#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjh s GLU 13 N 0.00 4.17 0.41 -0.41 2.12 -1.26 -5.09 118.70 118.65 2fjh s GLU 13 Ca 0.00 -0.23 -0.24 0.00 0.36 0.00 0.00 54.97 54.86 2fjh s GLU 13 Cb 0.00 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 2fjh s GLU 13 CO 0.00 0.27 1.09 0.08 -0.54 0.00 0.00 175.26 176.17 2fjh s VAL 14 N 0.44 3.50 -0.12 3.70 1.01 -1.26 -5.03 120.40 122.64 2fjh s VAL 14 Ca 0.08 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 2fjh s VAL 14 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2fjh s VAL 14 CO -0.01 0.03 0.49 -0.69 0.00 0.00 0.00 175.10 174.91 2fjh s VAL 15 N -1.58 5.18 0.31 2.92 1.01 -1.26 -5.04 120.40 121.94 2fjh s VAL 15 Ca 0.59 0.98 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 2fjh s VAL 15 Cb -0.25 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2fjh s VAL 15 CO 0.31 0.32 1.15 -0.75 0.00 0.00 0.00 175.10 176.13 2fjh s LYS 16 N 0.66 4.49 0.22 2.72 2.47 -1.26 -4.78 119.74 124.26 2fjh s LYS 16 Ca 0.27 1.89 -0.10 0.00 -1.56 0.00 0.00 55.97 56.47 2fjh s LYS 16 Cb -0.15 -3.08 0.33 0.00 -1.46 0.00 0.00 37.83 33.47 2fjh s LYS 16 CO 0.11 0.05 1.65 0.35 0.16 0.00 0.00 175.35 177.67 2fjh h PHE 17 N 3.53 -0.06 -0.79 4.03 3.57 -1.99 0.29 116.94 125.52 2fjh h PHE 17 Ca -0.47 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.19 2fjh h PHE 17 Cb 1.22 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 40.00 2fjh h PHE 17 CO 0.58 -0.19 0.41 1.98 -2.23 0.00 0.00 178.31 178.85 2fjh h MET 18 N 0.11 0.63 -0.27 1.11 4.05 -2.00 -1.55 114.93 117.02 2fjh h MET 18 Ca 0.35 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 59.56 2fjh h MET 18 Cb 0.58 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2fjh h MET 18 CO -0.58 0.42 -0.51 -0.44 0.23 0.00 0.00 176.91 176.04 2fjh h ASP 19 N 0.65 0.82 -0.55 1.39 3.32 -0.86 -1.61 116.42 119.58 2fjh h ASP 19 Ca 0.41 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2fjh h ASP 19 Cb 0.48 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2fjh h ASP 19 CO -0.30 1.18 0.19 0.58 -1.72 0.00 0.00 179.24 179.16 2fjh h VAL 20 N 0.59 1.23 -0.02 -1.35 2.07 -0.72 -1.04 116.25 117.01 2fjh h VAL 20 Ca 0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2fjh h VAL 20 Cb 1.08 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2fjh h VAL 20 CO 0.11 0.29 0.02 0.22 0.02 0.00 0.00 177.57 178.22 2fjh h TYR 21 N 0.77 0.03 -0.40 1.57 5.03 -1.12 -2.14 116.97 120.71 2fjh h TYR 21 Ca 0.18 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.52 2fjh h TYR 21 Cb 0.26 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 2fjh h TYR 21 CO 0.01 0.04 0.19 0.37 -1.32 0.00 0.00 178.16 177.44 2fjh h GLN 22 N 0.02 0.37 0.00 1.82 -0.00 -1.18 -2.41 115.11 113.73 2fjh h GLN 22 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2fjh h GLN 22 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.41 2fjh h GLN 22 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 178.83 179.07 2fjh h ARG 23 N 0.38 0.00 -0.01 1.69 3.08 -0.71 -3.14 114.38 115.68 2fjh h ARG 23 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2fjh h ARG 23 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2fjh h ARG 23 CO -0.13 0.00 -0.08 -1.13 -1.07 0.00 0.00 179.97 177.56 2fjh n SER 24 N -2.48 1.13 -4.76 7.04 3.41 -0.85 -4.98 113.62 112.13 2fjh n SER 24 Ca 0.03 -1.