#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tho h ASP 2 N 0.00 0.00 0.04 6.43 2.03 -2.02 -3.20 116.42 119.70 1tho h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1tho h ASP 2 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1tho h ASP 2 CO 0.00 0.38 -0.19 0.29 -1.03 0.00 0.00 179.24 178.69 1tho n LYS 3 N -3.75 1.54 -3.24 4.15 5.02 -1.26 -4.93 118.16 115.68 1tho n LYS 3 Ca -0.01 -1.14 -0.41 0.00 -2.02 0.00 0.00 58.31 54.73 1tho n LYS 3 Cb 0.46 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1tho n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1tho s ILE 4 N -2.25 5.02 0.10 -0.18 1.01 -1.21 -4.69 121.20 119.01 1tho s ILE 4 Ca 0.27 0.40 -0.31 0.00 0.00 0.00 0.00 60.65 61.01 1tho s ILE 4 Cb 0.20 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1tho s ILE 4 CO 0.43 -0.18 1.58 -0.63 0.00 0.00 0.00 174.94 176.15 1tho s ILE 5 N 2.38 2.95 -0.28 2.92 -1.09 -0.91 -4.86 121.20 122.32 1tho s ILE 5 Ca 0.19 0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 58.94 1tho s ILE 5 Cb -0.15 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1tho s ILE 5 CO 0.13 0.02 0.71 -2.28 -1.23 0.00 0.00 174.94 172.28 1tho s HIS 6 N 1.94 3.25 0.26 3.97 5.65 -1.26 -1.07 115.29 128.02 1tho s HIS 6 Ca 0.71 0.82 0.03 0.00 0.25 0.00 0.00 55.06 56.87 1tho s HIS 6 Cb -0.40 -3.01 -0.03 0.00 -1.18 0.00 0.00 32.58 27.95 1tho s HIS 6 CO 0.31 -0.44 0.41 -0.51 -0.65 0.00 0.00 174.74 173.87 1tho s LEU 7 N 2.71 4.22 0.31 8.88 1.43 -0.23 -4.94 118.68 131.06 1tho s LEU 7 Ca 0.29 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1tho s LEU 7 Cb -0.15 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1tho s LEU 7 CO 0.10 -0.13 0.08 0.42 0.23 0.00 0.00 176.35 177.06 1tho s THR 8 N -2.05 0.87 0.19 5.49 -4.23 -1.26 -4.57 115.64 110.08 1tho s THR 8 Ca 0.36 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1tho s THR 8 Cb -0.10 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.18 1tho s THR 8 CO 0.31 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.66 1tho h ASP 9 N 2.18 0.80 -0.58 3.99 3.32 -1.93 -0.71 116.42 123.50 1tho h ASP 9 Ca -0.39 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.63 1tho h ASP 9 Cb 1.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1tho h ASP 9 CO 0.65 0.63 0.39 0.44 -1.72 0.00 0.00 179.24 179.62 1tho h ASP 10 N 0.91 0.61 0.25 6.45 3.32 -2.02 -3.10 116.42 122.85 1tho h ASP 10 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1tho h ASP 10 Cb -0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1tho h ASP 10 CO -0.05 0.43 -1.48 -1.54 -1.72 0.00 0.00 179.24 174.88 1tho n SER 11 N -4.46 0.41 -0.19 6.45 3.41 -0.81 -4.45 113.62 113.97 1tho n SER 11 Ca 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1tho n SER 11 Cb 0.11 1.34 0.10 0.00 -0.26 0.00 0.00 64.21 65.50 1tho n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1tho h PHE 12 N 0.00 0.18 -0.47 7.33 3.04 -1.07 0.16 116.94 126.11 1tho h PHE 12 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 1tho h PHE 12 Cb 0.87 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1tho h PHE 12 CO 0.00 -0.04 0.22 0.22 -2.02 0.00 0.00 178.31 176.70 1tho h ASP 13 N 0.24 0.58 0.01 0.41 3.58 -1.78 0.11 116.42 119.58 1tho h ASP 13 Ca 0.30 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1tho h ASP 13 Cb 0.45 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1tho h ASP 13 CO -0.40 0.50 -0.04 0.74 -2.88 0.00 0.00 179.24 177.16 1tho h THR 14 N 0.65 1.75 -0.00 2.25 2.02 -1.59 -0.44 112.91 117.55 1tho h THR 14 Ca 0.16 -2.27 -0.15 0.00 0.77 0.00 0.00 66.41 64.92 1tho h THR 14 Cb 0.07 3.