#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj h VAL 4 N 0.00 1.18 -1.22 12.58 3.04 -1.98 -3.07 116.25 126.78 1jjj h VAL 4 Ca 0.00 -0.66 0.36 0.00 -1.01 0.00 0.00 66.70 65.39 1jjj h VAL 4 Cb 0.00 0.79 -0.09 0.00 -2.01 0.00 0.00 31.29 29.98 1jjj h VAL 4 CO 0.00 0.24 0.82 1.56 -1.01 0.00 0.00 177.57 179.18 1jjj h GLN 5 N 0.57 0.17 0.00 4.17 7.50 -1.93 -2.33 115.11 123.26 1jjj h GLN 5 Ca 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 1jjj h GLN 5 Cb 0.23 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.72 1jjj h GLN 5 CO -0.00 0.11 -0.04 1.96 -1.50 0.00 0.00 178.83 179.36 1jjj h GLN 6 N 0.17 0.00 0.00 1.46 4.20 -1.99 -3.27 115.11 115.68 1jjj h GLN 6 Ca 0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.38 1jjj h GLN 6 Cb 2.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.95 1jjj h GLN 6 CO -0.23 0.04 0.00 1.28 -0.67 0.00 0.00 178.83 179.25 1jjj n LEU 7 N -3.35 0.00 -4.76 1.46 4.77 -0.88 -4.98 117.00 109.26 1jjj n LEU 7 Ca -0.02 0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 1jjj n LEU 7 Cb 0.18 -0.29 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1jjj n LEU 7 CO 0.26 -0.07 0.69 -1.83 -1.33 0.00 0.00 177.39 175.10 1jjj s GLU 8 N -2.58 1.81 0.00 3.23 4.04 -1.24 -4.63 118.70 119.33 1jjj s GLU 8 Ca 0.21 0.80 0.00 0.00 0.04 0.00 0.00 54.97 56.02 1jjj s GLU 8 Cb 0.15 -1.87 0.00 0.00 0.02 0.00 0.00 34.13 32.43 1jjj s GLU 8 CO 0.34 -1.86 0.00 0.41 -1.84 0.00 0.00 175.26 172.32 1jjj n GLY 9 N -1.57 -3.14 3.69 -3.83 0.00 -0.11 -4.84 105.19 95.38 1jjj n GLY 9 Ca 0.07 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1jjj n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jjj s ARG 10 N -0.94 4.37 -0.20 1.61 3.52 -1.26 -1.83 118.95 124.23 1jjj s ARG 10 Ca 0.00 1.05 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 1jjj s ARG 10 Cb 0.00 -3.53 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1jjj s ARG 10 CO 0.00 -0.19 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.65 1jjj s TRP 11 N 1.65 2.15 -0.02 5.12 0.52 -0.22 -0.62 118.94 127.52 1jjj s TRP 11 Ca 0.40 -1.45 -0.20 0.00 0.02 0.00 0.00 56.10 54.88 1jjj s TRP 11 Cb -0.17 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1jjj s TRP 11 CO 0.16 -0.71 0.56 -0.98 0.02 0.00 0.00 176.95 176.00 1jjj s ARG 12 N 1.48 4.28 -0.04 4.98 1.70 0.08 -0.89 118.95 130.54 1jjj s ARG 12 Ca -0.02 0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 55.61 1jjj s ARG 12 Cb -0.16 -3.34 -0.05 0.00 -0.57 0.00 0.00 34.95 30.82 1jjj s ARG 12 CO -0.08 0.38 1.55 -1.17 -1.08 0.00 0.00 175.30 174.90 1jjj s LEU 13 N -0.19 4.31 -0.06 -1.89 2.96 -0.87 -1.70 118.68 121.25 1jjj s LEU 13 Ca 0.29 2.17 -0.06 0.00 -0.22 0.00 0.00 54.13 56.31 1jjj s LEU 13 Cb -0.18 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 13 CO 0.16 -0.85 -0.14 1.33 -1.32 0.00 0.00 176.35 175.53 1jjj n VAL 14 N 5.19 0.98 -4.35 1.68 0.24 -0.24 -4.90 118.33 116.93 1jjj n VAL 14 Ca 0.16 0.08 -0.35 0.00 -2.04 0.00 0.00 64.34 62.19 1jjj n VAL 14 Cb 0.43 -1.77 -0.09 0.00 -1.47 0.00 0.00 33.84 30.94 1jjj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jjj s ASP 15 N -5.97 5.27 -0.46 -1.34 2.15 -1.22 -4.99 116.67 110.12 1jjj s ASP 15 Ca -0.13 0.15 0.04 0.00 0.43 0.00 0.00 52.55 53.04 1jjj s ASP 15 Cb 0.04 -1.49 0.17 0.00 -0.30 0.00 0.00 42.92 41.34 1jjj s ASP 15 CO 0.18 0.38 0.37 -0.24 -0.17 0.00 0.00 175.17 175.69 1jjj n SER 16 N 2.10 0.14 -4.33 -0.34 2.88 -1.26 -0.86 113.62 111.96 1jjj n SER 16 Ca -0.18 -2.53 -0.46 0.00 -1.33 0.00 0.00 58.87 54.37 1jjj n SER 16 Cb 0.54 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.35 1jjj n SER 16 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1jjj s LYS 17 N -0.25 3.00 0.00 -1.46 2.20 -0.11 -3.76 119.74 119.37 1jjj s LYS 17 Ca 0.32 -1.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 1jjj s LYS 17 Cb 0.03 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 1jjj s LYS 17 CO -0.19 -1.