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 2fjh n SER 24 Cb 0.31 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 2fjh n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2fjh s TYR 25 N -0.83 2.76 -0.06 7.33 5.04 -0.93 -1.31 117.35 129.35 2fjh s TYR 25 Ca 0.06 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.64 2fjh s TYR 25 Cb 0.05 -3.98 -0.02 0.00 0.35 0.00 0.00 41.96 38.36 2fjh s TYR 25 CO 0.12 -3.09 0.20 0.00 -1.34 0.00 0.00 175.55 171.44 2fjh s HIS 27 N 0.42 -0.29 -0.09 0.00 -3.43 0.15 -4.86 115.29 107.20 2fjh s HIS 27 Ca 0.12 -0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 54.03 2fjh s HIS 27 Cb -0.17 0.65 -0.02 0.00 -1.43 0.00 0.00 32.58 31.61 2fjh s HIS 27 CO 0.09 -1.02 1.03 -2.14 -2.00 0.00 0.00 174.74 170.70 2fjh s PRO 28 N -3.71 4.42 0.01 -0.38 0.02 -1.26 -0.22 135.00 133.88 2fjh s PRO 28 Ca 0.08 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.56 2fjh s PRO 28 Cb -0.04 -3.54 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 2fjh s PRO 28 CO -0.00 -0.31 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.75 2fjh s ILE 29 N 1.96 0.80 0.08 2.83 2.07 0.10 -4.85 121.20 124.20 2fjh s ILE 29 Ca 0.49 -0.61 -0.32 0.00 -1.41 0.00 0.00 60.65 58.80 2fjh s ILE 29 Cb -0.19 -0.71 -0.11 0.00 0.13 0.00 0.00 42.46 41.58 2fjh s ILE 29 CO 0.19 0.10 1.84 1.21 -1.91 0.00 0.00 174.94 176.36 2fjh n GLU 30 N 2.47 2.64 -4.63 3.50 2.13 -1.26 -1.69 120.64 123.81 2fjh n GLU 30 Ca -0.16 0.96 -0.26 0.00 0.66 0.00 0.00 57.16 58.37 2fjh n GLU 30 Cb 0.56 -2.85 -0.17 0.00 0.27 0.00 0.00 31.44 29.26 2fjh n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2fjh s THR 31 N 3.00 1.28 -0.51 6.31 2.01 0.26 -4.92 115.64 123.07 2fjh s THR 31 Ca 0.84 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.01 2fjh s THR 31 Cb -0.53 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2fjh s THR 31 CO 0.40 0.39 1.09 -0.76 -0.69 0.00 0.00 174.62 175.06 2fjh s LEU 32 N 0.69 3.70 -0.12 4.42 1.43 -1.26 -0.41 118.68 127.13 2fjh s LEU 32 Ca -0.14 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2fjh s LEU 32 Cb -0.16 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2fjh s LEU 32 CO 0.03 -1.28 0.02 -0.69 0.23 0.00 0.00 176.35 174.67 2fjh s VAL 33 N 4.41 4.45 0.18 -1.59 1.01 0.18 -4.90 120.40 124.14 2fjh s VAL 33 Ca 0.43 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2fjh s VAL 33 Cb -0.08 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 2fjh s VAL 33 CO 0.28 0.56 1.30 -1.81 0.00 0.00 0.00 175.10 175.42 2fjh s ASP 34 N -0.41 6.92 0.38 3.32 1.01 -1.26 -1.46 116.67 125.18 2fjh s ASP 34 Ca 0.08 2.34 0.12 0.00 0.71 0.00 0.00 52.55 55.80 2fjh s ASP 34 Cb -0.12 -2.60 0.77 0.00 1.01 0.00 0.00 42.92 41.97 2fjh s ASP 34 CO 0.02 -0.52 1.87 0.40 0.21 0.00 0.00 175.17 177.15 2fjh h ILE 35 N 3.87 1.22 -0.89 0.77 2.04 -1.23 -2.17 117.51 121.12 2fjh h ILE 35 Ca -0.44 