#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 -0.73 2.28 3.04 -1.99 -1.03 116.25 119.00 1jjj h VAL 4 Ca 0.00 -0.77 -0.03 0.00 -1.01 0.00 0.00 66.70 64.89 1jjj h VAL 4 Cb 0.00 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 1jjj h VAL 4 CO 0.00 0.24 0.33 -0.61 -1.01 0.00 0.00 177.57 176.52 1jjj h GLN 5 N 0.28 1.06 -0.64 4.17 -0.00 -2.01 -2.53 115.11 115.43 1jjj h GLN 5 Ca 0.06 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.65 58.49 1jjj h GLN 5 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.62 1jjj h GLN 5 CO 0.02 0.83 0.18 1.96 0.00 0.00 0.00 178.83 181.83 1jjj h GLN 6 N 1.05 0.99 -0.01 1.69 4.20 -1.87 -2.85 115.11 118.31 1jjj h GLN 6 Ca 0.25 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jjj h GLN 6 Cb 0.14 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1jjj h GLN 6 CO -0.03 0.86 0.01 -0.07 -0.67 0.00 0.00 178.83 178.93 1jjj h LEU 7 N 0.95 0.00 -8.76 1.46 3.38 -1.13 -3.45 115.31 107.76 1jjj h LEU 7 Ca 0.21 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.62 1jjj h LEU 7 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1jjj h LEU 7 CO -0.01 0.00 1.23 -0.70 0.09 0.00 0.00 178.44 179.06 1jjj s GLU 8 N -4.50 3.25 0.00 1.13 -6.30 -0.96 -4.53 118.70 106.79 1jjj s GLU 8 Ca -0.05 1.09 0.00 0.00 -2.50 0.00 0.00 54.97 53.51 1jjj s GLU 8 Cb 0.14 -4.19 0.00 0.00 0.00 0.00 0.00 34.13 30.08 1jjj s GLU 8 CO 0.51 -1.97 0.00 0.41 0.02 0.00 0.00 175.26 174.23 1jjj n GLY 9 N 5.39 -1.94 3.82 -1.50 0.00 -0.45 -5.03 105.19 105.48 1jjj n GLY 9 Ca 0.20 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.99 3.91 -0.11 1.61 3.52 -1.26 -1.68 118.95 122.94 1jjj s ARG 10 Ca 0.00 0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.84 1jjj s ARG 10 Cb 0.00 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1jjj s ARG 10 CO 0.00 0.61 0.02 -1.58 -0.81 0.00 0.00 175.30 173.53 1jjj s TRP 11 N -0.72 0.73 -0.13 5.12 0.52 -0.09 -0.18 118.94 124.18 1jjj s TRP 11 Ca 0.21 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.86 1jjj s TRP 11 Cb -0.15 -0.85 -0.05 0.00 -1.15 0.00 0.00 33.47 31.27 1jjj s TRP 11 CO 0.10 -0.41 0.24 0.50 0.02 0.00 0.00 176.95 177.40 1jjj s ARG 12 N 1.95 3.98 0.00 4.98 3.52 0.06 -0.27 118.95 133.18 1jjj s ARG 12 Ca 0.03 0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 1jjj s ARG 12 Cb -0.14 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1jjj s ARG 12 CO -0.06 0.46 1.55 -1.17 -0.81 0.00 0.00 175.30 175.27 1jjj s LEU 13 N -0.17 4.33 0.00 -0.88 2.96 -0.83 -1.24 118.68 122.86 1jjj s LEU 13 Ca 0.15 2.26 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 1jjj s LEU 13 Cb -0.13 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1jjj s LEU 13 CO 0.04 -0.83 -0.11 1.33 -1.32 0.00 0.00 176.35 175.46 1jjj n VAL 14 N 4.94 1.20 -4.08 1.68 0.24 -0.25 -4.63 118.33 117.43 1jjj n VAL 14 Ca 0.15 0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 62.46 1jjj n VAL 14 Cb 0.42 -1.79 -0.07 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 -5.84 5.40 -0.45 -1.34 2.15 -1.23 -4.99 116.67 110.37 1jjj s ASP 15 Ca -0.09 -0.09 0.07 0.00 0.43 0.00 0.00 52.55 52.87 1jjj s ASP 15 Cb 0.01 -1.40 0.28 0.00 -0.30 0.00 0.00 42.92 41.51 1jjj s ASP 15 CO 0.14 0.14 0.88 -0.24 -0.17 0.00 0.00 175.17 175.92 1jjj n SER 16 N 0.24 -1.77 -4.75 -0.34 2.88 -1.26 -0.78 113.62 107.84 1jjj n SER 16 Ca -0.09 -3.30 -0.41 0.00 -1.33 0.00 0.00 58.87 53.74 1jjj n SER 16 Cb 0.53 1.16 -0.02 0.00 -0.75 0.00 0.00 64.21 65.13 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1jjj s LYS 17 N -0.13 4.33 0.00 -1.46 0.00 -1.08 -3.48 119.74 117.92 1jjj s LYS 17 Ca 0.30 2.20 0.00 0.00 0.00 0.00 0.00 55.97 58.48 1jjj s LYS 17 Cb 0.25 -3.13 0.00 0.00 0.00 0.00 0.00 37.83 34.96 1jjj s LYS 17 CO -0.14 -0.31 0.00 0.41 0.00 0.00 0.00 175.35 175.31 1jjj n GLY 18 N 1.89 0.51 0.20 0.59 0.00 -1.26 -2.23 105.19 104.90 1jjj n GLY 18 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.46 -0.23 1.61 3.57 -1.81 -2.15 116.94 118.39 1jjj h PHE 19 Ca 0.00 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.42 1jjj h PHE 19 Cb 0.11 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 1jjj h PHE 19 CO 0.07 0.78 -0.33 0.22 -2.23 0.00 0.00 178.31 176.82 1jjj h ASP 20 N 0.30 -1.04 -0.26 0.41 3.58 -1.92 -0.83 116.42 116.66 1jjj