 175.56 2fjg s LYS 16 N 3.30 3.81 0.18 2.72 1.02 -1.26 -4.84 119.74 124.67 2fjg s LYS 16 Ca 0.59 1.55 -0.28 0.00 0.02 0.00 0.00 55.97 57.85 2fjg s LYS 16 Cb -0.25 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 2fjg s LYS 16 CO 0.20 -0.46 1.54 0.35 -0.92 0.00 0.00 175.35 176.06 2fjg h PHE 17 N 1.86 -1.69 0.00 3.18 3.57 -2.00 -0.78 116.94 121.09 2fjg h PHE 17 Ca -0.49 0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2fjg h PHE 17 Cb 1.23 0.87 -0.01 0.00 2.79 0.00 0.00 35.95 40.84 2fjg h PHE 17 CO 0.55 -0.38 -0.21 0.52 -2.23 0.00 0.00 178.31 176.57 2fjg h MET 18 N -0.01 0.00 0.65 1.11 2.86 -1.99 -1.36 114.93 116.19 2fjg h MET 18 Ca 0.21 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2fjg h MET 18 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2fjg h MET 18 CO -0.95 0.21 -0.36 -0.44 1.06 0.00 0.00 176.91 176.43 2fjg h ASP 19 N 0.00 -0.89 -0.54 1.22 3.32 -1.52 -2.27 116.42 115.74 2fjg h ASP 19 Ca -0.00 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.20 2fjg h ASP 19 Cb 0.36 0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.06 2fjg h ASP 19 CO 0.03 -0.57 -0.14 0.58 -1.72 0.00 0.00 179.24 177.41 2fjg h VAL 20 N -0.93 0.44 0.16 -1.35 2.07 -1.22 -1.48 116.25 113.93 2fjg h VAL 20 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2fjg h VAL 20 Cb 0.73 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2fjg h VAL 20 CO 0.11 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.79 2fjg h TYR 21 N -0.01 -0.36 -0.58 1.57 3.20 -1.26 0.14 116.97 119.67 2fjg h TYR 21 Ca 0.26 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2fjg h TYR 21 Cb 0.41 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2fjg h TYR 21 CO -0.46 -0.21 0.32 1.96 -1.64 0.00 0.00 178.16 178.12 2fjg h GLN 22 N -0.31 0.59 0.00 1.82 4.20 -1.23 -2.66 115.11 117.51 2fjg h GLN 22 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2fjg h GLN 22 Cb 0.29 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2fjg h GLN 22 CO -0.02 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 2fjg h ARG 23 N 0.60 0.00 0.00 1.46 3.08 -0.97 -3.20 114.38 115.36 2fjg h ARG 23 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2fjg h ARG 23 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2fjg h ARG 23 CO -0.16 0.00 -1.60 0.45 -1.07 0.00 0.00 179.97 177.59 2fjg n SER 24 N -2.42 0.39 -4.74 7.04 2.88 0.01 -4.98 113.62 111.80 2fjg n SER 24 Ca 0.05 -0.38 -0.41 0.00 -1.33 0.00 0.00 58.87 56.80 2fjg n SER 24 Cb 0.43 1.60 -0.05 0.00 -0.75 0.00 0.00 64.21 65.43 2fjg n SER 24 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2fjg s TYR 25 N -3.32 3.81 0.00 0.66 6.14 -1.02 -2.06 117.35 121.57 2fjg s TYR 25 Ca -0.02 1.80 0.00 0.00 0.64 0.00 0.00 57.07 59.49 2fjg s TYR 25 Cb 0.15 -3.09 0.00 0.00 0.42 0.00 0.00 41.96 39.44 2fjg s TYR 25 CO 0.89 0.07 0.00 0.00 0.64 0.00 0.00 175.55 177.15 2fjg s HIS 27 N 0.00 1.63 0.04 0.00 -3.43 -0.99 -4.74 115.29 107.80 2fjg s