#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 1.27 -0.63 2.28 3.04 -2.00 -3.22 116.25 117.00 1jjj h VAL 4 Ca 0.00 -1.35 0.04 0.00 -1.01 0.00 0.00 66.70 64.38 1jjj h VAL 4 Cb 0.00 1.28 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 1jjj h VAL 4 CO 0.00 0.44 0.42 1.56 -1.01 0.00 0.00 177.57 178.98 1jjj h GLN 5 N 0.60 0.69 -0.13 4.17 7.50 -2.01 -1.97 115.11 123.98 1jjj h GLN 5 Ca 0.08 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.14 1jjj h GLN 5 Cb 0.74 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1jjj h GLN 5 CO 0.06 0.46 -0.15 0.37 -1.50 0.00 0.00 178.83 178.07 1jjj h GLN 6 N 0.71 0.20 0.00 1.46 4.15 -2.03 -2.79 115.11 116.81 1jjj h GLN 6 Ca 0.26 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1jjj h GLN 6 Cb 0.13 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1jjj h GLN 6 CO -0.07 0.36 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.09 1jjj h LEU 7 N 0.19 0.00 -8.96 -2.39 3.38 -1.37 -3.46 115.31 102.70 1jjj h LEU 7 Ca 0.04 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.42 1jjj h LEU 7 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1jjj h LEU 7 CO 0.02 0.02 0.69 -1.61 0.09 0.00 0.00 178.44 177.65 1jjj s GLU 8 N -3.86 4.06 0.00 1.13 2.02 -1.06 -4.70 118.70 116.30 1jjj s GLU 8 Ca -0.01 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1jjj s GLU 8 Cb 0.11 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1jjj s GLU 8 CO 0.51 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1jjj n GLY 9 N 3.89 -2.37 3.60 -1.39 0.00 -0.44 -4.95 105.19 103.54 1jjj n GLY 9 Ca 0.09 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.94 3.85 -0.39 1.61 3.52 -1.26 -1.25 118.95 123.09 1jjj s ARG 10 Ca 0.00 0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 56.09 1jjj s ARG 10 Cb 0.00 -3.79 0.08 0.00 -1.56 0.00 0.00 34.95 29.68 1jjj s ARG 10 CO 0.00 -0.89 0.18 -1.58 -0.81 0.00 0.00 175.30 172.20 1jjj s TRP 11 N 3.34 3.40 -0.15 5.12 0.52 -0.39 -0.41 118.94 130.37 1jjj s TRP 11 Ca 0.36 -1.89 -0.27 0.00 0.02 0.00 0.00 56.10 54.33 1jjj s TRP 11 Cb -0.12 -2.84 -0.01 0.00 -1.15 0.00 0.00 33.47 29.34 1jjj s TRP 11 CO 0.17 -0.87 0.90 0.50 0.02 0.00 0.00 176.95 177.67 1jjj s ARG 12 N 1.30 4.34 0.18 4.98 3.52 -0.11 -0.60 118.95 132.56 1jjj s ARG 12 Ca 0.03 1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 56.47 1jjj s ARG 12 Cb -0.22 -3.56 -0.10 0.00 -1.56 0.00 0.00 34.95 29.50 1jjj s ARG 12 CO -0.01 -0.33 1.57 -1.17 -0.81 0.00 0.00 175.30 174.56 1jjj s LEU 13 N 2.12 4.37 0.06 -0.88 2.96 -0.79 -0.80 118.68 125.71 1jjj s LEU 13 Ca 0.42 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1jjj s LEU 13 Cb -0.17 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1jjj s LEU 13 CO 0.14 -0.83 0.00 1.33 -1.32 0.00 0.00 176.35 175.67 1jjj n VAL 14 N 3.80 0.78 -3.52 1.68 0.24 -0.40 -4.88 118.33 116.03 1jjj n VAL 14 Ca 0.13 0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 62.37 1jjj n VAL 14 Cb 0.38 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 31.33 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 -5.63 6.58 -0.45 -1.34 2.15 -1.16 -4.96 116.67 111.85 1jjj s ASP 15 Ca 0.00 0.79 0.05 0.00 0.43 0.00 0.00 52.55 53.82 1jjj s ASP 15 Cb 0.00 -2.17 0.18 0.00 -0.30 0.00 0.00 42.92 40.63 1jjj s ASP 15 CO 0.00 -0.02 0.52 -1.54 -0.17 0.00 0.00 175.17 173.96 1jjj n SER 16 N -0.01 -1.68 -4.65 -0.34 3.41 -1.26 -2.02 113.62 107.06 1jjj n SER 16 Ca -0.01 -2.63 -0.43 0.00 -0.26 0.00 0.00 58.87 55.54 1jjj n SER 16 Cb 0.52 0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jjj s LYS 17 N 0.33 4.18 -1.35 4.33 0.00 -0.95 -3.70 119.74 122.57 1jjj s LYS 17 Ca 0.32 1.58 -0.06 0.00 0.00 0.00 0.00 55.97 57.82 1jjj s LYS 17 Cb 0.04 -3.78 0.01 0.00 0.00 0.00 0.00 37.83 34.09 1jjj s LYS 17 CO -0.14 -0.78 0.76 0.41 0.00 0.00 0.00 175.35 175.60 1jjj n GLY 18 N 3.73 -0.42 0.16 0.59 0.00 -1.26 -2.81 105.19 105.19 1jjj n GLY 18 Ca 0.14 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.75 0.78 -0.40 1.61 3.57 -1.82 -2.46 116.94 116.48 1jjj h PHE 19 Ca -0.50 -0.42 0.08 0.00 3.53 0.00 0.00 57.97 60.67 1jjj h PHE 19 Cb 1.34 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 1jjj h PHE 19 CO 0.47 1.24 -0.10 0.22 -2.23 0.00 0.00 178.31 177.91 1jjj h ASP 20 N 0.11 -0.38 -0.37 0.41 1.82 -1.91 -0.93 116.42 115.17 1jjj h ASP 20 Ca -0.09 0.12 0.08 0.00 -0.39 0.00 0.00 57.03 56.75 1jjj h ASP 20 Cb 1.43 0.25 -0.09 0.00 0.68 0.00 0.00 39.33 41.61 1jjj h ASP 20 CO 0.15 -0.13 -0.33 -0.33 -1.61 0.00 0.00 179.24 176.99 1jjj h GLU 21 N -0.00 -0.26 0.04 0.28 5.08 -1.94 0.07 114.58 117.85 1jjj h GLU 21 Ca 0.19 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1jjj h GLU 21 Cb 0.30 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1jjj h GLU 21 CO -0.41 -0.17 -0.22 -0.92 -1.00 0.00 0.00 179.01 176.28 1jjj h TYR 22 N -0.27 -0.59 -0.21 4.33 3.20 -1.34 -2.66 116.97 119.43 1jjj h TYR 22 Ca 0.16 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1jjj h TYR 22 Cb 0.54 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1jjj h TYR 22 CO -0.53 -0.31 -0.30 0.52 -1.64 0.00 0.00 178.16 175.90 1jjj h MET 23 N -0.38 0.42 -0.84 1.82 0.00 -1.05 -1.37 114.93 113.53 1jjj h MET 23 Ca 0.05 -0.17 0.20 0.00 0.00 0.00 0.00 59.70 59.78 1jjj h MET 23 Cb 0.43 -0.02 -0.12 0.00 0.00 0.00 0.00 31.60 31.89 1jjj h MET 23 CO -0.17 0.68 0.29 -0.22 0.00 0.00 0.00 176.91 177.48 1jjj h LYS 24 N 0.36 0.31 -0.41 1.72 3.11 -1.01 -0.40 116.57 120.25 1jjj h LYS 24 Ca 0.05 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.76 1jjj h LYS 24 Cb 0.71 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1jjj h LYS 24 CO 0.05 0.20 -0.16 0.93 -2.81 0.00 0.00 179.45 177.66 1jjj h GLU 25 N 0.32 0.84 -0.39 1.90 3.07 -1.06 -3.27 114.58 115.99 1jjj h GLU 25 Ca 0.51 -0.35 0.08 0.00 -0.50 0.00 0.00 59.36 59.10 1jjj h GLU 25 Cb 0.95 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.75 1jjj h GLU 25 CO -0.55 0.99 -0.12 -0.07 -1.40 0.00 0.00 179.01 177.85 1jjj h LEU 26 N 0.66 -0.44 0.00 1.33 3.38 -1.02 -3.48 115.31 115.74 1jjj h LEU 26 Ca 0.10 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jjj h LEU 26 Cb 0.71 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1jjj h LEU 26 CO 0.05 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1jjj n GLY 27 N -1.32 0.43 3.55 0.83 0.00 -0.18 -5.11 105.19 103.39 1jjj n GLY 27 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1jjj n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjj s VAL 28 N -0.82 3.35 1.00 1.61 -7.23 -1.12 -5.04 120.40 112.16 1jjj s VAL 28 Ca 0.00 -0.89 -0.17 0.00 -1.81 0.00 0.00 61.98 59.11 1jjj s VAL 28 Cb 0.00 -2.44 0.23 0.00 0.56 0.00 0.00 36.38 34.74 1jjj s VAL 28 CO 0.00 0.39 1.27 0.61 -0.31 0.00 0.00 175.10 177.06 1jjj n GLY 29 N 1.61 -1.71 0.19 2.32 0.00 -1.26 -4.56 105.19 101.77 1jjj n GLY 29 Ca -0.16 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1jjj n GLY 29 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jjj h ILE 30 N -1.92 0.95 -0.85 -0.61 3.07 -2.01 -1.62 117.51 114.52 1jjj h ILE 30 Ca -0.42 -0.15 -0.02 0.00 1.55 0.00 0.00 64.86 65.82 1jjj h ILE 30 Cb 1.18 0.46 -0.04 0.00 -0.27 0.00 0.00 36.82 38.15 1jjj h ILE 30 CO 0.29 0.08 0.46 0.00 -1.05 0.00 0.00 178.15 177.93 1jjj h ALA 31 N 1.26 1.09 -0.51 0.16 0.00 -1.98 0.95 119.26 120.22 1jjj h ALA 31 Ca 0.21 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jjj h ALA 31 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jjj h ALA 31 CO -0.16 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.51 1jjj h LEU 32 N 1.18 0.95 -0.54 0.00 3.38 -1.89 -1.17 115.31 117.22 1jjj h LEU 32 Ca 0.30 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1jjj h LEU 32 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1jjj h LEU 32 CO -0.05 1.07 0.18 0.03 0.09 0.00 0.00 178.44 179.77 1jjj h ARG 33 N 0.85 0.84 -0.44 1.13 3.08 -1.21 -3.09 114.38 115.54 1jjj h ARG 33 Ca 0.13 -0.17 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1jjj h ARG 33 Cb 0.66 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 1jjj h ARG 33 CO 0.05 0.75 -0.14 0.87 -1.07 0.00 0.00 179.97 180.43 1jjj h LYS 34 N 0.75 -0.03 -3.22 0.04 1.57 -0.83 0.18 116.57 115.02 1jjj h LYS 34 Ca 0.18 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.60 1jjj h LYS 34 Cb 0.26 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jjj h LYS 34 CO -0.01 -0.02 2.31 -1.33 -0.57 0.00 0.00 179.45 179.82 1jjj n MET 35 N -5.35 2.11 0.00 3.15 2.81 -0.44 -2.70 117.12 116.70 1jjj n MET 35 Ca 0.03 -1.39 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 1jjj n MET 