#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 4.78 0.36 2.52 1.01 -1.26 -5.00 120.40 122.81 2fjg s VAL 15 Ca 0.00 1.98 -0.26 0.00 0.00 0.00 0.00 61.98 63.70 2fjg s VAL 15 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2fjg s VAL 15 CO 0.00 -0.03 1.06 -0.54 0.00 0.00 0.00 175.10 175.59 2fjg s LYS 16 N 2.26 4.31 0.14 2.72 1.02 -1.26 -4.82 119.74 124.11 2fjg s LYS 16 Ca 0.46 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.75 2fjg s LYS 16 Cb -0.17 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 2fjg s LYS 16 CO 0.15 -0.03 1.57 0.35 -0.92 0.00 0.00 175.35 176.47 2fjg h PHE 17 N 2.91 -1.38 -0.52 3.18 3.57 -2.00 0.20 116.94 122.90 2fjg h PHE 17 Ca -0.48 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.21 2fjg h PHE 17 Cb 1.21 0.64 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 2fjg h PHE 17 CO 0.58 -0.48 0.36 0.52 -2.23 0.00 0.00 178.31 177.06 2fjg h MET 18 N -0.42 0.16 0.67 1.11 2.86 -1.98 0.00 114.93 117.33 2fjg h MET 18 Ca 0.10 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2fjg h MET 18 Cb 0.61 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.24 2fjg h MET 18 CO -0.52 0.11 -0.32 -0.44 1.06 0.00 0.00 176.91 176.80 2fjg h ASP 19 N 0.17 -0.76 -0.19 1.22 3.32 -0.99 -2.00 116.42 117.19 2fjg h ASP 19 Ca 0.24 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.33 2fjg h ASP 19 Cb 0.74 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 2fjg h ASP 19 CO -0.04 -0.46 -0.09 0.58 -1.72 0.00 0.00 179.24 177.51 2fjg h VAL 20 N -1.03 0.70 -0.18 -1.35 2.07 -0.89 -0.55 116.25 115.01 2fjg h VAL 20 Ca -0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2fjg h VAL 20 Cb 0.72 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2fjg h VAL 20 CO 0.15 0.00 -0.41 0.22 0.02 0.00 0.00 177.57 177.55 2fjg h TYR 21 N -0.07 -1.17 -0.71 1.57 3.20 -1.08 -1.38 116.97 117.32 2fjg h TYR 21 Ca 0.10 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2fjg h TYR 21 Cb 0.23 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2fjg h TYR 21 CO -0.25 -0.46 0.41 1.96 -1.64 0.00 0.00 178.16 178.18 2fjg h GLN 22 N -0.45 0.98 0.00 1.82 4.20 -1.01 -2.90 115.11 117.75 2fjg h GLN 22 Ca 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2fjg h GLN 22 Cb 0.61 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2fjg h GLN 22 CO -0.43 0.72 0.00 0.54 -0.67 0.00 0.00 178.83 178.99 2fjg n ARG 23 N -4.51 0.16 -0.00 1.46 1.74 -0.25 -3.14 116.66 112.13 2fjg n ARG 23 Ca 0.06 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 2fjg n ARG 23 Cb 0.07 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 2fjg n ARG 23 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2fjg n SER 24 N -1.41 0.70 -4.81 0.55 2.88 -0.57 -5.01 113.62 105.96 2fjg n SER 24 Ca 0.09 -0.62 -0.35 0.00 -1.33 0.00 0.00 58.87 56.65 2fjg n SER 24 Cb 0.25 1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.69 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 -1.89 3.58 -0.10 0.66 6.14 -1.13 -1.98 117.35 122.63 2fjg s TYR 25 Ca 0.02 1.53 -0.09 0.00 0.64 0.00 0.00 57.07 59.18 2fjg s TYR 25 Cb 0.06 -2.74 -0.04 0.00 0.42 0.00 0.00 41.96 39.66 2fjg s TYR 25 CO 0.35 0.20 0.42 0.00 0.64 0.00 0.00 175.55 177.16 2fjg s HIS 27 N 1.18 0.45 0.03 0.00 -3.43 -0.71 -4.77 115.29 108.05 2fjg s HIS 27 Ca 0.23 -0.85 -0.30 0.00 -0.80 0.00 0.00 55.06 53.34 2fjg s HIS 27 Cb -0.29 0.29 -0.07 0.00 -1.43 0.00 0.00 32.58 31.08 2fjg s HIS 27 CO 0.13 -1.17 1.50 -2.14 -2.00 0.00 0.00 174.74 171.06 2fjg s PRO 28 N -3.42 4.25 -0.01 -0.38 0.02 -1.26 -1.72 135.00 132.48 2fjg s PRO 28 Ca 0.22 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.40 2fjg s PRO 28 Cb -0.02 -3.56 -0.01 0.00 0.02 0.00 0.00 34.50 30.93 2fjg s PRO 28 CO 0.12 -0.63 -0.12 -1.50 -0.33 0.00 0.00 177.00 174.54 2fjg s ILE 29 N 2.42 0.93 0.14 2.83 2.07 -0.72 -4.89 121.20 123.98 2fjg s ILE 29 Ca 0.68 -0.51 -0.34 0.00 -1.41 0.00 0.00 60.65 59.07 2fjg s ILE 29 Cb -0.35 -0.78 -0.13 0.00 0.13 0.00 0.00 42.46 41.33 2fjg s ILE 29 CO 0.29 0.26 1.64 1.21 -1.91 0.00 0.00 174.94 176.42 2fjg n GLU 30 N 2.77 2.26 -4.02 3.50 2.13 -1.26 -2.27 120.64 123.75 2fjg n GLU 30 Ca -0.14 0.82 -0.16 0.00 0.66 0.00 0.00 57.16 58.34 2fjg n GLU 30 Cb 0.56 -2.61 -0.15 0.00 0.27 0.00 0.00 31.44 29.51 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 1.32 0.26 -0.36 6.31 2.01 0.10 -4.93 115.64 120.36 2fjg s THR 31 Ca 0.80 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 2fjg s THR 31 Cb -0.65 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 2fjg s THR 31 CO 0.38 0.12 0.40 -0.76 -0.69 0.00 0.00 174.62 174.07 2fjg s LEU 32 N 0.44 4.54 -0.14 4.42 1.43 -1.26 -1.40 118.68 126.71 2fjg s LEU 32 Ca -0.04 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2fjg s LEU 32 Cb -0.07 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2fjg s LEU 32 CO -0.01 -0.41 -0.22 -0.69 0.23 0.00 0.00 176.35 175.25 2fjg s VAL 33 N 2.08 2.07 0.18 -1.59 1.01 -0.61 -4.92 120.40 118.63 2fjg s VAL 33 Ca 0.12 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 2fjg s VAL 33 Cb -0.17 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 2fjg s VAL 33 CO 0.12 0.55 1.42 -0.62 0.00 0.00 0.00 175.10 176.57 2fjg s ASP 34 N 0.85 6.75 0.29 3.32 2.15 -1.26 -1.30 116.67 127.46 2fjg s ASP 34 Ca -0.06 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.41 2fjg s ASP 34 Cb -0.15 -2.60 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 2fjg s ASP 34 CO -0.03 -0.67 1.80 0.40 -0.17 0.00 0.00 175.17 176.50 2fjg h ILE 35 N 3.90 1.23 -0.71 4.11 2.04 -0.88 -2.71 117.51 124.49 2fjg h ILE 35 Ca -0.44 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 64.57 2fjg h ILE 35 Cb 1.21 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2fjg h ILE 35 CO 0.83 0.33 0.47 0.15 0.00 0.00 0.00 178.15 179.92 2fjg h PHE 36 N 0.66 0.65 0.00 1.37 3.57 -1.83 -0.02 116.94 121.33 2fjg h PHE 36 Ca 0.13 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.47 2fjg h PHE 36 Cb 0.41 