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.41 2fjh h ILE 35 Cb 1.21 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 2fjh h ILE 35 CO 0.78 0.30 0.59 0.15 0.00 0.00 0.00 178.15 179.97 2fjh h PHE 36 N 0.08 1.09 -0.00 1.37 3.04 -1.83 0.15 116.94 120.84 2fjh h PHE 36 Ca 0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2fjh h PHE 36 Cb 0.53 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 2fjh h PHE 36 CO 0.00 0.65 0.00 1.96 -2.02 0.00 0.00 178.31 178.90 2fjh h GLN 37 N 1.14 0.00 0.00 1.11 7.50 -1.78 -2.43 115.11 120.65 2fjh h GLN 37 Ca 0.35 -0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.43 2fjh h GLN 37 Cb -0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2fjh h GLN 37 CO -0.10 0.02 -0.31 0.93 -1.50 0.00 0.00 178.83 177.87 2fjh h GLU 38 N -0.02 0.00 -2.10 1.46 4.39 -1.34 -3.35 114.58 113.62 2fjh h GLU 38 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2fjh h GLU 38 Cb 0.02 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.26 2fjh h GLU 38 CO -0.00 0.31 -0.87 0.66 -1.16 0.00 0.00 179.01 177.95 2fjh n TYR 39 N -3.96 1.74 1.23 4.33 4.01 0.48 -4.95 117.16 120.04 2fjh n TYR 39 Ca -0.02 -3.87 0.12 0.00 -0.16 0.00 0.00 57.90 53.98 2fjh n TYR 39 Cb 0.38 -0.45 0.64 0.00 -0.31 0.00 0.00 39.34 39.59 2fjh n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2fjh n PRO 40 N 0.89 0.42 0.02 -0.72 -0.04 -0.93 -2.57 135.00 132.08 2fjh n PRO 40 Ca 0.26 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2fjh n PRO 40 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.70 2fjh n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fjh n ASP 41 N -1.24 0.53 -4.46 3.54 8.00 -1.26 -4.55 116.55 117.12 2fjh n ASP 41 Ca 0.13 -0.03 -0.44 0.00 0.71 0.00 0.00 54.79 55.16 2fjh n ASP 41 Cb 0.18 0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2fjh n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2fjh s GLU 42 N -3.07 4.11 -0.05 -1.24 0.41 -1.06 -4.71 118.70 113.09 2fjh s GLU 42 Ca 0.09 -2.64 -0.11 0.00 -0.41 0.00 0.00 54.97 51.91 2fjh s GLU 42 Cb 0.16 -5.03 -0.31 0.00 -1.78 0.00 0.00 34.13 27.17 2fjh s GLU 42 CO 0.69 -1.73 0.68 -0.84 -0.49 0.00 0.00 175.26 173.57 2fjh h ILE 43 N 4.58 0.94 0.00 -1.63 3.07 -1.86 -3.36 117.51 119.25 2fjh h ILE 43 Ca 0.31 -2.52 -0.04 0.00 1.55 0.00 0.00 64.86 64.15 2fjh h ILE 43 Cb 0.87 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 40.18 2fjh h ILE 43 CO 1.23 0.86 -0.21 1.05 -1.05 0.00 0.00 178.15 180.03 2fjh h GLU 44 N 0.11 0.00 -6.51 0.16 9.09 -1.98 -3.44 114.58 112.00 2fjh h GLU 44 Ca -0.34 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.54 2fjh h GLU 44 Cb 2.10 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 29.17 2fjh h GLU 44 CO 0.18 0.21 -0.02 0.71 0.05 0.00 0.00 179.01 180.14 2fjh s TYR 45 N -4.46 3.47 -0.13 2.06 1.51 -1.26 -4.51 117.35 114.03 2fjh s TYR 45 Ca -0.03 1.07 -0.04 0.00 -1.01 0.00 0.00 57.07 57.06 2fjh s TYR 45 Cb 0.15 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2fjh s TYR 45 CO 0.68 0.26 0.01 0.42 -1.11 0.00 0.00 175.55 175.81 2fjh s ILE 46 N -1.76 4.30 0.16 2.71 1.09 -0.65 -4.93 121.20 122.13 2fjh s ILE 46 Ca 0.47 -0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.83 2fjh s ILE 46 Cb -0.12 -2.87 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 2fjh s ILE 46 CO 0.20 0.53 0.24 -0.36 -0.10 0.00 0.00 174.94 175.45 2fjh s PHE 47 N -0.14 3.37 -0.27 3.97 0.08 -1.26 -0.03 117.98 123.70 2fjh s PHE 47 Ca 0.05 0.06 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 2fjh s PHE 47 Cb -0.13 -1.61 0.16 0.00 -0.57 0.00 0.00 43.02 40.88 2fjh s PHE 47 CO 0.02 0.51 0.47 0.21 -0.10 0.00 0.00 175.22 176.33 2fjh s LYS 48 N -3.25 0.44 0.75 0.44 2.47 -0.75 -3.25 119.74 116.59 2fjh s LYS 48 Ca 0.33 0.68 -0.13 0.00 -1.56 0.00 0.00 55.97 55.29 2fjh s LYS 48 Cb -0.11 -0.06 0.05 0.00 -1.46 0.00 0.00 37.83 36.25 2fjh s LYS 48 CO 0.27 -0.68 1.13 -1.25 0.16 0.00 0.00 175.35 174.98 2fjh s PRO 49 N 2.67 2.22 0.54 4.03 0.04 -1.26 -1.41 135.00 141.82 2fjh s PRO 49 Ca 0.15 1.41 0.23 0.00 0.04 0.00 0.00 61.00 62.84 2fjh s PRO 49 Cb -0.15 -1.88 1.39 0.00 0.04 0.00 0.00 34.50 33.91 2fjh s PRO 49 CO -0.19 -1.71 2.04 0.77 0.04 0.00 0.00 177.00 177.96 2fjh h SER 50 N -0.70 0.00 -5.27 6.66 0.02 -1.96 -3.45 113.55 108.84 2fjh h SER 50 Ca -0.45 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 2fjh h SER 50 Cb 1.25 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 2fjh h SER 50 CO 0.50 0.00 -0.47 0.00 -1.14 0.00 0.00 176.83 175.72 2fjh s VAL 52 N -3.95 0.68 -0.09 0.00 -7.23 -0.54 -4.92 120.40 104.35 2fjh s VAL 52 Ca 0.14 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 58.92 2fjh s VAL 52 Cb 0.05 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 2fjh s VAL 52 CO -0.04 -0.35 0.80 -2.16 -0.31 0.00 0.00 175.10 173.05 2fjh s PRO 53 N -1.62 4.41 0.01 4.82 0.04 -1.26 -0.64 135.00 140.77 2fjh s PRO 53 Ca -0.08 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.01 2fjh s PRO 53 Cb -0.10 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 2fjh s PRO 53 CO 0.01 -0.09 -0.06 -0.51 0.04 0.00 0.00 177.00 176.39 2fjh s LEU 54 N 1.30 2.11 -0.38 -3.56 1.43 0.46 -4.90 118.68 115.14 2fjh s LEU 54 Ca 0.41 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 2fjh s LEU 54 Cb -0.18 -0.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 2fjh s LEU 54 CO 0.18 -0.06 1.57 -0.04 0.23 0.00 0.00 176.35 178.24 2fjh s MET 55 N -0.73 3.48 0.05 1.70 -1.94 -1.26 0.91 119.30 121.50 2fjh s MET 55 Ca -0.03 1.14 0.02 0.00 -1.71 0.00 0.00 55.69 55.11 2fjh s MET 55 Cb -0.05 -4.10 -0.03 0.00 2.01 0.00 0.00 34.83 32.66 2fjh s MET 55 CO 0.00 -1.69 -0.08 1.03 -0.01 0.00 0.00 175.02 174.27 2fjh s ARG 56 N 5.24 0.57 0.42 2.03 1.81 -0.68 0.15 118.95 128.48 2fjh s ARG 56 Ca 0.69 -0.82 -0.26 0.00 -1.72 0.00 0.00 55.73 53.62 2fjh s ARG 56 Cb -0.17 -0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 33.92 2fjh s ARG 56 CO 0.33 0.05 1.36 0.00 -0.68 0.00 0.00 175.30 176.36 2fjh s GLY 58 N -0.44 -0.21 0.00 0.00 0.00 0.69 -4.82 107.32 102.55 2fjh s GLY 58 Ca 0.59 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2fjh s GLY 58 CO 0.59 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 174.30 2fjh n GLY 59 N -0.47 -2.06 3.49 0.20 0.00 -1.26 -0.67 105.19 104.41 2fjh n GLY 59 Ca -0.06 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2fjh n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjh n ASN 62 N 0.28 -0.47 -3.17 0.00 6.94 -1.26 -4.93 115.26 112.65 2fjh n ASN 62 Ca 0.07 -0.07 0.05 0.00 -0.02 0.00 0.00 54.58 54.61 2fjh n ASN 62 Cb 0.33 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.57 2fjh n ASN 62 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2fjh s ASP 63 N -1.59 -0.21 0.61 0.53 -1.08 -1.26 -5.05 116.67 108.63 2fjh s ASP 63 Ca 0.01 0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 2fjh s ASP 63 Cb -0.00 1.19 1.50 0.00 -1.46 0.00 0.00 42.92 44.15 2fjh s ASP 63 CO 0.09 -0.04 1.90 -0.08 0.52 0.00 0.00 175.17 177.56 2fjh h GLU 64 N 7.78 0.00 -0.01 4.34 4.57 -2.04 0.70 114.58 129.92 2fjh h GLU 64 Ca -0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2fjh h GLU 64 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2fjh h GLU 64 CO -0.12 0.00 -0.11 0.41 -1.18 0.00 0.00 179.01 178.01 2fjh n GLY 65 N -1.43 -0.67 3.32 1.92 0.00 -1.26 -4.91 105.19 102.15 2fjh n GLY 65 Ca 0.05 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2fjh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fjh s LEU 66 N -2.33 2.32 0.02 0.99 1.43 0.24 -1.54 118.68 119.80 2fjh s LEU 66 Ca 0.32 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2fjh s LEU 66 Cb 0.20 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 2fjh s LEU 66 CO 0.44 0.08 -0.14 -1.83 0.23 0.00 0.00 176.35 175.14 2fjh s GLU 67 N -2.02 1.01 -0.29 1.70 -1.05 0.74 -4.82 118.70 113.97 2fjh s GLU 67 Ca 0.09 -0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 2fjh s GLU 67 Cb -0.10 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.59 2fjh s GLU 67 CO 0.05 0.26 1.29 0.00 0.95 0.00 0.00 175.26 177.81 2fjh s VAL 69 N 4.27 0.15 0.18 0.00 -7.23 -0.31 -4.89 120.40 112.57 2fjh s VAL 69 Ca 0.56 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 2fjh s VAL 69 Cb -0.17 -0.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 2fjh s VAL 69 CO 0.22 -0.67 1.05 -2.16 -0.31 0.00 0.00 175.10 173.23 2fjh s PRO 70 N -2.52 4.66 -0.00 4.82 0.04 -1.26 -1.32 135.00 139.41 2fjh s PRO 70 Ca -0.06 1.63 0.09 0.00 0.04 0.00 0.00 61.00 62.70 2fjh s PRO 70 Cb -0.02 -3.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.11 2fjh s PRO 70 CO -0.05 0.18 0.32 0.25 0.04 0.00 0.00 177.00 177.74 2fjh n THR 71 N 2.27 0.00 -3.77 1.26 -2.24 0.90 -4.90 114.28 107.80 2fjh n THR 71 Ca 0.02 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 2fjh n THR 71 Cb 0.47 0.76 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 2fjh n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2fjh s GLU 72 N -2.12 -0.02 0.34 -0.78 2.12 -1.18 -4.93 118.70 112.13 2fjh s GLU 72 Ca 0.01 0.22 0.09 0.00 0.36 0.00 0.00 54.97 55.65 2fjh s GLU 72 Cb 0.07 -0.23 -0.06 0.00 0.26 0.00 0.00 34.13 34.16 2fjh s GLU 72 CO 0.38 -0.17 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.65 2fjh s GLU 73 N 1.08 1.87 0.27 4.30 2.02 -1.26 0.69 118.70 127.68 2fjh s GLU 73 Ca -0.09 -1.89 -0.17 0.00 0.02 0.00 0.00 54.97 52.85 2fjh s GLU 73 Cb -0.13 -1.76 0.01 0.00 0.10 0.00 