35 Cb 0.26 -2.38 0.00 0.00 -0.71 0.00 0.00 33.22 30.39 1jjj n MET 35 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jjj n GLY 36 N 3.57 -1.84 0.11 3.03 0.00 -1.15 -4.87 105.19 104.04 1jjj n GLY 36 Ca 0.45 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.98 1jjj n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj h ALA 37 N 0.00 0.21 0.00 4.61 0.00 -0.73 -3.31 119.26 120.03 1jjj h ALA 37 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jjj h ALA 37 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jjj h ALA 37 CO 0.00 -0.18 -0.58 0.00 0.00 0.00 0.00 179.25 178.49 1jjj h MET 38 N 0.08 0.00 -6.18 0.00 -0.00 -1.71 -3.47 114.93 103.66 1jjj h MET 38 Ca 0.05 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.18 1jjj h MET 38 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.78 1jjj h MET 38 CO -0.00 0.00 0.84 0.00 -0.00 0.00 0.00 176.91 177.75 1jjj s ALA 39 N -3.24 3.62 -0.37 -3.00 0.00 -1.24 -5.05 121.76 112.48 1jjj s ALA 39 Ca 0.04 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1jjj s ALA 39 Cb 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1jjj s ALA 39 CO 0.72 -1.06 0.42 0.15 0.00 0.00 0.00 175.76 175.99 1jjj s LYS 40 N 3.15 3.42 0.26 0.00 3.01 -1.26 -4.67 119.74 123.65 1jjj s LYS 40 Ca 0.53 -0.48 -0.17 0.00 -1.01 0.00 0.00 55.97 54.84 1jjj s LYS 40 Cb -0.21 -3.86 -0.08 0.00 -1.01 0.00 0.00 37.83 32.66 1jjj s LYS 40 CO 0.15 -0.66 0.71 -1.25 0.51 0.00 0.00 175.35 174.82 1jjj s PRO 41 N 2.13 4.13 -0.66 -1.68 0.04 -1.26 -4.57 135.00 133.13 1jjj s PRO 41 Ca 0.13 0.76 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 1jjj s PRO 41 Cb -0.16 -2.71 0.11 0.00 0.04 0.00 0.00 34.50 31.78 1jjj s PRO 41 CO 0.13 0.31 0.80 -0.51 0.04 0.00 0.00 177.00 177.76 1jjj s ASP 42 N -1.91 6.28 -0.57 6.66 1.11 -0.12 -1.89 116.67 126.24 1jjj s ASP 42 Ca 0.47 -1.55 -0.23 0.00 0.18 0.00 0.00 52.55 51.42 1jjj s ASP 42 Cb -0.14 -2.32 0.05 0.00 1.07 0.00 0.00 42.92 41.58 1jjj s ASP 42 CO 0.20 -1.11 0.91 0.00 1.18 0.00 0.00 175.17 176.34 1jjj s ILE 44 N 3.81 4.76 -0.18 0.00 1.01 0.06 -1.26 121.20 129.41 1jjj s ILE 44 Ca 0.27 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 1jjj s ILE 44 Cb -0.14 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1jjj s ILE 44 CO 0.17 -0.83 0.27 -0.63 0.00 0.00 0.00 174.94 173.92 1jjj s ILE 45 N 2.94 5.31 -0.23 2.92 1.01 -0.38 -1.52 121.20 131.24 1jjj s ILE 45 Ca 0.20 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 1jjj s ILE 45 Cb -0.17 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1jjj s ILE 45 CO 0.15 0.37 0.57 -0.89 0.00 0.00 0.00 174.94 175.15 1jjj s THR 46 N 0.62 -0.01 -0.11 2.92 2.01 -0.73 -1.32 115.64 119.02 1jjj s THR 46 Ca 0.15 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1jjj s THR 46 Cb -0.13 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.54 1jjj s THR 46 CO 0.03 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 173.76 1jjj s ASP 48 N 0.34 6.57 0.00 0.00 2.15 -1.12 -4.90 116.67 119.71 1jjj s ASP 48 Ca -0.17 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.53 1jjj s ASP 48 Cb -0.18 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1jjj s ASP 48 CO 0.08 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 1jjj n GLY 49 N 4.59 1.64 0.00 2.66 0.00 -1.26 -3.24 105.19 109.58 1jjj n GLY 49 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.30 -2.39 1.61 5.02 -1.26 -5.00 118.16 118.43 1jjj n LYS 50 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1jjj n LYS 50 Cb 0.00 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jjj s ASN 51 N -2.31 5.93 -0.33 4.39 4.22 -1.20 -0.84 114.94 124.80 1jjj s ASN 51 Ca 0.00 -0.11 -0.18 0.00 -2.14 0.00 0.00 52.86 50.44 1jjj s ASN 51 Cb 0.00 -2.55 -0.01 0.00 1.28 0.00 0.00 41.25 39.97 1jjj s ASN 51 CO 0.00 -1.95 0.49 -0.22 -2.04 0.00 0.00 177.10 173.38 1jjj s LEU 52 N 6.66 4.28 -0.21 3.54 0.20 0.16 -2.79 118.68 130.51 1jjj s LEU 52 Ca 0.47 0.08 -0.17 0.00 0.69 0.00 0.00 54.13 55.19 1jjj s LEU 52 Cb -0.10 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.06 1jjj s LEU 52 CO 0.18 -0.42 0.45 -0.89 -0.29 0.00 0.00 176.35 175.39 1jjj s THR 53 N 2.33 5.15 -0.32 3.68 2.01 0.05 -0.85 115.64 127.71 1jjj s THR 53 Ca 0.18 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 1jjj s THR 53 Cb -0.16 -3.77 0.07 0.00 0.01 0.00 0.00 72.50 68.65 1jjj s THR 53 CO 0.12 0.20 0.02 -0.63 -0.69 0.00 0.00 174.62 173.64 1jjj s ILE 54 N 1.61 2.84 -0.46 1.82 1.01 -0.15 -1.77 121.20 126.10 1jjj s ILE 54 Ca 0.21 -1.