h ASP 20 Ca 0.02 0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.68 1jjj h ASP 20 Cb 0.95 0.46 -0.04 0.00 1.72 0.00 0.00 39.33 42.41 1jjj h ASP 20 CO 0.08 -0.35 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.74 1jjj h GLU 21 N -0.35 0.04 -0.30 0.28 5.08 -1.95 -2.20 114.58 115.18 1jjj h GLU 21 Ca 0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1jjj h GLU 21 Cb 0.54 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1jjj h GLU 21 CO -0.42 0.03 0.09 -0.92 -1.00 0.00 0.00 179.01 176.79 1jjj h TYR 22 N 0.05 0.17 -0.56 4.33 3.20 -1.31 -1.46 116.97 121.39 1jjj h TYR 22 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1jjj h TYR 22 Cb 0.18 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1jjj h TYR 22 CO -0.23 0.07 0.37 0.52 -1.64 0.00 0.00 178.16 177.25 1jjj h MET 23 N 0.22 0.68 -0.14 1.82 2.86 -1.15 -1.07 114.93 118.15 1jjj h MET 23 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1jjj h MET 23 Cb 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1jjj h MET 23 CO -0.15 0.45 0.04 0.87 1.06 0.00 0.00 176.91 179.19 1jjj h LYS 24 N 0.70 0.23 -0.50 1.72 1.57 -1.11 -1.00 116.57 118.18 1jjj h LYS 24 Ca 0.21 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1jjj h LYS 24 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1jjj h LYS 24 CO -0.05 0.36 -0.04 1.49 -0.57 0.00 0.00 179.45 180.64 1jjj h GLU 25 N 0.05 0.87 -0.83 3.15 4.57 -1.18 -2.78 114.58 118.43 1jjj h GLU 25 Ca 0.05 -0.27 0.13 0.00 -1.18 0.00 0.00 59.36 58.09 1jjj h GLU 25 Cb 0.23 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.65 1jjj h GLU 25 CO -0.00 0.89 0.43 -0.07 -1.18 0.00 0.00 179.01 179.08 1jjj h LEU 26 N 0.79 0.55 -0.20 1.64 3.38 -1.29 -3.49 115.31 116.69 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 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jjj h LEU 26 CO 0.03 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1jjj n GLY 27 N -1.32 0.66 3.78 0.83 0.00 -0.84 -5.09 105.19 103.20 1jjj n GLY 27 Ca 0.16 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.53 5.18 0.70 1.61 1.01 -0.44 -5.04 120.40 121.88 1jjj s VAL 28 Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1jjj s VAL 28 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1jjj s VAL 28 CO 0.00 0.47 1.18 -0.83 0.00 0.00 0.00 175.10 175.91 1jjj s GLY 29 N -0.23 2.31 0.16 4.51 0.00 -1.26 -4.70 107.32 108.11 1jjj s GLY 29 Ca 0.22 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.56 1jjj s GLY 29 CO 0.09 1.17 1.73 0.16 0.00 0.00 0.00 173.10 176.25 1jjj h ILE 30 N -0.10 0.81 -0.62 0.90 3.07 -1.99 0.13 117.51 119.70 1jjj h ILE 30 Ca -0.48 -0.06 -0.00 0.00 1.55 0.00 0.00 64.86 65.87 1jjj h ILE 30 Cb 1.28 0.61 -0.03 0.00 -0.27 0.00 0.00 36.82 38.41 1jjj h ILE 30 CO 0.51 0.03 0.39 0.00 -1.05 0.00 0.00 178.15 178.04 1jjj h ALA 31 N 1.27 0.79 -0.80 0.16 0.00 -1.99 -1.59 119.26 117.11 1jjj h ALA 31 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jjj h ALA 31 Cb 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jjj h ALA 31 CO -0.23 0.26 0.31 -0.07 0.00 0.00 0.00 179.25 179.51 1jjj h LEU 32 N 0.84 1.11 -0.21 0.00 3.38 -1.83 -0.07 115.31 118.53 1jjj h LEU 32 Ca 0.22 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1jjj h LEU 32 Cb -0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1jjj h LEU 32 CO -0.04 0.99 -0.08 0.03 0.09 0.00 0.00 178.44 179.43 1jjj h ARG 33 N 1.17 -0.03 -0.35 1.13 3.08 -0.76 -0.77 114.38 117.85 1jjj h ARG 33 Ca 0.26 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.36 1jjj h ARG 33 Cb 0.23 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1jjj h ARG 33 CO -0.02 -0.02 0.12 -0.22 -1.07 0.00 0.00 179.97 178.76 1jjj h LYS 34 N -0.03 0.26 0.38 0.04 3.64 -1.13 -2.18 116.57 117.54 1jjj h LYS 34 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jjj h LYS 34 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1jjj h LYS 34 CO -0.24 0.17 -0.28 0.52 -2.27 0.00 0.00 179.45 177.36 1jjj h MET 35 N 0.27 -0.63 -0.79 1.90 2.86 -1.02 -3.22 114.93 114.29 1jjj h MET 35 Ca 0.16 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 1jjj h MET 35 Cb 0.13 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1jjj h MET 35 CO -0.16 -0.42 0.52 0.78 1.06 0.00 0.00 176.91 178.69 1jjj h GLY 36 N -0.65 1.08 0.76 8.32 0.00 -1.13 -2.71 103.07 108.74 1jjj h GLY 36 Ca -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1jjj h GLY 36 CO 0.01 0.22 -0.16 0.00 0.00 0.00 0.00 176.54 176.61 1jjj h ALA 37 N 1.58 -0.45 0.00 3.60 0.00 -1.48 -3.40 119.26 119.11 1jjj h ALA 37 Ca 0.35 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1jjj h ALA 37 Cb 0.32 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jjj h ALA 37 CO -0.13 -0.63 -1.11 0.00 0.00 0.00 0.00 179.25 177.38 1jjj h MET 38 N -0.70 0.00 -0.27 0.00 -0.00 -1.59 -3.42 114.93 108.95 1jjj h MET 38 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1jjj h MET 38 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.07 1jjj h MET 38 CO 0.08 0.45 0.09 0.00 -0.00 0.00 0.00 176.91 177.53 1jjj h ALA 39 N 1.36 1.65 -5.00 -3.00 0.00 -1.69 -3.49 119.26 109.10 1jjj h ALA 39 Ca -0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1jjj h ALA 39 Cb 1.58 -0.12 0.06 0.00 0.00 0.00 0.00 17.79 19.31 1jjj h ALA 39 CO 0.06 0.27 -0.26 1.63 0.00 0.00 0.00 179.25 180.96 1jjj n LYS 40 N -4.41 -1.38 -2.43 0.00 5.02 -1.26 -4.57 118.16 109.13 1jjj n LYS 40 Ca 0.01 1.12 -0.38 0.00 -2.02 0.00 0.00 58.31 57.04 1jjj n LYS 40 Cb 0.14 -5.08 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 1jjj n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jjj s PRO 41 N -3.42 4.24 -0.64 1.97 0.04 -1.26 -4.43 135.00 131.50 1jjj s PRO 41 Ca 0.14 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 1jjj s PRO 41 Cb -0.02 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 31.82 1jjj s PRO 41 CO 0.62 -0.12 1.00 -0.51 0.04 0.00 0.00 177.00 178.04 1jjj s ASP 42 N -1.23 6.21 -0.32 6.66 1.01 0.42 -1.96 116.67 127.46 1jjj s ASP 42 Ca 0.54 -0.74 -0.19 0.00 0.71 0.00 0.00 52.55 52.87 1jjj s ASP 42 Cb -0.28 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 1jjj s ASP 42 CO 0.35 -1.45 0.56 0.00 0.21 0.00 0.00 175.17 174.85 1jjj s ILE 44 N 2.48 5.05 -0.28 0.00 1.09 0.03 -0.92 121.20 128.67 1jjj s ILE 44 Ca 0.22 0.88 -0.08 0.00 -1.10 0.00 0.00 60.65 60.56 1jjj s ILE 44 Cb -0.15 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1jjj s ILE 44 CO 0.12 0.06 0.10 -0.63 -0.10 0.00 0.00 174.94 174.49 1jjj s ILE 45 N 2.34 4.35 -0.03 2.92 1.01 -0.68 -1.45 121.20 129.66 1jjj s ILE 45 Ca 0.22 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1jjj s ILE 45 Cb -0.16 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1jjj s ILE 45 CO 0.09 0.20 -0.01 -0.89 0.00 0.00 0.00 174.94 174.33 1jjj s THR 46 N 1.60 0.28 -0.11 2.92 2.01 -0.90 -1.34 115.64 120.10 1jjj s THR 46 Ca 0.05 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1jjj s THR 46 Cb -0.16 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1jjj s THR 46 CO 0.04 0.16 0.02 0.00 -0.69 0.00 0.00 174.62 174.15 1jjj s ASP 48 N -0.58 3.20 0.62 0.00 2.15 0.25 -5.02 116.67 117.29 1jjj s ASP 48 Ca 0.10 -2.82 0.00 0.00 0.43 0.00 0.00 52.55 50.26 1jjj s ASP 48 Cb -0.12 -0.88 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 1jjj s ASP 48 CO 0.02 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1jjj n GLY 49 N 3.25 0.89 0.11 2.66 0.00 -1.26 -1.50 105.19 109.34 1jjj n GLY 49 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1jjj n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj h LYS 50 N 0.00 0.00 -6.34 1.61 1.57 -1.98 -3.48 116.57 107.95 1jjj h LYS 50 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1jjj h LYS 50 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1jjj h LYS 50 CO 0.00 0.44 0.09 -0.80 -0.57 0.00 0.00 179.45 178.61 1jjj s ASN 51 N -6.14 7.21 -0.16 0.86 -0.87 -0.56 -1.18 114.94 114.09 1jjj s ASN 51 Ca 0.00 1.44 -0.02 0.00 -1.57 0.00 0.00 52.86 52.71 1jjj s ASN 51 Cb 0.08 -2.44 0.05 0.00 -0.02 0.00 0.00 41.25 38.93 1jjj s ASN 51 CO 0.79 0.17 0.01 -0.22 -2.57 0.00 0.00 177.10 175.28 1jjj s LEU 52 N -0.78 1.16 -0.26 0.60 2.96 0.03 -0.58 118.68 121.81 1jjj s LEU 52 Ca 0.34 -0.65 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 1jjj s LEU 52 Cb -0.21 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 1jjj s LEU 52 CO 0.22 -0.26 0.73 -0.89 -1.32 0.00 0.00 176.35 174.84 1jjj s THR 53 N 1.84 4.90 -0.45 3.68 2.01 -0.00 -1.40 115.64 126.21 1jjj s THR 53 Ca 0.00 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 1jjj s THR 53 Cb -0.16 -4.04 