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.89 1jjj n GLY 18 N 5.25 1.06 0.07 5.54 0.00 -1.26 -1.09 105.19 114.75 1jjj n GLY 18 Ca -0.13 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1jjj n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jjj h PHE 19 N 0.00 0.03 -0.84 1.61 3.57 -1.84 -2.51 116.94 116.95 1jjj h PHE 19 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1jjj h PHE 19 Cb 0.04 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1jjj h PHE 19 CO 0.00 0.73 0.55 -0.44 -2.23 0.00 0.00 178.31 176.92 1jjj h ASP 20 N -0.68 0.84 -0.55 0.41 3.32 -1.96 -1.22 116.42 116.59 1jjj h ASP 20 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1jjj h ASP 20 Cb 0.73 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1jjj h ASP 20 CO 0.00 0.55 0.30 -0.33 -1.72 0.00 0.00 179.24 178.05 1jjj h GLU 21 N 0.97 0.57 -0.19 3.56 4.39 -1.96 0.44 114.58 122.36 1jjj h GLU 21 Ca 0.35 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.05 1jjj h GLU 21 Cb 0.17 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1jjj h GLU 21 CO -0.12 0.38 0.01 -0.92 -1.16 0.00 0.00 179.01 177.20 1jjj h TYR 22 N 0.59 0.01 -0.51 4.33 3.20 -1.23 -2.16 116.97 121.19 1jjj h TYR 22 Ca 0.23 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1jjj h TYR 22 Cb 0.10 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1jjj h TYR 22 CO -0.08 -0.01 0.30 0.52 -1.64 0.00 0.00 178.16 177.24 1jjj h MET 23 N 0.08 0.70 0.18 1.82 2.86 -1.06 0.42 114.93 119.92 1jjj h MET 23 Ca 0.09 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1jjj h MET 23 Cb 0.10 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1jjj h MET 23 CO -0.14 0.50 -0.30 0.87 1.06 0.00 0.00 176.91 178.90 1jjj h LYS 24 N 0.71 -0.53 -0.46 1.72 1.57 -0.89 -1.57 116.57 117.11 1jjj h LYS 24 Ca 0.19 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1jjj h LYS 24 Cb -0.01 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1jjj h LYS 24 CO -0.03 -0.36 0.01 1.49 -0.57 0.00 0.00 179.45 179.99 1jjj h GLU 25 N -0.55 0.75 -0.73 3.15 4.57 -1.11 -2.62 114.58 118.04 1jjj h GLU 25 Ca 0.01 -0.19 0.11 0.00 -1.18 0.00 0.00 59.36 58.11 1jjj h GLU 25 Cb 0.55 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.97 1jjj h GLU 25 CO -0.13 0.76 0.34 -0.07 -1.18 0.00 0.00 179.01 178.73 1jjj h LEU 26 N 0.71 0.41 -0.56 1.64 3.38 -1.01 -3.49 115.31 116.39 1jjj h LEU 26 Ca 0.14 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jjj h LEU 26 Cb 0.42 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1jjj h LEU 26 CO 0.02 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1jjj n GLY 27 N -1.31 0.77 3.84 0.83 0.00 -0.80 -5.07 105.19 103.45 1jjj n GLY 27 Ca 0.12 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -1.94 5.36 0.69 1.61 1.01 -0.66 -5.05 120.40 121.42 1jjj s VAL 28 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1jjj s VAL 28 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1jjj s VAL 28 CO 0.00 0.56 1.19 -0.83 0.00 0.00 0.00 175.10 176.03 1jjj s GLY 29 N -0.71 2.41 0.13 4.51 0.00 -1.26 -4.70 107.32 107.71 1jjj s GLY 29 Ca 0.16 0.86 -0.19 0.00 0.00 0.00 0.00 44.72 45.55 1jjj s GLY 29 CO 0.05 1.25 1.74 0.16 0.00 0.00 0.00 173.10 176.30 1jjj h ILE 30 N 0.03 0.90 -0.79 0.90 3.07 -1.99 0.20 117.51 119.83 1jjj h ILE 30 Ca -0.48 -0.05 -0.02 0.00 1.55 0.00 0.00 64.86 65.86 1jjj h ILE 30 Cb 1.29 0.74 -0.04 0.00 -0.27 0.00 0.00 36.82 38.54 1jjj h ILE 30 CO 0.52 0.03 0.43 0.00 -1.05 0.00 0.00 178.15 178.07 1jjj h ALA 31 N 1.17 1.27 -0.46 0.16 0.00 -1.99 -1.88 119.26 117.54 1jjj h ALA 31 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1jjj h ALA 31 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jjj h ALA 31 CO -0.14 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.53 1jjj h LEU 32 N 1.10 0.82 -0.22 0.00 3.38 -1.81 -0.40 115.31 118.18 1jjj h LEU 32 Ca 0.28 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jjj h LEU 32 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1jjj h LEU 32 CO -0.04 0.94 0.05 0.03 0.09 0.00 0.00 178.44 179.51 1jjj h ARG 33 N 0.75 0.14 -0.22 1.13 3.08 -0.57 -0.75 114.38 117.94 1jjj h ARG 33 Ca 0.13 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1jjj h ARG 33 Cb 0.60 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1jjj h ARG 33 CO 0.04 0.09 0.04 -0.22 -1.07 0.00 0.00 179.97 178.85 1jjj h LYS 34 N 0.14 0.12 -0.39 0.04 3.64 -1.29 -0.58 116.57 118.26 1jjj h LYS 34 Ca 0.10 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1jjj h LYS 34 Cb 0.09 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1jjj h LYS 34 CO -0.13 0.08 -0.18 1.98 -2.27 0.00 0.00 179.45 178.94 1jjj h MET 35 N 0.12 -0.10 -0.44 1.90 4.05 -1.07 -2.02 114.93 117.37 1jjj h MET 35 Ca 0.10 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1jjj h MET 35 Cb 0.10 