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 1tho h THR 14 CO -0.02 0.59 -0.72 0.44 0.37 0.00 0.00 175.52 176.18 1tho h ASP 15 N -0.93 0.02 0.00 4.18 3.32 -0.60 -3.30 116.42 119.11 1tho h ASP 15 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1tho h ASP 15 Cb 0.99 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1tho h ASP 15 CO 0.01 0.74 -0.56 0.52 -1.72 0.00 0.00 179.24 178.23 1tho n VAL 16 N -3.69 1.33 0.22 -1.35 0.31 0.38 -4.48 118.33 111.04 1tho n VAL 16 Ca -0.01 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.68 1tho n VAL 16 Cb 0.70 -1.94 0.43 0.00 -0.91 0.00 0.00 33.84 32.12 1tho n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1tho h LEU 17 N -0.48 0.00 -2.48 7.52 3.38 -1.25 -3.07 115.31 118.93 1tho h LEU 17 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tho h LEU 17 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1tho h LEU 17 CO -0.01 0.19 0.00 0.29 0.09 0.00 0.00 178.44 179.00 1tho n LYS 18 N -3.30 2.54 -2.97 1.13 4.01 -0.22 -3.69 118.16 115.66 1tho n LYS 18 Ca 0.01 -2.35 -0.33 0.00 -0.51 0.00 0.00 58.31 55.12 1tho n LYS 18 Cb 0.45 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.40 1tho n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1tho s ALA 19 N -1.27 3.19 0.26 7.82 0.00 -1.16 -5.02 121.76 125.58 1tho s ALA 19 Ca 0.40 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1tho s ALA 19 Cb 0.22 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1tho s ALA 19 CO 0.30 0.23 0.96 0.16 0.00 0.00 0.00 175.76 177.41 1tho s ASP 20 N -2.16 7.55 0.00 0.00 1.47 -1.26 -4.43 116.67 117.84 1tho s ASP 20 Ca 0.57 1.97 0.00 0.00 1.18 0.00 0.00 52.55 56.26 1tho s ASP 20 Cb -0.11 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1tho s ASP 20 CO 0.16 0.09 0.00 0.61 0.68 0.00 0.00 175.17 176.71 1tho n GLY 21 N 1.30 -1.51 3.89 2.12 0.00 -1.26 -4.91 105.19 104.82 1tho n GLY 21 Ca -0.01 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 1tho n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tho s ALA 22 N -1.15 3.90 -0.11 4.61 0.00 -1.26 -1.04 121.76 126.71 1tho s ALA 22 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1tho s ALA 22 Cb 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1tho s ALA 22 CO 0.00 0.68 0.27 -1.50 0.00 0.00 0.00 175.76 175.21 1tho s ILE 23 N -1.23 -0.02 -0.22 0.00 2.07 -0.07 -1.81 121.20 119.92 1tho s ILE 23 Ca 0.24 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.41 1tho s ILE 23 Cb -0.13 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1tho s ILE 23 CO 0.14 0.03 0.34 -0.22 -1.91 0.00 0.00 174.94 173.32 1tho s LEU 24 N 0.77 4.13 -0.17 8.50 2.96 0.27 -0.34 118.68 134.80 1tho s LEU 24 Ca -0.05 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1tho s LEU 24 Cb -0.06 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1tho s LEU 24 CO -0.05 -0.06 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.14 1tho s VAL 25 N 1.38 3.23 -0.35 1.68 1.01 -0.30 -0.51 120.40 126.55 1tho s VAL 25 Ca 0.16 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1tho s VAL 25 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1tho s VAL 25 CO 0.07 0.49 0.42 -0.62 0.00 0.00 0.00 175.10 175.46 1tho s ASP 26 N 0.77 6.23 -0.12 3.32 2.15 0.07 -1.43 116.67 127.66 1tho s ASP 26 Ca -0.04 -0.19 -0.21 0.00 0.43 0.00 0.00 52.55 52.54 1tho s ASP 26 Cb -0.15 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1tho s ASP 26 CO 0.01 -0.40 0.63 -0.36 -0.17 0.00 0.00 175.17 174.89 1tho s PHE 27 N 2.15 3.49 0.33 -5.34 0.40 -0.10 -0.53 117.98 118.37 1tho s PHE 27 Ca 0.14 1.06 -0.05 0.00 -0.60 0.00 0.00 56.93 57.48 1tho s PHE 27 Cb -0.16 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.62 1tho s PHE 27 CO 0.12 0.01 0.49 1.67 0.70 0.00 0.00 175.22 178.21 