0.12 0.00 0.01 0.00 0.00 72.50 68.43 1jjj s THR 53 CO -0.07 -0.06 0.27 -0.63 -0.69 0.00 0.00 174.62 173.44 1jjj s ILE 54 N 2.71 3.57 -0.36 1.82 -1.09 -0.06 -2.11 121.20 125.69 1jjj s ILE 54 Ca 0.31 -2.11 -0.04 0.00 -2.23 0.00 0.00 60.65 56.58 1jjj s ILE 54 Cb -0.15 -3.41 0.07 0.00 -1.58 0.00 0.00 42.46 37.39 1jjj s ILE 54 CO 0.09 -0.74 0.11 -0.75 -1.23 0.00 0.00 174.94 172.42 1jjj s LYS 55 N 1.03 2.32 -0.59 2.79 2.20 -0.53 -1.04 119.74 125.93 1jjj s LYS 55 Ca 0.09 -1.47 -0.20 0.00 -0.36 0.00 0.00 55.97 54.03 1jjj s LYS 55 Cb -0.23 -3.43 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 1jjj s LYS 55 CO -0.03 -0.82 0.75 0.99 -0.36 0.00 0.00 175.35 175.87 1jjj s THR 56 N 1.25 4.72 -0.22 3.43 2.01 -0.01 -0.79 115.64 126.04 1jjj s THR 56 Ca 0.01 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 1jjj s THR 56 Cb -0.21 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 1jjj s THR 56 CO -0.01 -1.13 0.23 -1.61 -0.69 0.00 0.00 174.62 171.41 1jjj s GLU 57 N 2.98 4.11 0.09 4.92 2.02 -0.11 -1.31 118.70 131.40 1jjj s GLU 57 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1jjj s GLU 57 Cb -0.21 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 1jjj s GLU 57 CO 0.08 0.05 -0.04 0.45 0.02 0.00 0.00 175.26 175.83 1jjj s SER 58 N 1.00 0.83 0.12 -0.19 0.15 -1.26 -0.44 113.70 113.91 1jjj s SER 58 Ca 0.11 -1.03 -0.20 0.00 0.70 0.00 0.00 55.95 55.53 1jjj s SER 58 Cb -0.14 0.15 -0.08 0.00 -1.71 0.00 0.00 66.02 64.25 1jjj s SER 58 CO 0.05 -0.55 1.77 0.71 1.20 0.00 0.00 173.24 176.43 1jjj h THR 59 N 3.00 1.04 0.03 6.45 1.35 -1.90 -3.40 112.91 119.48 1jjj h THR 59 Ca -0.35 -0.08 -0.38 0.00 -0.55 0.00 0.00 66.41 65.05 1jjj h THR 59 Cb 1.16 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 68.31 1jjj h THR 59 CO 0.65 0.04 -2.32 0.18 -0.25 0.00 0.00 175.52 173.82 1jjj n LEU 60 N -4.97 2.58 -3.44 3.87 4.77 -1.26 -4.95 117.00 113.60 1jjj n LEU 60 Ca -0.04 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 1jjj n LEU 60 Cb 0.03 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1jjj n LEU 60 CO 0.34 0.86 -0.18 -0.75 -1.33 0.00 0.00 177.39 176.33 1jjj s LYS 61 N -2.53 0.27 0.17 3.23 2.47 -1.26 -5.07 119.74 117.01 1jjj s LYS 61 Ca -0.29 0.07 -0.21 0.00 -1.56 0.00 0.00 55.97 53.98 1jjj s LYS 61 Cb 0.08 -0.89 -0.08 0.00 -1.46 0.00 0.00 37.83 35.48 1jjj s LYS 61 CO 0.67 -0.83 0.70 0.99 0.16 0.00 0.00 175.35 177.04 1jjj s THR 62 N 2.36 4.56 -0.18 3.43 2.01 -1.26 -4.35 115.64 122.21 1jjj s THR 62 Ca 0.09 1.36 -0.24 0.00 0.31 0.00 0.00 61.69 63.20 1jjj s THR 62 Cb -0.15 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.49 1jjj s THR 62 CO -0.22 0.36 0.63 -0.89 -0.69 0.00 0.00 174.62 173.81 1jjj s THR 63 N -1.34 0.00 0.08 -0.82 2.01 -0.43 -5.00 115.64 110.15 1jjj s THR 63 Ca 0.38 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.38 1jjj s THR 63 Cb -0.19 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1jjj s THR 63 CO 0.22 -0.02 -0.09 0.00 -0.69 0.00 0.00 174.62 174.05 1jjj s GLN 64 N -0.14 0.75 -0.12 4.92 1.03 -1.26 -0.83 119.66 124.01 1jjj s GLN 64 Ca -0.04 -1.08 -0.14 0.00 0.04 0.00 0.00 55.36 54.15 1jjj s GLN 64 Cb -0.03 -0.39 0.04 0.00 0.03 0.00 0.00 33.01 32.65 1jjj s GLN 64 CO 0.03 0.05 0.38 -0.59 -2.54 0.00 0.00 175.29 172.62 1jjj s PHE 65 N -2.39 -0.38 -0.47 9.60 -0.12 -0.20 -4.92 117.98 119.10 1jjj s PHE 65 Ca 0.02 0.89 -0.15 0.00 -0.05 0.00 0.00 56.93 57.64 1jjj s PHE 65 Cb -0.03 0.14 0.07 0.00 -0.63 0.00 0.00 43.02 42.57 1jjj s PHE 65 CO -0.01 -0.25 0.39 -1.54 -0.05 0.00 0.00 175.22 173.76 1jjj s SER 66 N -0.12 6.13 0.44 1.98 1.04 -1.26 -0.88 113.70 121.03 1jjj s SER 66 Ca -0.03 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.08 1jjj s SER 66 Cb -0.03 -2.18 -0.00 0.00 0.10 0.00 0.00 66.02 63.91 1jjj s SER 66 CO 0.01 -0.64 0.65 0.00 0.98 0.00 0.00 173.24 174.25 1jjj s THR 68 N -2.52 0.95 -0.36 0.00 2.01 -1.26 -0.79 115.64 113.67 1jjj s THR 68 Ca 0.48 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1jjj s THR 68 Cb -0.10 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1jjj s THR 68 CO 0.37 0.32 1.43 -0.76 -0.69 0.00 0.00 174.62 175.30 1jjj s LEU 69 N 0.88 3.68 0.00 4.42 2.01 -0.32 -2.74 118.68 126.61 1jjj s LEU 69 Ca -0.11 1.03 0.00 0.00 0.01 0.00 0.00 54.13 55.06 1jjj s LEU 69 