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1jjj h MET 35 CO -0.13 -0.07 0.24 0.78 0.23 0.00 0.00 176.91 177.96 1jjj h GLY 36 N -0.11 0.61 0.96 1.39 0.00 -1.06 -2.93 103.07 101.94 1jjj h GLY 36 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1jjj h GLY 36 CO -0.45 0.13 0.20 0.00 0.00 0.00 0.00 176.54 176.42 1jjj h ALA 37 N 1.22 0.55 0.00 3.60 0.00 -1.00 -3.22 119.26 120.40 1jjj h ALA 37 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jjj h ALA 37 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jjj h ALA 37 CO -0.11 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1jjj n MET 38 N -4.67 0.47 -2.54 0.00 3.85 -0.77 -4.92 117.12 108.55 1jjj n MET 38 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.70 56.30 1jjj n MET 38 Cb 0.12 -1.50 -0.04 0.00 -1.05 0.00 0.00 33.22 30.75 1jjj n MET 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jjj s ALA 39 N -2.52 3.36 -0.76 3.17 0.00 -1.11 -5.05 121.76 118.85 1jjj s ALA 39 Ca 0.30 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 1jjj s ALA 39 Cb 0.20 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 20.18 1jjj s ALA 39 CO 0.45 -0.18 0.70 -1.59 0.00 0.00 0.00 175.76 175.14 1jjj s LYS 40 N -0.35 3.45 0.22 0.00 -2.85 -1.26 -5.04 119.74 113.90 1jjj s LYS 40 Ca 0.49 -2.30 -0.30 0.00 -1.00 0.00 0.00 55.97 52.87 1jjj s LYS 40 Cb -0.29 -4.39 -0.09 0.00 -2.06 0.00 0.00 37.83 31.01 1jjj s LYS 40 CO 0.34 -1.30 1.19 -1.25 0.10 0.00 0.00 175.35 174.44 1jjj s PRO 41 N 0.48 4.51 -0.51 1.78 0.04 -1.26 -4.64 135.00 135.39 1jjj s PRO 41 Ca 0.15 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1jjj s PRO 41 Cb -0.15 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 31.29 1jjj s PRO 41 CO -0.06 -0.04 0.45 -0.51 0.04 0.00 0.00 177.00 176.88 1jjj s ASP 42 N -0.13 6.14 -0.36 6.66 1.11 0.14 -2.05 116.67 128.17 1jjj s ASP 42 Ca 0.51 -1.63 -0.29 0.00 0.18 0.00 0.00 52.55 51.32 1jjj s ASP 42 Cb -0.33 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1jjj s ASP 42 CO 0.39 -0.77 1.40 0.00 1.18 0.00 0.00 175.17 177.37 1jjj s ILE 44 N 5.11 4.50 -0.16 0.00 1.01 -0.01 -1.06 121.20 130.60 1jjj s ILE 44 Ca 0.61 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1jjj s ILE 44 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1jjj s ILE 44 CO 0.29 -0.51 0.33 -0.63 0.00 0.00 0.00 174.94 174.42 1jjj s ILE 45 N 1.49 5.28 -0.25 2.92 1.01 -0.76 -1.07 121.20 129.82 1jjj s ILE 45 Ca 0.03 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.31 1jjj s ILE 45 Cb -0.23 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1jjj s ILE 45 CO 0.03 0.36 -0.11 0.42 0.00 0.00 0.00 174.94 175.65 1jjj s THR 46 N 0.59 2.30 -0.39 2.92 -4.23 -0.42 -0.94 115.64 115.47 1jjj s THR 46 Ca 0.18 -1.45 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1jjj s THR 46 Cb -0.13 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.44 1jjj s THR 46 CO 0.05 0.07 0.34 0.00 -0.54 0.00 0.00 174.62 174.54 1jjj s ASP 48 N 1.73 3.78 0.25 0.00 2.15 -1.26 -4.91 116.67 118.42 1jjj s ASP 48 Ca 0.08 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 53.11 1jjj s ASP 48 Cb -0.18 -0.33 0.37 0.00 -0.30 0.00 0.00 42.92 42.48 1jjj s ASP 48 CO 0.11 -2.27 1.86 1.23 -0.17 0.00 0.00 175.17 175.93 1jjj h GLY 49 N -1.12 1.40 0.00 2.66 0.00 -2.02 -3.43 103.07 100.57 1jjj h GLY 49 Ca -0.42 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1jjj h GLY 49 CO 0.42 0.29 -0.85 0.28 0.00 0.00 0.00 176.54 176.69 1jjj n LYS 50 N -4.57 0.00 -2.83 4.80 5.02 -1.26 -4.80 118.16 114.52 1jjj n LYS 50 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1jjj n LYS 50 Cb 0.18 -0.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.65 1jjj n LYS 50 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jjj s ASN 51 N -4.74 6.89 -0.38 4.39 0.01 -1.26 -0.30 114.94 119.55 1jjj s ASN 51 Ca 0.00 -2.57 -0.16 0.00 -0.71 0.00 0.00 52.86 49.41 1jjj s ASN 51 Cb 0.00 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 39.21 1jjj s ASN 51 CO 0.00 -0.96 0.41 -0.22 -1.51 0.00 0.00 177.10 174.82 1jjj s LEU 52 N 2.67 4.64 -0.28 0.60 0.20 -0.12 -4.11 118.68 122.27 1jjj s LEU 52 Ca 0.44 -0.43 -0.13 0.00 0.69 0.00 0.00 54.13 54.70 1jjj s LEU 52 Cb -0.01 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 1jjj s LEU 52 CO -0.01 -0.47 0.27 -0.89 -0.29 0.00 0.00 176.35 174.96 1jjj s THR 53 N 2.11 5.25 -0.36 3.68 2.01 -0.67 -0.95 115.64 126.71 1jjj s THR 53 Ca 0.13 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 1jjj s THR 53 Cb -0.17 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.81 1jjj s THR 53 CO 0.13 0.19 0.13 -0.63 -0.69 0.00 0.00 174.62 173.75 1jjj s ILE 54 N 1.88 3.43 -0.50 1.82 1.01 -0.24 -1.31 121.20 127.29 1jjj s ILE 54 Ca 0.10 -1.