#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj n VAL 4 N 0.00 0.00 -0.27 2.28 3.14 -1.26 -4.57 118.33 117.65 1jjj n VAL 4 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 1jjj n VAL 4 Cb 0.00 0.00 0.45 0.00 -1.06 0.00 0.00 33.84 33.23 1jjj n VAL 4 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1jjj h GLN 5 N 0.00 0.52 -0.87 1.45 -0.00 -1.99 -2.62 115.11 111.59 1jjj h GLN 5 Ca 0.00 -0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.75 1jjj h GLN 5 Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.30 1jjj h GLN 5 CO 0.00 0.34 0.56 1.96 0.00 0.00 0.00 178.83 181.70 1jjj h GLN 6 N 0.54 0.68 0.00 1.69 7.50 -2.01 -2.60 115.11 120.91 1jjj h GLN 6 Ca 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.59 1jjj h GLN 6 Cb 1.02 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.39 1jjj h GLN 6 CO -0.22 0.45 0.00 1.28 -1.50 0.00 0.00 178.83 178.84 1jjj n LEU 7 N -4.55 0.00 -4.74 1.46 4.77 -0.99 -4.90 117.00 108.06 1jjj n LEU 7 Ca 0.17 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.87 1jjj n LEU 7 Cb 0.44 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1jjj n LEU 7 CO 0.30 -0.06 0.59 -1.61 -1.33 0.00 0.00 177.39 175.28 1jjj s GLU 8 N -2.26 4.63 0.00 3.23 2.02 -0.98 -4.73 118.70 120.61 1jjj s GLU 8 Ca 0.21 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1jjj s GLU 8 Cb 0.11 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1jjj s GLU 8 CO 0.22 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1jjj n GLY 9 N 2.27 0.04 3.42 -1.39 0.00 -0.44 -4.97 105.19 104.12 1jjj n GLY 9 Ca 0.00 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.83 3.10 -0.44 1.61 3.52 -1.26 -1.18 118.95 122.46 1jjj s ARG 10 Ca 0.00 -1.04 -0.08 0.00 -0.13 0.00 0.00 55.73 54.48 1jjj s ARG 10 Cb 0.00 -4.18 0.10 0.00 -1.56 0.00 0.00 34.95 29.31 1jjj s ARG 10 CO 0.00 -1.44 0.28 -1.58 -0.81 0.00 0.00 175.30 171.75 1jjj s TRP 11 N 2.87 3.43 -0.16 5.12 0.52 -0.61 -0.97 118.94 129.13 1jjj s TRP 11 Ca 0.15 -1.88 -0.20 0.00 0.02 0.00 0.00 56.10 54.19 1jjj s TRP 11 Cb -0.21 -3.23 -0.03 0.00 -1.15 0.00 0.00 33.47 28.85 1jjj s TRP 11 CO 0.10 -0.94 0.58 0.50 0.02 0.00 0.00 176.95 177.21 1jjj s ARG 12 N 1.33 4.26 0.07 4.98 3.00 0.16 -0.61 118.95 132.14 1jjj s ARG 12 Ca 0.05 0.57 -0.31 0.00 -1.00 0.00 0.00 55.73 55.04 1jjj s ARG 12 Cb -0.24 -3.53 -0.08 0.00 0.00 0.00 0.00 34.95 31.09 1jjj s ARG 12 CO -0.01 -0.10 1.67 -1.17 0.00 0.00 0.00 175.30 175.69 1jjj s LEU 13 N 1.44 4.37 -0.05 -0.88 2.96 -0.33 -0.86 118.68 125.32 1jjj s LEU 13 Ca 0.28 2.51 -0.01 0.00 -0.22 0.00 0.00 54.13 56.69 1jjj s LEU 13 Cb -0.16 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 13 CO 0.11 -0.90 -0.05 1.33 -1.32 0.00 0.00 176.35 175.52 1jjj n VAL 14 N 4.72 0.27 -4.27 1.68 0.24 -0.12 -4.76 118.33 116.10 1jjj n VAL 14 Ca 0.16 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.19 1jjj n VAL 14 Cb 0.40 -1.10 -0.11 0.00 -1.47 0.00 0.00 33.84 31.56 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 -4.93 2.16 -0.44 -1.34 2.15 -1.20 -4.99 116.67 108.07 1jjj s ASP 15 Ca -0.07 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.12 1jjj s ASP 15 Cb 0.02 -0.09 0.18 0.00 -0.30 0.00 0.00 42.92 42.73 1jjj s ASP 15 CO 0.10 -0.14 0.56 -0.94 -0.17 0.00 0.00 175.17 174.57 1jjj s SER 16 N -2.63 -0.35 0.23 -0.34 1.04 -1.26 -0.93 113.70 109.46 1jjj s SER 16 Ca 0.12 -1.75 -0.30 0.00 0.48 0.00 0.00 55.95 54.50 1jjj s SER 16 Cb -0.04 1.18 -0.09 0.00 0.10 0.00 0.00 66.02 67.18 1jjj s SER 16 CO 0.04 -0.14 1.03 -1.59 0.98 0.00 0.00 173.24 173.55 1jjj s LYS 17 N 1.05 4.72 -1.52 4.02 0.00 -0.75 -3.91 119.74 123.34 1jjj s LYS 17 Ca 0.25 1.64 0.00 0.00 0.00 0.00 0.00 55.97 57.86 1jjj s LYS 17 Cb -0.04 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.54 1jjj s LYS 17 CO -0.07 0.30 0.00 0.41 0.00 0.00 0.00 175.35 175.99 1jjj n GLY 18 N 1.55 0.95 0.12 0.59 0.00 -1.26 -1.79 105.19 105.35 1jjj n GLY 18 Ca -0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 0.45 -0.68 1.61 3.57 -1.94 -2.56 116.94 117.40 1jjj h PHE 19 Ca -0.33 -0.33 0.14 0.00 3.53 0.00 0.00 57.97 60.98 1jjj h PHE 19 Cb 1.09 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.71 1jjj h PHE 19 CO 0.42 1.55 0.14 0.22 -2.23 0.00 0.00 178.31 178.41 1jjj h ASP 20 N -0.29 -0.03 -0.37 0.41 3.58 -1.94 -1.16 116.42 116.62 1jjj h ASP 20 Ca -0.30 0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.35 1jjj h ASP 20 Cb 1.77 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 42.95 1jjj h ASP 20 CO 0.06 -0.03 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.06 1jjj h GLU 21 N 0.25 0.10 -0.24 0.28 5.08 -1.99 -1.20 114.58 116.85 1jjj h GLU 21 Ca 0.37 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1jjj h GLU 21 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1jjj h GLU 21 CO -0.48 0.06 0.14 -0.92 -1.00 0.00 0.00 179.01 176.81 1jjj h TYR 22 N 0.10 0.32 -0.21 4.33 3.20 -1.09 -0.53 116.97 123.09 1jjj h TYR 22 Ca 0.18 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1jjj h TYR 22 Cb 0.25 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1jjj h TYR 22 CO -0.26 0.26 -0.08 0.52 -1.64 0.00 0.00 178.16 176.96 1jjj h MET 23 N 0.28 0.33 -0.23 1.82 2.86 -1.25 -0.47 114.93 118.26 1jjj h MET 23 Ca 0.08 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1jjj h MET 23 Cb 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1jjj h MET 23 CO -0.01 0.42 0.08 0.87 1.06 0.00 0.00 176.91 179.33 1jjj h LYS 24 N 0.31 0.19 -0.94 1.72 1.57 -1.09 -0.04 116.57 118.30 1jjj h LYS 24 Ca 0.07 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1jjj h LYS 24 Cb 0.35 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1jjj h LYS 24 CO 0.02 0.13 0.61 1.49 -0.57 0.00 0.00 179.45 181.12 1jjj h GLU 25 N 0.19 1.24 -0.09 3.15 4.81 -0.81 -2.82 114.58 120.26 1jjj h GLU 25 Ca 0.10 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1jjj h GLU 25 Cb 0.06 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1jjj h GLU 25 CO -0.10 0.83 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.90 1jjj h LEU 26 N 1.27 -0.14 0.00 1.64 3.38 -1.15 -3.49 115.31 116.82 1jjj h LEU 26 Ca 0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jjj h LEU 26 Cb -0.13 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jjj h LEU 26 CO -0.07 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1jjj n GLY 27 N -1.17 0.62 3.42 0.83 0.00 -0.23 -5.10 105.19 103.57 1jjj n GLY 27 Ca -0.05 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.15 3.35 0.79 1.61 1.01 -0.20 -5.01 120.40 121.80 1jjj s VAL 28 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1jjj s VAL 28 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1jjj s VAL 28 CO 0.00 0.52 1.10 -0.83 0.00 0.00 0.00 175.10 175.89 1jjj s GLY 29 N 0.32 1.69 0.14 4.51 0.00 -1.26 -4.64 107.32 108.08 1jjj s GLY 29 Ca -0.08 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1jjj s GLY 29 CO 0.05 0.68 1.73 -2.22 0.00 0.00 0.00 173.10 173.34 1jjj h ILE 30 N -1.20 0.87 -0.67 0.90 5.03 -2.00 -0.63 117.51 119.81 1jjj h ILE 30 Ca -0.44 -0.05 0.03 0.00 -0.12 0.00 0.00 64.86 64.28 1jjj h ILE 30 Cb 1.24 0.70 -0.04 0.00 -3.03 0.00 0.00 36.82 35.69 1jjj h ILE 30 CO 0.50 0.03 0.41 0.00 -0.68 0.00 0.00 178.15 178.41 1jjj h ALA 31 N 1.20 0.88 -0.68 1.87 0.00 -1.99 -0.39 119.26 120.14 1jjj h ALA 31 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jjj h ALA 31 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1jjj h ALA 31 CO -0.16 0.17 0.12 -0.07 0.00 0.00 0.00 179.25 179.30 1jjj h LEU 32 N 0.81 1.08 -0.57 0.00 3.38 -1.88 -1.38 115.31 116.76 1jjj h LEU 32 Ca 0.27 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1jjj h LEU 32 Cb 0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1jjj h LEU 32 CO -0.12 1.06 0.20 0.03 0.09 0.00 0.00 178.44 179.70 1jjj h ARG 33 N 1.06 0.86 -0.30 1.13 3.08 -1.05 -0.45 114.38 118.71 1jjj h ARG 33 Ca 0.21 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1jjj h ARG 33 Cb 0.43 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1jjj h ARG 33 CO 0.01 0.77 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.40 1jjj h LYS 34 N 0.78 0.02 -0.01 0.04 3.64 -1.05 -0.09 116.57 119.90 1jjj h LYS 34 Ca 0.18 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1jjj h LYS 34 Cb 0.25 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1jjj h LYS 34 CO -0.01 0.01 -0.32 1.98 -2.27 0.00 0.00 179.45 178.84 1jjj h MET 35 N 0.02 -0.45 -0.88 1.90 4.05 -1.25 -2.97 114.93 115.35 1jjj h MET 35 Ca 0.14 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.70 1jjj h MET 35 Cb 0.21 