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1jjj s LEU 69 CO 0.01 -1.35 0.00 0.61 1.01 0.00 0.00 176.35 176.63 1jjj n GLY 70 N 4.88 2.77 3.92 -3.19 0.00 0.21 -4.97 105.19 108.81 1jjj n GLY 70 Ca 0.17 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.27 -0.14 1.61 8.01 -1.11 -4.75 118.70 125.59 1jjj s GLU 71 Ca 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 54.97 54.85 1jjj s GLU 71 Cb 0.00 -2.44 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1jjj s GLU 71 CO 0.00 -0.29 0.00 0.21 0.01 0.00 0.00 175.26 175.19 1jjj s LYS 72 N -4.70 3.56 0.07 1.61 2.20 -1.26 -2.67 119.74 118.56 1jjj s LYS 72 Ca 0.48 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1jjj s LYS 72 Cb -0.10 -2.96 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1jjj s LYS 72 CO 0.42 0.39 0.07 -0.59 -0.36 0.00 0.00 175.35 175.27 1jjj s PHE 73 N -0.00 0.39 -0.27 4.03 -0.71 -0.60 -4.94 117.98 115.88 1jjj s PHE 73 Ca 0.03 -0.88 -0.29 0.00 -1.04 0.00 0.00 56.93 54.75 1jjj s PHE 73 Cb -0.13 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1jjj s PHE 73 CO 0.02 -0.46 1.57 -1.21 -1.34 0.00 0.00 175.22 173.80 1jjj s GLU 74 N -3.90 3.71 -0.63 1.99 8.01 -1.26 -1.32 118.70 125.29 1jjj s GLU 74 Ca 0.07 1.47 -0.13 0.00 0.01 0.00 0.00 54.97 56.39 1jjj s GLU 74 Cb 0.07 -4.04 0.16 0.00 -4.31 0.00 0.00 34.13 26.01 1jjj s GLU 74 CO -0.10 -1.39 0.56 -2.00 0.01 0.00 0.00 175.26 172.34 1jjj s GLU 75 N 4.79 3.08 -0.93 1.61 2.12 -0.31 -4.91 118.70 124.15 1jjj s GLU 75 Ca 0.69 -2.05 -0.24 0.00 0.36 0.00 0.00 54.97 53.73 1jjj s GLU 75 Cb -0.22 -4.23 0.02 0.00 0.26 0.00 0.00 34.13 29.96 1jjj s GLU 75 CO 0.29 -1.28 1.57 0.99 -0.54 0.00 0.00 175.26 176.29 1jjj s THR 76 N 0.93 3.75 0.53 -1.70 2.01 -1.26 -2.07 115.64 117.82 1jjj s THR 76 Ca 0.10 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1jjj s THR 76 Cb -0.22 -4.72 -0.06 0.00 0.01 0.00 0.00 72.50 67.51 1jjj s THR 76 CO -0.02 -1.63 1.19 0.42 -0.69 0.00 0.00 174.62 173.89 1jjj s THR 77 N 6.54 2.86 0.35 -0.82 -4.23 -0.38 -4.92 115.64 115.05 1jjj s THR 77 Ca 0.51 0.59 0.16 0.00 -1.18 0.00 0.00 61.69 61.77 1jjj s THR 77 Cb -0.04 -3.27 0.34 0.00 1.34 0.00 0.00 72.50 70.88 1jjj s THR 77 CO -0.02 -0.07 1.67 0.00 -0.54 0.00 0.00 174.62 175.66 1jjj h ALA 78 N 1.45 2.02 0.00 3.99 0.00 -1.94 -1.51 119.26 123.27 1jjj h ALA 78 Ca -0.50 0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 1jjj h ALA 78 Cb 1.27 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1jjj h ALA 78 CO 0.58 -0.61 -0.91 0.22 0.00 0.00 0.00 179.25 178.53 1jjj h ASP 79 N 0.33 0.39 0.00 0.00 3.58 -1.98 -3.49 116.42 115.25 1jjj h ASP 79 Ca 0.73 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1jjj h ASP 79 Cb 1.70 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1jjj h ASP 79 CO -0.56 1.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.52 1jjj n GLY 80 N 0.90 0.51 3.66 -0.78 0.00 -0.57 -4.98 105.19 103.93 1jjj n GLY 80 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.20 -0.78 1.61 0.52 -1.26 -4.77 118.95 118.47 1jjj s ARG 81 Ca 0.00 1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 56.82 1jjj s ARG 81 Cb 0.00 -3.84 0.12 0.00 0.52 0.00 0.00 34.95 31.75 1jjj s ARG 81 CO 0.00 -0.78 0.97 -1.59 0.02 0.00 0.00 175.30 173.93 1jjj s LYS 82 N 3.71 3.36 0.28 3.54 0.00 -1.26 -1.24 119.74 128.13 1jjj s LYS 82 Ca 0.61 -1.49 -0.14 0.00 0.00 0.00 0.00 55.97 54.95 1jjj s LYS 82 Cb -0.25 -4.57 -0.08 0.00 0.00 0.00 0.00 37.83 32.92 1jjj s LYS 82 CO 0.20 -1.70 0.67 0.95 0.00 0.00 0.00 175.35 175.47 1jjj s THR 83 N 2.85 4.75 -1.08 3.79 -4.23 -0.88 -4.73 115.64 116.11 1jjj s THR 83 Ca 0.25 0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 61.37 1jjj s THR 83 Cb -0.12 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1jjj s THR 83 CO -0.01 -0.12 1.47 -1.10 -0.54 0.00 0.00 174.62 174.32 1jjj s GLN 84 N -2.85 3.71 -0.30 3.99 -1.52 -0.17 -1.17 119.66 121.36 1jjj s GLN 84 Ca 0.51 -1.50 -0.22 0.00 -1.95 0.00 0.00 55.36 52.20 1jjj s GLN 84 Cb -0.11 -5.32 -0.01 0.00 -0.22 0.00 0.00 33.01 27.36 1jjj s GLN 84 CO 0.19 -2.13 0.69 0.99 -0.25 0.00 0.00 175.29 174.78 1jjj s THR 85 N 4.27 4.88 -0.29 -0.19 2.01 -0.44 -1.93 115.64 123.95 1jjj s THR 85 Ca 0.46 1.00 -0.21 0.00 0.31 0.00 0.00 61.69 63.24 1jjj s THR 85 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1jjj