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1jjj s ILE 54 Cb -0.15 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.67 1jjj s ILE 54 CO 0.09 -0.24 0.35 -0.75 0.00 0.00 0.00 174.94 174.39 1jjj s LYS 55 N 1.18 2.76 -0.60 2.79 2.20 -0.58 -1.95 119.74 125.54 1jjj s LYS 55 Ca -0.02 -1.51 -0.19 0.00 -0.36 0.00 0.00 55.97 53.89 1jjj s LYS 55 Cb -0.20 -3.99 0.10 0.00 -1.51 0.00 0.00 37.83 32.23 1jjj s LYS 55 CO -0.03 -1.07 0.72 0.99 -0.36 0.00 0.00 175.35 175.61 1jjj s THR 56 N 1.51 4.78 -0.51 3.43 2.01 0.76 -0.76 115.64 126.86 1jjj s THR 56 Ca 0.04 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 1jjj s THR 56 Cb -0.25 -4.50 0.10 0.00 0.01 0.00 0.00 72.50 67.86 1jjj s THR 56 CO 0.03 -1.15 0.45 -1.61 -0.69 0.00 0.00 174.62 171.65 1jjj s GLU 57 N 2.80 2.98 -0.00 4.92 0.41 -0.54 -1.82 118.70 127.45 1jjj s GLU 57 Ca 0.12 -1.54 0.01 0.00 -0.41 0.00 0.00 54.97 53.15 1jjj s GLU 57 Cb -0.23 -4.21 -0.00 0.00 -1.78 0.00 0.00 34.13 27.90 1jjj s GLU 57 CO 0.07 -1.18 -0.02 0.45 -0.49 0.00 0.00 175.26 174.09 1jjj s SER 58 N 3.10 0.20 0.36 -0.19 0.15 -1.26 -0.94 113.70 115.12 1jjj s SER 58 Ca 0.04 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.72 1jjj s SER 58 Cb -0.27 -0.02 0.68 0.00 -1.71 0.00 0.00 66.02 64.70 1jjj s SER 58 CO 0.05 0.02 1.90 0.71 1.20 0.00 0.00 173.24 177.11 1jjj h THR 59 N 5.12 1.18 -0.22 6.45 1.35 -1.97 -2.72 112.91 122.11 1jjj h THR 59 Ca -0.26 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 64.80 1jjj h THR 59 Cb 1.20 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1jjj h THR 59 CO 0.51 0.25 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.91 1jjj h LEU 60 N 0.40 0.42 -6.64 3.87 3.38 -1.98 -3.45 115.31 111.32 1jjj h LEU 60 Ca 0.09 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1jjj h LEU 60 Cb 0.33 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 40.71 1jjj h LEU 60 CO 0.01 0.68 -0.34 -0.75 0.09 0.00 0.00 178.44 178.14 1jjj s LYS 61 N -4.79 0.43 0.00 1.13 2.36 -1.15 -5.02 119.74 112.71 1jjj s LYS 61 Ca -0.14 0.96 -0.13 0.00 -2.55 0.00 0.00 55.97 54.11 1jjj s LYS 61 Cb 0.07 0.24 -0.06 0.00 -1.05 0.00 0.00 37.83 37.03 1jjj s LYS 61 CO 0.75 -0.45 0.38 0.99 1.55 0.00 0.00 175.35 178.57 1jjj s THR 62 N 2.70 5.10 0.05 3.43 2.01 -1.04 -4.13 115.64 123.76 1jjj s THR 62 Ca 0.07 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1jjj s THR 62 Cb -0.14 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1jjj s THR 62 CO -0.17 0.52 -0.05 0.42 -0.69 0.00 0.00 174.62 174.66 1jjj s THR 63 N -1.14 0.33 -0.02 -0.82 -4.23 -0.75 -4.99 115.64 104.02 1jjj s THR 63 Ca 0.25 -1.41 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1jjj s THR 63 Cb -0.16 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1jjj s THR 63 CO 0.13 -0.70 0.12 0.00 -0.54 0.00 0.00 174.62 173.63 1jjj s GLN 64 N -2.69 0.35 -0.00 3.99 1.03 -1.26 -0.17 119.66 120.90 1jjj s GLN 64 Ca -0.03 -0.19 -0.19 0.00 0.04 0.00 0.00 55.36 55.00 1jjj s GLN 64 Cb -0.02 0.15 0.03 0.00 0.03 0.00 0.00 33.01 33.21 1jjj s GLN 64 CO -0.04 -0.07 0.40 -0.59 -2.54 0.00 0.00 175.29 172.45 1jjj s PHE 65 N -0.83 -0.28 -0.27 9.60 -0.12 -0.82 -5.02 117.98 120.23 1jjj s PHE 65 Ca -0.09 0.39 -0.05 0.00 -0.05 0.00 0.00 56.93 57.13 1jjj s PHE 65 Cb -0.05 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1jjj s PHE 65 CO 0.01 -0.49 0.03 -1.54 -0.05 0.00 0.00 175.22 173.18 1jjj s SER 66 N -1.54 4.81 -0.15 1.98 1.04 -1.26 -0.98 113.70 117.60 1jjj s SER 66 Ca -0.10 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.58 1jjj s SER 66 Cb -0.03 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1jjj s SER 66 CO 0.03 -0.15 0.05 0.00 0.98 0.00 0.00 173.24 174.15 1jjj s THR 68 N -0.17 4.41 -0.08 0.00 2.01 -1.26 -0.66 115.64 119.89 1jjj s THR 68 Ca 0.07 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 1jjj s THR 68 Cb -0.12 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1jjj s THR 68 CO 0.01 -0.72 1.50 -0.22 -0.69 0.00 0.00 174.62 174.51 1jjj s LEU 69 N 3.93 4.28 0.00 4.42 2.96 -0.02 -2.66 118.68 131.59 1jjj s LEU 