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 1jjj h MET 35 CO -0.29 -0.30 0.57 0.78 0.23 0.00 0.00 176.91 177.90 1jjj h GLY 36 N -0.47 1.25 0.68 1.39 0.00 -0.94 -0.86 103.07 104.13 1jjj h GLY 36 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jjj h GLY 36 CO -0.27 0.17 -0.03 0.00 0.00 0.00 0.00 176.54 176.40 1jjj h ALA 37 N 1.57 -0.10 0.00 3.60 0.00 -1.03 -3.33 119.26 119.98 1jjj h ALA 37 Ca 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1jjj h ALA 37 Cb 0.49 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jjj h ALA 37 CO -0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 179.25 178.63 1jjj h MET 38 N -0.41 0.00 -6.26 0.00 -0.00 -1.53 -3.43 114.93 103.28 1jjj h MET 38 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 59.13 1jjj h MET 38 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 1jjj h MET 38 CO 0.02 0.04 1.16 0.00 -0.00 0.00 0.00 176.91 178.12 1jjj s ALA 39 N -3.32 3.27 -0.81 -3.00 0.00 -0.33 -5.00 121.76 112.57 1jjj s ALA 39 Ca 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1jjj s ALA 39 Cb 0.06 -3.86 0.20 0.00 0.00 0.00 0.00 23.12 19.53 1jjj s ALA 39 CO 0.64 -1.95 0.68 -1.59 0.00 0.00 0.00 175.76 173.54 1jjj s LYS 40 N 4.74 3.11 0.49 0.00 0.00 -1.26 -4.90 119.74 121.92 1jjj s LYS 40 Ca 0.75 -2.97 -0.19 0.00 0.00 0.00 0.00 55.97 53.55 1jjj s LYS 40 Cb -0.27 -3.95 -0.08 0.00 0.00 0.00 0.00 37.83 33.53 1jjj s LYS 40 CO 0.30 -1.24 1.01 -1.25 0.00 0.00 0.00 175.35 174.18 1jjj s PRO 41 N -0.81 3.85 -0.64 1.78 0.04 -1.26 -4.40 135.00 133.55 1jjj s PRO 41 Ca 0.23 1.21 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1jjj s PRO 41 Cb -0.12 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1jjj s PRO 41 CO -0.09 -0.37 1.07 -0.51 0.04 0.00 0.00 177.00 177.14 1jjj s ASP 42 N -2.34 6.25 -0.70 6.66 1.11 -0.31 -1.19 116.67 126.16 1jjj s ASP 42 Ca 0.64 -0.53 -0.27 0.00 0.18 0.00 0.00 52.55 52.57 1jjj s ASP 42 Cb -0.13 -2.48 0.02 0.00 1.07 0.00 0.00 42.92 41.40 1jjj s ASP 42 CO 0.23 -1.50 1.40 0.00 1.18 0.00 0.00 175.17 176.48 1jjj s ILE 44 N 6.38 4.93 -0.19 0.00 1.01 0.11 -1.57 121.20 131.88 1jjj s ILE 44 Ca 0.43 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1jjj s ILE 44 Cb -0.09 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1jjj s ILE 44 CO 0.17 -0.97 0.16 -0.63 0.00 0.00 0.00 174.94 173.67 1jjj s ILE 45 N 2.41 5.40 -0.00 2.92 1.01 -0.33 -1.72 121.20 130.89 1jjj s ILE 45 Ca 0.10 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1jjj s ILE 45 Cb -0.24 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 1jjj s ILE 45 CO 0.07 0.44 -0.05 0.28 0.00 0.00 0.00 174.94 175.68 1jjj s THR 46 N 0.29 0.39 -0.31 2.92 -1.32 -0.70 -1.33 115.64 115.58 1jjj s THR 46 Ca 0.10 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1jjj s THR 46 Cb -0.11 -0.33 0.09 0.00 -1.51 0.00 0.00 72.50 70.63 1jjj s THR 46 CO -0.01 0.10 0.00 0.00 -2.21 0.00 0.00 174.62 172.50 1jjj n ASP 48 N 4.33 4.68 0.00 0.00 2.03 -0.36 -4.88 116.55 122.36 1jjj n ASP 48 Ca -0.03 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1jjj n ASP 48 Cb 0.42 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 49 N 4.50 0.76 0.00 0.27 0.00 -1.26 -2.31 105.19 107.15 1jjj n GLY 49 Ca 0.47 0.59 0.08 0.00 0.00 0.00 0.00 46.02 47.16 1jjj n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjj n LYS 50 N 0.00 0.98 -3.60 1.61 4.76 -1.26 -4.95 118.16 115.69 1jjj n LYS 50 Ca 0.00 -0.10 -0.39 0.00 -2.87 0.00 0.00 58.31 54.96 1jjj n LYS 50 Cb 0.00 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jjj s ASN 51 N -3.35 5.81 -0.25 4.39 2.20 -0.98 -0.36 114.94 122.41 1jjj s ASN 51 Ca -0.02 -0.34 -0.04 0.00 -0.94 0.00 0.00 52.86 51.53 1jjj s ASN 51 Cb 0.11 -2.07 0.01 0.00 -2.00 0.00 0.00 41.25 37.29 1jjj s ASN 51 CO 0.65 -0.16 -0.02 -0.22 -2.94 0.00 0.00 177.10 174.40 1jjj s LEU 52 N 1.69 3.24 -0.23 3.54 0.20 0.15 -1.22 118.68 126.05 1jjj s LEU 52 Ca 0.06 -0.67 -0.11 0.00 0.69 0.00 0.00 54.13 54.10 1jjj s LEU 52 Cb -0.17 -1.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 1jjj s LEU 52 CO 0.09 -0.11 0.18 -0.89 -0.29 0.00 0.00 176.35 175.33 1jjj s THR 53 N 1.42 5.35 -0.25 3.68 2.01 -0.01 -0.98 115.64 126.86 1jjj s THR 53 Ca 0.03 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1jjj s THR 53 Cb -0.16 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.88 1jjj s THR 53 CO -0.02 0.35 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.51 1jjj s ILE 54 N 0.99 2.24 -0.42 1.82 1.01 -0.25 -1.71 121.20 124.87 1jjj s ILE 54 Ca 0.09 -1.