1tho s TRP 28 N 1.17 0.91 0.03 0.36 1.48 -0.53 -3.28 118.94 119.07 1tho s TRP 28 Ca 0.32 -1.19 -0.24 0.00 -1.06 0.00 0.00 56.10 53.93 1tho s TRP 28 Cb -0.16 0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.21 1tho s TRP 28 CO 0.14 -1.14 0.55 0.00 -4.06 0.00 0.00 176.95 172.44 1tho s ALA 29 N -3.14 -1.43 0.56 2.67 0.00 -1.26 -0.91 121.76 118.26 1tho s ALA 29 Ca 0.29 0.75 0.25 0.00 0.00 0.00 0.00 51.96 53.24 1tho s ALA 29 Cb -0.01 0.32 1.55 0.00 0.00 0.00 0.00 23.12 24.98 1tho s ALA 29 CO 0.18 -0.48 2.14 0.93 0.00 0.00 0.00 175.76 178.53 1tho h GLU 30 N 2.83 0.00 0.00 0.00 4.39 -2.01 -1.90 114.58 117.89 1tho h GLU 30 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1tho h GLU 30 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1tho h GLU 30 CO 0.40 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.58 1tho n TRP 31 N -4.10 0.09 -2.39 4.33 4.27 -1.26 -4.60 117.44 113.78 1tho n TRP 31 Ca 0.00 0.03 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 1tho n TRP 31 Cb 0.24 -0.55 -0.03 0.00 -1.36 0.00 0.00 31.31 29.61 1tho n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tho n GLY 33 N 3.33 0.57 0.31 0.00 0.00 -1.26 -4.70 105.19 103.45 1tho n GLY 33 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1tho n GLY 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1tho h ARG 33 N 0.00 -0.11 -0.99 1.61 9.65 -1.97 -2.43 114.38 120.14 1tho h ARG 33 Ca 0.00 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.01 1tho h ARG 33 Cb 0.00 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.52 1tho h ARG 33 CO 0.00 -0.08 0.62 -1.00 2.80 0.00 0.00 179.97 182.31 1tho h PRO 34 N -0.12 0.93 -0.38 0.20 0.13 -1.97 0.10 132.00 130.89 1tho h PRO 34 Ca 0.26 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.18 1tho h PRO 34 Cb 0.53 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1tho h PRO 34 CO -0.67 0.61 -0.36 0.00 -0.23 0.00 0.00 178.00 177.36 1tho h LYS 36 N 0.74 0.91 -0.39 0.00 1.57 -0.72 -2.85 116.57 115.83 1tho h LYS 36 Ca 0.07 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1tho h LYS 36 Cb 0.93 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1tho h LYS 36 CO 0.09 0.83 0.17 0.52 -0.57 0.00 0.00 179.45 180.49 1tho h MET 37 N 0.82 0.54 0.00 3.15 2.86 -0.87 -3.23 114.93 118.20 1tho h MET 37 Ca 0.18 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1tho h MET 37 Cb 0.32 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1tho h MET 37 CO -0.00 0.44 -1.37 0.44 1.06 0.00 0.00 176.91 177.48 1tho n ILE 38 N -4.40 0.74 -0.27 -1.22 -5.35 -1.14 -4.49 119.36 103.24 1tho n ILE 38 Ca 0.03 -0.60 0.03 0.00 -0.27 0.00 0.00 62.75 61.93 1tho n ILE 38 Cb 0.13 -0.42 0.16 0.00 -1.74 0.00 0.00 39.64 37.77 1tho n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tho h ALA 39 N 1.77 1.09 -0.92 -1.28 0.00 -1.52 -0.50 119.26 117.89 1tho h ALA 39 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tho h ALA 39 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1tho h ALA 39 CO 0.02 -0.01 0.56 -1.35 0.00 0.00 0.00 179.25 178.46 1tho h PRO 40 N 0.66 1.26 -0.36 0.00 0.11 -1.79 -3.05 132.00 128.82 1tho h PRO 40 Ca 0.38 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 1tho h PRO 40 Cb 0.41 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1tho h PRO 40 CO -0.28 0.88 0.05 0.82 -0.21 0.00 0.00 178.00 179.26 1tho h ILE 41 N 1.27 1.24 -0.73 4.15 2.04 -1.61 -2.76 117.51 121.12 1tho h ILE 41 Ca 0.33 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1tho h ILE 41 Cb -0.05 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1tho h ILE 41 CO -0.06 0.29 0.48 -0.07 0.00 0.00 0.00 178.15 178.79 1tho h LEU 42 N 0.44 0.68 -1.04 1.44 3.38 -1.02 -0.61 115.31 118.58 1tho h LEU 42 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1tho h LEU 42 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1tho h LEU 42 CO 0.01 0.44 0.31 0.44 0.09 0.00 0.00 178.44 179.72 1tho h ASP 43 N 0.77 0.90 0.10 -0.43 3.32 -1.40 -0.13 116.42 119.55 1tho h ASP 43 Ca 0.31 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1tho h ASP 43 Cb 0.25 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1tho h ASP 43 CO -0.10 0.78 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.82 1tho h GLU 44 N 0.98 -0.13 -0.79 3.56 5.08 -1.16 -2.60 114.58 119.51 1tho h GLU 44 Ca 0.24 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1tho h GLU 44 Cb 0.14 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1tho h GLU 44 CO -0.03 0.15 0.49 0.82 -1.00 0.00 0.00 179.01 179.44 1tho h ILE 45 N -0.41 1.05 -0.49 3.13 1.08 -0.77 0.54 117.51 121.64 1tho h ILE 45 Ca -0.01 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1tho h ILE 45 Cb 0.34 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1tho h ILE 45 CO 0.02 0.17 0.19 0.00 -0.69 0.00 0.00 178.15 177.84 1tho h ALA 46 N 1.37 1.42 0.56 1.87 0.00 -0.97 0.16 119.26 123.67 1tho h ALA 46 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1tho h ALA 46 Cb 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1tho h ALA 46 CO -0.15 0.44 -0.27 0.22 0.00 0.00 0.00 179.25 179.49 1tho h ASP 47 N 0.70 -0.64 -0.81 0.00 3.58 -1.00 -3.08 116.42 115.15 1tho h ASP 47 Ca 0.17 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.69 1tho h ASP 47 Cb 0.15 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1tho h ASP 47 CO -0.02 -0.24 0.53 -0.33 -2.88 0.00 0.00 179.24 176.30 1tho h GLU 48 N -1.17 0.84 -0.60 0.28 5.08 -0.63 -2.65 114.58 115.72 1tho h GLU 48 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1tho h GLU 48 Cb 0.60 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1tho h GLU 48 CO 0.13 0.55 0.00 0.66 -1.00 0.00 0.00 179.01 179.35 1tho n TYR 49 N -4.49 1.93 -1.51 4.33 4.02 0.53 -5.00 117.16 116.97 1tho n TYR 49 Ca 0.12 -0.70 -0.59 0.00 -0.01 0.00 0.00 57.90 56.72 1tho n TYR 49 Cb 0.24 -0.44 -0.08 0.00 -0.02 0.00 0.00 39.34 39.03 1tho n TYR 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1tho n GLN 50 N 0.76 0.00 0.00 -0.72 6.02 -1.00 -0.17 117.38 122.27 1tho n GLN 50 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1tho n GLN 50 Cb 1.12 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.98 1tho n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tho n GLY 51 N 2.45 2.48 0.08 1.08 0.00 -1.26 -4.67 105.19 105.35 1tho n GLY 51 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1tho n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tho h LYS 52 N 0.92 0.00 -1.91 1.61 6.56 -0.95 -3.50 116.57 119.30 1tho h LYS 52 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1tho h LYS 52 Cb 0.00 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.45 1tho h LYS 52 CO 0.00 0.46 0.24 -1.17 -2.06 0.00 0.00 179.45 176.92 1tho s LEU 53 N -6.04 -0.63 -0.12 2.94 2.96 -0.06 -4.54 118.68 113.18 1tho s LEU 53 Ca -0.04 0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1tho s LEU 53 Cb 0.08 2.37 -0.03 0.00 0.50 0.00 0.00 46.19 49.11 1tho s LEU 53 CO 0.82 -0.41 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.53 1tho s THR 54 N -0.52 4.12 -0.09 3.68 2.01 -0.75 -4.46 115.64 119.63 1tho s THR 54 Ca -0.05 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 1tho s THR 54 Cb -0.02 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1tho s THR 54 CO 0.04 0.54 0.13 -0.69 -0.69 0.00 0.00 174.62 173.96 1tho s VAL 55 N -0.20 5.34 0.02 3.82 1.01 -1.26 -0.57 120.40 