#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lud s ALA 2 N 0.00 1.95 -0.18 2.41 0.00 0.11 0.23 121.76 126.27 1lud s ALA 2 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 1lud s ALA 2 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1lud s ALA 2 CO 0.00 0.29 0.05 -0.06 0.00 0.00 0.00 175.76 176.04 1lud s PHE 3 N -1.69 3.22 -0.38 0.00 0.40 0.10 0.15 117.98 119.78 1lud s PHE 3 Ca 0.12 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 1lud s PHE 3 Cb -0.07 -2.07 0.12 0.00 0.51 0.00 0.00 43.02 41.50 1lud s PHE 3 CO 0.06 0.10 0.17 -1.17 0.70 0.00 0.00 175.22 175.08 1lud s LEU 4 N 0.44 2.55 0.33 -0.37 2.96 -0.90 0.16 118.68 123.84 1lud s LEU 4 Ca 0.02 -2.19 0.04 0.00 -0.22 0.00 0.00 54.13 51.79 1lud s LEU 4 Cb -0.13 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 1lud s LEU 4 CO 0.01 -0.33 0.17 -1.66 -1.32 0.00 0.00 176.35 173.22 1lud s TRP 5 N 0.92 1.65 -0.04 5.38 -2.14 -0.20 -4.58 118.94 119.94 1lud s TRP 5 Ca 0.14 -1.40 0.03 0.00 2.66 0.00 0.00 56.10 57.52 1lud s TRP 5 Cb -0.21 -0.88 0.01 0.00 -3.10 0.00 0.00 33.47 29.28 1lud s TRP 5 CO -0.10 -0.54 -0.10 0.00 -2.66 0.00 0.00 176.95 173.54 1lud s ALA 6 N -3.52 1.02 0.03 2.67 0.00 -1.26 -2.20 121.76 118.51 1lud s ALA 6 Ca 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1lud s ALA 6 Cb 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1lud s ALA 6 CO 0.19 0.14 -0.01 1.14 0.00 0.00 0.00 175.76 177.21 1lud s GLN 7 N 0.37 0.44 0.00 0.00 1.03 0.39 -4.43 119.66 117.46 1lud s GLN 7 Ca -0.07 -0.81 0.00 0.00 0.04 0.00 0.00 55.36 54.52 1lud s GLN 7 Cb -0.11 0.16 0.00 0.00 0.03 0.00 0.00 33.01 33.08 1lud s GLN 7 CO 0.01 -0.08 0.00 -0.40 -2.54 0.00 0.00 175.29 172.28 1lud n ASP 8 N 1.04 0.00 -0.24 12.60 5.75 -1.23 -1.40 116.55 133.07 1lud n ASP 8 Ca -0.20 -0.73 -0.04 0.00 -0.01 0.00 0.00 54.79 53.81 1lud n ASP 8 Cb 0.57 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.73 1lud n ASP 8 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1lud h ARG 9 N 0.00 0.83 -0.15 0.11 -0.00 -1.37 -2.16 114.38 111.64 1lud h ARG 9 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 59.98 59.80 1lud h ARG 9 Cb 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 29.77 1lud h ARG 9 CO 0.00 0.55 -0.46 -0.44 -0.00 0.00 0.00 179.97 179.63 1lud h ASP 10 N 0.86 0.39 0.00 0.08 3.32 -1.91 -3.47 116.42 115.69 1lud h ASP 10 Ca 0.27 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1lud h ASP 10 Cb -0.01 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1lud h ASP 10 CO -0.09 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 1lud n GLY 11 N -0.01 1.01 3.89 2.75 0.00 -0.81 -5.02 105.19 107.00 1lud n GLY 11 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1lud n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lud s LEU 12 N 0.00 3.45 0.00 0.99 2.96 -1.26 -1.94 118.68 122.88 1lud s LEU 12 Ca 0.00 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1lud s LEU 12 Cb 0.00 -4.09 0.00 0.00 0.50 0.00 0.00 46.19 42.60 1lud s LEU 12 CO 0.00 -0.72 0.00 2.30 -1.32 0.00 0.00 176.35 176.61 1lud n ILE 13 N -2.47 0.00 0.00 6.68 -6.64 -1.11 -3.47 119.36 112.34 1lud n ILE 13 Ca 0.03 -0.07 0.00 0.00 -1.77 0.00 0.00 62.75 60.94 1lud n ILE 13 Cb 0.55 0.59 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 1lud n ILE 13 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1lud n GLY 14 N 0.48 4.31 3.03 3.28 0.00 -1.24 -4.93 105.19 110.13 1lud n GLY 14 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1lud n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lud s LYS 15 N -2.76 0.98 -1.23 1.61 2.20 -1.19 -3.98 119.74 115.37 1lud s LYS 15 Ca 0.00 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1lud s LYS 15 Cb 0.00 -0.93 -0.01 0.00 -1.51 0.00 0.00 37.83 35.38 1lud s LYS 15 CO 0.00 0.18 0.71 -0.25 -0.36 0.00 0.00 175.35 175.62 1lud n ASP 16 N 3.07 -3.21 0.00 1.43 8.00 -1.26 -3.72 116.55 120.85 1lud n ASP 16 Ca -0.16 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1lud n ASP 16 Cb 0.55 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 1lud n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lud n GLY 17 N -1.66 1.96 0.50 0.44 0.00 -1.26 -4.87 105.19 100.30 1lud n GLY 17 Ca -0.20 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1lud n GLY 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1lud n HIS 18 N 0.00 -1.80 -4.43 1.61 1.44 -1.24 -4.99 115.22 105.80 1lud n HIS 18 Ca 0.00 -0.08 -0.25 0.00 -2.01 0.00 0.00 57.72 55.38 1lud n HIS 18 Cb 0.00 -0.21 -0.09 0.00 0.12 0.00 0.00 