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 1jjj s ILE 54 Cb -0.13 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1jjj s ILE 54 CO 0.04 0.09 0.38 -0.75 0.00 0.00 0.00 174.94 174.70 1jjj s LYS 55 N 1.16 3.04 -0.57 2.79 2.20 -0.70 -1.60 119.74 126.06 1jjj s LYS 55 Ca -0.05 -0.88 -0.21 0.00 -0.36 0.00 0.00 55.97 54.46 1jjj s LYS 55 Cb -0.18 -3.98 0.06 0.00 -1.51 0.00 0.00 37.83 32.22 1jjj s LYS 55 CO -0.06 -0.82 0.80 0.99 -0.36 0.00 0.00 175.35 175.89 1jjj s THR 56 N 1.94 4.61 -0.31 3.43 2.01 0.50 -0.71 115.64 127.11 1jjj s THR 56 Ca 0.09 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1jjj s THR 56 Cb -0.18 -4.48 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 1jjj s THR 56 CO 0.12 -1.09 0.20 -1.61 -0.69 0.00 0.00 174.62 171.54 1jjj s GLU 57 N 3.31 3.58 -0.04 4.92 0.41 -0.17 -1.13 118.70 129.57 1jjj s GLU 57 Ca 0.20 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 54.14 1jjj s GLU 57 Cb -0.18 -3.68 0.01 0.00 -1.78 0.00 0.00 34.13 28.50 1jjj s GLU 57 CO 0.12 -0.36 0.12 0.45 -0.49 0.00 0.00 175.26 175.10 1jjj s SER 58 N 1.70 -0.11 0.25 -0.19 0.15 -1.25 -1.16 113.70 113.09 1jjj s SER 58 Ca 0.06 0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 1jjj s SER 58 Cb -0.17 0.23 0.49 0.00 -1.71 0.00 0.00 66.02 64.86 1jjj s SER 58 CO 0.09 -0.06 1.72 0.71 1.20 0.00 0.00 173.24 176.91 1jjj h THR 59 N 4.94 0.62 -0.81 6.45 1.35 -1.98 -1.81 112.91 121.67 1jjj h THR 59 Ca -0.25 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 1jjj h THR 59 Cb 1.20 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1jjj h THR 59 CO 0.43 0.08 0.40 -0.07 -0.25 0.00 0.00 175.52 176.11 1jjj h LEU 60 N 0.42 1.05 -6.00 3.87 3.38 -1.98 -3.44 115.31 112.61 1jjj h LEU 60 Ca 0.43 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.34 1jjj h LEU 60 Cb 0.68 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.95 1jjj h LEU 60 CO -0.43 0.88 -0.30 -0.75 0.09 0.00 0.00 178.44 177.93 1jjj s LYS 61 N -5.73 0.53 0.16 1.13 2.36 -0.70 -5.12 119.74 112.37 1jjj s LYS 61 Ca -0.13 0.68 -0.14 0.00 -2.55 0.00 0.00 55.97 53.83 1jjj s LYS 61 Cb 0.16 0.34 -0.07 0.00 -1.05 0.00 0.00 37.83 37.21 1jjj s LYS 61 CO 0.82 -0.83 0.55 0.99 1.55 0.00 0.00 175.35 178.44 1jjj s THR 62 N 2.85 4.86 -0.12 3.43 2.01 -1.12 -3.76 115.64 123.80 1jjj s THR 62 Ca 0.14 0.79 -0.09 0.00 0.31 0.00 0.00 61.69 62.84 1jjj s THR 62 Cb -0.11 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1jjj s THR 62 CO -0.24 0.20 0.30 -0.89 -0.69 0.00 0.00 174.62 173.30 1jjj s THR 63 N -1.52 -0.01 -0.05 -0.82 2.01 -0.29 -4.98 115.64 109.97 1jjj s THR 63 Ca 0.39 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1jjj s THR 63 Cb -0.14 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1jjj s THR 63 CO 0.19 0.02 -0.15 -1.58 -0.69 0.00 0.00 174.62 172.41 1jjj s GLN 64 N 0.60 1.77 0.05 4.92 -0.44 -1.26 -0.37 119.66 124.93 1jjj s GLN 64 Ca -0.04 -0.54 0.02 0.00 -2.50 0.00 0.00 55.36 52.30 1jjj s GLN 64 Cb -0.05 -1.50 -0.03 0.00 -1.64 0.00 0.00 33.01 29.80 1jjj s GLN 64 CO -0.04 0.16 -0.07 -0.59 0.50 0.00 0.00 175.29 175.25 1jjj s PHE 65 N 0.26 0.67 -0.33 1.67 -0.12 -0.63 -5.01 117.98 114.50 1jjj s PHE 65 Ca -0.08 -0.59 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 1jjj s PHE 65 Cb -0.13 -0.41 0.08 0.00 -0.63 0.00 0.00 43.02 41.94 1jjj s PHE 65 CO 0.03 -0.11 0.03 -1.54 -0.05 0.00 0.00 175.22 173.58 1jjj s SER 66 N -1.87 4.80 0.18 1.98 1.04 -1.26 -1.09 113.70 117.48 1jjj s SER 66 Ca -0.06 -1.82 -0.04 0.00 0.48 0.00 0.00 55.95 54.52 1jjj s SER 66 Cb -0.07 -1.66 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 1jjj s SER 66 CO -0.01 -0.34 0.41 0.00 0.98 0.00 0.00 173.24 174.28 1jjj s THR 68 N -1.79 5.15 0.14 0.00 2.01 -1.26 -0.67 115.64 119.22 1jjj s THR 68 Ca 0.41 1.00 -0.31 0.00 0.31 0.00 0.00 61.69 63.10 1jjj s THR 68 Cb -0.12 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1jjj s THR 68 CO 0.27 0.34 1.35 -0.22 -0.69 0.00 0.00 174.62 175.67 1jjj s LEU 69 N 0.50 4.38 0.00 4.42 2.96 0.52 -2.01 118.68 129.45 1jjj s LEU 69 Ca 0.27 