128.56 1tho s VAL 55 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1tho s VAL 55 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1tho s VAL 55 CO 0.02 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.83 1tho s ALA 56 N -1.07 -0.32 0.02 5.51 0.00 0.34 -2.14 121.76 124.10 1tho s ALA 56 Ca 0.17 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1tho s ALA 56 Cb -0.12 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1tho s ALA 56 CO 0.07 -0.27 -0.23 0.15 0.00 0.00 0.00 175.76 175.48 1tho s LYS 57 N -1.86 2.00 -0.08 0.00 1.02 -0.24 -0.75 119.74 119.83 1tho s LYS 57 Ca -0.11 -1.00 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 1tho s LYS 57 Cb -0.05 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1tho s LYS 57 CO -0.01 0.54 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.77 1tho s LEU 58 N -1.14 0.87 -0.29 3.17 0.20 0.30 -1.06 118.68 120.73 1tho s LEU 58 Ca 0.12 -0.15 -0.26 0.00 0.69 0.00 0.00 54.13 54.54 1tho s LEU 58 Cb -0.10 -0.54 0.01 0.00 -0.43 0.00 0.00 46.19 45.12 1tho s LEU 58 CO 0.02 -0.15 0.90 0.21 -0.29 0.00 0.00 176.35 177.05 1tho s ASN 59 N 1.71 6.83 0.45 3.68 3.84 -1.26 -1.46 114.94 128.73 1tho s ASN 59 Ca 0.02 0.94 0.25 0.00 0.21 0.00 0.00 52.86 54.28 1tho s ASN 59 Cb -0.13 -2.47 0.86 0.00 -0.55 0.00 0.00 41.25 38.97 1tho s ASN 59 CO -0.05 -0.67 1.80 0.16 -2.79 0.00 0.00 177.10 175.55 1tho h ILE 60 N 5.58 0.40 0.02 -5.21 3.07 -1.21 -0.20 117.51 119.96 1tho h ILE 60 Ca -0.22 -1.08 -0.00 0.00 1.55 0.00 0.00 64.86 65.10 1tho h ILE 60 Cb 1.08 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1tho h ILE 60 CO 0.93 0.17 -0.01 0.44 -1.05 0.00 0.00 178.15 178.64 1tho h ASP 61 N 0.00 -0.03 0.39 2.16 3.32 -1.93 -3.05 116.42 117.29 1tho h ASP 61 Ca -0.00 -0.63 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 1tho h ASP 61 Cb 0.79 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1tho h ASP 61 CO 0.02 0.64 -0.43 1.56 -1.72 0.00 0.00 179.24 179.32 1tho h GLN 62 N -0.71 0.05 -3.16 3.56 4.20 -1.94 -3.37 115.11 113.75 1tho h GLN 62 Ca -0.00 -0.03 -0.62 0.00 0.06 0.00 0.00 58.65 58.06 1tho h GLN 62 Cb 0.66 -0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.03 1tho h GLN 62 CO 0.01 0.48 -0.69 -0.80 -0.67 0.00 0.00 178.83 177.15 1tho s ASN 63 N -6.90 3.96 0.06 1.46 0.01 -0.09 -4.97 114.94 108.47 1tho s ASN 63 Ca -0.03 -2.85 0.25 0.00 -0.71 0.00 0.00 52.86 49.52 1tho s ASN 63 Cb 0.14 -1.32 0.53 0.00 0.41 0.00 0.00 41.25 41.01 1tho s ASN 63 CO 0.74 -0.24 1.45 -0.81 -1.51 0.00 0.00 177.10 176.73 1tho n PRO 64 N 3.28 0.14 0.01 -0.60 -0.04 -1.16 -4.26 135.00 132.38 1tho n PRO 64 Ca 0.08 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1tho n PRO 64 Cb 0.34 -1.60 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 1tho n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tho n GLY 65 N 1.42 -1.33 0.10 0.55 0.00 -1.26 -4.46 105.19 100.21 1tho n GLY 65 Ca 0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1tho n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1tho h THR 66 N 0.00 1.25 -0.79 2.61 2.02 -1.96 -3.35 112.91 112.68 1tho h THR 66 Ca 0.00 -2.34 0.02 0.00 0.77 0.00 0.00 66.41 64.86 1tho h THR 66 Cb 0.52 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.70 1tho h THR 66 CO 0.00 0.57 0.51 0.00 0.37 0.00 0.00 175.52 176.98 1tho h ALA 67 N -0.14 1.03 -0.80 6.16 0.00 -1.84 -2.32 119.26 121.35 1tho h ALA 67 Ca -0.22 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.84 1tho h ALA 67 Cb 1.42 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1tho h ALA 67 CO -0.02 0.36 -0.01 -1.35 0.00 0.00 0.00 179.25 178.22 1tho h PRO 68 N 1.02 0.08 0.00 0.00 0.10 -1.79 0.09 132.00 131.50 1tho