HIS 27 Ca 0.00 -1.47 -0.30 0.00 -0.80 0.00 0.00 55.06 52.48 2fjg s HIS 27 Cb 0.00 -0.80 -0.05 0.00 -1.43 0.00 0.00 32.58 30.30 2fjg s HIS 27 CO 0.00 -0.64 1.15 -2.14 -2.00 0.00 0.00 174.74 171.11 2fjg s PRO 28 N -3.71 4.45 0.03 -0.38 0.02 -1.26 -1.75 135.00 132.41 2fjg s PRO 28 Ca 0.36 1.69 0.05 0.00 0.02 0.00 0.00 61.00 63.12 2fjg s PRO 28 Cb 0.04 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 2fjg s PRO 28 CO 0.20 -0.23 -0.14 -1.50 -0.33 0.00 0.00 177.00 175.01 2fjg s ILE 29 N 1.15 1.07 0.23 2.83 2.07 0.14 -4.87 121.20 123.82 2fjg s ILE 29 Ca 0.57 -0.92 -0.31 0.00 -1.41 0.00 0.00 60.65 58.57 2fjg s ILE 29 Cb -0.27 -0.96 -0.12 0.00 0.13 0.00 0.00 42.46 41.24 2fjg s ILE 29 CO 0.28 0.04 1.66 1.21 -1.91 0.00 0.00 174.94 176.22 2fjg n GLU 30 N 2.03 2.69 -3.72 3.50 2.13 -1.26 -1.93 120.64 124.08 2fjg n GLU 30 Ca -0.17 0.96 -0.14 0.00 0.66 0.00 0.00 57.16 58.47 2fjg n GLU 30 Cb 0.55 -2.78 -0.15 0.00 0.27 0.00 0.00 31.44 29.33 2fjg n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2fjg s THR 31 N 0.73 -0.14 -0.33 6.31 2.01 -0.12 -4.93 115.64 119.17 2fjg s THR 31 Ca 0.71 0.24 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 2fjg s THR 31 Cb -0.52 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2fjg s THR 31 CO 0.39 0.10 0.83 -0.76 -0.69 0.00 0.00 174.62 174.48 2fjg s LEU 32 N 1.60 4.07 -0.08 4.42 1.43 -1.26 -1.74 118.68 127.13 2fjg s LEU 32 Ca -0.05 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2fjg s LEU 32 Cb -0.12 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2fjg s LEU 32 CO -0.06 -0.69 -0.22 -0.69 0.23 0.00 0.00 176.35 174.92 2fjg s VAL 33 N 3.11 2.32 0.09 -1.59 1.01 -0.54 -4.92 120.40 119.88 2fjg s VAL 33 Ca 0.34 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 2fjg s VAL 33 Cb -0.13 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 2fjg s VAL 33 CO 0.14 0.56 1.25 -0.62 0.00 0.00 0.00 175.10 176.44 2fjg s ASP 34 N 0.04 7.01 0.20 3.32 2.15 -1.26 -0.92 116.67 127.20 2fjg s ASP 34 Ca -0.08 2.13 -0.11 0.00 0.43 0.00 0.00 52.55 54.92 2fjg s ASP 34 Cb -0.15 -2.58 0.13 0.00 -0.30 0.00 0.00 42.92 40.01 2fjg s ASP 34 CO 0.05 -0.51 1.83 0.40 -0.17 0.00 0.00 175.17 176.77 2fjg h ILE 35 N 4.34 1.21 -1.03 4.11 2.04 -1.60 -2.84 117.51 123.74 2fjg h ILE 35 Ca -0.42 -0.49 0.26 0.00 1.00 0.00 0.00 64.86 65.21 2fjg h ILE 35 Cb 1.21 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.45 2fjg h ILE 35 CO 0.82 0.22 0.66 -0.26 0.00 0.00 0.00 178.15 179.59 2fjg h PHE 36 N 0.97 0.67 0.00 1.37 -1.00 -1.82 -0.35 116.94 116.78 2fjg h PHE 36 Ca 0.25 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.96 2fjg h PHE 36 Cb -0.00 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.35 2fjg h PHE 36 CO -0.01 0.08 -0.46 1.96 -1.61 0.00 0.00 178.31 178.27 2fjg h GLN 37 N 0.42 0.00 0.00 1.51 4.20 -1.89 -1.58 115.11 117.77 2fjg h GLN 37 Ca 0.58 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.29 2fjg h GLN 37 