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1jjj s LEU 69 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 69 CO 0.11 -0.61 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1jjj n GLY 70 N 3.14 1.45 3.53 7.98 0.00 0.74 -4.97 105.19 117.06 1jjj n GLY 70 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N -0.12 1.82 -0.30 1.61 -6.30 -0.85 -4.75 118.70 109.81 1jjj s GLU 71 Ca 0.00 -2.05 -0.03 0.00 -2.50 0.00 0.00 54.97 50.39 1jjj s GLU 71 Cb 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 34.13 33.11 1jjj s GLU 71 CO 0.00 -0.22 0.02 0.21 0.02 0.00 0.00 175.26 175.29 1jjj s LYS 72 N -3.82 2.54 0.26 4.30 2.20 -1.26 -2.58 119.74 121.39 1jjj s LYS 72 Ca 0.31 -1.20 0.07 0.00 -0.36 0.00 0.00 55.97 54.80 1jjj s LYS 72 Cb 0.07 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1jjj s LYS 72 CO 0.15 -0.59 0.21 -0.59 -0.36 0.00 0.00 175.35 174.17 1jjj s PHE 73 N 1.30 3.09 -0.55 4.03 -0.71 -0.96 -4.80 117.98 119.38 1jjj s PHE 73 Ca -0.04 -0.14 -0.27 0.00 -1.04 0.00 0.00 56.93 55.45 1jjj s PHE 73 Cb -0.19 -1.46 0.03 0.00 -1.21 0.00 0.00 43.02 40.19 1jjj s PHE 73 CO -0.00 0.47 1.08 -2.00 -1.34 0.00 0.00 175.22 173.43 1jjj s GLU 74 N -3.87 3.47 -0.61 1.99 2.12 -1.26 -0.37 118.70 120.17 1jjj s GLU 74 Ca 0.34 0.10 -0.22 0.00 0.36 0.00 0.00 54.97 55.55 1jjj s GLU 74 Cb -0.08 -4.01 0.07 0.00 0.26 0.00 0.00 34.13 30.37 1jjj s GLU 74 CO 0.25 -1.55 0.89 -2.00 -0.54 0.00 0.00 175.26 172.31 1jjj s GLU 75 N 4.48 3.16 -0.43 4.30 2.12 -0.10 -4.86 118.70 127.37 1jjj s GLU 75 Ca 0.39 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.67 1jjj s GLU 75 Cb -0.09 -4.17 0.02 0.00 0.26 0.00 0.00 34.13 30.14 1jjj s GLU 75 CO 0.24 -1.63 1.24 0.99 -0.54 0.00 0.00 175.26 175.56 1jjj s THR 76 N 3.71 4.11 0.15 -1.70 2.01 -1.26 -1.04 115.64 121.62 1jjj s THR 76 Ca 0.22 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 1jjj s THR 76 Cb -0.17 -4.42 -0.07 0.00 0.01 0.00 0.00 72.50 67.85 1jjj s THR 76 CO 0.12 -0.85 1.11 0.42 -0.69 0.00 0.00 174.62 174.73 1jjj s THR 77 N 4.75 3.94 0.58 -0.82 -4.23 -0.13 -4.98 115.64 114.76 1jjj s THR 77 Ca 0.53 1.60 0.28 0.00 -1.18 0.00 0.00 61.69 62.92 1jjj s THR 77 Cb -0.10 -4.02 0.35 0.00 1.34 0.00 0.00 72.50 70.06 1jjj s THR 77 CO 0.30 0.24 2.19 0.00 -0.54 0.00 0.00 174.62 176.81 1jjj h ALA 78 N 5.52 1.68 0.00 3.99 0.00 -1.96 0.15 119.26 128.64 1jjj h ALA 78 Ca -0.44 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1jjj h ALA 78 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1jjj h ALA 78 CO 0.74 -0.11 -0.29 0.22 0.00 0.00 0.00 179.25 179.81 1jjj h ASP 79 N 0.00 0.00 0.00 0.00 3.58 -1.98 -3.48 116.42 114.54 1jjj h ASP 79 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1jjj h ASP 79 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1jjj h ASP 79 CO -0.00 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 1jjj n GLY 80 N -0.29 1.45 3.74 -0.78 0.00 0.04 -5.08 105.19 104.27 1jjj n GLY 80 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.59 -0.35 1.61 0.52 -1.23 -4.71 118.95 119.38 1jjj s ARG 81 Ca 0.00 1.75 -0.18 0.00 -0.52 0.00 0.00 55.73 56.78 1jjj s ARG 81 Cb 0.00 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.21 1jjj s ARG 81 CO 0.00 0.09 0.52 0.15 0.02 0.00 0.00 175.30 176.08 1jjj s LYS 82 N -0.56 3.63 -0.25 3.54 3.01 -1.26 -0.95 119.74 126.90 1jjj s LYS 82 Ca 0.49 -0.14 0.02 0.00 -1.01 0.00 0.00 55.97 55.33 1jjj s LYS 82 Cb -0.30 -3.80 0.05 0.00 -1.01 0.00 0.00 37.83 32.77 1jjj s LYS 82 CO 0.36 -0.64 -0.11 0.95 0.51 0.00 0.00 175.35 176.42 1jjj s THR 83 N 2.40 2.25 -0.69 2.17 -4.23 -0.20 -4.73 115.64 112.62 1jjj s THR 83 Ca 0.19 -1.51 -0.26 0.00 -1.18 0.00 0.00 61.69 58.93 1jjj s THR 83 Cb -0.15 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1jjj s THR 83 CO 0.13 0.04 1.77 -1.10 -0.54 0.00 0.00 174.62 174.92 1jjj s GLN 84 N 1.14 2.74 -0.33 3.99 1.11 -0.09 -0.92 119.66 127.30 1jjj s GLN 84 Ca -0.07 0.29 -0.03 0.00 0.01 0.00 0.00 55.36 55.56 1jjj s GLN 84 Cb -0.19 -4.48 0.06 0.00 -1.01 0.00 0.00 33.01 27.38 1jjj s GLN 84 CO -0.06 -2.71 0.06 0.99 0.01 0.00 0.00 175.29 173.58 1jjj s THR 85 N 8.55 3.26 -0.21 -0.19 2.01 0.49 -1.76 115.64 127.79 1jjj s THR 85 Ca 0.62 -1.41 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 1jjj s THR 85 Cb -0.11 