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2fjg h PHE 36 CO 0.02 0.31 -0.86 1.96 -2.23 0.00 0.00 178.31 177.52 2fjg h GLN 37 N 0.62 0.00 0.00 1.11 4.20 -1.87 -2.17 115.11 117.00 2fjg h GLN 37 Ca 0.32 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 2fjg h GLN 37 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2fjg h GLN 37 CO -0.11 0.86 -0.41 0.93 -0.67 0.00 0.00 178.83 179.42 2fjg h GLU 38 N 0.00 0.00 -2.12 1.46 4.39 -1.33 -3.38 114.58 113.60 2fjg h GLU 38 Ca -0.01 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.12 2fjg h GLU 38 Cb 1.60 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.85 2fjg h GLU 38 CO 0.11 0.41 -0.98 0.66 -1.16 0.00 0.00 179.01 178.06 2fjg n TYR 39 N -3.77 0.40 0.23 4.33 4.02 -0.09 -4.96 117.16 117.31 2fjg n TYR 39 Ca -0.01 -3.66 0.07 0.00 -0.01 0.00 0.00 57.90 54.29 2fjg n TYR 39 Cb 0.48 -0.31 0.54 0.00 -0.02 0.00 0.00 39.34 40.02 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 4.30 0.00 0.00 -0.72 0.11 -1.59 -2.78 132.00 131.32 2fjg h PRO 40 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2fjg h PRO 40 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2fjg h PRO 40 CO 0.52 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 2fjg n ASP 41 N -4.17 0.00 -3.25 -2.05 5.75 -1.26 -4.15 116.55 107.42 2fjg n ASP 41 Ca -0.02 0.46 -0.36 0.00 -0.01 0.00 0.00 54.79 54.86 2fjg n ASP 41 Cb 0.26 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.87 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 -1.48 4.29 0.00 0.11 1.02 -1.05 -4.73 120.64 118.79 2fjg n GLU 42 Ca 0.05 -4.53 0.13 0.00 -0.02 0.00 0.00 57.16 52.79 2fjg n GLU 42 Cb 0.21 -2.36 0.47 0.00 -0.02 0.00 0.00 31.44 29.74 2fjg n GLU 42 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2fjg n ILE 43 N -0.22 0.00 0.56 -3.67 -6.64 -1.26 -3.20 119.36 104.93 2fjg n ILE 43 Ca 0.43 -0.02 0.10 0.00 -1.77 0.00 0.00 62.75 61.49 2fjg n ILE 43 Cb 0.32 -0.08 0.41 0.00 -1.44 0.00 0.00 39.64 38.85 2fjg n ILE 43 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2fjg n GLU 44 N -1.34 0.07 -4.36 6.28 4.71 -1.26 -4.80 120.64 119.94 2fjg n GLU 44 Ca 0.08 0.25 -0.24 0.00 -0.01 0.00 0.00 57.16 57.24 2fjg n GLU 44 Cb 0.32 -1.62 -0.09 0.00 -1.01 0.00 0.00 31.44 29.05 2fjg n GLU 44 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2fjg s TYR 45 N -3.09 2.53 0.01 -0.32 1.51 -1.19 -4.50 117.35 112.30 2fjg s TYR 45 Ca 0.08 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 2fjg s TYR 45 Cb 0.11 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2fjg s TYR 45 CO 0.36 0.62 -0.24 0.42 -1.11 0.00 0.00 175.55 175.60 2fjg s ILE 46 N -2.21 2.26 -0.04 2.71 1.01 -0.73 -4.97 121.20 119.23 2fjg s ILE 46 Ca 0.29 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2fjg s ILE 46 Cb -0.07 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2fjg s ILE 46 CO 0.17 0.48 -0.04 -0.36 0.00 0.00 0.00 174.94 175.18 2fjg s PHE 47 N -0.72 2.99 -0.12 3.97 0.40 -1.26 -0.97 117.98 