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.02 1jjj s ILE 54 Cb -0.16 -3.11 0.09 0.00 0.01 0.00 0.00 42.46 39.29 1jjj s ILE 54 CO 0.11 -0.38 0.43 -0.75 0.00 0.00 0.00 174.94 174.35 1jjj s LYS 55 N 1.27 2.98 -0.63 2.79 2.20 -0.23 -1.71 119.74 126.41 1jjj s LYS 55 Ca 0.01 -1.48 -0.21 0.00 -0.36 0.00 0.00 55.97 53.93 1jjj s LYS 55 Cb -0.21 -4.19 0.08 0.00 -1.51 0.00 0.00 37.83 31.99 1jjj s LYS 55 CO -0.01 -1.14 0.86 0.99 -0.36 0.00 0.00 175.35 175.69 1jjj s THR 56 N 1.63 4.52 -0.28 3.43 2.01 -0.75 -0.83 115.64 125.36 1jjj s THR 56 Ca 0.04 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 1jjj s THR 56 Cb -0.26 -4.60 -0.02 0.00 0.01 0.00 0.00 72.50 67.63 1jjj s THR 56 CO 0.05 -1.31 0.58 -1.61 -0.69 0.00 0.00 174.62 171.64 1jjj s GLU 57 N 3.54 3.99 0.01 4.92 0.41 -0.09 -1.69 118.70 129.78 1jjj s GLU 57 Ca 0.18 0.33 0.01 0.00 -0.41 0.00 0.00 54.97 55.08 1jjj s GLU 57 Cb -0.19 -3.69 -0.01 0.00 -1.78 0.00 0.00 34.13 28.46 1jjj s GLU 57 CO 0.09 -0.46 -0.04 0.45 -0.49 0.00 0.00 175.26 174.82 1jjj s SER 58 N 1.57 0.38 0.00 -0.19 0.15 -1.25 -0.68 113.70 113.68 1jjj s SER 58 Ca 0.23 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1jjj s SER 58 Cb -0.15 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1jjj s SER 58 CO 0.10 -0.10 1.90 0.35 1.20 0.00 0.00 173.24 176.69 1jjj n THR 59 N 2.37 1.76 0.10 6.45 -2.24 -1.26 -3.49 114.28 117.97 1jjj n THR 59 Ca -0.17 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1jjj n THR 59 Cb 0.57 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1jjj n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jjj n LEU 60 N 1.84 -1.38 -3.63 3.22 4.77 -1.26 -5.09 117.00 115.47 1jjj n LEU 60 Ca 0.08 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1jjj n LEU 60 Cb 0.47 1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 42.89 1jjj n LEU 60 CO 0.03 -0.29 -0.24 -0.75 -1.33 0.00 0.00 177.39 174.81 1jjj s LYS 61 N -2.00 0.07 -0.24 3.23 2.47 -1.23 -5.13 119.74 116.91 1jjj s LYS 61 Ca 0.00 0.43 -0.25 0.00 -1.56 0.00 0.00 55.97 54.59 1jjj s LYS 61 Cb 0.00 -0.62 -0.00 0.00 -1.46 0.00 0.00 37.83 35.75 1jjj s LYS 61 CO 0.00 -0.41 0.84 0.99 0.16 0.00 0.00 175.35 176.92 1jjj s THR 62 N 2.29 4.83 -0.39 3.43 2.01 -1.25 -3.96 115.64 122.60 1jjj s THR 62 Ca 0.04 1.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 1jjj s THR 62 Cb -0.13 -4.12 0.09 0.00 0.01 0.00 0.00 72.50 68.35 1jjj s THR 62 CO -0.07 -0.08 0.18 0.42 -0.69 0.00 0.00 174.62 174.38 1jjj s THR 63 N 2.84 3.44 -0.19 -0.82 -4.23 -0.68 -4.98 115.64 111.01 1jjj s THR 63 Ca 0.35 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1jjj s THR 63 Cb -0.15 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1jjj s THR 63 CO 0.07 -0.54 0.09 -1.58 -0.54 0.00 0.00 174.62 172.12 1jjj s GLN 64 N 1.23 4.01 -0.06 3.99 0.74 -1.26 -1.81 119.66 126.50 1jjj s GLN 64 Ca 0.04 -0.32 -0.07 0.00 0.05 0.00 0.00 55.36 55.07 1jjj s GLN 64 Cb -0.22 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.61 1jjj s GLN 64 CO -0.02 0.23 0.19 -0.59 -0.55 0.00 0.00 175.29 174.55 1jjj s PHE 65 N 0.50 -0.17 -0.49 1.67 -0.71 -0.69 -5.01 117.98 113.07 1jjj s PHE 65 Ca 0.05 0.42 -0.17 0.00 -1.04 0.00 0.00 56.93 56.18 1jjj s PHE 65 Cb -0.12 0.06 0.07 0.00 -1.21 0.00 0.00 43.02 41.81 1jjj s PHE 65 CO 0.00 -0.13 0.50 -1.54 -1.34 0.00 0.00 175.22 172.71 1jjj s SER 66 N -0.14 6.18 -0.23 1.98 1.04 -1.26 -1.08 113.70 120.19 1jjj s SER 66 Ca -0.02 -1.15 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1jjj s SER 66 Cb -0.02 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 1jjj s SER 66 CO 0.01 -0.76 0.47 0.00 0.98 0.00 0.00 173.24 173.94 1jjj s THR 68 N 1.84 4.70 -0.24 0.00 2.01 -1.26 -0.95 115.64 121.75 1jjj s THR 68 Ca 0.21 1.12 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 1jjj s THR 68 Cb -0.15 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.12 1jjj s THR 68 CO 0.09 -0.41 1.19 -0.22 -0.69 0.00 0.00 174.62 174.58 1jjj s LEU 69 N 3.19 4.05 -0.50 4.42 2.96 0.59 -2.11 118.68 131.29 1jjj s LEU 69 Ca 0.34 