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1jjj s THR 85 CO 0.16 -0.21 0.65 0.54 -0.69 0.00 0.00 174.62 175.06 1jjj s VAL 86 N 1.28 5.00 -0.79 3.82 0.11 -0.76 -2.25 120.40 126.80 1jjj s VAL 86 Ca -0.02 1.21 -0.08 0.00 -2.93 0.00 0.00 61.98 60.16 1jjj s VAL 86 Cb -0.20 -3.96 0.21 0.00 -1.53 0.00 0.00 36.38 30.90 1jjj s VAL 86 CO -0.00 0.08 0.69 0.00 -3.33 0.00 0.00 175.10 172.54 1jjj s ASN 88 N 1.30 5.72 0.04 0.00 -0.87 -0.51 -0.19 114.94 120.43 1jjj s ASN 88 Ca 0.20 -0.14 -0.30 0.00 -1.57 0.00 0.00 52.86 51.05 1jjj s ASN 88 Cb -0.13 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1jjj s ASN 88 CO -0.07 -0.07 0.97 0.12 -2.57 0.00 0.00 177.10 175.47 1jjj s PHE 89 N 1.70 3.72 -0.33 2.20 5.36 -1.26 -0.64 117.98 128.73 1jjj s PHE 89 Ca 0.07 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 57.76 1jjj s PHE 89 Cb -0.16 -3.09 0.11 0.00 -0.34 0.00 0.00 43.02 39.54 1jjj s PHE 89 CO 0.08 0.08 0.13 -0.08 -1.46 0.00 0.00 175.22 173.98 1jjj s THR 90 N 0.59 0.80 0.00 0.12 -1.32 -0.04 -4.99 115.64 110.79 1jjj s THR 90 Ca 0.50 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 1jjj s THR 90 Cb -0.22 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 1jjj s THR 90 CO 0.29 -0.75 0.00 -0.67 -2.21 0.00 0.00 174.62 171.28 1jjj n ASP 91 N 4.61 0.00 -2.03 8.08 2.03 -1.26 -2.75 116.55 125.23 1jjj n ASP 91 Ca 0.01 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.31 1jjj n ASP 91 Cb 0.40 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 92 N 0.00 2.44 3.40 0.27 0.00 -1.26 -4.78 105.19 105.26 1jjj n GLY 92 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.38 -1.24 -0.34 4.61 0.00 -1.11 -2.17 121.76 119.13 1jjj s ALA 93 Ca 0.34 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 1jjj s ALA 93 Cb 0.36 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1jjj s ALA 93 CO -0.08 -0.24 0.33 -1.17 0.00 0.00 0.00 175.76 174.60 1jjj s LEU 94 N 0.36 4.45 -0.62 0.00 2.96 -0.96 -0.87 118.68 124.00 1jjj s LEU 94 Ca -0.01 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 1jjj s LEU 94 Cb -0.04 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.42 1jjj s LEU 94 CO -0.00 -0.31 0.94 -0.69 -1.32 0.00 0.00 176.35 174.96 1jjj s VAL 95 N 1.95 4.37 -0.81 1.68 1.01 0.19 -0.93 120.40 127.86 1jjj s VAL 95 Ca 0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1jjj s VAL 95 Cb -0.17 -4.62 0.10 0.00 0.00 0.00 0.00 36.38 31.69 1jjj s VAL 95 CO 0.11 -1.33 1.06 -1.58 0.00 0.00 0.00 175.10 173.36 1jjj s GLN 96 N 3.95 3.38 -0.63 2.72 0.74 -0.20 -1.42 119.66 128.19 1jjj s GLN 96 Ca 0.24 -1.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.15 1jjj s GLN 96 Cb -0.16 -4.63 0.12 0.00 1.10 0.00 0.00 33.01 29.44 1jjj s GLN 96 CO 0.13 -1.81 0.70 -1.58 -0.55 0.00 0.00 175.29 172.18 1jjj s HIS 97 N 3.39 3.15 0.25 1.67 2.46 -0.50 -1.30 115.29 124.42 1jjj s HIS 97 Ca 0.28 -1.18 -0.30 0.00 0.47 0.00 0.00 55.06 54.33 1jjj s HIS 97 Cb -0.10 -3.97 -0.09 0.00 -0.13 0.00 0.00 32.58 28.29 1jjj s HIS 97 CO -0.01 -1.22 1.22 -0.65 -2.47 0.00 0.00 174.74 171.62 1jjj s GLN 98 N 2.16 4.48 -0.06 2.88 -0.21 0.18 -1.83 119.66 127.25 1jjj s GLN 98 Ca 0.12 1.98 -0.01 0.00 0.02 0.00 0.00 55.36 57.47 1jjj s GLN 98 Cb -0.22 -3.18 0.03 0.00 1.00 0.00 0.00 33.01 30.64 1jjj s GLN 98 CO 0.03 -0.07 0.01 -1.21 -2.12 0.00 0.00 175.29 171.93 1jjj s GLU 99 N -0.91 0.41 -0.26 2.91 2.02 -0.72 -1.40 118.70 120.75 1jjj s GLU 99 Ca 0.50 0.16 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 1jjj s GLU 99 Cb -0.35 -0.79 0.09 0.00 0.10 0.00 0.00 34.13 33.17 1jjj s GLU 99 CO 0.42 -0.28 0.63 1.67 0.02 0.00 0.00 175.26 177.72 1jjj s TRP 100 N 1.86 -1.05 -1.46 1.61 -2.14 -0.32 -0.92 118.94 116.51 1jjj s TRP 100 Ca 0.02 2.03 -0.11 0.00 2.66 0.00 0.00 56.10 60.71 1jjj s TRP 100 Cb -0.12 0.61 0.06 0.00 -3.10 0.00 0.00 33.47 30.91 1jjj s TRP 100 CO -0.04 -0.53 0.80 -0.25 -2.66 0.00 0.00 176.95 174.26 1jjj n ASP 101 N 4.64 -4.93 0.00 -2.66 8.00 -1.26 -1.24 116.55 119.10 1jjj n ASP 101 Ca -0.18 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1jjj n ASP 101 Cb 0.56 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 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 -1.55 1.98 3.81 0.44 0.00 -1.26 -5.05 105.19 103.57 1jjj n GLY 102 Ca -0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 