0.00 34.13 32.36 2fjh s GLU 73 CO -0.03 0.15 0.61 -1.54 0.02 0.00 0.00 175.26 174.46 2fjh s SER 74 N -3.63 -0.14 0.14 -0.19 1.04 0.49 -4.83 113.70 106.58 2fjh s SER 74 Ca 0.33 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2fjh s SER 74 Cb 0.02 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2fjh s SER 74 CO 0.17 -1.27 0.13 0.21 0.98 0.00 0.00 173.24 173.46 2fjh s ASN 75 N -2.98 5.56 -0.03 7.02 3.84 -1.26 0.15 114.94 127.24 2fjh s ASN 75 Ca 0.17 -0.08 -0.04 0.00 0.21 0.00 0.00 52.86 53.12 2fjh s ASN 75 Cb -0.03 -1.47 0.01 0.00 -0.55 0.00 0.00 41.25 39.20 2fjh s ASN 75 CO 0.08 0.10 0.10 -0.51 -2.79 0.00 0.00 177.10 174.09 2fjh s ILE 76 N -1.64 0.03 -0.10 -5.21 2.07 -0.15 -4.88 121.20 111.32 2fjh s ILE 76 Ca 0.31 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.37 2fjh s ILE 76 Cb -0.11 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2fjh s ILE 76 CO 0.23 -0.12 -0.22 -0.89 -1.91 0.00 0.00 174.94 172.03 2fjh s THR 77 N -0.36 1.92 0.08 4.00 2.01 -1.26 -1.12 115.64 120.91 2fjh s THR 77 Ca -0.04 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2fjh s THR 77 Cb -0.03 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2fjh s THR 77 CO 0.00 0.53 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.28 2fjh s MET 78 N 0.40 0.84 -0.08 4.92 1.00 0.66 -4.93 119.30 122.10 2fjh s MET 78 Ca -0.18 -0.99 -0.30 0.00 0.00 0.00 0.00 55.69 54.22 2fjh s MET 78 Cb -0.18 -0.81 -0.02 0.00 0.00 0.00 0.00 34.83 33.83 2fjh s MET 78 CO 0.08 0.17 1.04 -0.65 0.00 0.00 0.00 175.02 175.67 2fjh s GLN 79 N -1.89 4.42 0.00 2.03 -0.21 -1.26 -0.32 119.66 122.44 2fjh s GLN 79 Ca -0.01 1.45 0.05 0.00 0.02 0.00 0.00 55.36 56.88 2fjh s GLN 79 Cb -0.09 -3.53 -0.01 0.00 1.00 0.00 0.00 33.01 30.37 2fjh s GLN 79 CO 0.02 -0.31 -0.15 0.42 -2.12 0.00 0.00 175.29 173.15 2fjh s ILE 80 N 1.92 1.17 -0.27 1.08 -1.09 0.10 -4.93 121.20 119.19 2fjh s ILE 80 Ca 0.50 -0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 57.97 2fjh s ILE 80 Cb -0.20 -1.00 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2fjh s ILE 80 CO 0.20 0.24 0.62 -0.32 -1.23 0.00 0.00 174.94 174.45 2fjh s MET 81 N -0.59 4.02 -0.19 2.79 -2.45 -0.50 -0.93 119.30 121.46 2fjh s MET 81 Ca 0.05 0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 54.78 2fjh s MET 81 Cb -0.06 -3.68 -0.04 0.00 1.25 0.00 0.00 34.83 32.29 2fjh s MET 81 CO 0.00 -0.47 0.31 1.03 1.05 0.00 0.00 175.02 176.93 2fjh s ARG 82 N 2.53 4.19 -0.29 4.11 0.52 -0.24 -1.82 118.95 127.96 2fjh s ARG 82 Ca 0.25 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.56 2fjh s ARG 82 Cb -0.15 -3.49 0.07 0.00 0.52 0.00 0.00 34.95 31.90 2fjh s ARG 82 CO 0.10 0.09 -0.05 0.42 0.02 0.00 0.00 175.30 175.89 2fjh s ILE 83 N 0.91 2.17 0.02 1.52 1.01 0.95 -1.84 121.20 125.94 2fjh s ILE 83 Ca 0.16 -1.87 -0.19 0.00 0.00 0.00 0.00 60.65 58.74 2fjh s ILE 83 Cb -0.14 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 2fjh s ILE 83 CO 0.05 -0.25 0.54 -0.54 0.00 0.00 0.00 174.94 174.75 2fjh s LYS 84 N 1.05 4.20 0.28 2.79 1.02 -1.17 -1.63 119.74 126.27 2fjh s LYS 84 Ca -0.01 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 