29.99 29.81 1lud n HIS 18 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1lud s LEU 19 N 0.00 2.85 0.03 2.39 1.43 -1.26 -3.17 118.68 120.94 1lud s LEU 19 Ca 0.08 -1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 51.97 1lud s LEU 19 Cb -0.01 -1.20 -0.35 0.00 0.03 0.00 0.00 46.19 44.65 1lud s LEU 19 CO 0.07 -0.19 0.98 1.55 0.23 0.00 0.00 176.35 178.99 1lud h PRO 20 N 1.94 0.53 -5.69 1.29 0.14 -1.91 -3.46 132.00 124.85 1lud h PRO 20 Ca -0.42 -0.90 -0.67 0.00 0.14 0.00 0.00 66.00 64.15 1lud h PRO 20 Cb 1.25 0.34 -0.23 0.00 0.14 0.00 0.00 31.00 32.49 1lud h PRO 20 CO 0.67 1.43 -0.73 1.67 0.14 0.00 0.00 178.00 181.18 1lud s TRP 21 N -2.60 2.86 -0.66 1.56 -2.14 -1.26 -5.05 118.94 111.66 1lud s TRP 21 Ca -0.09 -0.34 -0.20 0.00 2.66 0.00 0.00 56.10 58.13 1lud s TRP 21 Cb 0.04 -1.80 0.10 0.00 -3.10 0.00 0.00 33.47 28.72 1lud s TRP 21 CO 0.94 0.02 0.83 -1.58 -2.66 0.00 0.00 176.95 174.49 1lud s HIS 22 N -0.11 2.94 -0.25 1.66 2.46 -1.26 -4.98 115.29 115.75 1lud s HIS 22 Ca -0.00 -0.93 -0.00 0.00 0.47 0.00 0.00 55.06 54.60 1lud s HIS 22 Cb -0.13 -4.12 0.07 0.00 -0.13 0.00 0.00 32.58 28.27 1lud s HIS 22 CO 0.03 -1.41 0.01 -1.17 -2.47 0.00 0.00 174.74 169.73 1lud s LEU 23 N 2.99 2.31 0.27 8.88 2.96 -1.26 -4.98 118.68 129.85 1lud s LEU 23 Ca 0.17 -1.25 0.02 0.00 -0.22 0.00 0.00 54.13 52.84 1lud s LEU 23 Cb -0.20 -1.00 0.38 0.00 0.50 0.00 0.00 46.19 45.87 1lud s LEU 23 CO 0.05 -0.30 1.71 1.55 -1.32 0.00 0.00 176.35 178.04 1lud h PRO 24 N 8.03 0.52 0.00 0.98 0.14 -1.98 -2.74 132.00 136.95 1lud h PRO 24 Ca -0.16 -0.20 -0.04 0.00 0.14 0.00 0.00 66.00 65.74 1lud h PRO 24 Cb 1.07 -0.03 -0.01 0.00 0.14 0.00 0.00 31.00 32.17 1lud h PRO 24 CO 0.41 0.73 -0.21 0.22 0.14 0.00 0.00 178.00 179.29 1lud h ASP 25 N 0.46 0.00 0.02 1.44 1.82 -1.96 -2.62 116.42 115.58 1lud h ASP 25 Ca 0.07 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.47 1lud h ASP 25 Cb 0.68 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.71 1lud h ASP 25 CO 0.05 0.21 -0.93 -0.78 -1.61 0.00 0.00 179.24 176.18 1lud h ASP 26 N 0.00 0.77 -0.74 2.28 3.58 -1.89 -2.96 116.42 117.45 1lud h ASP 26 Ca -0.00 -0.77 0.10 0.00 0.42 0.00 0.00 57.03 56.78 1lud h ASP 26 Cb 0.39 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.13 1lud h ASP 26 CO 0.03 1.44 0.38 -0.07 -2.88 0.00 0.00 179.24 178.14 1lud h LEU 27 N 0.18 0.51 -1.08 2.28 3.38 -1.36 0.12 115.31 119.34 1lud h LEU 27 Ca -0.12 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1lud h LEU 27 Cb 1.61 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 1lud h LEU 27 CO 0.18 0.28 0.49 0.45 0.09 0.00 0.00 178.44 179.94 1lud h HIS 28 N 0.64 1.09 -0.45 1.13 3.86 -1.50 -1.07 115.15 118.86 1lud h HIS 28 Ca 0.37 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.51 1lud h HIS 28 Cb 0.39 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1lud h HIS 28 CO -0.10 0.73 0.04 -0.92 0.86 0.00 0.00 177.93 178.54 1lud h TYR 29 N 1.14 0.75 -0.16 2.45 3.20 -0.68 0.77 116.97 124.45 1lud h TYR 29 Ca 0.30 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1lud h TYR 29 Cb -0.04 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1lud h TYR 29 CO 0.01 0.68 0.02 0.35 -1.64 0.00 0.00 178.16 177.57 1lud h PHE 30 N 0.68 0.29 0.61 -3.82 3.57 0.13 -0.32 116.94 118.08 1lud h PHE 30 Ca 0.14 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1lud h PHE 30 Cb 0.37 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.04 1lud h PHE 30 CO 0.02 0.46 -0.30 -0.09 -2.23 0.00 0.00 178.31 176.17 1lud h ARG 31 N 0.03 -0.80 -0.92 1.11 2.43 -1.02 -2.75 114.38 112.47 1lud h ARG 31 Ca 0.05 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.44 1lud h ARG 31 Cb 0.33 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 1lud h ARG 31 CO 0.01 -0.49 0.51 0.00 -1.51 0.00 0.00 179.97 178.49 1lud h ALA 32 N -0.95 1.46 0.00 2.80 0.00 -0.90 0.24 119.26 121.92 1lud h ALA 32 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lud h ALA 32 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lud h ALA 32 CO 0.14 -0.09 0.00 1.96 0.00 0.00 0.00 179.25 181.25 1lud h GLN 33 N 0.66 0.00 -0.15 0.00 1.08 -1.00 -2.94 115.11 112.76 1lud h GLN 33 Ca 0.52 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.64 1lud h GLN 33 Cb 0.79 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.17 1lud h GLN 33 CO -0.39 0.00 -0.37 0.25 -0.95 0.00 0.00 178.83 177.37 1lud n THR 34 N -2.65 2.34 -2.51 -0.54 -2.24 0.82 -4.92 114.28 104.59 1lud n THR 34 Ca 0.01 -3.13 -0.43 0.00 -2.27 0.00 0.00 64.05 58.23 1lud