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1jjj s LEU 69 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1jjj s LEU 69 CO 0.16 -0.83 0.43 0.61 -1.32 0.00 0.00 176.35 175.39 1jjj n GLY 70 N 3.75 0.04 3.59 7.98 0.00 0.87 -4.83 105.19 116.58 1jjj n GLY 70 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1jjj n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jjj s GLU 71 N -4.10 0.38 -0.20 1.61 0.41 -0.90 -5.04 118.70 110.86 1jjj s GLU 71 Ca 0.11 -0.03 -0.05 0.00 -0.41 0.00 0.00 54.97 54.59 1jjj s GLU 71 Cb -0.01 0.18 -0.02 0.00 -1.78 0.00 0.00 34.13 32.49 1jjj s GLU 71 CO 0.33 -0.14 -0.01 0.21 -0.49 0.00 0.00 175.26 175.15 1jjj s LYS 72 N -1.77 3.54 0.25 1.61 2.20 -1.26 -2.59 119.74 121.73 1jjj s LYS 72 Ca 0.06 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 1jjj s LYS 72 Cb -0.01 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1jjj s LYS 72 CO -0.04 -0.04 -0.05 -0.59 -0.36 0.00 0.00 175.35 174.27 1jjj s PHE 73 N 1.11 1.79 -0.52 4.03 -0.71 -0.98 -4.84 117.98 117.87 1jjj s PHE 73 Ca 0.02 -0.76 -0.28 0.00 -1.04 0.00 0.00 56.93 54.87 1jjj s PHE 73 Cb -0.14 -1.01 0.02 0.00 -1.21 0.00 0.00 43.02 40.68 1jjj s PHE 73 CO 0.01 0.18 1.26 -1.21 -1.34 0.00 0.00 175.22 174.12 1jjj s GLU 74 N -3.76 3.54 0.41 1.99 2.02 -1.26 -0.50 118.70 121.13 1jjj s GLU 74 Ca 0.28 0.50 -0.23 0.00 0.02 0.00 0.00 54.97 55.54 1jjj s GLU 74 Cb 0.04 -4.01 -0.10 0.00 0.10 0.00 0.00 34.13 30.16 1jjj s GLU 74 CO 0.10 -1.63 0.99 -2.00 0.02 0.00 0.00 175.26 172.74 1jjj s GLU 75 N 4.92 4.23 -0.27 1.61 -6.30 -0.84 -4.91 118.70 117.15 1jjj s GLU 75 Ca 0.49 1.31 -0.03 0.00 -2.50 0.00 0.00 54.97 54.24 1jjj s GLU 75 Cb -0.09 -2.40 0.02 0.00 0.00 0.00 0.00 34.13 31.66 1jjj s GLU 75 CO 0.29 -0.05 -0.02 0.99 0.02 0.00 0.00 175.26 176.49 1jjj s THR 76 N -1.88 3.20 0.28 -1.70 2.01 -1.26 -0.84 115.64 115.44 1jjj s THR 76 Ca 0.59 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1jjj s THR 76 Cb -0.16 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.61 1jjj s THR 76 CO 0.20 0.14 1.22 0.42 -0.69 0.00 0.00 174.62 175.92 1jjj s THR 77 N 1.37 3.14 0.55 -0.82 -4.23 -0.51 -4.96 115.64 110.17 1jjj s THR 77 Ca 0.00 1.09 0.32 0.00 -1.18 0.00 0.00 61.69 61.93 1jjj s THR 77 Cb -0.17 -3.70 0.48 0.00 1.34 0.00 0.00 72.50 70.45 1jjj s THR 77 CO -0.02 0.24 1.87 0.00 -0.54 0.00 0.00 174.62 176.17 1jjj h ALA 78 N 4.01 2.81 0.00 3.99 0.00 -2.00 -1.70 119.26 126.38 1jjj h ALA 78 Ca -0.47 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 1jjj h ALA 78 Cb 1.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1jjj h ALA 78 CO 0.69 -1.12 -1.27 0.22 0.00 0.00 0.00 179.25 177.77 1jjj h ASP 79 N 0.00 0.00 0.00 0.00 1.82 -1.97 -3.50 116.42 112.77 1jjj h ASP 79 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1jjj h ASP 79 Cb 1.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.75 1jjj h ASP 79 CO -0.00 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 179.21 1jjj n GLY 80 N 1.43 1.49 3.70 -0.78 0.00 -0.64 -5.01 105.19 105.38 1jjj n GLY 80 Ca -0.07 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1jjj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj s ARG 81 N 0.00 4.28 -0.15 1.61 0.52 -1.26 -4.75 118.95 119.20 1jjj s ARG 81 Ca 0.00 2.12 -0.16 0.00 -0.52 0.00 0.00 55.73 57.17 1jjj s ARG 81 Cb 0.00 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1jjj s ARG 81 CO 0.00 -0.54 0.40 0.15 0.02 0.00 0.00 175.30 175.33 1jjj s LYS 82 N 1.70 4.28 -0.13 3.54 1.02 -1.26 -1.43 119.74 127.46 1jjj s LYS 82 Ca 0.67 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.97 1jjj s LYS 82 Cb -0.37 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1jjj s LYS 82 CO 0.30 0.13 -0.22 0.95 -0.92 0.00 0.00 175.35 175.59 1jjj s THR 83 N 0.76 2.01 -0.49 2.17 -4.23 -0.02 -4.86 115.64 110.97 1jjj s THR 83 Ca 0.21 -0.96 -0.27 0.00 -1.18 0.00 0.00 61.69 59.49 1jjj s THR 83 Cb -0.14 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 1jjj s THR 83 CO 0.08 0.54 1.92 -1.10 -0.54 0.00 0.00 174.62 175.52 1jjj s GLN 84 N 0.74 2.81 -0.38 3.99 -1.52 -0.21 -1.98 119.66 123.11 1jjj s GLN 84 Ca -0.09 1.02 -0.02 0.00 -1.95 0.00 0.00 55.36 54.32 1jjj s GLN 84 Cb -0.16 -4.35 0.10 0.00 -0.22 0.00 0.00 33.01 28.38 1jjj s GLN 84 CO 0.00 -2.49 0.15 0.99 -0.25 0.00 0.00 175.29 173.69 1jjj s THR 85 N 8.72 3.07 -0.54 -0.19 2.01 0.35 -0.81 115.64 128.25 1jjj