69 Ca 0.44 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1jjj s LEU 69 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1jjj s LEU 69 CO 0.23 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 175.02 1jjj n GLY 70 N 3.91 2.29 0.00 7.98 0.00 0.27 -4.99 105.19 114.65 1jjj n GLY 70 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1jjj n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jjj n GLU 71 N 0.00 0.26 -3.12 1.61 0.00 -1.09 -4.86 120.64 113.44 1jjj n GLU 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1jjj n GLU 71 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1jjj n GLU 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1jjj s LYS 72 N -1.98 4.32 0.32 5.31 -2.85 -1.26 -2.48 119.74 121.13 1jjj s LYS 72 Ca 0.00 0.91 0.10 0.00 -1.00 0.00 0.00 55.97 55.97 1jjj s LYS 72 Cb 0.00 -3.09 -0.05 0.00 -2.06 0.00 0.00 37.83 32.63 1jjj s LYS 72 CO 0.00 0.52 -0.05 -0.59 0.10 0.00 0.00 175.35 175.32 1jjj s PHE 73 N -1.30 2.49 -0.63 1.78 -0.71 -0.89 -4.86 117.98 113.86 1jjj s PHE 73 Ca 0.37 -0.40 -0.26 0.00 -1.04 0.00 0.00 56.93 55.59 1jjj s PHE 73 Cb -0.19 -1.33 0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1jjj s PHE 73 CO 0.22 0.56 1.14 -2.00 -1.34 0.00 0.00 175.22 173.81 1jjj s GLU 74 N -3.65 3.33 -0.56 1.99 2.12 -1.26 -0.83 118.70 119.84 1jjj s GLU 74 Ca 0.33 -0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.30 1jjj s GLU 74 Cb -0.01 -4.10 0.05 0.00 0.26 0.00 0.00 34.13 30.33 1jjj s GLU 74 CO 0.18 -1.79 0.92 -2.00 -0.54 0.00 0.00 175.26 172.02 1jjj s GLU 75 N 4.88 3.28 -0.61 4.30 2.12 -0.23 -4.92 118.70 127.52 1jjj s GLU 75 Ca 0.36 -0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.01 1jjj s GLU 75 Cb -0.10 -4.08 0.04 0.00 0.26 0.00 0.00 34.13 30.24 1jjj s GLU 75 CO 0.19 -1.52 1.13 0.99 -0.54 0.00 0.00 175.26 175.51 1jjj s THR 76 N 3.86 4.08 0.66 -1.70 2.01 -1.26 -1.31 115.64 121.97 1jjj s THR 76 Ca 0.28 0.55 -0.12 0.00 0.31 0.00 0.00 61.69 62.71 1jjj s THR 76 Cb -0.14 -4.71 -0.01 0.00 0.01 0.00 0.00 72.50 67.65 1jjj s THR 76 CO 0.17 -1.39 1.05 0.42 -0.69 0.00 0.00 174.62 174.18 1jjj s THR 77 N 4.77 4.18 0.33 -0.82 -4.23 -0.63 -4.93 115.64 114.31 1jjj s THR 77 Ca 0.36 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 1jjj s THR 77 Cb -0.10 -3.51 0.32 0.00 1.34 0.00 0.00 72.50 70.55 1jjj s THR 77 CO 0.21 -0.88 1.79 0.00 -0.54 0.00 0.00 174.62 175.20 1jjj h ALA 78 N -0.43 1.78 -0.84 3.99 0.00 -1.96 -1.07 119.26 120.73 1jjj h ALA 78 Ca -0.44 0.06 0.20 0.00 0.00 0.00 0.00 54.91 54.73 1jjj h ALA 78 Cb 1.21 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 1jjj h ALA 78 CO 0.58 -0.14 0.01 0.22 0.00 0.00 0.00 179.25 179.92 1jjj h ASP 79 N 0.70 -0.40 0.00 0.00 1.82 -1.94 -3.48 116.42 113.12 1jjj h ASP 79 Ca 0.56 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 57.42 1jjj h ASP 79 Cb 0.95 0.39 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1jjj h ASP 79 CO -0.33 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 177.67 1jjj n GLY 80 N -1.45 1.11 3.76 -0.78 0.00 -0.41 -5.08 105.19 102.35 1jjj n GLY 80 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.18 -0.15 1.61 0.52 -1.26 -4.60 118.95 119.25 1jjj s ARG 81 Ca 0.00 2.47 -0.29 0.00 -0.52 0.00 0.00 55.73 57.38 1jjj s ARG 81 Cb 0.00 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1jjj s ARG 81 CO 0.00 -0.50 1.19 0.15 0.02 0.00 0.00 175.30 176.15 1jjj s LYS 82 N -1.06 4.28 -0.11 3.54 -0.14 -1.26 -1.60 119.74 123.39 1jjj s LYS 82 Ca 0.58 1.58 -0.01 0.00 -1.36 0.00 0.00 55.97 56.76 1jjj s LYS 82 Cb -0.45 -3.68 0.03 0.00 -1.68 0.00 0.00 37.83 32.05 1jjj s LYS 82 CO 0.52 -0.61 -0.03 0.95 -0.76 0.00 0.00 175.35 175.42 1jjj s THR 83 N 3.04 0.69 -0.67 2.17 -4.23 -0.43 -4.74 115.64 111.47 1jjj s THR 83 Ca 0.52 -0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.60 1jjj s THR 83 Cb -0.21 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 72.81 1jjj s THR 83 CO 0.15 0.23 1.43 -1.10 -0.54 0.00 0.00 174.62 174.79 1jjj s GLN 84 N 1.84 3.10 -0.31 3.99 1.11 -0.14 -1.07 119.66 128.18 1jjj s GLN 84 Ca 0.04 0.11 0.00 0.00 0.01 0.00 0.00 55.36 55.52 1jjj s GLN 84 Cb -0.13 -4.21 0.07 0.00 -1.01 0.00 0.00 33.01 27.73 1jjj s GLN 84 CO -0.07 -2.22 0.01 0.99 0.01 0.00 0.00 175.29 174.01 1jjj s THR 85 N 6.52 2.73 -0.29 -0.19 2.01 -0.01 -1.77 115.64 124.64 1jjj s THR 85 Ca 0.46 -1.68 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 1jjj s THR 85 Cb -0.10 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1jjj s THR 85 CO 0.19 -0.24 1.02 -0.69 -0.69 0.00 0.00 174.62 174.21 1jjj s VAL 86 N 1.15 4.60 -0.41 3.82 1.01 -0.69 -2.09 120.40 127.78 1jjj s VAL 86 Ca -0.02 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 1jjj s VAL 86 Cb -0.20 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.87 1jjj s VAL 86 CO -0.03 -0.36 0.29 0.00 0.00 0.00 0.00 175.10 175.00 1jjj s ASN 88 N 1.85 2.36 -0.11 0.00 0.01 -0.53 -0.56 114.94 117.95 1jjj s ASN 88 Ca 0.04 -0.40 -0.25 0.00 -0.71 0.00 0.00 52.86 51.54 1jjj s ASN 88 Cb -0.20 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 1jjj s ASN 88 CO 0.08 -0.02 0.78 0.12 -1.51 0.00 0.00 177.10 176.56 1jjj s PHE 89 N 1.15 3.51 -0.05 2.20 5.36 -1.26 -0.71 117.98 128.18 1jjj s PHE 89 Ca -0.04 1.28 -0.03 0.00 -0.96 0.00 0.00 56.93 57.18 1jjj s PHE 89 Cb -0.14 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.63 1jjj s PHE 89 CO -0.04 -0.08 0.11 -0.08 -1.46 0.00 0.00 175.22 173.68 1jjj s THR 90 N 1.47 -0.02 -1.32 0.12 -1.32 -0.41 -5.01 115.64 109.16 1jjj s THR 90 Ca 0.39 0.06 -0.08 0.00 -1.21 0.00 0.00 61.69 60.84 1jjj s THR 90 Cb -0.17 -0.18 0.01 0.00 -1.51 0.00 0.00 72.50 70.65 1jjj s THR 90 CO 0.16 0.02 1.08 0.47 -2.21 0.00 0.00 174.62 174.15 1jjj n ASP 91 N 3.37 -6.20 -0.60 8.08 8.00 -1.26 -1.32 116.55 126.62 1jjj n ASP 91 Ca -0.17 -0.49 -0.08 0.00 0.71 0.00 0.00 54.79 54.76 1jjj n ASP 91 Cb 0.57 -4.85 -0.03 0.00 -0.02 0.00 0.00 41.12 36.79 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 92 N -1.91 0.95 2.95 0.44 0.00 -1.26 -4.98 105.19 101.38 1jjj n GLY 92 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.29 -0.30 -0.43 4.61 0.00 -0.43 -1.93 121.76 120.98 1jjj s ALA 93 Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 1jjj s ALA 93 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1jjj s ALA 93 CO 0.00 -0.15 0.53 -1.17 0.00 0.00 0.00 175.76 174.98 1jjj s LEU 94 N 1.01 4.70 -0.48 0.00 2.96 -0.68 -1.28 118.68 124.91 1jjj s LEU 94 Ca -0.08 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.07 1jjj s LEU 94 Cb -0.10 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.08 1jjj s LEU 94 CO -0.05 -0.68 0.82 -0.69 -1.32 0.00 0.00 176.35 174.43 1jjj s VAL 95 N 2.46 4.59 -0.55 1.68 1.01 0.11 -0.96 120.40 128.75 1jjj s VAL 95 Ca 0.17 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1jjj s VAL 95 Cb -0.16 -4.38 0.09 0.00 0.00 0.00 0.00 36.38 31.93 1jjj s VAL 95 CO 0.16 -0.82 0.64 -1.58 0.00 0.00 0.00 175.10 173.49 1jjj s GLN 96 N 3.42 3.06 -0.71 2.72 0.74 0.01 -1.46 119.66 127.45 1jjj s GLN 96 Ca 0.29 -1.20 -0.13 0.00 0.05 0.00 0.00 55.36 54.38 1jjj s GLN 96 Cb -0.13 -4.20 0.18 0.00 1.10 0.00 0.00 33.01 29.97 1jjj s GLN 96 CO 0.21 -1.37 0.63 -1.58 -0.55 0.00 0.00 175.29 172.64 1jjj s HIS 97 N 2.50 3.58 -0.26 1.67 2.46 -0.09 -1.05 115.29 124.09 1jjj s HIS 97 Ca 0.11 -1.91 -0.29 0.00 0.47 0.00 0.00 55.06 53.45 1jjj s HIS 97 Cb -0.23 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 1jjj s HIS 97 CO 0.08 -0.98 1.21 -0.65 -2.47 0.00 0.00 174.74 171.93 1jjj s GLN 98 N 0.56 4.06 -0.11 2.88 -0.21 -0.16 -1.71 119.66 124.97 1jjj s GLN 98 Ca 0.13 1.32 -0.01 0.00 0.02 0.00 0.00 55.36 56.82 1jjj s GLN 98 Cb -0.17 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.02 1jjj s GLN 98 CO -0.05 -0.92 -0.05 -2.00 -2.12 0.00 0.00 175.29 170.15 1jjj s GLU 99 N 3.79 3.18 -0.21 2.91 -6.30 -0.73 -1.53 118.70 119.81 1jjj s GLU 99 Ca 0.52 -0.52 -0.06 0.00 -2.50 0.00 0.00 54.97 52.41 1jjj s GLU 99 Cb -0.17 -2.75 0.10 0.00 0.00 0.00 0.00 34.13 31.32 1jjj s GLU 99 CO 0.17 0.48 0.42 1.67 0.02 0.00 0.00 175.26 178.03 1jjj s TRP 100 N -0.31 -0.84 -1.50 5.30 -2.14 -1.20 -0.97 118.94 117.29 1jjj s TRP 100 Ca 0.05 1.37 -0.08 0.00 2.66 0.00 0.00 56.10 60.10 1jjj s TRP 100 Cb -0.13 0.25 0.06 0.00 -3.10 0.00 0.00 33.47 30.56 1jjj s TRP 100 CO 0.02 -0.55 0.69 -3.47 -2.66 0.00 0.00 176.95 170.98 1jjj n ASP 101 N 5.39 -2.28 -1.96 -2.66 2.03 -1.26 -1.85 116.55 113.96 1jjj n ASP 101 Ca -0.07 -0.93 -0.19 0.00 0.52 0.00 0.00 54.79 54.12 1jjj n ASP 101 Cb 0.50 -3.32 -0.03 0.00 -0.72 0.00 0.00 41.12 