s THR 85 CO -0.05 -0.18 0.68 0.54 -0.69 0.00 0.00 174.62 174.92 1jjj s VAL 86 N 2.75 4.91 -0.11 3.82 0.11 -0.71 -1.56 120.40 129.61 1jjj s VAL 86 Ca 0.28 1.04 -0.13 0.00 -2.93 0.00 0.00 61.98 60.24 1jjj s VAL 86 Cb -0.15 -4.03 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 1jjj s VAL 86 CO 0.12 -0.12 0.29 0.00 -3.33 0.00 0.00 175.10 172.06 1jjj s ASN 88 N -0.31 0.12 -0.17 0.00 -0.87 -0.69 -0.62 114.94 112.41 1jjj s ASN 88 Ca 0.18 0.68 -0.26 0.00 -1.57 0.00 0.00 52.86 51.88 1jjj s ASN 88 Cb -0.14 0.79 -0.01 0.00 -0.02 0.00 0.00 41.25 41.87 1jjj s ASN 88 CO 0.07 -0.23 0.88 0.12 -2.57 0.00 0.00 177.10 175.37 1jjj s PHE 89 N 2.27 3.42 -0.20 2.20 5.36 -1.26 -0.85 117.98 128.92 1jjj s PHE 89 Ca -0.01 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 1jjj s PHE 89 Cb -0.12 -3.07 0.06 0.00 -0.34 0.00 0.00 43.02 39.55 1jjj s PHE 89 CO -0.10 -0.27 0.02 -0.08 -1.46 0.00 0.00 175.22 173.34 1jjj s THR 90 N 2.27 0.66 -0.90 0.12 -1.32 0.12 -4.99 115.64 111.59 1jjj s THR 90 Ca 0.40 -0.63 -0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1jjj s THR 90 Cb -0.17 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 1jjj s THR 90 CO 0.12 -0.18 0.78 0.47 -2.21 0.00 0.00 174.62 173.60 1jjj n ASP 91 N 5.00 -4.36 0.00 8.08 9.92 -1.26 -1.46 116.55 132.46 1jjj n ASP 91 Ca -0.09 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1jjj n ASP 91 Cb 0.47 -4.32 0.00 0.00 -0.64 0.00 0.00 41.12 36.63 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 -1.21 2.97 3.27 0.44 0.00 -1.26 -4.93 105.19 104.47 1jjj n GLY 92 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.77 2.18 -0.38 4.61 0.00 -0.54 -3.79 121.76 122.07 1jjj s ALA 93 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 1jjj s ALA 93 Cb 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1jjj s ALA 93 CO 0.00 0.41 1.00 -1.17 0.00 0.00 0.00 175.76 176.00 1jjj s LEU 94 N -0.14 3.91 -0.52 0.00 2.96 -0.30 -0.70 118.68 123.89 1jjj s LEU 94 Ca -0.04 0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 54.28 1jjj s LEU 94 Cb -0.14 -3.38 0.04 0.00 0.50 0.00 0.00 46.19 43.21 1jjj s LEU 94 CO 0.04 -0.95 0.82 -0.69 -1.32 0.00 0.00 176.35 174.25 1jjj s VAL 95 N 3.73 4.58 -0.55 1.68 1.01 -0.03 -1.17 120.40 129.64 1jjj s VAL 95 Ca 0.42 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 1jjj s VAL 95 Cb -0.11 -4.42 0.14 0.00 0.00 0.00 0.00 36.38 31.98 1jjj s VAL 95 CO 0.21 -0.94 0.49 -1.58 0.00 0.00 0.00 175.10 173.28 1jjj s GLN 96 N 3.45 2.91 -0.65 2.72 0.74 -0.27 -1.70 119.66 126.86 1jjj s GLN 96 Ca 0.26 -1.82 -0.16 0.00 0.05 0.00 0.00 55.36 53.69 1jjj s GLN 96 Cb -0.14 -4.21 0.16 0.00 1.10 0.00 0.00 33.01 29.92 1jjj s GLN 96 CO 0.18 -1.29 0.63 -1.58 -0.55 0.00 0.00 175.29 172.68 1jjj s HIS 97 N 1.35 3.40 -0.06 1.67 2.46 -0.62 -1.17 115.29 122.31 1jjj s HIS 97 Ca 0.06 -1.50 -0.26 0.00 0.47 0.00 0.00 55.06 53.82 1jjj s HIS 97 Cb -0.27 -3.84 -0.03 0.00 -0.13 0.00 0.00 32.58 28.31 1jjj s HIS 97 CO 0.01 -1.05 0.84 -0.65 -2.47 0.00 0.00 174.74 171.42 1jjj s GLN 98 N 1.24 4.45 -0.09 2.88 -0.21 0.03 -1.73 119.66 126.24 1jjj s GLN 98 Ca 0.10 1.13 0.00 0.00 0.02 0.00 0.00 55.36 56.61 1jjj s GLN 98 Cb -0.22 -3.48 0.02 0.00 1.00 0.00 0.00 33.01 30.33 1jjj s GLN 98 CO -0.01 -0.07 -0.08 -1.21 -2.12 0.00 0.00 175.29 171.80 1jjj s GLU 99 N 1.20 1.43 -0.26 2.91 2.02 -0.81 -1.35 118.70 123.83 1jjj s GLU 99 Ca 0.44 -0.25 -0.08 0.00 0.02 0.00 0.00 54.97 55.09 1jjj s GLU 99 Cb -0.19 -1.40 0.12 0.00 0.10 0.00 0.00 34.13 32.76 1jjj s GLU 99 CO 0.21 -0.16 0.55 1.67 0.02 0.00 0.00 175.26 177.54 1jjj s TRP 100 N 1.34 -1.12 -0.92 1.61 -2.14 -0.32 -1.00 118.94 116.40 1jjj s TRP 100 Ca -0.02 1.96 -0.21 0.00 2.66 0.00 0.00 56.10 60.48 1jjj s TRP 100 Cb -0.14 0.58 0.03 0.00 -3.10 0.00 0.00 33.47 30.84 1jjj s TRP 100 CO -0.04 -0.60 0.40 -3.47 -2.66 0.00 0.00 176.95 170.58 1jjj n ASP 101 N 5.42 -2.26 0.00 -2.66 2.03 -1.26 -1.54 116.55 116.28 1jjj n ASP 101 Ca -0.10 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1jjj n ASP 101 Cb 0.49 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 102 N -1.85 2.62 3.76 0.27 0.00 -1.26 -5.05 105.19 103.68 1jjj n GLY 102 Ca -0.11 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 4.77 0.05 1.61 1.02 -0.59 -5.10 119.74 121.49 1jjj