s THR 85 Ca 0.76 -2.01 -0.24 0.00 0.31 0.00 0.00 61.69 60.51 1jjj s THR 85 Cb -0.17 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.30 1jjj s THR 85 CO 0.26 -0.60 0.91 0.54 -0.69 0.00 0.00 174.62 175.04 1jjj s VAL 86 N 1.11 4.45 -0.25 3.82 0.11 -0.55 -2.31 120.40 126.78 1jjj s VAL 86 Ca 0.07 0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 1jjj s VAL 86 Cb -0.22 -4.50 -0.03 0.00 -1.53 0.00 0.00 36.38 30.10 1jjj s VAL 86 CO -0.04 -1.05 0.52 0.00 -3.33 0.00 0.00 175.10 171.19 1jjj s ASN 88 N 1.47 0.40 -0.21 0.00 2.20 -0.54 -0.09 114.94 118.17 1jjj s ASN 88 Ca 0.22 0.05 -0.18 0.00 -0.94 0.00 0.00 52.86 52.01 1jjj s ASN 88 Cb -0.16 -0.09 -0.03 0.00 -2.00 0.00 0.00 41.25 38.97 1jjj s ASN 88 CO 0.09 -0.17 0.50 0.12 -2.94 0.00 0.00 177.10 174.70 1jjj s PHE 89 N 1.42 3.35 -0.00 1.54 5.36 -1.26 -0.68 117.98 127.71 1jjj s PHE 89 Ca -0.05 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 1jjj s PHE 89 Cb -0.13 -2.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1jjj s PHE 89 CO -0.03 -0.12 -0.00 -0.08 -1.46 0.00 0.00 175.22 173.52 1jjj s THR 90 N 1.72 0.04 -1.36 0.12 -1.32 -0.55 -4.98 115.64 109.32 1jjj s THR 90 Ca 0.23 0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.66 1jjj s THR 90 Cb -0.15 -0.06 0.01 0.00 -1.51 0.00 0.00 72.50 70.78 1jjj s THR 90 CO 0.09 0.03 0.75 0.47 -2.21 0.00 0.00 174.62 173.75 1jjj n ASP 91 N 3.24 -5.86 -0.09 8.08 9.92 -1.26 -1.18 116.55 129.39 1jjj n ASP 91 Ca -0.15 -0.35 -0.01 0.00 -0.53 0.00 0.00 54.79 53.76 1jjj n ASP 91 Cb 0.58 -4.61 -0.01 0.00 -0.64 0.00 0.00 41.12 36.45 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 92 N -1.62 0.48 2.81 0.44 0.00 -1.26 -5.05 105.19 100.99 1jjj n GLY 92 Ca -0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1jjj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj s ALA 93 N -1.89 0.53 -0.53 4.61 0.00 -0.33 -3.43 121.76 120.73 1jjj s ALA 93 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 1jjj s ALA 93 Cb 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.64 1jjj s ALA 93 CO 0.00 -0.23 0.92 -1.17 0.00 0.00 0.00 175.76 175.28 1jjj s LEU 94 N 1.43 4.11 -0.46 0.00 2.96 -0.24 -1.48 118.68 125.00 1jjj s LEU 94 Ca -0.04 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 1jjj s LEU 94 Cb -0.13 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.69 1jjj s LEU 94 CO -0.03 -1.16 0.62 -0.69 -1.32 0.00 0.00 176.35 173.77 1jjj s VAL 95 N 3.84 4.86 -0.75 1.68 1.01 0.15 -0.97 120.40 130.21 1jjj s VAL 95 Ca 0.31 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1jjj s VAL 95 Cb -0.12 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.17 1jjj s VAL 95 CO 0.21 -0.65 0.88 -1.58 0.00 0.00 0.00 175.10 173.96 1jjj s GLN 96 N 2.72 3.33 -0.58 2.72 0.74 -0.16 -1.47 119.66 126.96 1jjj s GLN 96 Ca 0.19 -1.62 -0.21 0.00 0.05 0.00 0.00 55.36 53.78 1jjj s GLN 96 Cb -0.16 -4.50 0.07 0.00 1.10 0.00 0.00 33.01 29.52 1jjj s GLN 96 CO 0.16 -1.60 0.80 -1.58 -0.55 0.00 0.00 175.29 172.53 1jjj s HIS 97 N 2.38 2.87 -0.19 1.67 5.65 -0.83 -1.13 115.29 125.72 1jjj s HIS 97 Ca 0.21 -0.56 -0.16 0.00 0.25 0.00 0.00 55.06 54.80 1jjj s HIS 97 Cb -0.15 -3.98 -0.04 0.00 -1.18 0.00 0.00 32.58 27.23 1jjj s HIS 97 CO -0.01 -1.34 0.38 -0.65 -0.65 0.00 0.00 174.74 172.47 1jjj s GLN 98 N 3.32 4.19 -0.13 2.88 -0.21 0.92 -1.48 119.66 129.15 1jjj s GLN 98 Ca 0.19 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.77 1jjj s GLN 98 Cb -0.19 -3.52 0.02 0.00 1.00 0.00 0.00 33.01 30.32 1jjj s GLN 98 CO 0.11 0.01 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.94 1jjj s GLU 99 N 1.17 2.20 -0.27 2.91 2.02 0.01 -1.70 118.70 125.04 1jjj s GLU 99 Ca 0.19 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 1jjj s GLU 99 Cb -0.15 -1.95 0.12 0.00 0.10 0.00 0.00 34.13 32.25 1jjj s GLU 99 CO 0.08 -0.15 0.57 1.67 0.02 0.00 0.00 175.26 177.44 1jjj s TRP 100 N 1.24 -1.19 -1.42 1.61 -2.14 -0.72 -1.04 118.94 115.28 1jjj s TRP 100 Ca -0.01 1.99 -0.04 0.00 2.66 0.00 0.00 56.10 60.71 1jjj s TRP 100 Cb -0.14 0.61 0.00 0.00 -3.10 0.00 0.00 33.47 30.85 1jjj s TRP 100 CO -0.06 -0.63 0.32 -0.25 -2.66 0.00 0.00 176.95 173.67 1jjj n ASP 101 N 5.43 -0.47 0.00 -2.66 8.00 -1.26 -1.64 116.55 123.95 1jjj n ASP 101 Ca -0.10 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1jjj n ASP 101 Cb 0.49 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.09 