n THR 34 Cb 0.24 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1lud n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1lud s VAL 35 N -3.30 4.11 0.00 2.28 -7.23 -0.93 -3.05 120.40 112.27 1lud s VAL 35 Ca 0.41 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.73 1lud s VAL 35 Cb 0.38 -4.44 0.00 0.00 0.56 0.00 0.00 36.38 32.89 1lud s VAL 35 CO -0.04 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 1lud n GLY 36 N 4.85 0.53 3.40 2.32 0.00 -1.25 -5.04 105.19 109.99 1lud n GLY 36 Ca 0.14 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1lud n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lud s LYS 37 N -0.91 1.46 -0.06 1.61 1.02 -1.17 -4.39 119.74 117.29 1lud s LYS 37 Ca 0.00 -1.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.13 1lud s LYS 37 Cb 0.00 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1lud s LYS 37 CO 0.00 0.31 1.42 0.42 -0.92 0.00 0.00 175.35 176.59 1lud s ILE 38 N -2.17 3.84 -0.39 2.17 1.01 -1.04 -3.19 121.20 121.45 1lud s ILE 38 Ca 0.22 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.87 1lud s ILE 38 Cb -0.06 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.71 1lud s ILE 38 CO 0.10 -0.05 0.25 -0.32 0.00 0.00 0.00 174.94 174.91 1lud s MET 39 N 3.09 2.90 -0.33 2.79 1.75 0.71 -0.90 119.30 129.31 1lud s MET 39 Ca 0.64 -1.05 -0.19 0.00 -1.25 0.00 0.00 55.69 53.84 1lud s MET 39 Cb -0.29 -3.84 -0.01 0.00 2.84 0.00 0.00 34.83 33.54 1lud s MET 39 CO 0.24 -0.72 0.57 0.08 -0.65 0.00 0.00 175.02 174.54 1lud s VAL 40 N 1.61 4.98 -0.10 10.11 1.01 0.17 0.28 120.40 138.45 1lud s VAL 40 Ca 0.03 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1lud s VAL 40 Cb -0.19 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1lud s VAL 40 CO 0.08 -0.18 -0.13 0.68 0.00 0.00 0.00 175.10 175.55 1lud s VAL 41 N 2.50 1.34 0.70 2.92 -7.23 -0.59 0.32 120.40 120.37 1lud s VAL 41 Ca 0.22 -0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.69 1lud s VAL 41 Cb -0.15 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.56 1lud s VAL 41 CO 0.13 0.41 1.22 -0.83 -0.31 0.00 0.00 175.10 175.71 1lud s GLY 42 N 1.10 2.46 0.62 2.32 0.00 0.95 -1.59 107.32 113.19 1lud s GLY 42 Ca -0.05 0.93 0.27 0.00 0.00 0.00 0.00 44.72 45.87 1lud s GLY 42 CO -0.03 1.34 1.80 -0.09 0.00 0.00 0.00 173.10 176.12 1lud h ARG 43 N -0.02 0.00 -0.04 2.90 1.12 0.86 -0.13 114.38 119.07 1lud h ARG 43 Ca -0.48 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.31 1lud h ARG 43 Cb 1.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1lud h ARG 43 CO 0.51 0.00 -0.27 0.00 -3.11 0.00 0.00 179.97 177.10 1lud h ARG 44 N 0.00 0.26 -0.09 0.20 3.08 -1.88 -2.42 114.38 113.53 1lud h ARG 44 Ca 0.17 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1lud h ARG 44 Cb 1.24 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1lud h ARG 44 CO -0.00 0.88 -0.11 1.15 -1.07 0.00 0.00 179.97 180.82 1lud h THR 45 N -0.29 1.37 -0.90 2.04 2.02 -1.41 -2.35 112.91 113.39 1lud h THR 45 Ca -0.02 -1.30 0.14 0.00 0.77 0.00 0.00 66.41 66.00 1lud h THR 45 Cb 0.95 2.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.31 1lud h THR 45 CO 0.06 0.37 0.58 0.22 0.37 0.00 0.00 175.52 177.11 1lud h TYR 46 N -0.20 0.84 0.00 3.16 3.20 -1.31 0.86 116.97 123.52 1lud h TYR 46 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1lud h TYR 46 Cb 0.64 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1lud h TYR 46 CO 0.09 0.31 0.00 0.93 -1.64 0.00 0.00 178.16 177.85 1lud h GLU 47 N 0.71 0.00 0.00 1.82 5.08 -1.31 -3.14 114.58 117.74 1lud h GLU 47 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1lud h GLU 47 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1lud h GLU 47 CO -0.21 0.00 -1.83 -1.13 -1.00 0.00 0.00 179.01 174.83 1lud n SER 48 N -2.96 0.16 -4.57 1.42 3.41 0.14 -4.97 113.62 106.25 1lud n SER 48 Ca 0.03 -0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.10 1lud n SER 48 Cb 0.42 1.81 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 1lud n SER 48 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1lud n PHE 49 N -2.18 0.88 -0.06 7.33 3.72 0.25 -4.90 117.46 122.50 1lud n PHE 49 Ca -0.03 0.63 -0.05 0.00 -0.05 0.00 0.00 57.45 57.95 1lud n PHE 49 Cb 0.54 -2.19 -0.04 0.00 -0.94 0.00 0.00 39.48 36.86 1lud n PHE 49 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1lud h PRO 50 N 1.56 0.00 -3.40 -1.08 0.14 -1.90 -3.42 132.00 123.89 1lud h PRO 50 Ca -0.42 0.00 -0.66 0.00 0.14 0.00 0.00 66.00 65.07 1lud h PRO 50 Cb 1.35 0.00 -0.39 0.00 0.14 0.00 0.00 31.00 32.10 