h PRO 68 Ca 0.31 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.40 1tho h PRO 68 Cb -0.04 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.04 1tho h PRO 68 CO -0.09 0.05 0.00 0.87 0.10 0.00 0.00 178.00 178.93 1tho h LYS 69 N 0.08 0.00 -0.02 1.05 1.57 -1.55 -2.67 116.57 115.03 1tho h LYS 69 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1tho h LYS 69 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1tho h LYS 69 CO -0.72 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.82 1tho n TYR 70 N -2.39 0.02 -2.06 -1.35 4.01 -0.58 -5.03 117.16 109.78 1tho n TYR 70 Ca 0.01 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 1tho n TYR 70 Cb 0.21 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1tho n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tho n GLY 71 N 0.28 0.19 3.72 2.72 0.00 -0.09 -4.98 105.19 107.03 1tho n GLY 71 Ca 0.03 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1tho n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tho s ILE 72 N -2.24 3.83 -0.18 -0.61 1.01 -1.00 -4.89 121.20 117.11 1tho s ILE 72 Ca 0.00 1.35 -0.16 0.00 0.00 0.00 0.00 60.65 61.84 1tho s ILE 72 Cb 0.00 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1tho s ILE 72 CO 0.00 0.13 -0.33 0.54 0.00 0.00 0.00 174.94 175.28 1tho n ARG 73 N 3.68 0.50 -4.29 2.79 5.12 -1.26 -4.76 116.66 118.45 1tho n ARG 73 Ca 0.09 0.20 -0.25 0.00 -1.93 0.00 0.00 57.85 55.96 1tho n ARG 73 Cb 0.45 -1.37 -0.08 0.00 -1.16 0.00 0.00 32.46 30.30 1tho n ARG 73 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1tho s GLY 74 N -4.97 2.10 0.11 -0.13 0.00 -1.26 -5.14 107.32 98.04 1tho s GLY 74 Ca -0.29 -1.98 0.09 0.00 0.00 0.00 0.00 44.72 42.55 1tho s GLY 74 CO 0.41 -1.89 -0.21 -0.26 0.00 0.00 0.00 173.10 171.15 1tho s ILE 75 N -2.52 2.65 0.32 0.90 -4.36 -1.26 -3.91 121.20 113.01 1tho s ILE 75 Ca 0.36 -1.56 -0.28 0.00 -0.26 0.00 0.00 60.65 58.91 1tho s ILE 75 Cb 0.01 -2.20 -0.09 0.00 1.25 0.00 0.00 42.46 41.43 1tho s ILE 75 CO 0.20 0.12 1.15 -2.16 0.24 0.00 0.00 174.94 174.49 1tho s PRO 76 N -2.05 4.46 -0.01 0.37 0.04 -1.26 -4.76 135.00 131.79 1tho s PRO 76 Ca 0.16 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.13 1tho s PRO 76 Cb -0.10 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1tho s PRO 76 CO 0.08 0.03 -0.19 0.99 0.04 0.00 0.00 177.00 177.95 1tho s THR 77 N -1.23 1.50 -0.18 1.26 2.01 -1.21 -0.06 115.64 117.73 1tho s THR 77 Ca 0.48 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1tho s THR 77 Cb -0.33 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 70.94 1tho s THR 77 CO 0.42 0.41 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.83 1tho s LEU 78 N -0.48 2.32 -0.14 4.42 1.43 -0.19 -0.92 118.68 125.11 1tho s LEU 78 Ca 0.07 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1tho s LEU 78 Cb -0.07 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1tho s LEU 78 CO -0.01 0.02 -0.06 -0.76 0.23 0.00 0.00 176.35 175.77 1tho s LEU 79 N 1.17 3.11 -0.24 1.79 1.43 -0.51 -1.41 118.68 124.02 1tho s LEU 79 Ca 0.02 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1tho s LEU 79 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1tho s LEU 79 CO -0.08 0.18 0.32 -0.22 0.23 0.00 0.00 176.35 176.78 1tho s LEU 80 N 0.28 4.10 -0.12 1.79 2.96 -0.38 -1.15 118.68 126.17 1tho s LEU 80 Ca -0.05 0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1tho s LEU 80 Cb -0.14 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1tho s LEU 80 CO 0.04 -0.08 0.01 -0.36 -1.32 0.00 0.00 176.35 174.64 1tho s PHE 81 N 1.54 3.17 -0.21 5.38 0.40 0.54 0.26 117.98 129.06 1tho s PHE 81 Ca 0.14 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1tho s