3.45 0.05 1.61 1.02 -0.37 -5.11 119.74 120.38 1jjj s LYS 103 Ca 0.00 1.16 -0.16 0.00 0.02 0.00 0.00 55.97 56.99 1jjj s LYS 103 Cb 0.00 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1jjj s LYS 103 CO 0.00 -0.70 0.36 -1.83 -0.92 0.00 0.00 175.35 172.26 1jjj s GLU 104 N -4.06 0.87 -0.09 1.68 -1.05 -1.26 -1.18 118.70 113.61 1jjj s GLU 104 Ca 0.63 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.96 1jjj s GLU 104 Cb -0.15 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1jjj s GLU 104 CO 0.36 -0.29 0.18 0.45 0.95 0.00 0.00 175.26 176.91 1jjj s SER 105 N -2.06 0.50 -0.04 0.83 0.15 -0.49 -4.36 113.70 108.22 1jjj s SER 105 Ca -0.05 0.40 -0.23 0.00 0.70 0.00 0.00 55.95 56.76 1jjj s SER 105 Cb -0.01 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1jjj s SER 105 CO -0.03 -0.23 0.70 0.42 1.20 0.00 0.00 173.24 175.30 1jjj s THR 106 N 2.12 4.98 -0.32 6.45 -4.23 -0.86 -0.65 115.64 123.13 1jjj s THR 106 Ca 0.00 1.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.99 1jjj s THR 106 Cb -0.12 -4.04 0.09 0.00 1.34 0.00 0.00 72.50 69.78 1jjj s THR 106 CO -0.06 0.29 0.05 -0.63 -0.54 0.00 0.00 174.62 173.72 1jjj s ILE 107 N 0.54 1.88 -0.46 2.99 1.01 -0.42 -1.49 121.20 125.25 1jjj s ILE 107 Ca 0.37 -2.00 -0.19 0.00 0.00 0.00 0.00 60.65 58.83 1jjj s ILE 107 Cb -0.18 -2.35 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1jjj s ILE 107 CO 0.19 -0.55 0.60 -0.89 0.00 0.00 0.00 174.94 174.29 1jjj s THR 108 N 1.12 4.89 -0.91 2.92 2.01 -0.02 -1.03 115.64 124.62 1jjj s THR 108 Ca 0.08 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 1jjj s THR 108 Cb -0.19 -4.22 0.21 0.00 0.01 0.00 0.00 72.50 68.32 1jjj s THR 108 CO -0.12 -0.66 0.91 -0.13 -0.69 0.00 0.00 174.62 173.93 1jjj s ARG 109 N 2.62 3.73 -0.03 4.92 0.52 -0.11 -1.04 118.95 129.57 1jjj s ARG 109 Ca 0.17 -2.50 -0.09 0.00 -0.52 0.00 0.00 55.73 52.80 1jjj s ARG 109 Cb -0.17 -4.55 -0.05 0.00 0.52 0.00 0.00 34.95 30.70 1jjj s ARG 109 CO 0.15 -1.37 0.27 -1.59 0.02 0.00 0.00 175.30 172.77 1jjj s LYS 110 N 0.35 3.62 -0.23 3.54 -2.85 -0.64 -2.28 119.74 121.25 1jjj s LYS 110 Ca 0.23 0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 54.99 1jjj s LYS 110 Cb -0.09 -3.14 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 1jjj s LYS 110 CO -0.09 0.69 0.80 -1.17 0.10 0.00 0.00 175.35 175.69 1jjj s LEU 111 N -1.41 4.10 0.00 2.77 1.98 -0.92 -1.06 118.68 124.14 1jjj s LEU 111 Ca 0.23 1.03 0.00 0.00 -2.89 0.00 0.00 54.13 52.50 1jjj s LEU 111 Cb -0.14 -3.16 0.00 0.00 0.66 0.00 0.00 46.19 43.56 1jjj s LEU 111 CO 0.12 -0.47 0.00 1.17 -1.89 0.00 0.00 176.35 175.28 1jjj n LYS 112 N 5.79 0.07 -1.83 1.98 4.81 -0.26 -4.99 118.16 123.73 1jjj n LYS 112 Ca 0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 1jjj n LYS 112 Cb 0.48 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.53 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jjj n ASP 113 N 0.00 5.15 -0.94 3.14 8.00 -1.26 -3.92 116.55 126.72 1jjj n ASP 113 Ca 0.00 -2.88 -0.12 0.00 0.71 0.00 0.00 54.79 52.50 1jjj n ASP 113 Cb 0.00 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 39.46 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 114 N 3.57 1.23 2.84 0.44 0.00 -1.26 -5.01 105.19 106.98 1jjj n GLY 114 Ca 0.54 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.94 0.28 -0.51 1.61 3.01 -1.25 -2.72 119.74 117.22 1jjj s LYS 115 Ca 0.00 0.05 -0.27 0.00 -1.01 0.00 0.00 55.97 54.73 1jjj s LYS 115 Cb 0.00 -0.43 0.03 0.00 -1.01 0.00 0.00 37.83 36.43 1jjj s LYS 115 CO 0.00 -0.10 1.08 -1.17 0.51 0.00 0.00 175.35 175.67 1jjj s LEU 116 N 0.81 3.73 -0.42 3.17 2.96 0.28 -1.11 118.68 128.12 1jjj s LEU 116 Ca -0.08 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 1jjj s LEU 116 Cb -0.11 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1jjj s LEU 116 CO -0.01 -1.26 0.44 -0.69 -1.32 0.00 0.00 176.35 173.50 1jjj s VAL 117 N 4.35 5.09 -0.50 1.68 1.01 -0.22 -1.51 120.40 130.29 1jjj s VAL 117 Ca 0.42 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1jjj s VAL 117 Cb -0.09 -4.04 0.12 0.00 0.00 0.00 0.00 36.38 32.38 1jjj s VAL 117 CO 0.27 -0.42 0.42 -0.69 0.00 0.00 0.00 175.10 174.68 1jjj s VAL 118 N 2.14 4.73 -0.45 2.92 1.01 -0.18 -1.63 120.40 128.94 1jjj s VAL 118 Ca 0.12 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 