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 102 N -2.17 1.95 3.77 0.44 0.00 -1.26 -5.04 105.19 102.89 1jjj n GLY 102 Ca -0.29 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1jjj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 103 N 0.00 4.67 -0.00 1.61 1.02 -0.65 -5.10 119.74 121.28 1jjj s LYS 103 Ca 0.00 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.42 1jjj s LYS 103 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1jjj s LYS 103 CO 0.00 0.34 -0.02 -1.83 -0.92 0.00 0.00 175.35 172.92 1jjj s GLU 104 N -1.73 0.20 -0.10 1.68 -1.05 -1.26 -1.75 118.70 114.69 1jjj s GLU 104 Ca 0.47 -0.07 0.04 0.00 -0.15 0.00 0.00 54.97 55.26 1jjj s GLU 104 Cb -0.22 -0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.26 1jjj s GLU 104 CO 0.28 0.04 -0.23 0.45 0.95 0.00 0.00 175.26 176.74 1jjj s SER 105 N 0.04 2.99 -0.22 0.83 0.15 -0.69 -3.34 113.70 113.46 1jjj s SER 105 Ca -0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1jjj s SER 105 Cb -0.02 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1jjj s SER 105 CO -0.00 0.15 -0.13 -0.89 1.20 0.00 0.00 173.24 173.57 1jjj s THR 106 N 0.36 2.46 -0.35 6.45 2.01 0.00 -0.06 115.64 126.51 1jjj s THR 106 Ca -0.18 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.77 1jjj s THR 106 Cb -0.18 -2.17 0.08 0.00 0.01 0.00 0.00 72.50 70.24 1jjj s THR 106 CO 0.09 0.34 0.10 -0.63 -0.69 0.00 0.00 174.62 173.82 1jjj s ILE 107 N 1.29 3.10 -0.49 1.82 1.01 -0.28 -1.38 121.20 126.28 1jjj s ILE 107 Ca 0.02 -1.74 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 1jjj s ILE 107 Cb -0.15 -2.97 0.09 0.00 0.01 0.00 0.00 42.46 39.44 1jjj s ILE 107 CO -0.08 -0.40 0.42 -0.89 0.00 0.00 0.00 174.94 173.98 1jjj s THR 108 N 1.18 5.12 -0.52 2.92 2.01 -0.24 -0.99 115.64 125.13 1jjj s THR 108 Ca 0.02 -1.26 -0.18 0.00 0.31 0.00 0.00 61.69 60.58 1jjj s THR 108 Cb -0.21 -4.15 0.07 0.00 0.01 0.00 0.00 72.50 68.22 1jjj s THR 108 CO -0.03 -0.68 0.59 -0.13 -0.69 0.00 0.00 174.62 173.68 1jjj s ARG 109 N 1.60 3.07 0.08 4.92 0.52 -0.15 -1.48 118.95 127.53 1jjj s ARG 109 Ca 0.04 -1.10 0.10 0.00 -0.52 0.00 0.00 55.73 54.25 1jjj s ARG 109 Cb -0.26 -4.14 -0.03 0.00 0.52 0.00 0.00 34.95 31.03 1jjj s ARG 109 CO 0.05 -1.24 -0.25 -1.59 0.02 0.00 0.00 175.30 172.28 1jjj s LYS 110 N 2.39 1.53 -0.46 3.54 -2.85 -0.59 -1.08 119.74 122.22 1jjj s LYS 110 Ca 0.12 -1.19 -0.20 0.00 -1.00 0.00 0.00 55.97 53.70 1jjj s LYS 110 Cb -0.22 -1.83 0.03 0.00 -2.06 0.00 0.00 37.83 33.76 1jjj s LYS 110 CO 0.09 0.45 0.64 -1.17 0.10 0.00 0.00 175.35 175.47 1jjj s LEU 111 N -1.61 4.60 -0.03 2.77 1.98 -1.22 -1.03 118.68 124.14 1jjj s LEU 111 Ca 0.11 -0.49 0.00 0.00 -2.89 0.00 0.00 54.13 50.87 1jjj s LEU 111 Cb -0.10 -2.65 0.03 0.00 0.66 0.00 0.00 46.19 44.13 1jjj s LEU 111 CO 0.04 -0.82 -0.01 -0.54 -1.89 0.00 0.00 176.35 173.13 1jjj s LYS 112 N 2.81 0.42 -1.35 1.98 1.02 -0.38 -4.89 119.74 119.34 1jjj s LYS 112 Ca 0.21 0.04 -0.06 0.00 0.02 0.00 0.00 55.97 56.18 1jjj s LYS 112 Cb -0.15 -0.57 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 1jjj s LYS 112 CO 0.17 -0.13 1.01 -3.47 -0.92 0.00 0.00 175.35 172.01 1jjj n ASP 113 N 4.17 -4.04 -2.55 2.83 2.03 -1.26 -1.99 116.55 115.74 1jjj n ASP 113 Ca -0.25 -0.66 -0.14 0.00 0.52 0.00 0.00 54.79 54.26 1jjj n ASP 113 Cb 0.50 -4.64 -0.00 0.00 -0.72 0.00 0.00 41.12 36.26 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 114 N -1.65 -0.50 2.99 0.27 0.00 -1.26 -4.99 105.19 100.05 1jjj n GLY 114 Ca -0.11 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -5.14 0.32 -0.51 1.61 1.02 -0.84 -4.38 119.74 111.82 1jjj s LYS 115 Ca 0.05 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 1jjj s LYS 115 Cb -0.02 0.12 0.05 0.00 -0.52 0.00 0.00 37.83 37.45 1jjj s LYS 115 CO 0.06 -0.06 0.68 -1.17 -0.92 0.00 0.00 175.35 173.95 1jjj s LEU 116 N -1.38 4.75 -0.50 3.17 2.96 0.10 -1.25 118.68 126.53 1jjj s LEU 116 Ca -0.15 -0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 52.82 1jjj s LEU 116 Cb -0.09 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.10 1jjj s LEU 116 CO -0.01 -0.94 0.65 -0.69 -1.32 0.00 0.00 176.35 174.05 1jjj s VAL 117 N 2.89 4.83 -0.77 1.68 1.01 -0.19 -1.22 120.40 128.62 1jjj s VAL 117 Ca 0.19 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1jjj s VAL 117 Cb -0.17 -4.31 0.20 0.00 0.00 0.00 0.00 36.38 32.11 1jjj s VAL 117 CO 0.14 -0.80 0.69 -0.69 0.00 