1lud h PRO 50 CO 0.57 0.26 -0.51 0.21 0.14 0.00 0.00 178.00 178.67 1lud s LYS 51 N -1.84 2.29 0.11 0.86 2.20 -1.26 -5.07 119.74 117.03 1lud s LYS 51 Ca -0.08 -2.73 0.09 0.00 -0.36 0.00 0.00 55.97 52.90 1lud s LYS 51 Cb 0.00 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1lud s LYS 51 CO 0.21 -1.16 -0.23 -0.98 -0.36 0.00 0.00 175.35 172.83 1lud s ARG 52 N -0.43 1.22 0.91 4.03 1.70 -1.26 -4.35 118.95 120.75 1lud s ARG 52 Ca 0.19 -1.20 -0.13 0.00 -0.47 0.00 0.00 55.73 54.11 1lud s ARG 52 Cb -0.21 -1.54 0.17 0.00 -0.57 0.00 0.00 34.95 32.81 1lud s ARG 52 CO -0.04 0.36 1.26 -1.25 -1.08 0.00 0.00 175.30 174.55 1lud s PRO 53 N -1.91 0.97 -0.35 3.89 0.04 -1.26 -5.09 135.00 131.28 1lud s PRO 53 Ca 0.09 -0.42 -0.21 0.00 0.04 0.00 0.00 61.00 60.49 1lud s PRO 53 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1lud s PRO 53 CO 0.05 -2.17 0.66 -0.51 0.04 0.00 0.00 177.00 175.07 1lud s LEU 54 N -5.75 4.23 0.87 -3.56 1.43 -1.26 -5.04 118.68 109.61 1lud s LEU 54 Ca 0.71 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 1lud s LEU 54 Cb -0.05 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1lud s LEU 54 CO 0.51 -0.61 0.41 -2.65 0.23 0.00 0.00 176.35 174.24 1lud n PRO 55 N 6.09 -0.07 -1.64 1.29 -0.01 -1.26 -2.15 135.00 137.25 1lud n PRO 55 Ca -0.01 0.02 -0.10 0.00 -0.01 0.00 0.00 63.50 63.40 1lud n PRO 55 Cb 0.48 -1.82 -0.03 0.00 -0.01 0.00 0.00 33.50 32.12 1lud n PRO 55 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1lud n GLU 56 N -1.21 -1.56 -3.90 -0.52 1.02 -1.26 -4.89 120.64 108.32 1lud n GLU 56 Ca 0.08 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.70 1lud n GLU 56 Cb 0.52 -4.89 -0.10 0.00 -0.02 0.00 0.00 31.44 26.95 1lud n GLU 56 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lud s ARG 57 N -3.52 0.49 -0.19 3.49 3.00 -0.91 -3.82 118.95 117.49 1lud s ARG 57 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 55.73 54.99 1lud s ARG 57 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 34.95 35.13 1lud s ARG 57 CO 0.00 -0.11 0.75 0.99 0.00 0.00 0.00 175.30 176.92 1lud s THR 58 N -1.66 4.93 -0.13 0.02 2.01 -1.19 -4.74 115.64 114.88 1lud s THR 58 Ca -0.13 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.34 1lud s THR 58 Cb -0.07 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1lud s THR 58 CO -0.00 0.05 -0.21 0.20 -0.69 0.00 0.00 174.62 173.97 1lud s ASN 59 N 1.19 2.99 -0.07 3.53 0.01 -1.26 -0.21 114.94 121.13 1lud s ASN 59 Ca 0.34 -0.57 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 1lud s ASN 59 Cb -0.16 -1.38 -0.00 0.00 0.41 0.00 0.00 41.25 40.12 1lud s ASN 59 CO 0.11 0.09 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.88 1lud s VAL 60 N 0.74 1.84 0.02 1.60 1.01 0.14 -1.26 120.40 124.48 1lud s VAL 60 Ca -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1lud s VAL 60 Cb -0.16 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1lud s VAL 60 CO 0.00 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.12 1lud s VAL 61 N 0.07 5.42 -0.16 2.92 1.01 -0.74 -1.54 120.40 127.38 1lud s VAL 61 Ca -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1lud s VAL 61 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1lud s VAL 61 CO 0.05 0.25 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 1lud s LEU 62 N -2.16 2.11 0.12 3.92 1.02 -0.62 -1.94 118.68 121.14 1lud s LEU 62 Ca 0.30 -0.63 -0.10 0.00 0.02 0.00 0.00 54.13 53.73 1lud s LEU 62 Cb -0.13 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.63 1lud s LEU 62 CO 0.22 0.04 0.25 0.28 0.02 0.00 0.00 176.35 177.16 1lud s THR 63 N 1.06 0.10 -2.85 5.49 -1.32 -1.00 0.14 115.64 117.27 1lud s THR 63 Ca -0.01 -1.19 0.25 0.00 -1.21 0.00 0.00 61.69 59.53 1lud s THR 63 Cb -0.14 -1.51 0.28 0.00 -1.51 0.00 0.00 72.50 69.61 1lud s THR 63 CO -0.08 -0.48 1.36 1.41 -2.21 0.00 0.00 174.62 174.63 1lud n HIS 64 N -0.14 0.06 -2.21 9.09 8.25 -1.26 -4.21 115.22 124.80 1lud n HIS 64 Ca -0.12 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.04 1lud n HIS 64 Cb 0.63 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.89 1lud n HIS 64 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1lud s GLN 65 N -1.94 1.12 0.00 -0.41 1.11 -1.26 -5.02 119.66 113.26 1lud s GLN 65 Ca 0.31 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 54.99 1lud s GLN 65 Cb 0.20 -2.06 0.00 0.00 -1.01 0.00 0.00 33.01 30.15 1lud s GLN 65 CO 0.31 -1.98 0.00 0.39 0.01 0.00 0.00 175.29 174.02 1lud n GLU 66 N -3.36 4.67 -0.72 2.91 -0.58 -1.26 -4.67 120.64 117.63 1lud n GLU 66 Ca 0.15 