s LYS 103 Ca 0.00 1.41 0.04 0.00 0.02 0.00 0.00 55.97 57.44 1jjj s LYS 103 Cb 0.00 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1jjj s LYS 103 CO 0.00 0.48 -0.11 -1.83 -0.92 0.00 0.00 175.35 172.97 1jjj s GLU 104 N -1.36 0.68 -0.01 1.68 -1.05 -1.26 -1.17 118.70 116.20 1jjj s GLU 104 Ca 0.42 -0.77 0.03 0.00 -0.15 0.00 0.00 54.97 54.50 1jjj s GLU 104 Cb -0.24 -0.58 -0.00 0.00 -0.44 0.00 0.00 34.13 32.86 1jjj s GLU 104 CO 0.30 0.13 -0.10 0.45 0.95 0.00 0.00 175.26 176.98 1jjj s SER 105 N -1.42 1.23 -0.47 0.83 0.15 -0.46 -4.56 113.70 108.99 1jjj s SER 105 Ca -0.04 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 1jjj s SER 105 Cb -0.09 -0.20 0.12 0.00 -1.71 0.00 0.00 66.02 64.14 1jjj s SER 105 CO 0.01 0.11 0.28 0.42 1.20 0.00 0.00 173.24 175.26 1jjj s THR 106 N -0.11 3.56 -0.41 6.45 -4.23 -0.25 -0.79 115.64 119.87 1jjj s THR 106 Ca 0.02 -2.18 -0.19 0.00 -1.18 0.00 0.00 61.69 58.15 1jjj s THR 106 Cb -0.05 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1jjj s THR 106 CO -0.00 -0.75 0.55 -0.63 -0.54 0.00 0.00 174.62 173.26 1jjj s ILE 107 N 0.94 4.95 -0.48 2.99 1.09 -0.32 -2.20 121.20 128.17 1jjj s ILE 107 Ca 0.10 0.02 -0.14 0.00 -1.10 0.00 0.00 60.65 59.53 1jjj s ILE 107 Cb -0.23 -4.10 0.09 0.00 -1.06 0.00 0.00 42.46 37.16 1jjj s ILE 107 CO -0.03 -0.46 0.39 -0.89 -0.10 0.00 0.00 174.94 173.84 1jjj s THR 108 N 2.52 4.97 -0.56 2.92 2.01 -0.13 -1.11 115.64 126.26 1jjj s THR 108 Ca 0.19 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 1jjj s THR 108 Cb -0.15 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.40 1jjj s THR 108 CO 0.16 -0.65 0.65 -0.13 -0.69 0.00 0.00 174.62 173.96 1jjj s ARG 109 N 1.57 3.05 0.11 4.92 0.52 -0.32 -1.01 118.95 127.80 1jjj s ARG 109 Ca 0.04 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.03 1jjj s ARG 109 Cb -0.25 -4.22 -0.04 0.00 0.52 0.00 0.00 34.95 30.96 1jjj s ARG 109 CO 0.04 -1.42 -0.10 -1.59 0.02 0.00 0.00 175.30 172.26 1jjj s LYS 110 N 2.51 0.90 -0.13 3.54 -2.85 -0.95 -1.16 119.74 121.60 1jjj s LYS 110 Ca 0.11 -1.25 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 1jjj s LYS 110 Cb -0.24 -0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 35.00 1jjj s LYS 110 CO 0.07 0.07 1.11 -0.51 0.10 0.00 0.00 175.35 176.20 1jjj s LEU 111 N -2.68 4.21 -0.25 2.77 2.01 -1.25 -0.74 118.68 122.75 1jjj s LEU 111 Ca 0.09 1.60 -0.01 0.00 0.01 0.00 0.00 54.13 55.82 1jjj s LEU 111 Cb -0.01 -3.55 0.03 0.00 0.01 0.00 0.00 46.19 42.68 1jjj s LEU 111 CO -0.00 -0.59 -0.07 -0.54 1.01 0.00 0.00 176.35 176.16 1jjj s LYS 112 N 2.59 2.72 -1.22 1.70 3.01 -0.47 -4.93 119.74 123.15 1jjj s LYS 112 Ca 0.51 -1.05 -0.01 0.00 -1.01 0.00 0.00 55.97 54.40 1jjj s LYS 112 Cb -0.20 -2.97 -0.01 0.00 -1.01 0.00 0.00 37.83 33.65 1jjj s LYS 112 CO 0.16 -0.44 0.89 -0.25 0.51 0.00 0.00 175.35 176.22 1jjj n ASP 113 N 4.63 -2.26 0.00 2.83 8.00 -1.26 -2.09 116.55 126.40 1jjj n ASP 113 Ca -0.16 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1jjj n ASP 113 Cb 0.46 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 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 -1.29 2.90 3.79 0.44 0.00 -1.26 -5.04 105.19 104.73 1jjj n GLY 114 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1jjj n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jjj s LYS 115 N -0.05 3.22 0.15 1.61 2.47 -0.89 -4.86 119.74 121.39 1jjj s LYS 115 Ca 0.00 -0.26 -0.30 0.00 -1.56 0.00 0.00 55.97 53.85 1jjj s LYS 115 Cb 0.00 -3.00 -0.07 0.00 -1.46 0.00 0.00 37.83 33.30 1jjj s LYS 115 CO 0.00 0.74 1.10 -1.17 0.16 0.00 0.00 175.35 176.18 1jjj s LEU 116 N -0.97 4.47 -0.25 5.43 2.96 -0.97 -1.37 118.68 127.98 1jjj s LEU 116 Ca 0.14 2.05 -0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1jjj s LEU 116 Cb -0.12 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1jjj s LEU 116 CO 0.03 -0.25 0.02 -0.69 -1.32 0.00 0.00 176.35 174.14 1jjj s VAL 117 N -0.01 1.14 -0.56 1.68 1.01 0.08 -0.73 120.40 123.01 1jjj s VAL 117 Ca 0.50 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1jjj s VAL 117 Cb -0.29 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.55 1jjj s VAL 117 CO 0.34 -0.31 0.73 -0.69 0.00 0.00 0.00 175.10 175.17 1jjj s VAL 118 N 1.54 4.73 -0.37 2.92 1.01 -0.05 -2.24 120.40 127.94 1jjj s VAL 118 