37.55 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 -1.70 0.24 2.65 0.27 0.00 -1.26 -5.01 105.19 100.37 1jjj n GLY 102 Ca -0.12 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.56 0.49 -0.00 1.61 1.02 -0.77 -5.15 119.74 112.38 1jjj s LYS 103 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.21 1jjj s LYS 103 Cb 0.00 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1jjj s LYS 103 CO 0.00 -1.00 -0.16 -1.83 -0.92 0.00 0.00 175.35 171.44 1jjj s GLU 104 N 1.83 2.28 -0.06 1.68 -1.05 -1.26 -3.24 118.70 118.87 1jjj s GLU 104 Ca 0.09 -0.85 0.05 0.00 -0.15 0.00 0.00 54.97 54.12 1jjj s GLU 104 Cb -0.17 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 1jjj s GLU 104 CO -0.30 0.58 -0.20 0.45 0.95 0.00 0.00 175.26 176.73 1jjj s SER 105 N -1.10 3.50 -0.31 0.83 0.15 -0.58 -4.23 113.70 111.96 1jjj s SER 105 Ca 0.13 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.39 1jjj s SER 105 Cb -0.11 -0.83 0.05 0.00 -1.71 0.00 0.00 66.02 63.43 1jjj s SER 105 CO 0.03 0.29 0.01 0.42 1.20 0.00 0.00 173.24 175.19 1jjj s THR 106 N -0.39 3.00 -0.56 6.45 -4.23 -0.62 -0.99 115.64 118.29 1jjj s THR 106 Ca 0.04 -1.44 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1jjj s THR 106 Cb -0.12 -2.75 0.14 0.00 1.34 0.00 0.00 72.50 71.11 1jjj s THR 106 CO 0.02 -0.15 0.47 -0.63 -0.54 0.00 0.00 174.62 173.79 1jjj s ILE 107 N 1.24 4.79 -0.51 2.99 1.09 -0.22 -2.27 121.20 128.31 1jjj s ILE 107 Ca -0.04 -1.83 -0.19 0.00 -1.10 0.00 0.00 60.65 57.49 1jjj s ILE 107 Cb -0.20 -4.08 0.06 0.00 -1.06 0.00 0.00 42.46 37.17 1jjj s ILE 107 CO -0.01 -0.86 0.63 -0.89 -0.10 0.00 0.00 174.94 173.71 1jjj s THR 108 N 1.21 4.86 -0.93 2.92 2.01 -0.07 -0.81 115.64 124.84 1jjj s THR 108 Ca 0.07 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1jjj s THR 108 Cb -0.25 -4.30 0.18 0.00 0.01 0.00 0.00 72.50 68.13 1jjj s THR 108 CO -0.00 -0.81 1.01 -0.13 -0.69 0.00 0.00 174.62 174.00 1jjj s ARG 109 N 2.66 3.69 -0.11 4.92 0.52 -0.13 -1.16 118.95 129.33 1jjj s ARG 109 Ca 0.16 -2.21 -0.04 0.00 -0.52 0.00 0.00 55.73 53.12 1jjj s ARG 109 Cb -0.19 -4.72 -0.04 0.00 0.52 0.00 0.00 34.95 30.53 1jjj s ARG 109 CO 0.12 -1.55 0.04 -1.59 0.02 0.00 0.00 175.30 172.34 1jjj s LYS 110 N 1.34 3.30 -0.32 3.54 -2.85 -0.48 -1.69 119.74 122.58 1jjj s LYS 110 Ca 0.28 -0.35 -0.19 0.00 -1.00 0.00 0.00 55.97 54.71 1jjj s LYS 110 Cb -0.07 -2.95 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 1jjj s LYS 110 CO -0.08 0.61 0.57 -1.17 0.10 0.00 0.00 175.35 175.37 1jjj s LEU 111 N -0.59 4.20 -1.03 2.77 1.98 -0.81 -0.80 118.68 124.39 1jjj s LEU 111 Ca 0.10 0.27 -0.13 0.00 -2.89 0.00 0.00 54.13 51.49 1jjj s LEU 111 Cb -0.12 -2.71 0.22 0.00 0.66 0.00 0.00 46.19 44.25 1jjj s LEU 111 CO 0.02 -0.45 1.08 -0.54 -1.89 0.00 0.00 176.35 174.56 1jjj s LYS 112 N 2.49 3.94 0.00 1.98 3.01 0.22 -4.90 119.74 126.48 1jjj s LYS 112 Ca 0.22 -2.70 0.00 0.00 -1.01 0.00 0.00 55.97 52.48 1jjj s LYS 112 Cb -0.15 -4.66 0.00 0.00 -1.01 0.00 0.00 37.83 32.01 1jjj s LYS 112 CO 0.12 -1.42 0.00 -0.25 0.51 0.00 0.00 175.35 174.31 1jjj n ASP 113 N 4.10 0.00 0.00 2.83 8.00 -1.26 -1.29 116.55 128.93 1jjj n ASP 113 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1jjj n ASP 113 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.31 3.94 3.50 0.44 0.00 -1.26 -5.13 105.19 106.37 1jjj n GLY 114 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 2.72 -0.33 1.61 -0.14 -0.41 -3.67 119.74 119.52 1jjj s LYS 115 Ca 0.00 -0.64 -0.18 0.00 -1.36 0.00 0.00 55.97 53.79 1jjj s LYS 115 Cb 0.00 -2.49 -0.01 0.00 -1.68 0.00 0.00 37.83 33.65 1jjj s LYS 115 CO 0.00 0.58 0.52 -1.17 -0.76 0.00 0.00 175.35 174.52 1jjj s LEU 116 N -0.60 4.25 -0.44 3.17 2.96 -0.26 -0.61 118.68 127.15 1jjj s LEU 116 Ca 0.09 0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.94 1jjj s LEU 116 Cb -0.11 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 43.99 1jjj s LEU 116 CO 0.01 -0.43 0.56 -0.69 -1.32 0.00 0.00 176.35 174.48 1jjj s VAL 117 N 2.39 4.93 -0.48 1.68 1.01 0.02 -0.92 120.40 129.03 1jjj s VAL 117 Ca 0.20 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1jjj s VAL 117 Cb -0.15 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1jjj s VAL 117 CO 0.12 -0.55 0.44 -0.69 0.00 0.00 0.00 175.10 174.42 1jjj s VAL 118 N 2.54 5.16 -0.56 