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2fjg h GLN 37 CO -0.29 0.46 -0.22 0.93 -0.67 0.00 0.00 178.83 179.04 2fjg h GLU 38 N 0.00 0.00 -1.55 1.46 4.39 -1.14 -3.39 114.58 114.35 2fjg h GLU 38 Ca -0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.23 2fjg h GLU 38 Cb 1.22 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.55 2fjg h GLU 38 CO 0.06 0.00 -0.91 0.66 -1.16 0.00 0.00 179.01 177.66 2fjg n TYR 39 N -2.35 -1.36 0.35 4.33 4.02 -0.53 -4.99 117.16 116.64 2fjg n TYR 39 Ca 0.04 -2.97 0.14 0.00 -0.01 0.00 0.00 57.90 55.11 2fjg n TYR 39 Cb 0.45 0.30 0.57 0.00 -0.02 0.00 0.00 39.34 40.64 2fjg n TYR 39 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2fjg h PRO 40 N 4.34 0.00 0.00 -0.72 0.11 -1.49 -3.09 132.00 131.15 2fjg h PRO 40 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2fjg h PRO 40 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2fjg h PRO 40 CO 0.39 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.78 2fjg n ASP 41 N -2.58 0.00 -3.49 -2.05 5.75 -1.26 -4.37 116.55 108.55 2fjg n ASP 41 Ca 0.01 0.39 -0.36 0.00 -0.01 0.00 0.00 54.79 54.82 2fjg n ASP 41 Cb 0.26 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 2fjg n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2fjg n GLU 42 N -1.45 4.45 0.15 0.11 1.02 -1.17 -4.78 120.64 118.97 2fjg n GLU 42 Ca 0.06 -4.71 0.11 0.00 -0.02 0.00 0.00 57.16 52.61 2fjg n GLU 42 Cb 0.23 -2.40 0.07 0.00 -0.02 0.00 0.00 31.44 29.32 2fjg n GLU 42 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2fjg h ILE 43 N 2.70 0.03 -0.27 -3.67 -0.00 -1.87 -3.03 117.51 111.39 2fjg h ILE 43 Ca 0.34 -1.04 0.01 0.00 -0.00 0.00 0.00 64.86 64.17 2fjg h ILE 43 Cb 0.45 1.75 -0.01 0.00 -0.00 0.00 0.00 36.82 39.00 2fjg h ILE 43 CO 1.08 0.02 0.18 -0.33 -0.00 0.00 0.00 178.15 179.09 2fjg h GLU 44 N 0.00 0.34 -6.56 0.16 3.07 -1.97 -3.44 114.58 106.18 2fjg h GLU 44 Ca -0.00 -0.02 -0.49 0.00 -0.50 0.00 0.00 59.36 58.34 2fjg h GLU 44 Cb 1.02 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.86 2fjg h GLU 44 CO 0.00 0.23 -0.14 0.71 -1.40 0.00 0.00 179.01 178.41 2fjg s TYR 45 N -5.34 3.50 0.06 4.33 1.51 -1.15 -4.46 117.35 115.81 2fjg s TYR 45 Ca -0.07 0.50 0.09 0.00 -1.01 0.00 0.00 57.07 56.58 2fjg s TYR 45 Cb 0.17 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2fjg s TYR 45 CO 0.71 0.09 -0.24 0.42 -1.11 0.00 0.00 175.55 175.42 2fjg s ILE 46 N -2.29 1.93 0.06 2.71 1.01 -0.62 -4.98 121.20 119.02 2fjg s ILE 46 Ca 0.42 -1.36 0.07 0.00 0.00 0.00 0.00 60.65 59.78 2fjg s ILE 46 Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2fjg s ILE 46 CO 0.35 0.24 -0.17 -0.36 0.00 0.00 0.00 174.94 175.00 2fjg s PHE 47 N -0.86 2.58 -0.09 3.97 0.40 -1.26 -0.87 117.98 121.85 2fjg s PHE 47 Ca 0.10 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 2fjg s PHE 47 Cb -0.10 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.01 2fjg s PHE 47 CO 0.03 0.30 -0.17 0.15 0.70 0.00 0.00 175.22 176.23 2fjg