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1jjj s VAL 118 Cb -0.18 -4.44 0.08 0.00 0.00 0.00 0.00 36.38 31.84 1jjj s VAL 118 CO -0.12 -1.04 0.15 -1.61 0.00 0.00 0.00 175.10 172.49 1jjj s GLU 119 N 2.98 2.36 0.04 2.72 2.02 -0.18 -1.04 118.70 127.60 1jjj s GLU 119 Ca 0.16 -1.50 -0.06 0.00 0.02 0.00 0.00 54.97 53.60 1jjj s GLU 119 Cb -0.20 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.46 1jjj s GLU 119 CO 0.10 -0.87 0.29 0.00 0.02 0.00 0.00 175.26 174.81 1jjj s VAL 121 N -1.37 0.52 0.00 0.00 0.11 -0.94 -2.45 120.40 116.26 1jjj s VAL 121 Ca 0.30 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1jjj s VAL 121 Cb -0.13 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1jjj s VAL 121 CO 0.18 0.23 0.00 0.80 -3.33 0.00 0.00 175.10 172.98 1jjj n MET 122 N 4.15 0.00 -3.59 1.54 1.56 -0.91 -1.09 117.12 118.79 1jjj n MET 122 Ca -0.23 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 56.93 1jjj n MET 122 Cb 0.51 -0.01 -0.10 0.00 2.15 0.00 0.00 33.22 35.77 1jjj n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1jjj n ASN 123 N -0.22 1.42 0.00 6.12 0.23 -1.26 -4.81 115.26 116.74 1jjj n ASN 123 Ca 0.00 -2.85 0.00 0.00 -0.53 0.00 0.00 54.58 51.20 1jjj n ASN 123 Cb 0.00 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1jjj n ASN 123 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1jjj n ASN 124 N 2.15 0.00 -4.64 0.53 5.15 -1.26 -4.99 115.26 112.20 1jjj n ASN 124 Ca 0.25 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.80 1jjj n ASN 124 Cb 0.42 -0.09 -0.02 0.00 -0.53 0.00 0.00 39.78 39.56 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jjj s VAL 125 N -0.16 4.19 -0.06 3.44 1.01 -1.26 -5.03 120.40 122.53 1jjj s VAL 125 Ca 0.00 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.41 1jjj s VAL 125 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1jjj s VAL 125 CO 0.00 -0.38 -0.25 0.42 0.00 0.00 0.00 175.10 174.89 1jjj s THR 126 N 4.13 2.04 -0.11 3.92 -4.23 -1.26 -2.15 115.64 117.98 1jjj s THR 126 Ca 0.56 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1jjj s THR 126 Cb -0.18 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.93 1jjj s THR 126 CO 0.20 0.57 -0.22 0.00 -0.54 0.00 0.00 174.62 174.63 1jjj s THR 128 N 0.56 3.83 -0.23 0.00 2.01 -0.95 -1.18 115.64 119.68 1jjj s THR 128 Ca -0.14 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1jjj s THR 128 Cb -0.17 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 1jjj s THR 128 CO 0.04 -0.10 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.71 1jjj s ARG 129 N 1.43 3.26 -0.16 4.92 0.52 -0.20 -2.64 118.95 126.08 1jjj s ARG 129 Ca -0.00 -0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 1jjj s ARG 129 Cb -0.19 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 1jjj s ARG 129 CO 0.03 -0.25 0.27 0.42 0.02 0.00 0.00 175.30 175.78 1jjj s ILE 130 N 1.46 5.32 -0.10 1.52 -1.09 0.04 -0.87 121.20 127.47 1jjj s ILE 130 Ca 0.05 0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 58.96 1jjj s ILE 130 Cb -0.15 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1jjj s ILE 130 CO -0.03 0.40 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.70 1jjj s TYR 131 N 0.39 1.38 -0.10 3.97 2.02 0.09 -1.09 117.35 124.03 1jjj s TYR 131 Ca 0.15 -0.65 -0.14 0.00 -0.37 0.00 0.00 57.07 56.07 1jjj s TYR 131 Cb -0.13 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 1jjj s TYR 131 CO 0.03 -0.46 0.33 -1.83 -1.57 0.00 0.00 175.55 172.05 1jjj s GLU 132 N 1.57 4.03 -0.11 -0.62 4.04 -0.37 -2.28 118.70 124.96 1jjj s GLU 132 Ca 0.02 0.21 -0.29 0.00 0.04 0.00 0.00 54.97 54.94 1jjj s GLU 132 Cb -0.13 -3.32 -0.01 0.00 0.02 0.00 0.00 34.13 30.69 1jjj s GLU 132 CO -0.06 0.46 1.00 0.21 -1.84 0.00 0.00 175.26 175.03 1jjj s LYS 133 N -0.26 4.41 -0.51 -4.83 2.20 -1.26 -0.76 119.74 118.73 1jjj s LYS 133 Ca 0.20 1.37 -0.01 0.00 -0.36 0.00 0.00 55.97 57.17 1jjj s LYS 133 Cb -0.14 -3.54 0.13 0.00 -1.51 0.00 0.00 37.83 32.77 1jjj s LYS 133 CO 0.08 -0.32 0.30 0.08 -0.36 0.00 0.00 175.35 175.13 1jjj s VAL 134 N 2.03 3.24 0.00 4.02 1.01 0.74 -4.99 120.40 126.45 1jjj s VAL 134 Ca 0.48 -2.70 0.00 0.00 0.00 0.00 0.00 61.98 59.75 1jjj s VAL 134 Cb -0.18 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1jjj s VAL 134 CO 0.17 -0.78 0.40 -0.62 0.00 0.00 0.00 175.10 174.27