PHE 81 Cb -0.15 -1.88 0.05 0.00 0.51 0.00 0.00 43.02 41.55 1tho s PHE 81 CO 0.08 0.33 -0.06 0.15 0.70 0.00 0.00 175.22 176.42 1tho s LYS 82 N -0.43 1.61 -1.18 0.44 1.02 -0.24 -0.89 119.74 120.07 1tho s LYS 82 Ca 0.08 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 1tho s LYS 82 Cb -0.12 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1tho s LYS 82 CO 0.02 -0.52 0.79 0.09 -0.92 0.00 0.00 175.35 174.81 1tho n ASN 83 N 4.75 -4.11 0.00 2.83 3.02 -0.21 -1.49 115.26 120.05 1tho n ASN 83 Ca -0.12 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1tho n ASN 83 Cb 0.46 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1tho n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tho n GLY 84 N -1.54 2.65 3.45 7.41 0.00 -1.24 -5.03 105.19 110.88 1tho n GLY 84 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1tho n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tho s GLU 85 N -0.39 1.75 -0.07 1.61 0.41 -0.56 -4.92 118.70 116.54 1tho s GLU 85 Ca 0.00 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.09 1tho s GLU 85 Cb 0.00 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1tho s GLU 85 CO 0.00 0.49 1.47 0.08 -0.49 0.00 0.00 175.26 176.80 1tho s VAL 86 N -1.06 3.83 -0.10 2.63 1.01 -1.26 -1.08 120.40 124.37 1tho s VAL 86 Ca 0.16 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1tho s VAL 86 Cb -0.10 -3.69 -0.25 0.00 0.00 0.00 0.00 36.38 32.34 1tho s VAL 86 CO 0.08 -0.07 0.45 0.00 0.00 0.00 0.00 175.10 175.56 1tho n ALA 87 N 6.51 1.16 -3.60 5.51 0.00 0.14 -4.91 120.51 125.31 1tho n ALA 87 Ca 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.86 1tho n ALA 87 Cb 0.44 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1tho n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tho s ALA 88 N -2.57 -2.03 0.02 0.00 0.00 -1.20 -5.01 121.76 110.97 1tho s ALA 88 Ca -0.15 1.14 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1tho s ALA 88 Cb 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1tho s ALA 88 CO 0.79 -0.76 -0.06 0.99 0.00 0.00 0.00 175.76 176.72 1tho s THR 89 N -2.63 0.43 -0.05 0.00 2.01 -1.26 -1.24 115.64 112.90 1tho s THR 89 Ca 0.10 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1tho s THR 89 Cb 0.00 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.11 1tho s THR 89 CO -0.05 -0.12 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.21 1tho s LYS 90 N -0.76 0.67 -0.01 4.92 -0.14 -0.50 -5.00 119.74 118.92 1tho s LYS 90 Ca -0.04 -0.01 0.02 0.00 -1.36 0.00 0.00 55.97 54.59 1tho s LYS 90 Cb -0.05 -0.82 -0.03 0.00 -1.68 0.00 0.00 37.83 35.24 1tho s LYS 90 CO 0.00 -0.16 -0.06 0.08 -0.76 0.00 0.00 175.35 174.45 1tho s VAL 91 N 1.27 3.75 0.03 3.17 1.01 -1.26 -1.03 120.40 127.34 1tho s VAL 91 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1tho s VAL 91 Cb -0.14 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1tho s VAL 91 CO -0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1tho n GLY 92 N 1.68 -1.33 3.77 4.51 0.00 0.91 -4.92 105.19 109.80 1tho n GLY 92 Ca -0.16 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1tho n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tho s ALA 93 N -1.11 3.28 0.18 4.61 0.00 -1.26 -4.77 121.76 122.69 1tho s ALA 93 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 1tho s ALA 93 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1tho s ALA 93 CO 0.00 -0.07 0.36 -0.48 0.00 0.00 0.00 175.76 175.57 1tho s LEU 94 N -1.81 0.67 0.73 0.00 2.34 -1.26 -5.12 118.68 114.24 1tho s LEU 94 Ca 0.48 -0.78 -0.11 0.00 0.06 0.00 0.00 54.13 53.78 1tho s LEU 94 Cb -0.26 1.48 0.04 0.00 -0.56 0.00 0.00 46.19 46.88 1tho s LEU 94 CO 0.34 -0.96 1.11 -0.94 -1.06 0.00 0.00 