s LYS 48 N -1.67 2.26 0.80 0.44 -0.14 -0.88 -3.01 119.74 117.55 2fjg s LYS 48 Ca 0.16 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 54.06 2fjg s LYS 48 Cb -0.11 -1.81 0.07 0.00 -1.68 0.00 0.00 37.83 34.31 2fjg s LYS 48 CO 0.07 0.06 1.10 -1.25 -0.76 0.00 0.00 175.35 174.57 2fjg s PRO 49 N 0.62 2.04 0.06 -1.68 0.04 -1.26 -0.79 135.00 134.02 2fjg s PRO 49 Ca -0.14 1.20 0.23 0.00 0.04 0.00 0.00 61.00 62.32 2fjg s PRO 49 Cb -0.16 -1.87 0.94 0.00 0.04 0.00 0.00 34.50 33.45 2fjg s PRO 49 CO 0.04 -1.81 1.73 -1.13 0.04 0.00 0.00 177.00 175.87 2fjg n SER 50 N -3.64 0.18 -4.13 6.66 3.41 -1.16 -4.84 113.62 110.10 2fjg n SER 50 Ca 0.09 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.14 2fjg n SER 50 Cb 0.53 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 2fjg n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fjg s VAL 52 N -4.00 0.96 -0.33 0.00 -7.23 -0.10 -4.90 120.40 104.80 2fjg s VAL 52 Ca 0.19 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 2fjg s VAL 52 Cb 0.08 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2fjg s VAL 52 CO -0.02 -0.57 0.76 -2.16 -0.31 0.00 0.00 175.10 172.81 2fjg s PRO 53 N -2.85 3.87 0.01 4.82 0.04 -1.26 -1.47 135.00 138.16 2fjg s PRO 53 Ca 0.06 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.59 2fjg s PRO 53 Cb -0.03 -3.76 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2fjg s PRO 53 CO 0.00 -0.73 -0.15 -0.51 0.04 0.00 0.00 177.00 175.65 2fjg s LEU 54 N 2.96 2.08 -0.19 -3.56 1.43 -0.71 -4.89 118.68 115.80 2fjg s LEU 54 Ca 0.31 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 2fjg s LEU 54 Cb -0.14 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2fjg s LEU 54 CO 0.14 0.13 1.40 -0.04 0.23 0.00 0.00 176.35 178.21 2fjg s MET 55 N -0.65 4.06 0.03 1.70 -1.94 -1.26 -0.95 119.30 120.29 2fjg s MET 55 Ca 0.04 1.64 0.01 0.00 -1.71 0.00 0.00 55.69 55.68 2fjg s MET 55 Cb -0.06 -3.88 -0.02 0.00 2.01 0.00 0.00 34.83 32.88 2fjg s MET 55 CO 0.00 -0.95 -0.06 1.03 -0.01 0.00 0.00 175.02 175.04 2fjg s ARG 56 N 3.98 0.43 0.24 2.03 1.81 -0.81 -1.11 118.95 125.51 2fjg s ARG 56 Ca 0.61 -0.59 -0.31 0.00 -1.72 0.00 0.00 55.73 53.72 2fjg s ARG 56 Cb -0.23 -0.19 -0.11 0.00 -0.45 0.00 0.00 34.95 33.97 2fjg s ARG 56 CO 0.22 0.03 1.58 0.00 -0.68 0.00 0.00 175.30 176.45 2fjg s GLY 58 N 0.75 0.19 0.00 0.00 0.00 -0.72 -4.87 107.32 102.68 2fjg s GLY 58 Ca 0.66 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2fjg s GLY 58 CO 0.40 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.82 2fjg n GLY 59 N -0.45 -1.50 3.73 0.20 0.00 -1.26 -2.35 105.19 103.55 2fjg n GLY 59 Ca -0.04 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 2fjg n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjg n ASN 62 N -1.27 -2.06 0.00 0.00 3.02 -1.26 -4.66 115.26 109.02 2fjg n ASN 62 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2fjg n ASN 62 Cb 0.32 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 