0.00 0.00 175.10 174.44 1jjj s VAL 118 N 2.76 5.20 -0.84 2.92 1.01 0.01 -1.54 120.40 129.92 1jjj s VAL 118 Ca 0.17 -2.54 -0.20 0.00 0.00 0.00 0.00 61.98 59.41 1jjj s VAL 118 Cb -0.18 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.06 1jjj s VAL 118 CO 0.13 -0.99 1.10 -1.61 0.00 0.00 0.00 175.10 173.73 1jjj s GLU 119 N 0.16 3.43 0.13 2.72 2.02 -0.55 -1.09 118.70 125.53 1jjj s GLU 119 Ca 0.17 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 1jjj s GLU 119 Cb -0.13 -4.72 -0.06 0.00 0.10 0.00 0.00 34.13 29.32 1jjj s GLU 119 CO -0.07 -1.82 0.93 0.00 0.02 0.00 0.00 175.26 174.31 1jjj s VAL 121 N -0.28 -0.20 -0.34 0.00 0.11 -0.48 -0.13 120.40 119.09 1jjj s VAL 121 Ca 0.44 0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.80 1jjj s VAL 121 Cb -0.24 -0.28 0.08 0.00 -1.53 0.00 0.00 36.38 34.41 1jjj s VAL 121 CO 0.29 0.12 0.05 -0.32 -3.33 0.00 0.00 175.10 171.92 1jjj s MET 122 N 1.94 1.96 2.71 1.54 1.75 -0.47 -0.82 119.30 127.92 1jjj s MET 122 Ca -0.01 -1.63 0.00 0.00 -1.25 0.00 0.00 55.69 52.80 1jjj s MET 122 Cb -0.12 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.31 1jjj s MET 122 CO -0.06 -0.84 0.00 0.09 -0.65 0.00 0.00 175.02 173.56 1jjj n ASN 123 N 4.45 0.00 -0.40 1.11 3.02 -1.21 -1.00 115.26 121.24 1jjj n ASN 123 Ca -0.05 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.55 1jjj n ASN 123 Cb 0.42 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.64 1jjj n ASN 123 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1jjj n ASN 124 N 5.30 1.86 -4.46 6.41 6.94 -1.26 -5.04 115.26 125.01 1jjj n ASN 124 Ca 0.00 -1.43 -0.44 0.00 -0.02 0.00 0.00 54.58 52.69 1jjj n ASN 124 Cb 0.00 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1jjj s VAL 125 N -0.82 4.80 0.05 3.53 1.01 -0.17 -5.04 120.40 123.76 1jjj s VAL 125 Ca 0.12 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1jjj s VAL 125 Cb 0.08 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1jjj s VAL 125 CO 0.12 -0.83 0.51 0.42 0.00 0.00 0.00 175.10 175.32 1jjj s THR 126 N 2.83 4.84 -0.42 3.92 -4.23 -1.26 -1.37 115.64 119.95 1jjj s THR 126 Ca 0.18 1.07 0.02 0.00 -1.18 0.00 0.00 61.69 61.79 1jjj s THR 126 Cb -0.18 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 69.99 1jjj s THR 126 CO 0.13 0.56 0.29 0.00 -0.54 0.00 0.00 174.62 175.06 1jjj s THR 128 N 0.32 4.68 -0.32 0.00 2.01 -0.25 -1.89 115.64 120.20 1jjj s THR 128 Ca 0.25 0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 1jjj s THR 128 Cb -0.11 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.17 1jjj s THR 128 CO -0.09 -0.68 0.03 -0.13 -0.69 0.00 0.00 174.62 173.06 1jjj s ARG 129 N 3.20 2.35 -0.35 4.92 0.52 -0.25 -0.93 118.95 128.41 1jjj s ARG 129 Ca 0.29 -1.35 -0.19 0.00 -0.52 0.00 0.00 55.73 53.95 1jjj s ARG 129 Cb -0.12 -3.25 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 1jjj s ARG 129 CO 0.22 -0.69 0.56 0.42 0.02 0.00 0.00 175.30 175.82 1jjj s ILE 130 N 1.23 4.97 -0.25 1.52 -1.09 -0.03 -0.81 121.20 126.75 1jjj s ILE 130 Ca -0.03 0.41 -0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1jjj s ILE 130 Cb -0.20 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1jjj s ILE 130 CO -0.01 -0.26 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.04 1jjj s TYR 131 N 2.51 3.08 0.12 3.97 1.51 -0.36 -1.08 117.35 127.10 1jjj s TYR 131 Ca 0.21 -1.71 0.04 0.00 -1.01 0.00 0.00 57.07 54.60 1jjj s TYR 131 Cb -0.15 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1jjj s TYR 131 CO 0.14 -0.77 0.13 -1.83 -1.11 0.00 0.00 175.55 172.11 1jjj s GLU 132 N 1.28 2.98 -0.03 -0.62 4.04 -0.69 -0.72 118.70 124.94 1jjj s GLU 132 Ca -0.01 -0.74 -0.30 0.00 0.04 0.00 0.00 54.97 53.96 1jjj s GLU 132 Cb -0.17 -2.74 -0.03 0.00 0.02 0.00 0.00 34.13 31.21 1jjj s GLU 132 CO -0.05 0.53 1.08 0.21 -1.84 0.00 0.00 175.26 175.19 1jjj s LYS 133 N -2.76 4.44 -0.98 -4.83 2.20 -1.26 -0.74 119.74 115.82 1jjj s LYS 133 Ca 0.31 1.54 -0.15 0.00 -0.36 0.00 0.00 55.97 57.30 1jjj s LYS 133 Cb -0.11 -3.49 0.18 0.00 -1.51 0.00 0.00 37.83 32.90 1jjj s LYS 133 CO 0.24 -0.27 1.08 0.08 -0.36 0.00 0.00 175.35 176.12 1jjj s VAL 134 N 1.62 5.19 0.00 4.02 1.01 0.21 -4.94 120.40 127.51 1jjj s VAL 134 Ca 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1jjj s VAL 134 Cb -0.23 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1jjj s VAL 134 CO 0.24 -1.36 0.00 -0.62 0.00 0.00 0.00 175.10 173.36