2.92 1.01 0.10 -1.39 120.40 130.19 1jjj s VAL 118 Ca 0.18 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 1jjj s VAL 118 Cb -0.16 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.18 1jjj s VAL 118 CO 0.16 -0.61 0.62 -1.61 0.00 0.00 0.00 175.10 173.66 1jjj s GLU 119 N 1.85 3.03 -0.16 2.72 2.02 -0.31 -1.19 118.70 126.66 1jjj s GLU 119 Ca 0.06 -1.41 -0.12 0.00 0.02 0.00 0.00 54.97 53.52 1jjj s GLU 119 Cb -0.23 -4.26 -0.05 0.00 0.10 0.00 0.00 34.13 29.70 1jjj s GLU 119 CO 0.08 -1.42 0.24 0.00 0.02 0.00 0.00 175.26 174.18 1jjj s VAL 121 N 0.21 0.46 -0.25 0.00 0.11 -0.96 -0.88 120.40 119.09 1jjj s VAL 121 Ca 0.15 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1jjj s VAL 121 Cb -0.13 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1jjj s VAL 121 CO 0.03 0.25 -0.06 -0.32 -3.33 0.00 0.00 175.10 171.67 1jjj s MET 122 N 1.56 2.78 -1.17 1.54 1.75 -0.97 -1.59 119.30 123.20 1jjj s MET 122 Ca -0.01 -1.01 -0.08 0.00 -1.25 0.00 0.00 55.69 53.34 1jjj s MET 122 Cb -0.13 -2.98 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 1jjj s MET 122 CO -0.03 -0.42 0.82 0.09 -0.65 0.00 0.00 175.02 174.83 1jjj n ASN 123 N 4.65 -4.12 0.00 1.11 5.03 -1.26 -2.38 115.26 118.29 1jjj n ASN 123 Ca -0.16 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.46 1jjj n ASN 123 Cb 0.47 -4.32 0.00 0.00 -1.02 0.00 0.00 39.78 34.90 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 -3.01 0.00 -4.67 6.41 3.02 -1.26 -5.01 115.26 110.74 1jjj n ASN 124 Ca -0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 1jjj n ASN 124 Cb 0.63 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.00 4.94 0.02 2.41 1.01 -1.00 -5.05 120.40 122.73 1jjj s VAL 125 Ca 0.00 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.47 1jjj s VAL 125 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1jjj s VAL 125 CO 0.00 0.06 -0.13 0.42 0.00 0.00 0.00 175.10 175.46 1jjj s THR 126 N 2.04 3.20 -0.09 3.92 -4.23 -1.26 -2.28 115.64 116.94 1jjj s THR 126 Ca 0.34 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1jjj s THR 126 Cb -0.16 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1jjj s THR 126 CO 0.12 0.38 -0.10 0.00 -0.54 0.00 0.00 174.62 174.48 1jjj s THR 128 N -0.39 3.03 -0.24 0.00 2.01 -1.12 -1.32 115.64 117.61 1jjj s THR 128 Ca 0.05 -1.28 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 1jjj s THR 128 Cb -0.12 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1jjj s THR 128 CO 0.02 -0.04 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.72 1jjj s ARG 129 N 1.28 2.94 -0.14 4.92 0.52 -0.34 -2.23 118.95 125.90 1jjj s ARG 129 Ca -0.04 -0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 54.08 1jjj s ARG 129 Cb -0.19 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1jjj s ARG 129 CO -0.01 -0.36 0.49 0.42 0.02 0.00 0.00 175.30 175.85 1jjj s ILE 130 N 1.35 5.17 -0.01 1.52 1.09 -0.86 -0.72 121.20 128.74 1jjj s ILE 130 Ca 0.01 0.95 0.07 0.00 -1.10 0.00 0.00 60.65 60.58 1jjj s ILE 130 Cb -0.16 -3.82 -0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1jjj s ILE 130 CO -0.04 0.28 -0.23 -0.31 -0.10 0.00 0.00 174.94 174.54 1jjj s TYR 131 N 0.94 2.06 -0.14 3.97 1.51 -0.10 -1.27 117.35 124.32 1jjj s TYR 131 Ca 0.25 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1jjj s TYR 131 Cb -0.15 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1jjj s TYR 131 CO 0.10 -0.02 0.10 -1.21 -1.11 0.00 0.00 175.55 173.41 1jjj s GLU 132 N -0.62 3.64 -0.36 -0.62 2.02 0.02 -1.11 118.70 121.67 1jjj s GLU 132 Ca 0.09 -0.24 -0.29 0.00 0.02 0.00 0.00 54.97 54.55 1jjj s GLU 132 Cb -0.09 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1jjj s GLU 132 CO -0.01 0.56 1.28 0.21 0.02 0.00 0.00 175.26 177.33 1jjj s LYS 133 N -0.43 3.81 -0.66 1.61 2.20 -1.24 -0.93 119.74 124.10 1jjj s LYS 133 Ca 0.11 1.03 -0.09 0.00 -0.36 0.00 0.00 55.97 56.66 1jjj s LYS 133 Cb -0.12 -3.91 0.17 0.00 -1.51 0.00 0.00 37.83 32.47 1jjj s LYS 133 CO 0.02 -1.25 0.54 0.08 -0.36 0.00 0.00 175.35 174.38 1jjj s VAL 134 N 4.58 4.59 0.00 4.02 1.01 0.45 -5.01 120.40 130.05 1jjj s VAL 134 Ca 0.55 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1jjj s VAL 134 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1jjj s VAL 134 CO 0.26 -0.91 0.00 -0.62 0.00 0.00 0.00 175.10 173.83