2fjg n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2fjg n ASP 63 N -0.33 0.00 0.00 6.41 10.43 -1.26 -5.14 116.55 126.66 2fjg n ASP 63 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2fjg n ASP 63 Cb 0.16 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 43.05 2fjg n ASP 63 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2fjg n GLU 64 N -2.17 0.00 0.00 -1.24 -0.00 -1.26 -4.90 120.64 111.07 2fjg n GLU 64 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.27 2fjg n GLU 64 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 31.44 31.55 2fjg n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fjg n GLY 65 N 0.00 -1.01 3.27 -1.84 0.00 -1.26 -4.88 105.19 99.47 2fjg n GLY 65 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 2fjg n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fjg n LEU 66 N -1.31 -2.39 -3.72 0.99 4.77 -1.26 -2.94 117.00 111.13 2fjg n LEU 66 Ca 0.06 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 2fjg n LEU 66 Cb 0.34 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.33 2fjg n LEU 66 CO 0.36 -4.47 0.10 -0.70 -1.33 0.00 0.00 177.39 171.36 2fjg s GLU 67 N -2.46 0.49 -0.69 3.23 2.12 0.62 -4.87 118.70 117.14 2fjg s GLU 67 Ca 0.54 0.63 -0.20 0.00 0.36 0.00 0.00 54.97 56.29 2fjg s GLU 67 Cb -0.28 0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.42 2fjg s GLU 67 CO 0.70 -0.07 0.89 0.00 -0.54 0.00 0.00 175.26 176.23 2fjg s VAL 69 N 3.10 2.59 0.58 0.00 -7.23 -0.83 -4.76 120.40 113.86 2fjg s VAL 69 Ca 0.20 -2.26 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 2fjg s VAL 69 Cb -0.17 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2fjg s VAL 69 CO 0.04 -0.34 1.04 -2.16 -0.31 0.00 0.00 175.10 173.37 2fjg s PRO 70 N -3.35 3.45 0.00 4.82 0.04 -1.26 -1.44 135.00 137.25 2fjg s PRO 70 Ca 0.28 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2fjg s PRO 70 Cb -0.06 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2fjg s PRO 70 CO 0.15 -0.70 0.56 0.25 0.04 0.00 0.00 177.00 177.30 2fjg n THR 71 N -2.00 0.30 -3.62 1.26 -2.24 -0.87 -4.87 114.28 102.24 2fjg n THR 71 Ca 0.08 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 2fjg n THR 71 Cb 0.53 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 2fjg n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2fjg s GLU 72 N -0.30 0.56 0.09 -0.78 2.02 -1.25 -4.93 118.70 114.12 2fjg s GLU 72 Ca 0.00 1.05 0.04 0.00 0.02 0.00 0.00 54.97 56.09 2fjg s GLU 72 Cb 0.00 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.45 2fjg s GLU 72 CO 0.00 -0.13 -0.12 -1.21 0.02 0.00 0.00 175.26 173.82 2fjg s GLU 73 N 1.80 0.85 0.05 1.61 2.02 -1.26 -0.73 118.70 123.05 2fjg s GLU 73 Ca -0.09 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 53.80 2fjg s GLU 73 Cb -0.06 -0.66 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 2fjg s GLU 73 CO -0.18 0.12 -0.04 -1.54 0.02 0.00 0.00 175.26 173.64 2fjg s SER 74 N -2.22 0.53 0.14 -0.19 1.04 -0.97 -4.90 113.70 107.13 2fjg s SER 74 Ca 0.03 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 2fjg s SER 74 Cb -0.05 0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 2fjg s SER 74 CO 0.01 -0.51 0.46 0.20 0.98 0.00 0.00 173.24 174.38 2fjg s ASN 75 N -2.62 6.65 -0.00 7.02 -0.87 -1.26 -0.07 114.94 123.79 2fjg s ASN 75 Ca 0.03 0.85 0.05 0.00 -1.57 0.00 0.00 52.86 52.21 2fjg s ASN 75 Cb 0.04 -2.20 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 2fjg s ASN 75 CO -0.07 0.08 -0.15 -0.51 -2.57 0.00 0.00 177.10 173.88 2fjg s ILE 76 N -1.55 1.16 -0.24 0.60 2.07 -0.06 -4.91 121.20 118.27 2fjg s ILE 76 Ca 0.39 -0.68 -0.06 0.00 -1.41 0.00 0.00 60.65 58.89 2fjg s ILE 76 Cb -0.13 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.46 2fjg s ILE 76 CO 0.20 0.29 0.02 -0.89 -1.91 0.00 0.00 174.94 172.65 2fjg s THR 77 N -0.41 3.89 0.07 4.00 2.01 -1.26 -0.01 115.64 123.93 2fjg s THR 77 Ca 0.05 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2fjg s THR 77 Cb -0.06 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2fjg s THR 77 CO -0.00 0.35 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.09 2fjg s MET 78 N 1.55 2.05 -0.27 4.92 -1.94 -0.01 -4.95 119.30 120.65 2fjg s MET 78 Ca 0.06 -1.02 -0.26 0.00 -1.71 0.00 0.00 55.69 52.76 2fjg s MET 78 Cb -0.15 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.47 2fjg s MET 78 CO 0.01 0.52 0.90 -0.65 -0.01 0.00 0.00 175.02 175.79 2fjg s GLN 79 N -1.82 4.13 0.01 2.03 -0.21 -1.26 -1.51 119.66 121.03 2fjg s GLN 79 Ca 0.17 0.97 0.03 0.00 0.02 0.00 0.00 55.36 56.56 2fjg s GLN 79 Cb -0.11 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.21 2fjg s GLN 79 CO 0.09 -0.64 -0.11 0.42 -2.12 0.00 0.00 175.29 172.93 2fjg s ILE 80 N 3.07 0.86 -0.31 1.08 -1.09 -0.39 -4.91 121.20 119.51 2fjg s ILE 80 Ca 0.38 -0.62 -0.24 0.00 -2.23 0.00 0.00 60.65 57.94 2fjg s ILE 80 Cb -0.14 -0.75 0.00 0.00 -1.58 0.00 0.00 42.46 39.99 2fjg s ILE 80 CO 0.09 0.13 0.80 -0.32 -1.23 0.00 0.00 174.94 174.41 2fjg s MET 81 N -0.56 3.95 -0.31 2.79 -2.45 0.03 -1.64 119.30 121.11 2fjg s MET 81 Ca 0.02 0.59 -0.17 0.00 -1.25 0.00 0.00 55.69 54.89 2fjg s MET 81 Cb -0.05 -3.73 -0.02 0.00 1.25 0.00 0.00 34.83 32.27 2fjg s MET 81 CO 0.00 -0.70 0.45 1.03 1.05 0.00 0.00 175.02 176.85 2fjg s ARG 82 N 2.99 3.81 -0.19 4.11 0.52 0.10 -2.07 118.95 128.24 2fjg s ARG 82 Ca 0.33 -0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.45 2fjg s ARG 82 Cb -0.14 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 2fjg s ARG 82 CO 0.13 -0.46 -0.05 0.42 0.02 0.00 0.00 175.30 175.36 2fjg s ILE 83 N 2.23 3.56 -0.51 1.52 1.01 -0.05 -1.37 121.20 127.60 2fjg s ILE 83 Ca 0.17 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 2fjg s ILE 83 Cb -0.16 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.79 2fjg s ILE 83 CO 0.11 0.46 0.62 -0.54 0.00 0.00 0.00 174.94 175.59 2fjg s LYS 84 N 0.92 3.12 0.20 2.79 1.02 -0.29 -1.59 119.74 125.91 2fjg s LYS 