122.27 2fjg s PHE 47 Ca 0.11 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2fjg s PHE 47 Cb -0.10 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.75 2fjg s PHE 47 CO 0.01 0.39 -0.19 0.15 0.70 0.00 0.00 175.22 176.28 2fjg s LYS 48 N -1.11 2.58 0.97 0.44 -0.14 -0.82 -2.85 119.74 118.82 2fjg s LYS 48 Ca 0.15 -0.70 -0.11 0.00 -1.36 0.00 0.00 55.97 53.96 2fjg s LYS 48 Cb -0.11 -2.10 0.18 0.00 -1.68 0.00 0.00 37.83 34.11 2fjg s LYS 48 CO 0.05 -0.01 1.11 -1.25 -0.76 0.00 0.00 175.35 174.49 2fjg s PRO 49 N 0.81 0.58 0.34 -1.68 0.04 -1.26 -0.86 135.00 132.97 2fjg s PRO 49 Ca -0.09 1.35 0.25 0.00 0.04 0.00 0.00 61.00 62.55 2fjg s PRO 49 Cb -0.16 -1.69 0.68 0.00 0.04 0.00 0.00 34.50 33.37 2fjg s PRO 49 CO 0.00 -2.87 1.72 0.66 0.04 0.00 0.00 177.00 176.55 2fjg h SER 50 N -2.03 0.00 -4.42 6.66 4.64 -1.94 -3.47 113.55 112.99 2fjg h SER 50 Ca -0.48 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.55 2fjg h SER 50 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 2fjg h SER 50 CO 0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 175.73 2fjg s VAL 52 N -3.60 0.74 -0.57 0.00 -7.23 -0.42 -4.89 120.40 104.43 2fjg s VAL 52 Ca 0.22 -1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.95 2fjg s VAL 52 Cb 0.06 -0.81 0.04 0.00 0.56 0.00 0.00 36.38 36.23 2fjg s VAL 52 CO 0.03 -0.35 1.00 -2.16 -0.31 0.00 0.00 175.10 173.31 2fjg s PRO 53 N -1.74 3.34 0.02 4.82 0.04 -1.26 -1.57 135.00 138.65 2fjg s PRO 53 Ca -0.06 -0.22 0.05 0.00 0.04 0.00 0.00 61.00 60.80 2fjg s PRO 53 Cb -0.09 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2fjg s PRO 53 CO 0.01 -1.57 -0.12 -0.51 0.04 0.00 0.00 177.00 174.85 2fjg s LEU 54 N 4.20 2.92 -0.35 -3.56 1.43 -0.49 -4.89 118.68 117.94 2fjg s LEU 54 Ca 0.32 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2fjg s LEU 54 Cb -0.12 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2fjg s LEU 54 CO 0.19 0.27 1.14 -0.04 0.23 0.00 0.00 176.35 178.15 2fjg s MET 55 N -1.39 3.96 0.05 1.70 -1.94 -1.26 0.02 119.30 120.43 2fjg s MET 55 Ca 0.16 1.01 0.02 0.00 -1.71 0.00 0.00 55.69 55.17 2fjg s MET 55 Cb -0.11 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 32.90 2fjg s MET 55 CO 0.06 -1.05 -0.08 1.03 -0.01 0.00 0.00 175.02 174.98 2fjg s ARG 56 N 3.94 0.55 0.08 2.03 1.81 -0.96 0.33 118.95 126.72 2fjg s ARG 56 Ca 0.48 -0.81 -0.31 0.00 -1.72 0.00 0.00 55.73 53.38 2fjg s ARG 56 Cb -0.12 -0.27 -0.09 0.00 -0.45 0.00 0.00 34.95 34.02 2fjg s ARG 56 CO 0.20 0.04 1.83 0.00 -0.68 0.00 0.00 175.30 176.69 2fjg s GLY 58 N 3.14 1.09 0.00 0.00 0.00 -0.70 -4.92 107.32 105.93 2fjg s GLY 58 Ca 0.81 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2fjg s GLY 58 CO 0.37 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 173.01 2fjg n GLY 59 N -0.34 -0.12 3.64 0.20 0.00 -1.26 -1.73 105.19 105.58 2fjg n GLY 59 Ca 0.01 -2.28 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 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 0.90 -1.66 