2fjh s LYS 84 Cb -0.20 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.73 2fjh s LYS 84 CO -0.06 0.53 1.42 -2.14 -0.92 0.00 0.00 175.35 174.17 2fjh s PRO 85 N -0.68 4.27 -1.08 -1.68 0.02 -1.26 -3.14 135.00 131.44 2fjh s PRO 85 Ca 0.28 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.40 2fjh s PRO 85 Cb -0.18 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.27 2fjh s PRO 85 CO 0.17 -0.39 0.70 0.72 -0.33 0.00 0.00 177.00 177.87 2fjh n HIS 86 N 1.87 -1.78 -0.52 6.54 8.25 -1.26 -4.82 115.22 123.50 2fjh n HIS 86 Ca 0.05 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2fjh n HIS 86 Cb 0.40 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.46 2fjh n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2fjh n GLN 87 N -4.09 0.00 -0.20 -0.41 7.27 -1.19 -5.17 117.38 113.60 2fjh n GLN 87 Ca -0.14 0.00 0.03 0.00 0.07 0.00 0.00 57.00 56.95 2fjh n GLN 87 Cb 0.60 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.24 2fjh n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2fjh n GLY 88 N 0.00 -1.40 3.20 1.69 0.00 -1.24 -4.77 105.19 102.68 2fjh n GLY 88 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 2fjh n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fjh s GLN 89 N -0.36 2.85 -0.09 1.61 1.11 -1.26 -3.06 119.66 120.46 2fjh s GLN 89 Ca 0.00 -0.83 0.04 0.00 0.01 0.00 0.00 55.36 54.58 2fjh s GLN 89 Cb 0.00 -2.18 -0.00 0.00 -1.01 0.00 0.00 33.01 29.82 2fjh s GLN 89 CO 0.00 0.18 -0.23 -1.58 0.01 0.00 0.00 175.29 173.67 2fjh s HIS 90 N 0.34 2.56 -0.32 0.91 2.46 -0.77 -4.97 115.29 115.50 2fjh s HIS 90 Ca -0.17 -0.91 -0.19 0.00 0.47 0.00 0.00 55.06 54.25 2fjh s HIS 90 Cb -0.17 -1.70 -0.01 0.00 -0.13 0.00 0.00 32.58 30.57 2fjh s HIS 90 CO 0.08 -0.34 0.58 0.42 -2.47 0.00 0.00 174.74 173.01 2fjh s ILE 91 N 0.20 4.96 0.43 0.89 1.01 -1.26 -1.08 121.20 126.36 2fjh s ILE 91 Ca -0.14 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.19 2fjh s ILE 91 Cb -0.17 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2fjh s ILE 91 CO 0.07 -0.17 0.04 -0.83 0.00 0.00 0.00 174.94 174.05 2fjh s GLY 92 N 1.70 2.65 -0.14 6.18 0.00 -0.10 -4.90 107.32 112.72 2fjh s GLY 92 Ca 0.23 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.47 2fjh s GLY 92 CO 0.13 -2.03 0.44 -0.54 0.00 0.00 0.00 173.10 171.09 2fjh s GLU 93 N -3.80 4.30 0.12 2.90 2.02 -1.26 0.01 118.70 122.99 2fjh s GLU 93 Ca 0.22 0.35 0.11 0.00 0.02 0.00 0.00 54.97 55.67 2fjh s GLU 93 Cb 0.05 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 2fjh s GLU 93 CO 0.11 0.13 -0.26 -1.64 0.02 0.00 0.00 175.26 173.62 2fjh s MET 94 N 0.73 1.37 0.16 1.61 -1.94 0.57 -4.93 119.30 116.86 2fjh s MET 94 Ca 0.23 -1.32 0.09 0.00 -1.71 0.00 0.00 55.69 52.98 2fjh s MET 94 Cb -0.15 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 2fjh s MET 94 CO 0.09 0.43 -0.12 -1.12 -0.01 0.00 0.00 175.02 174.29 2fjh s SER 95 N -2.02 4.15 -0.08 3.03 0.01 -1.26 -0.24 113.70 117.29 2fjh s SER 95 Ca 0.13 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 2fjh s SER 95 Cb -0.10 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.49 2fjh s SER 95 CO 0.06 0.13 0.21 -0.36 0.41 0.00 0.00 173.24 173.68 2fjh s PHE 96 N -1.51 -0.25 0.43 2.43 0.08 -0.28 -4.97 117.98 113.91 2fjh s PHE 96 Ca 0.23 0.61 -0.25 0.00 0.12 0.00 0.00 56.93 57.64 2fjh s PHE 96 Cb -0.09 0.04 -0.08 0.00 -0.57 0.00 0.00 43.02 42.31 2fjh s PHE 96 CO 0.14 -0.16 1.28 -0.51 -0.10 0.00 0.00 175.22 175.87 2fjh s LEU 97 N 0.68 4.14 0.17 -0.37 1.02 -1.26 -0.97 118.68 122.08 2fjh s LEU 97 Ca -0.05 2.60 0.07 0.00 0.02 0.00 0.00 54.13 56.78 2fjh s LEU 97 Cb -0.06 -4.00 -0.04 0.00 0.02 0.00 0.00 46.19 42.10 2fjh s LEU 97 CO -0.04 -0.94 -0.15 -1.10 0.02 0.00 0.00 176.35 174.14 2fjh s GLN 98 N -2.39 1.21 -0.24 1.70 -0.21 0.39 -4.86 119.66 115.26 2fjh s GLN 98 Ca 0.60 -1.43 -0.06 0.00 0.02 0.00 0.00 55.36 54.49 2fjh s GLN 98 Cb -0.37 -1.09 -0.02 0.00 1.00 0.00 0.00 33.01 32.54 2fjh s GLN 98 CO 0.46 0.20 0.01 -1.01 -2.12 0.00 0.00 175.29 172.83 2fjh s HIS 99 N -2.49 3.02 -0.14 0.91 3.76 0.12 -0.38 115.29 120.09 2fjh s HIS 99 Ca 0.16 -0.69 0.06 0.00 -0.15 0.00 0.00 55.06 54.44 2fjh s HIS 99 Cb -0.03 -2.17 -0.23 0.00 1.11 0.00 0.00 32.58 31.26 2fjh s HIS 99 CO 0.05 -0.46 0.26 0.09 -0.85 0.00 0.00 174.74 173.83 2fjh n ASN 100 N 4.86 1.31 -4.05 1.40 5.03 0.22 -4.56 115.26 119.48 2fjh n ASN 100 Ca -0.17 0.15 -0.20 0.00 0.87 0.00 0.00 54.58 55.23 2fjh n ASN 100 Cb 0.51 -0.16 -0.15 0.00 -1.02 0.00 0.00 39.78 38.96 2fjh n ASN 100 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2fjh s LYS 101 N -2.55 0.84 0.04 3.52 1.02 -1.12 -4.87 119.74 116.62 2fjh s LYS 101 Ca -0.18 -0.39 0.05 0.00 0.02 0.00 0.00 55.97 55.48 2fjh s LYS 101 Cb 0.07 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2fjh s LYS 101 CO 0.76 0.22 -0.15 0.00 -0.92 0.00 0.00 175.35 175.26 2fjh s GLU 103 N -1.07 0.63 -0.24 0.00 2.02 -0.44 -4.86 118.70 114.74 2fjh s GLU 103 Ca 0.03 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 53.79 2fjh s GLU 103 Cb -0.08 -0.26 0.01 0.00 0.10 0.00 0.00 34.13 33.90 2fjh s GLU 103 CO 0.01 0.03 1.00 0.00 0.02 0.00 0.00 175.26 176.32 2fjh s ARG 105 N 3.18 0.75 0.03 0.00 1.81 0.24 -4.87 118.95 120.10 2fjh s ARG 105 Ca 0.42 -0.80 -0.35 0.00 -1.72 0.00 0.00 55.73 53.29 2fjh s ARG 105 Cb -0.15 -0.70 -0.14 0.00 -0.45 0.00 0.00 34.95 33.52 2fjh s ARG 105 CO 0.07 0.16 1.66 -2.30 -0.68 0.00 0.00 175.30 174.21 2fjh n PRO 106 N 1.61 1.93 -1.78 3.54 -0.02 -1.26 -0.18 135.00 138.83 2fjh n PRO 106 Ca -0.20 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 2fjh n PRO 106 Cb 0.55 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2fjh n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2fjh s LYS 107 N 2.09 3.02 -0.05 -0.52 1.02 -0.59 -4.85 119.74 119.85 2fjh s LYS 107 Ca 0.86 2.19 -0.03 0.00 0.02 0.00 0.00 55.97 59.01 2fjh s LYS 107 Cb -0.76 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2fjh s LYS 107 CO 0.46 -1.27 0.12 0.21 -0.92 0.00 0.00 175.35 173.95 2fjh s LYS 108 N -3.01 0.08 0.00 1.68 2.20 -1.26 -5.01 119.74 114.42 2fjh s LYS 108 Ca 0.74 0.29 0.24 0.00 -0.36 0.00 0.00 55.97 56.88 2fjh s LYS 108 Cb -0.40 -0.13 0.20 0.00 -1.51 0.00 0.00 37.83 36.00 2fjh s LYS 108 CO 0.46 -0.13 1.27 -0.25 -0.36 0.00 0.00 175.35 176.33