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.91 1lud n GLU 66 Cb 0.60 -0.55 0.28 0.00 -0.57 0.00 0.00 31.44 31.20 1lud n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1lud n ASP 67 N -0.96 4.16 -4.62 1.62 8.00 -1.26 -4.97 116.55 118.52 1lud n ASP 67 Ca 0.00 -3.19 -0.43 0.00 0.71 0.00 0.00 54.79 51.88 1lud n ASP 67 Cb 0.00 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1lud n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1lud s TYR 68 N -2.94 1.34 -0.51 1.24 5.04 -1.26 -4.92 117.35 115.33 1lud s TYR 68 Ca 0.48 0.29 -0.17 0.00 -2.44 0.00 0.00 57.07 55.23 1lud s TYR 68 Cb 0.39 -4.03 0.08 0.00 0.35 0.00 0.00 41.96 38.75 1lud s TYR 68 CO 0.10 -4.26 0.52 -0.65 -1.34 0.00 0.00 175.55 169.91 1lud s GLN 69 N 5.65 3.03 -0.51 4.97 -1.52 -1.26 -4.99 119.66 125.03 1lud s GLN 69 Ca 0.93 -1.28 0.03 0.00 -1.95 0.00 0.00 55.36 53.09 1lud s GLN 69 Cb -0.34 -4.17 0.14 0.00 -0.22 0.00 0.00 33.01 28.43 1lud s GLN 69 CO 0.36 -1.20 0.30 0.00 -0.25 0.00 0.00 175.29 174.50 1lud s ALA 70 N 2.05 2.77 -0.21 6.09 0.00 -1.26 -5.08 121.76 126.12 1lud s ALA 70 Ca 0.08 -3.03 -0.29 0.00 0.00 0.00 0.00 51.96 48.72 1lud s ALA 70 Cb -0.24 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1lud s ALA 70 CO 0.07 -2.05 1.13 -0.65 0.00 0.00 0.00 175.76 174.27 1lud s GLN 71 N -0.21 4.24 0.00 0.00 -0.21 -1.26 -3.09 119.66 119.13 1lud s GLN 71 Ca 0.20 1.48 0.00 0.00 0.02 0.00 0.00 55.36 57.05 1lud s GLN 71 Cb -0.19 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1lud s GLN 71 CO -0.04 -0.67 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 1lud n GLY 72 N 3.46 2.14 3.52 3.09 0.00 -1.26 -5.05 105.19 111.10 1lud n GLY 72 Ca 0.13 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1lud n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud s ALA 73 N -1.85 2.81 0.88 4.61 0.00 -1.18 -4.92 121.76 122.10 1lud s ALA 73 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1lud s ALA 73 Cb 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 23.12 22.26 1lud s ALA 73 CO 0.00 0.58 1.15 0.08 0.00 0.00 0.00 175.76 177.58 1lud s VAL 74 N -0.89 2.20 -0.06 0.00 1.01 -0.39 -4.74 120.40 117.53 1lud s VAL 74 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1lud s VAL 74 Cb -0.11 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.10 1lud s VAL 74 CO 0.05 -0.08 0.12 -0.69 0.00 0.00 0.00 175.10 174.49 1lud s VAL 75 N -2.58 -0.07 0.16 2.92 1.01 -1.26 -1.79 120.40 118.79 1lud s VAL 75 Ca 0.67 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.77 1lud s VAL 75 Cb -0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1lud s VAL 75 CO 0.56 0.08 0.27 0.68 0.00 0.00 0.00 175.10 176.70 1lud s VAL 76 N 1.24 0.07 -0.10 2.92 -7.23 -0.82 -4.94 120.40 111.55 1lud s VAL 76 Ca -0.08 -1.38 0.23 0.00 -1.81 0.00 0.00 61.98 58.94 1lud s VAL 76 Cb -0.12 -1.80 0.44 0.00 0.56 0.00 0.00 36.38 35.45 1lud s VAL 76 CO -0.05 -0.33 1.15 1.41 -0.31 0.00 0.00 175.10 176.97 1lud n HIS 77 N -0.20 0.38 -3.15 2.82 -0.00 -1.26 -2.37 115.22 111.45 1lud n HIS 77 Ca -0.08 -1.10 0.05 0.00 -0.00 0.00 0.00 57.72 56.59 1lud n HIS 77 Cb 0.63 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.99 30.50 1lud n HIS 77 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lud s ASP 78 N -2.56 -0.86 0.55 0.41 1.01 -1.26 -4.92 116.67 109.04 1lud s ASP 78 Ca 0.29 0.49 0.47 0.00 0.71 0.00 0.00 52.55 54.51 1lud s ASP 78 Cb 0.35 1.70 1.69 0.00 1.01 0.00 0.00 42.92 47.67 1lud s ASP 78 CO -0.12 -0.16 1.62 0.58 0.21 0.00 0.00 175.17 177.30 1lud h VAL 79 N 5.56 0.09 -0.63 -1.27 2.07 -1.99 0.71 116.25 120.79 1lud h VAL 79 Ca -0.16 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1lud h VAL 79 Cb 1.17 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1lud h VAL 79 CO 0.05 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.02 1lud h ALA 80 N 1.12 0.83 -0.20 1.67 0.00 -2.00 -1.24 119.26 119.44 1lud h ALA 80 Ca 0.87 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.73 1lud h ALA 80 Cb 3.