0.00 0.00 3.02 -1.26 -4.51 115.26 111.75 2fjg n ASN 62 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 2fjg n ASN 62 Cb 0.48 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 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 -0.09 0.00 0.00 6.41 10.43 -1.26 -5.16 116.55 126.88 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 0.14 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.10 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 0.00 0.00 -0.08 -1.24 -0.00 -1.26 -4.92 120.64 113.13 2fjg n GLU 64 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.28 2fjg n GLU 64 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 31.44 31.70 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 -0.59 0.95 3.61 -1.84 0.00 -1.26 -4.78 105.19 101.27 2fjg n GLY 65 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 1.00 3.11 -4.04 0.99 4.77 -1.26 -1.48 117.00 120.10 2fjg n LEU 66 Ca 0.17 0.90 -0.09 0.00 -0.03 0.00 0.00 56.01 56.97 2fjg n LEU 66 Cb 0.51 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.12 2fjg n LEU 66 CO 0.15 -1.73 -0.36 -1.83 -1.33 0.00 0.00 177.39 172.29 2fjg s GLU 67 N -2.40 0.47 -0.69 3.23 -1.05 -0.19 -4.90 118.70 113.17 2fjg s GLU 67 Ca 0.70 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 54.48 2fjg s GLU 67 Cb -0.47 0.11 0.18 0.00 -0.44 0.00 0.00 34.13 33.50 2fjg s GLU 67 CO 0.52 -0.07 0.63 0.00 0.95 0.00 0.00 175.26 177.29 2fjg s VAL 69 N 0.81 2.90 0.44 0.00 -7.23 -0.90 -4.73 120.40 111.70 2fjg s VAL 69 Ca 0.11 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 2fjg s VAL 69 Cb -0.19 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 2fjg s VAL 69 CO -0.03 -0.25 1.04 -2.16 -0.31 0.00 0.00 175.10 173.38 2fjg s PRO 70 N -3.18 3.99 -0.01 4.82 0.04 -1.26 -2.27 135.00 137.12 2fjg s PRO 70 Ca 0.27 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2fjg s PRO 70 Cb -0.07 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.18 2fjg s PRO 70 CO 0.15 -0.28 0.87 0.25 0.04 0.00 0.00 177.00 178.03 2fjg n THR 71 N -0.51 0.73 -3.37 1.26 -2.24 -0.78 -4.93 114.28 104.43 2fjg n THR 71 Ca 0.07 -0.78 0.02 0.00 -2.27 0.00 0.00 64.05 61.09 2fjg n THR 71 Cb 0.51 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.84 0.40 0.33 -0.78 2.02 -1.24 -4.88 118.70 113.71 2fjg s GLU 72 Ca 0.04 0.91 0.07 0.00 0.02 0.00 0.00 54.97 56.00 2fjg s GLU 72 Cb 0.03 0.53 -0.07 0.00 0.10 0.00 0.00 34.13 34.73 2fjg s GLU 72 CO 0.00 -0.25 -0.02 -1.21 0.02 0.00 0.00 175.26 173.80 2fjg s GLU 73 N 2.73 1.72 -0.07 1.61 2.02 -1.26 -0.37 118.70 125.07 2fjg s GLU 73 Ca 0.02 -1.92 -0.30 0.00 0.02 0.00 0.00 54.97 52.79 2fjg s GLU 73 Cb -0.10 -1.32 0.09 0.00 0.10 0.00 0.00 34.13 32.91 2fjg s GLU 73 CO -0.18 -0.01 0.81 -1.54 0.02 0.00 0.00 175.26 174.36 2fjg s SER 74 N -3.55 -0.52 0.33 -0.19 1.04 -0.97 -4.86 113.70 104.98 2fjg s SER 74 Ca 0.33 0.50 -0.09 0.00 0.48 0.00 0.00 55.95 57.18 2fjg s SER 74 Cb 0.06 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 