84 Ca -0.00 -0.91 -0.32 0.00 0.02 0.00 0.00 55.97 54.75 2fjg s LYS 84 Cb -0.15 -4.10 -0.15 0.00 -0.52 0.00 0.00 37.83 32.91 2fjg s LYS 84 CO 0.01 -1.22 1.24 -2.30 -0.92 0.00 0.00 175.35 172.16 2fjg n PRO 85 N 6.14 1.45 -0.72 -1.68 -0.02 -1.26 -1.47 135.00 137.44 2fjg n PRO 85 Ca -0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2fjg n PRO 85 Cb 0.45 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2fjg n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2fjg n HIS 86 N 1.62 0.00 0.00 6.00 8.25 -1.26 -4.73 115.22 125.09 2fjg n HIS 86 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2fjg n HIS 86 Cb 0.27 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 29.92 2fjg n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2fjg n GLN 87 N -1.13 0.00 -3.62 -0.41 6.02 -0.54 -5.15 117.38 112.55 2fjg n GLN 87 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2fjg n GLN 87 Cb 0.15 -0.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.83 2fjg n GLN 87 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2fjg s GLY 88 N -4.77 -0.40 -0.10 1.08 0.00 -0.79 -5.02 107.32 97.33 2fjg s GLY 88 Ca 0.00 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 2fjg s GLY 88 CO 0.00 0.16 0.24 -0.86 0.00 0.00 0.00 173.10 172.65 2fjg s GLN 89 N -2.46 0.25 -0.03 2.90 -2.07 -1.26 -1.14 119.66 115.85 2fjg s GLN 89 Ca 0.13 0.43 -0.04 0.00 -1.82 0.00 0.00 55.36 54.07 2fjg s GLN 89 Cb 0.04 0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.98 2fjg s GLN 89 CO -0.04 -0.10 0.10 -1.58 -1.32 0.00 0.00 175.29 172.36 2fjg s HIS 90 N 0.68 -0.07 -0.31 9.60 2.46 -0.47 -4.98 115.29 122.21 2fjg s HIS 90 Ca -0.05 0.17 -0.24 0.00 0.47 0.00 0.00 55.06 55.41 2fjg s HIS 90 Cb -0.06 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2fjg s HIS 90 CO -0.04 -0.10 0.82 0.42 -2.47 0.00 0.00 174.74 173.37 2fjg s ILE 91 N -0.28 4.76 0.27 0.89 1.01 -1.26 0.01 121.20 126.60 2fjg s ILE 91 Ca -0.03 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2fjg s ILE 91 Cb -0.03 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 2fjg s ILE 91 CO 0.00 -0.28 0.01 0.61 0.00 0.00 0.00 174.94 175.28 2fjg n GLY 92 N 4.16 3.84 3.60 6.18 0.00 -0.65 -4.94 105.19 117.38 2fjg n GLY 92 Ca 0.05 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 2fjg n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fjg s GLU 93 N -2.98 3.55 0.03 1.61 2.02 -1.26 -1.26 118.70 120.41 2fjg s GLU 93 Ca 0.01 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2fjg s GLU 93 Cb 0.00 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 2fjg s GLU 93 CO 0.01 0.40 -0.18 -1.64 0.02 0.00 0.00 175.26 173.87 2fjg s MET 94 N -0.04 1.24 -0.02 1.61 -1.94 -0.57 -4.97 119.30 114.61 2fjg s MET 94 Ca 0.03 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2fjg s MET 94 Cb -0.13 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 2fjg s MET 94 CO 0.02 0.33 0.07 0.45 -0.01 0.00 0.00 175.02 175.88 2fjg s SER 95 