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 21.04 1lud h ALA 80 CO -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 1lud h ALA 81 N 1.29 0.27 -0.78 0.00 0.00 0.03 -2.96 119.26 117.11 1lud h ALA 81 Ca 0.26 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1lud h ALA 81 Cb 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1lud h ALA 81 CO -0.12 0.02 0.45 0.28 0.00 0.00 0.00 179.25 179.88 1lud h VAL 82 N 0.11 0.94 -0.96 0.00 2.07 -1.36 -1.21 116.25 115.84 1lud h VAL 82 Ca 0.05 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1lud h VAL 82 Cb 0.45 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1lud h VAL 82 CO 0.02 0.14 0.63 -0.26 0.02 0.00 0.00 177.57 178.11 1lud h PHE 83 N 0.78 1.16 0.61 1.57 0.04 -1.13 -2.88 116.94 117.09 1lud h PHE 83 Ca 0.36 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 1lud h PHE 83 Cb 0.29 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1lud h PHE 83 CO -0.06 0.65 -0.39 0.00 -0.60 0.00 0.00 178.31 177.90 1lud h ALA 84 N 1.45 -0.99 -0.65 2.45 0.00 -1.06 -2.11 119.26 118.37 1lud h ALA 84 Ca 0.39 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1lud h ALA 84 Cb 0.06 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1lud h ALA 84 CO -0.13 -1.07 -0.42 -0.92 0.00 0.00 0.00 179.25 176.71 1lud h TYR 85 N -0.96 -1.22 -0.54 0.00 3.20 -1.34 0.30 116.97 116.43 1lud h TYR 85 Ca -0.07 0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1lud h TYR 85 Cb 0.78 0.62 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 1lud h TYR 85 CO -0.11 -0.41 0.25 0.00 -1.64 0.00 0.00 178.16 176.25 1lud h ALA 86 N 0.77 0.69 0.00 1.82 0.00 -1.46 0.39 119.26 121.47 1lud h ALA 86 Ca 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1lud h ALA 86 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1lud h ALA 86 CO -0.73 -0.11 -0.16 0.87 0.00 0.00 0.00 179.25 179.12 1lud h LYS 87 N 0.49 0.00 0.00 0.00 1.79 -0.29 -2.21 116.57 116.35 1lud h LYS 87 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1lud h LYS 87 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1lud h LYS 87 CO -0.19 0.16 -0.81 1.96 -1.08 0.00 0.00 179.45 179.49 1lud h GLN 88 N 0.00 0.00 -4.96 3.15 4.20 0.14 -3.44 115.11 114.19 1lud h GLN 88 Ca -0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 1lud h GLN 88 Cb 0.30 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.91 1lud h GLN 88 CO 0.02 0.00 -0.33 -1.01 -0.67 0.00 0.00 178.83 176.84 1lud s HIS 89 N -3.23 3.22 -2.07 2.96 3.76 0.12 -4.92 115.29 115.13 1lud s HIS 89 Ca 0.04 0.07 0.31 0.00 -0.15 0.00 0.00 55.06 55.33 1lud s HIS 89 Cb 0.12 -2.59 1.76 0.00 1.11 0.00 0.00 32.58 32.99 1lud s HIS 89 CO 0.76 -0.34 2.14 -0.35 -0.85 0.00 0.00 174.74 176.10 1lud n PRO 90 N 5.30 1.10 -0.15 8.40 -0.04 -1.26 -3.49 135.00 144.85 1lud n PRO 90 Ca -0.10 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1lud n PRO 90 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1lud n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lud n ASP 91 N -0.82 0.00 -3.43 3.54 8.00 -1.26 -5.01 116.55 117.57 1lud n ASP 91 Ca 0.23 -1.29 -0.16 0.00 0.71 0.00 0.00 54.79 54.27 1lud n ASP 91 Cb 0.15 -0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 1lud n ASP 91 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1lud s GLN 92 N 0.00 0.28 0.00 -1.24 0.74 -1.23 -4.75 119.66 113.46 1lud s GLN 92 Ca 0.00 0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.50 1lud s GLN 92 Cb 0.00 -0.85 0.00 0.00 1.10 0.00 0.00 33.01 33.26 1lud s GLN 92 CO 0.00 -0.83 0.00 0.39 -0.55 0.00 0.00 175.29 174.30 1lud n GLU 93 N 5.32 1.34 -3.62 1.67 1.02 -1.26 -4.47 120.64 120.65 1lud n GLU 93 Ca -0.04 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.71 1lud n GLU 93 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.79 1lud n GLU 93 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1lud s LEU 94 N 0.00 4.19 -0.11 -4.62 2.96 -1.26 -2.49 118.68 117.36 1lud s LEU 94 Ca 0.00 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1lud s LEU 94 Cb 0.00 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1lud s LEU 94 CO 0.00 -0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.93 1lud s VAL 95 N 1.66 1.98 0.22 1.68 1.01 -0.08 0.04 120.40 126.92 1lud s VAL 95 Ca 0.05 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1lud s VAL 95 Cb -0.17 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1lud s VAL 95 CO 0.08 0.54 0.66 -0.63 0.00 0.00 0.00 175.10 175.75 1lud s ILE 96 N 0.48 4.70 0.00 2.22 -1.09 0.40 -0.66 121.20 127.26 1lud s ILE 96 Ca -0.16 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 1lud s ILE 96 Cb -0.17 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1lud s ILE 96 CO 0.06 0.11 0.30 0.00 -1.23 0.00 0.00 174.94 174.18 1lud n ALA 97 N 0.43 1.67 0.00 9.38 0.00 0.15 -2.12 120.51 130.02 1lud n ALA 97 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1lud n ALA 97 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1lud n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lud n GLY 98 N 0.08 -1.83 0.00 0.00 0.00 -1.10 -4.89 105.19 97.45 1lud n GLY 98 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1lud n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lud n GLY 99 N 0.00 -0.72 0.35 -0.02 0.00 -1.26 -0.03 105.19 103.51 1lud n GLY 99 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 1lud n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud h ALA 100 N -2.00 1.10 -0.95 4.61 0.00 -1.93 -2.45 119.26 117.64 1lud h ALA 100 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1lud h ALA 100 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.40 1lud h ALA 100 CO 0.00 0.66 0.61 1.96 0.00 0.00 0.00 179.25 182.48 1lud h GLN 101 N 1.18 0.98 0.00 0.00 1.08 -1.97 -0.84 115.11 115.54 1lud h GLN 101 Ca 0.28 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.34 1lud h GLN 101 Cb 0.16 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1lud h GLN 101 CO -0.03 0.65 -0.38 0.82 -0.95 0.00 0.00 178.83 178.94 1lud h ILE 102 N 1.01 0.73 0.00 2.54 1.08 -1.68 -2.94 117.51 118.25 1lud h ILE 102 Ca 0.43 -1.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1lud h ILE 102 Cb 0.33 2.14 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1lud h ILE 102 CO -0.19 0.37 -0.00 -0.26 -0.69 0.00 0.00 178.15 177.38 1lud h PHE 103 N 0.00 0.00 0.08 1.37 0.04 -0.83 -2.82 116.94 114.77 1lud h PHE 103 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1lud h PHE 103 Cb 1.11 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.27 1lud h PHE 103 CO 0.00 0.00 -0.63 1.15 -0.60 0.00 0.00 178.31 178.23 1lud h THR 104 N 0.00 1.51 -0.13 -1.55 2.02 -1.28 -1.24 112.91 112.25 1lud h THR 104 Ca -0.00 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.71 1lud h THR 104 Cb 0.69 3.14 -0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1lud h THR 104 CO 0.00 0.65 -0.13 0.00 0.37 0.00 0.00 175.52 176.41 1lud h ALA 105 N -0.01 1.56 -0.01 6.16 0.00 -1.54 -3.08 119.26 122.33 1lud h ALA 105 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1lud h ALA 105 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1lud h ALA 105 CO 0.06 0.32 -0.41 1.19 0.00 0.00 0.00 179.25 180.41 1lud n PHE 106 N -4.29 0.00 -0.07 0.00 3.01 -1.07 -4.52 117.46 110.52 1lud n PHE 106 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 1lud n PHE 106 Cb 0.25 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.08 1lud n PHE 106 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1lud h LYS 107 N 1.84 0.68 -0.33 -1.08 2.10 -1.13 -2.51 116.57 116.15 1lud h LYS 107 Ca 0.00 -0.05 -0.15 0.00 -2.00 0.00 0.00 60.65 58.44 1lud h LYS 107 Cb 0.59 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1lud h LYS 107 CO 0.00 0.48 -0.40 0.22 -2.00 0.00 0.00 179.45 177.74 1lud h ASP 108 N 0.70 0.87 -3.71 7.07 1.82 -1.79 -3.35 116.42 118.02 1lud h ASP 108 Ca 0.19 -0.40 -0.75 0.00 -0.39 0.00 0.00 57.03 55.67 1lud h ASP 108 Cb -0.04 -0.25 -0.31 0.00 0.68 0.00 0.00 39.33 39.42 1lud h ASP 108 CO -0.04 1.17 0.04 -1.81 -1.61 0.00 0.00 179.24 176.99 1lud s ASP 109 N -6.85 6.38 0.24 2.28 1.11 -0.94 -5.04 116.67 113.84 1lud s ASP 109 Ca -0.10 -3.22 0.09 0.00 0.18 0.00 0.00 52.55 49.49 1lud s ASP 109 Cb 0.11 -2.06 -0.05 0.00 1.07 0.00 0.00 42.92 42.00 1lud s ASP 109 CO 0.86 -0.36 -0.14 -0.69 1.18 0.00 0.00 175.17 176.03 1lud s VAL 110 N -0.64 1.92 0.00 -1.27 1.01 -1.24 -4.33 120.40 115.85 1lud s VAL 110 Ca 0.23 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.97 1lud s VAL 110 Cb -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1lud s VAL 110 CO -0.08 -0.49 0.00 0.47 0.00 0.00 0.00 175.10 175.00 1lud n ASP 111 N -0.49 1.37 -3.91 3.32 9.92 0.62 -4.70 116.55 122.68 1lud n ASP 111 Ca -0.07 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.09 1lud n ASP 111 Cb 0.61 0.13 -0.12 0.00 -0.64 0.00 0.00 41.12 41.09 1lud n ASP 111 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1lud s THR 112 N -1.28 0.06 -0.11 -3.53 2.01 -1.08 -2.37 115.64 109.33 1lud s THR 112 Ca 0.00 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1lud s THR 112 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.35 1lud s THR 112 CO 0.00 -0.25 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.74 1lud s LEU 113 N -0.75 1.84 -0.24 4.42 1.43 -0.88 0.01 118.68 124.51 1lud s LEU 113 Ca -0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1lud s LEU 113 Cb -0.05 -1.18 0.06 0.00 0.03 0.00 0.00 46.19 45.05 1lud s LEU 113 CO -0.00 0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.78 1lud s LEU 114 N 0.82 2.97 -0.00 1.79 1.43 0.41 0.48 118.68 