176.35 174.84 1tho s SER 95 N -2.95 5.13 0.21 1.48 1.04 -1.26 -4.82 113.70 112.53 1tho s SER 95 Ca 0.16 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.49 1tho s SER 95 Cb 0.02 -1.68 0.15 0.00 0.10 0.00 0.00 66.02 64.61 1tho s SER 95 CO 0.00 -1.52 1.69 0.50 0.98 0.00 0.00 173.24 174.90 1tho h LYS 96 N -0.76 1.02 -0.02 4.02 3.64 -1.98 0.20 116.57 122.70 1tho h LYS 96 Ca -0.45 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1tho h LYS 96 Cb 1.28 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1tho h LYS 96 CO 0.64 0.98 -0.00 0.78 -2.27 0.00 0.00 179.45 179.58 1tho h GLY 97 N 1.01 0.05 2.00 5.01 0.00 -1.98 0.25 103.07 109.41 1tho h GLY 97 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1tho h GLY 97 CO 0.02 0.03 -0.01 0.06 0.00 0.00 0.00 176.54 176.64 1tho h GLN 98 N -0.26 0.00 -0.32 4.80 3.07 -1.89 -1.75 115.11 118.76 1tho h GLN 98 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.58 1tho h GLN 98 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 1tho h GLN 98 CO 0.00 0.01 -0.47 1.25 0.09 0.00 0.00 178.83 179.72 1tho h LEU 99 N 0.00 0.94 -1.57 0.06 5.85 -0.13 -1.82 115.31 118.63 1tho h LEU 99 Ca -0.00 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1tho h LEU 99 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tho h LEU 99 CO 0.00 1.25 0.04 0.11 -0.34 0.00 0.00 178.44 179.50 1tho h LYS 100 N 0.68 0.31 -0.06 1.25 1.57 -0.21 -1.32 116.57 118.79 1tho h LYS 100 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1tho h LYS 100 Cb 1.06 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1tho h LYS 100 CO 0.11 0.31 -0.00 0.93 -0.57 0.00 0.00 179.45 180.22 1tho h GLU 101 N 0.31 0.11 -0.27 3.15 5.08 -0.91 -0.48 114.58 121.56 1tho h GLU 101 Ca 0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1tho h GLU 101 Cb 0.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1tho h GLU 101 CO -0.00 0.39 0.07 0.35 -1.00 0.00 0.00 179.01 178.82 1tho h PHE 102 N -0.18 0.13 -0.33 4.33 3.57 -0.86 -2.04 116.94 121.55 1tho h PHE 102 Ca 0.02 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1tho h PHE 102 Cb 0.34 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1tho h PHE 102 CO 0.03 0.05 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.68 1tho h LEU 103 N 0.18 0.86 -0.48 0.59 3.38 -1.19 -3.10 115.31 115.55 1tho h LEU 103 Ca 0.12 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1tho h LEU 103 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1tho h LEU 103 CO -0.15 1.16 0.15 0.44 0.09 0.00 0.00 178.44 180.13 1tho h ASP 104 N 0.66 0.70 0.00 -0.43 3.32 -0.90 -2.14 116.42 117.63 1tho h ASP 104 Ca 0.05 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1tho h ASP 104 Cb 0.97 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1tho h ASP 104 CO 0.09 0.72 -0.00 0.00 -1.72 0.00 0.00 179.24 178.33 1tho h ALA 105 N 1.01 1.18 -0.01 3.45 0.00 -1.36 -2.99 119.26 120.54 1tho h ALA 105 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1tho h ALA 105 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1tho h ALA 105 CO -0.00 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.27 1tho n ASN 106 N -3.34 1.45 -2.12 0.00 3.02 -1.07 -4.43 115.26 108.77 1tho n ASN 106 Ca -0.03 -1.23 -0.28 0.00 -0.03 0.00 0.00 54.58 53.01 1tho n ASN 106 Cb 0.07 0.19 0.06 0.00 -0.61 0.00 0.00 39.78 39.50 1tho n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1tho n LEU 107 N 0.16 6.15 0.00 3.41 4.32 -0.83 -5.06 117.00 125.15 1tho n LEU 107 Ca 0.04 -4.49 0.00 0.00 -0.02 0.00 0.00 56.01 51.55 1tho n LEU 107 Cb 0.20 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 1tho n LEU 107 CO 0.07 1.77 0.08 0.00 -1.22 0.00 0.00 177.39 178.09