1jjj s VAL 118 Cb -0.17 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1jjj s VAL 118 CO 0.14 -0.81 0.51 -1.61 0.00 0.00 0.00 175.10 173.33 1jjj s GLU 119 N 1.49 3.12 -0.08 2.72 2.02 -0.21 -1.37 118.70 126.39 1jjj s GLU 119 Ca 0.04 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1jjj s GLU 119 Cb -0.28 -4.01 0.01 0.00 0.10 0.00 0.00 34.13 29.95 1jjj s GLU 119 CO 0.01 -0.99 -0.15 0.00 0.02 0.00 0.00 175.26 174.16 1jjj s VAL 121 N 0.64 0.06 0.00 0.00 0.11 -0.55 -0.74 120.40 119.93 1jjj s VAL 121 Ca -0.14 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1jjj s VAL 121 Cb -0.16 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1jjj s VAL 121 CO 0.04 -0.29 0.00 0.80 -3.33 0.00 0.00 175.10 172.32 1jjj n MET 122 N 2.11 0.00 -0.09 1.54 1.56 -1.21 -2.02 117.12 119.02 1jjj n MET 122 Ca -0.19 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.06 1jjj n MET 122 Cb 0.57 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.88 1jjj n MET 122 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1jjj n ASN 123 N 0.00 1.45 -0.01 6.12 5.03 -1.26 -4.67 115.26 121.93 1jjj n ASN 123 Ca 0.00 0.25 -0.01 0.00 0.87 0.00 0.00 54.58 55.69 1jjj n ASN 123 Cb 0.00 -0.59 -0.01 0.00 -1.02 0.00 0.00 39.78 38.17 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1jjj n ASN 124 N -3.95 3.97 -4.65 6.41 3.02 -1.26 -5.08 115.26 113.72 1jjj n ASN 124 Ca -0.32 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.81 1jjj n ASN 124 Cb 0.69 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.82 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jjj s VAL 125 N -2.02 4.94 -0.55 2.41 1.01 -1.26 -5.03 120.40 119.90 1jjj s VAL 125 Ca -0.01 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 1jjj s VAL 125 Cb 0.00 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1jjj s VAL 125 CO 0.03 0.03 0.70 0.42 0.00 0.00 0.00 175.10 176.27 1jjj s THR 126 N 2.33 4.78 0.53 3.92 -4.23 -1.26 -3.28 115.64 118.43 1jjj s THR 126 Ca 0.31 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 1jjj s THR 126 Cb -0.16 -4.40 -0.03 0.00 1.34 0.00 0.00 72.50 69.25 1jjj s THR 126 CO 0.09 -0.97 0.85 0.00 -0.54 0.00 0.00 174.62 174.06 1jjj s THR 128 N -2.88 -0.57 -0.06 0.00 2.01 -0.74 -1.83 115.64 111.56 1jjj s THR 128 Ca 0.50 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1jjj s THR 128 Cb -0.10 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1jjj s THR 128 CO 0.47 0.06 -0.17 0.00 -0.69 0.00 0.00 174.62 174.29 1jjj s ARG 129 N 2.55 2.01 -0.25 4.92 1.70 -0.47 -1.81 118.95 127.59 1jjj s ARG 129 Ca 0.01 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.63 1jjj s ARG 129 Cb -0.12 -1.65 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 1jjj s ARG 129 CO -0.12 0.15 -0.01 0.42 -1.08 0.00 0.00 175.30 174.66 1jjj s ILE 130 N 0.33 3.43 -0.12 4.99 -1.09 -0.10 -1.01 121.20 127.63 1jjj s ILE 130 Ca -0.11 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1jjj s ILE 130 Cb -0.14 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 1jjj s ILE 130 CO 0.04 0.27 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.54 1jjj s TYR 131 N 1.45 2.70 0.03 3.97 1.51 -0.57 -0.94 117.35 125.50 1jjj s TYR 131 Ca 0.04 -0.85 0.02 0.00 -1.01 0.00 0.00 57.07 55.27 1jjj s TYR 131 Cb -0.16 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1jjj s TYR 131 CO -0.02 -0.32 0.04 -1.83 -1.11 0.00 0.00 175.55 172.31 1jjj s GLU 132 N 0.38 2.84 -0.48 -0.62 -1.05 -0.04 -0.55 118.70 119.17 1jjj s GLU 132 Ca -0.14 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 53.77 1jjj s GLU 132 Cb -0.17 -2.71 -0.01 0.00 -0.44 0.00 0.00 34.13 30.81 1jjj s GLU 132 CO 0.07 0.60 1.64 0.21 0.95 0.00 0.00 175.26 178.73 1jjj s LYS 133 N -1.91 3.19 -0.96 -4.83 2.20 -1.10 -0.67 119.74 115.66 1jjj s LYS 133 Ca 0.24 0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 56.60 1jjj s LYS 133 Cb -0.12 -4.20 0.25 0.00 -1.51 0.00 0.00 37.83 32.25 1jjj s LYS 133 CO 0.15 -2.05 0.92 0.08 -0.36 0.00 0.00 175.35 174.09 1jjj s VAL 134 N 6.96 5.79 0.00 4.02 1.01 -0.15 -5.01 120.40 133.03 1jjj s VAL 134 Ca 0.66 -2.91 0.00 0.00 0.00 0.00 0.00 61.98 59.73 1jjj s VAL 134 Cb -0.15 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1jjj s VAL 134 CO 0.28 -1.10 0.00 -0.62 0.00 0.00 0.00 175.10 173.66