2fjg s SER 74 CO 0.15 -0.53 0.65 0.20 0.98 0.00 0.00 173.24 174.69 2fjg s ASN 75 N -1.35 6.53 -0.01 7.02 -0.87 -1.26 -1.21 114.94 123.78 2fjg s ASN 75 Ca -0.06 0.95 0.01 0.00 -1.57 0.00 0.00 52.86 52.20 2fjg s ASN 75 Cb -0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 41.25 38.99 2fjg s ASN 75 CO 0.04 -0.25 -0.04 -0.51 -2.57 0.00 0.00 177.10 173.76 2fjg s ILE 76 N -2.14 0.40 -0.14 0.60 2.07 -0.67 -4.92 121.20 116.40 2fjg s ILE 76 Ca 0.48 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.52 2fjg s ILE 76 Cb -0.11 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2fjg s ILE 76 CO 0.28 0.14 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.55 2fjg s THR 77 N 0.18 4.18 0.06 4.00 2.01 -1.26 -1.70 115.64 123.11 2fjg s THR 77 Ca -0.02 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2fjg s THR 77 Cb -0.05 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 2fjg s THR 77 CO -0.00 0.52 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.30 2fjg s MET 78 N -0.03 0.71 -0.42 4.92 -1.94 -0.45 -4.97 119.30 117.13 2fjg s MET 78 Ca 0.03 -0.91 -0.19 0.00 -1.71 0.00 0.00 55.69 52.90 2fjg s MET 78 Cb -0.13 -0.58 0.02 0.00 2.01 0.00 0.00 34.83 36.15 2fjg s MET 78 CO 0.02 0.12 0.58 -0.65 -0.01 0.00 0.00 175.02 175.07 2fjg s GLN 79 N -1.84 3.32 -0.05 2.03 -0.21 -1.26 -1.41 119.66 120.24 2fjg s GLN 79 Ca -0.04 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.00 2fjg s GLN 79 Cb -0.09 -3.92 -0.02 0.00 1.00 0.00 0.00 33.01 29.98 2fjg s GLN 79 CO 0.01 -0.90 -0.22 0.42 -2.12 0.00 0.00 175.29 172.48 2fjg s ILE 80 N 2.59 2.32 -0.38 1.08 -1.09 0.13 -4.89 121.20 120.96 2fjg s ILE 80 Ca 0.20 -0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 2fjg s ILE 80 Cb -0.15 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 2fjg s ILE 80 CO 0.17 0.57 1.51 -0.32 -1.23 0.00 0.00 174.94 175.65 2fjg s MET 81 N -0.38 3.53 -0.18 2.79 -2.45 -0.04 -0.43 119.30 122.15 2fjg s MET 81 Ca 0.03 1.09 -0.24 0.00 -1.25 0.00 0.00 55.69 55.32 2fjg s MET 81 Cb -0.12 -4.07 -0.02 0.00 1.25 0.00 0.00 34.83 31.88 2fjg s MET 81 CO 0.02 -1.62 0.80 1.03 1.05 0.00 0.00 175.02 176.29 2fjg s ARG 82 N 5.10 4.28 -0.16 4.11 0.52 0.07 -1.94 118.95 130.93 2fjg s ARG 82 Ca 0.66 0.94 0.01 0.00 -0.52 0.00 0.00 55.73 56.82 2fjg s ARG 82 Cb -0.16 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.73 2fjg s ARG 82 CO 0.33 -0.32 -0.17 0.42 0.02 0.00 0.00 175.30 175.58 2fjg s ILE 83 N 2.14 2.48 -0.42 1.52 1.01 -0.14 -1.10 121.20 126.68 2fjg s ILE 83 Ca 0.36 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2fjg s ILE 83 Cb -0.16 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2fjg s ILE 83 CO 0.12 0.52 0.66 -0.54 0.00 0.00 0.00 174.94 175.70 2fjg s LYS 84 N 0.88 3.38 0.34 2.79 1.02 0.35 -1.78 119.74 126.72 2fjg s LYS 84 Ca -0.04 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 2fjg s LYS 84 Cb -0.15 -3.92 -0.10 0.00 -0.52 0.00 0.00 37.83 33.14 2fjg s LYS 84 CO -0.02 -0.97 1.32 -2.14 -0.92 0.00 0.00 175.35 172.62 2fjg s PRO 85 N 2.87 4.33 -0.33 -1.68 0.02 -1.26 -1.62 135.00 137.33 2fjg s PRO 85 Ca 0.24 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2fjg s PRO 85 Cb -0.14 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2fjg s PRO 85 CO 0.19 -0.22 0.00 0.72 -0.33 0.00 0.00 177.00 177.36 2fjg n HIS 86 N 0.75 -0.08 0.00 6.54 8.25 -1.26 -4.80 115.22 124.62 2fjg n HIS 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2fjg n HIS 86 Cb 0.42 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.80 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 0.05 0.00 -4.00 -0.41 6.02 -0.64 -5.16 117.38 113.23 2fjg n GLN 87 Ca -0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.99 2fjg n GLN 87 Cb 0.35 -0.36 0.01 0.00 1.02 0.00 0.00 30.24 31.26 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 -4.99 -0.14 -0.10 1.08 0.00 -0.68 -5.01 107.32 97.48 2fjg s GLY 88 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 2fjg s GLY 88 CO 0.00 5.99 0.35 -0.86 0.00 0.00 0.00 173.10 178.57 2fjg s GLN 89 N -2.02 0.50 -0.09 2.90 -2.07 -1.26 -0.49 119.66 117.13 2fjg s GLN 89 Ca 0.30 0.28 -0.06 0.00 -1.82 0.00 0.00 55.36 54.06 2fjg s GLN 89 Cb -0.00 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 32.18 2fjg s GLN 89 CO -0.01 -0.09 0.21 -1.58 -1.32 0.00 0.00 175.29 172.50 2fjg s HIS 90 N -0.29 -0.25 -0.44 9.60 2.46 -0.26 -5.00 115.29 121.10 2fjg s HIS 90 Ca -0.04 0.62 -0.28 0.00 0.47 0.00 0.00 55.06 55.83 2fjg s HIS 90 Cb -0.03 0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.49 2fjg s HIS 90 CO 0.02 -0.16 1.06 0.42 -2.47 0.00 0.00 174.74 173.61 2fjg s ILE 91 N 0.59 4.35 0.38 0.89 1.01 -1.26 -0.75 121.20 126.42 2fjg s ILE 91 Ca -0.04 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.87 2fjg s ILE 91 Cb -0.05 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2fjg s ILE 91 CO -0.03 -0.85 0.19 -0.83 0.00 0.00 0.00 174.94 173.42 2fjg s GLY 92 N 2.24 2.16 -0.13 6.18 0.00 0.43 -4.90 107.32 113.30 2fjg s GLY 92 Ca 0.44 -1.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.02 2fjg s GLY 92 CO 0.27 -1.83 0.44 -0.54 0.00 0.00 0.00 173.10 171.44 2fjg s GLU 93 N -3.91 4.31 0.09 2.90 2.02 -1.26 -0.69 118.70 122.16 2fjg s GLU 93 Ca 0.41 0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.84 2fjg s GLU 93 Cb 0.00 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2fjg s GLU 93 CO 0.23 0.15 -0.21 -1.64 0.02 0.00 0.00 175.26 173.82 2fjg s MET 94 N 0.67 1.17 0.00 1.61 -1.94 -0.50 -4.96 119.30 115.35 2fjg s MET 94 Ca 0.24 -1.12 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2fjg s MET 94 Cb -0.15 -1.40 -0.03 0.00 2.01 0.00 0.00 34.83 35.26 2fjg s MET 94 CO 0.09 0.33 -0.12 0.45 -0.01 0.00 0.00 175.02 175.76 2fjg s SER 95 N -1.76 4.26 0.04 3.03 0.15 -1.26 -1.35 113.70 116.80 2fjg s SER 95 Ca 0.06 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.50 2fjg s SER 95 Cb -0.10 -0.89 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2fjg