N -0.99 5.65 -0.00 3.03 0.15 -1.26 -0.83 113.70 119.45 2fjg s SER 95 Ca 0.05 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.89 2fjg s SER 95 Cb -0.08 -1.63 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2fjg s SER 95 CO 0.01 0.30 -0.07 -0.36 1.20 0.00 0.00 173.24 174.32 2fjg s PHE 96 N -1.14 0.59 0.22 3.44 0.08 0.98 -4.96 117.98 117.20 2fjg s PHE 96 Ca 0.21 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 2fjg s PHE 96 Cb -0.12 -0.38 -0.09 0.00 -0.57 0.00 0.00 43.02 41.86 2fjg s PHE 96 CO 0.12 -0.01 1.19 -1.17 -0.10 0.00 0.00 175.22 175.24 2fjg s LEU 97 N -0.17 4.47 0.28 -0.37 2.96 -1.26 -0.88 118.68 123.72 2fjg s LEU 97 Ca 0.02 2.29 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 2fjg s LEU 97 Cb -0.03 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 2fjg s LEU 97 CO -0.00 -0.34 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.58 2fjg s GLN 98 N -0.64 1.53 -0.17 1.98 -0.21 0.90 -4.83 119.66 118.21 2fjg s GLN 98 Ca 0.51 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 54.09 2fjg s GLN 98 Cb -0.33 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 32.77 2fjg s GLN 98 CO 0.39 -0.06 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.38 2fjg s HIS 99 N -3.19 2.21 -0.19 0.91 3.76 -0.27 -2.28 115.29 116.24 2fjg s HIS 99 Ca 0.31 -1.37 0.04 0.00 -0.15 0.00 0.00 55.06 53.89 2fjg s HIS 99 Cb 0.06 -1.57 -0.22 0.00 1.11 0.00 0.00 32.58 31.97 2fjg s HIS 99 CO 0.12 -0.69 0.08 0.09 -0.85 0.00 0.00 174.74 173.49 2fjg n ASN 100 N 4.75 1.55 -4.16 1.40 3.02 0.09 -4.58 115.26 117.33 2fjg n ASN 100 Ca -0.15 0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.25 2fjg n ASN 100 Cb 0.48 -0.24 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 2fjg n ASN 100 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2fjg s LYS 101 N -2.53 0.82 0.13 3.52 3.01 -1.21 -4.81 119.74 118.67 2fjg s LYS 101 Ca -0.24 -0.92 0.04 0.00 -1.01 0.00 0.00 55.97 53.85 2fjg s LYS 101 Cb 0.08 -0.82 -0.04 0.00 -1.01 0.00 0.00 37.83 36.03 2fjg s LYS 101 CO 0.71 0.18 -0.10 0.00 0.51 0.00 0.00 175.35 176.66 2fjg s GLU 103 N -3.58 0.86 -0.38 0.00 2.02 -0.52 -4.90 118.70 112.20 2fjg s GLU 103 Ca 0.14 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.56 2fjg s GLU 103 Cb 0.02 0.38 0.01 0.00 0.10 0.00 0.00 34.13 34.64 2fjg s GLU 103 CO -0.00 -0.29 0.44 0.00 0.02 0.00 0.00 175.26 175.43 2fjg s ARG 105 N 2.19 1.95 0.40 0.00 0.52 0.55 -4.80 118.95 119.76 2fjg s ARG 105 Ca 0.14 -1.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.06 2fjg s ARG 105 Cb -0.16 -2.03 -0.11 0.00 0.52 0.00 0.00 34.95 33.17 2fjg s ARG 105 CO 0.13 0.53 1.21 -2.30 0.02 0.00 0.00 175.30 174.90 2fjg n PRO 106 N 1.99 1.82 0.00 3.54 -0.02 -1.26 -0.28 135.00 140.80 2fjg n PRO 106 Ca -0.17 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 2fjg n PRO 106 Cb 0.52 -2.28 0.76 0.00 -0.02 0.00 0.00 33.50 32.48 2fjg n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65