s SER 95 CO 0.04 0.29 -0.09 -0.36 1.20 0.00 0.00 173.24 174.32 2fjg s PHE 96 N -0.92 0.76 0.35 3.44 0.08 -0.69 -4.98 117.98 116.03 2fjg s PHE 96 Ca 0.15 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.53 2fjg s PHE 96 Cb -0.11 -0.45 -0.10 0.00 -0.57 0.00 0.00 43.02 41.79 2fjg s PHE 96 CO 0.05 -0.04 0.95 -1.17 -0.10 0.00 0.00 175.22 174.91 2fjg s LEU 97 N -1.34 4.24 0.09 -0.37 2.96 -1.26 -1.67 118.68 121.33 2fjg s LEU 97 Ca -0.06 1.80 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 2fjg s LEU 97 Cb -0.09 -4.15 -0.04 0.00 0.50 0.00 0.00 46.19 42.42 2fjg s LEU 97 CO 0.01 -0.14 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.71 2fjg s GLN 98 N -2.33 0.80 -0.22 1.98 -0.21 -0.35 -4.81 119.66 114.52 2fjg s GLN 98 Ca 0.53 -1.17 -0.05 0.00 0.02 0.00 0.00 55.36 54.70 2fjg s GLN 98 Cb -0.16 -0.39 -0.02 0.00 1.00 0.00 0.00 33.01 33.44 2fjg s GLN 98 CO 0.21 0.04 -0.00 -1.01 -2.12 0.00 0.00 175.29 172.41 2fjg s HIS 99 N -2.70 3.01 -0.19 0.91 3.76 0.15 -2.29 115.29 117.94 2fjg s HIS 99 Ca 0.06 -0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 54.09 2fjg s HIS 99 Cb -0.01 -2.13 -0.21 0.00 1.11 0.00 0.00 32.58 31.34 2fjg s HIS 99 CO -0.01 -0.41 0.28 -0.91 -0.85 0.00 0.00 174.74 172.83 2fjg h ASN 100 N 7.96 0.06 -4.15 1.40 2.35 -1.01 -3.42 115.58 118.76 2fjg h ASN 100 Ca -0.39 -0.60 -0.57 0.00 -0.55 0.00 0.00 56.30 54.20 2fjg h ASN 100 Cb 1.17 -0.02 -0.22 0.00 0.05 0.00 0.00 38.32 39.30 2fjg h ASN 100 CO 0.60 1.51 -0.83 -0.54 -1.65 0.00 0.00 177.43 176.51 2fjg s LYS 101 N -2.38 1.15 0.38 0.81 3.01 -1.16 -4.79 119.74 116.75 2fjg s LYS 101 Ca -0.27 -1.18 0.04 0.00 -1.01 0.00 0.00 55.97 53.54 2fjg s LYS 101 Cb 0.05 -1.43 -0.03 0.00 -1.01 0.00 0.00 37.83 35.41 2fjg s LYS 101 CO 0.62 0.33 0.11 0.00 0.51 0.00 0.00 175.35 176.92 2fjg s GLU 103 N -3.78 0.15 -0.25 0.00 2.02 -0.96 -4.84 118.70 111.04 2fjg s GLU 103 Ca 0.27 0.14 -0.21 0.00 0.02 0.00 0.00 54.97 55.18 2fjg s GLU 103 Cb 0.04 0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.33 2fjg s GLU 103 CO 0.14 -0.03 0.68 0.00 0.02 0.00 0.00 175.26 176.08 2fjg s ARG 105 N 2.59 1.13 0.57 0.00 0.52 0.09 -4.85 118.95 119.00 2fjg s ARG 105 Ca 0.28 -0.71 -0.21 0.00 -0.52 0.00 0.00 55.73 54.57 2fjg s ARG 105 Cb -0.15 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.13 2fjg s ARG 105 CO 0.08 0.30 1.31 -2.14 0.02 0.00 0.00 175.30 174.87 2fjg s PRO 106 N -0.86 3.03 0.31 3.54 0.02 -1.26 -1.02 135.00 138.76 2fjg s PRO 106 Ca 0.04 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.20 2fjg s PRO 106 Cb -0.07 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2fjg s PRO 106 CO 0.01 -1.24 0.46 0.21 -0.33 0.00 0.00 177.00 176.12 2fjg s LYS 107 N -3.05 3.39 0.00 5.54 2.20 -0.55 -4.85 119.74 122.42 2fjg s LYS 107 Ca 0.74 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2fjg s LYS 107 Cb -0.38 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2fjg s LYS 107 CO 0.43 0.23 0.00 1.17 -0.36 0.00 0.00 175.35 176.82