126.58 1lud s LEU 114 Ca -0.09 -1.26 0.04 0.00 -1.03 0.00 0.00 54.13 51.78 1lud s LEU 114 Cb -0.16 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1lud s LEU 114 CO 0.00 -0.21 -0.13 0.54 0.23 0.00 0.00 176.35 176.79 1lud s VAL 115 N 1.25 1.04 -0.30 -1.59 0.11 -0.33 -1.03 120.40 119.55 1lud s VAL 115 Ca -0.07 -0.62 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1lud s VAL 115 Cb -0.19 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1lud s VAL 115 CO -0.06 0.25 0.10 -0.89 -3.33 0.00 0.00 175.10 171.17 1lud s THR 116 N -0.38 4.08 -0.37 5.04 2.01 -0.93 -0.63 115.64 124.46 1lud s THR 116 Ca 0.05 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1lud s THR 116 Cb -0.05 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1lud s THR 116 CO -0.00 0.05 0.51 -0.13 -0.69 0.00 0.00 174.62 174.35 1lud s ARG 117 N 1.51 3.48 0.47 4.92 0.52 -0.67 -0.46 118.95 128.72 1lud s ARG 117 Ca 0.03 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 1lud s ARG 117 Cb -0.17 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.38 1lud s ARG 117 CO 0.03 -0.72 0.86 -0.51 0.02 0.00 0.00 175.30 174.98 1lud s LEU 118 N 2.39 3.68 0.16 2.53 1.02 -0.50 -1.83 118.68 126.13 1lud s LEU 118 Ca 0.18 1.25 0.13 0.00 0.02 0.00 0.00 54.13 55.70 1lud s LEU 118 Cb -0.16 -4.18 -0.08 0.00 0.02 0.00 0.00 46.19 41.79 1lud s LEU 118 CO 0.14 -0.53 1.21 0.00 0.02 0.00 0.00 176.35 177.19 1lud h ALA 119 N 0.85 0.58 -2.51 4.21 0.00 -1.48 -2.84 119.26 118.07 1lud h ALA 119 Ca -0.47 -0.76 -0.47 0.00 0.00 0.00 0.00 54.91 53.21 1lud h ALA 119 Cb 1.19 0.01 0.12 0.00 0.00 0.00 0.00 17.79 19.11 1lud h ALA 119 CO 0.63 0.96 0.34 0.20 0.00 0.00 0.00 179.25 181.38 1lud s GLY 120 N -4.66 1.59 -0.15 0.00 0.00 -1.17 -4.71 107.32 98.23 1lud s GLY 120 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1lud s GLY 120 CO 0.79 0.01 -0.12 -1.35 0.00 0.00 0.00 173.10 172.43 1lud s SER 121 N -4.16 2.66 0.30 1.64 1.04 -1.26 -2.92 113.70 111.01 1lud s SER 121 Ca 0.63 -0.50 0.09 0.00 0.48 0.00 0.00 55.95 56.64 1lud s SER 121 Cb -0.14 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 1lud s SER 121 CO 0.52 -0.09 0.07 -0.36 0.98 0.00 0.00 173.24 174.37 1lud s PHE 122 N 1.53 2.72 0.34 5.02 0.40 -1.26 -5.05 117.98 121.68 1lud s PHE 122 Ca 0.04 -0.29 0.09 0.00 -0.60 0.00 0.00 56.93 56.17 1lud s PHE 122 Cb -0.13 -1.41 -0.06 0.00 0.51 0.00 0.00 43.02 41.93 1lud s PHE 122 CO -0.10 0.49 -0.01 -1.83 0.70 0.00 0.00 175.22 174.48 1lud s GLU 123 N -3.76 2.03 0.00 0.44 1.03 -1.26 -4.84 118.70 112.34 1lud s GLU 123 Ca 0.34 -1.79 0.00 0.00 0.03 0.00 0.00 54.97 53.55 1lud s GLU 123 Cb -0.04 -1.88 0.00 0.00 -0.80 0.00 0.00 34.13 31.40 1lud s GLU 123 CO 0.21 0.13 0.00 0.41 -1.33 0.00 0.00 175.26 174.68 1lud n GLY 124 N -0.93 -0.77 0.00 -3.83 0.00 -1.26 -4.92 105.19 93.48 1lud n GLY 124 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1lud n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lud n ASP 125 N 0.00 0.15 -4.29 1.61 9.92 -1.26 -5.03 116.55 117.65 1lud n ASP 125 Ca 0.00 -0.11 -0.35 0.00 -0.53 0.00 0.00 54.79 53.81 1lud n ASP 125 Cb 0.00 0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 1lud n ASP 125 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1lud s THR 126 N -0.27 3.17 0.29 -3.53 2.01 -1.26 -5.10 115.64 110.95 1lud s THR 126 Ca 0.00 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1lud s THR 126 Cb 0.00 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 1lud s THR 126 CO 0.00 0.45 0.02 -0.54 -0.69 0.00 0.00 174.62 173.86 1lud s LYS 127 N 1.33 1.54 0.62 4.92 1.02 -1.26 -2.77 119.74 125.14 1lud s LYS 127 Ca 0.04 -1.82 -0.18 0.00 0.02 0.00 0.00 55.97 54.03 1lud s LYS 127 Cb -0.14 -0.85 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 1lud s LYS 127 CO -0.04 -0.12 1.24 1.41 -0.92 0.00 0.00 175.35 176.93 1lud s MET 128 N -3.85 2.78 0.96 1.68 1.75 -0.82 -4.82 119.30 116.98 1lud s MET 128 Ca 0.33 1.92 -0.13 0.00 -1.25 0.00 0.00 55.69 56.56 1lud s MET 128 Cb 0.07 -1.89 0.17 0.00 2.84 0.00 0.00 34.83 36.01 1lud s MET 128 CO 0.13 -1.38 1.13 0.96 -0.65 0.00 0.00 175.02 175.21 1lud s ILE 129 N -1.53 1.97 -0.71 10.11 -4.36 -1.26 -4.94 121.20 120.49 1lud s ILE 129 Ca 0.79 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.92 1lud s ILE 129 Cb -0.33 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1lud s ILE 129 CO 0.36 0.00 1.58 -2.16 0.24 0.00 0.00 174.94 174.96 1lud s PRO 130 N -5.24 2.93 0.36 0.37 0.05 -1.26 -5.01 135.00 127.19 1lud s PRO 130 Ca 0.65 0.09 -0.08 0.00 0.05 0.00 0.00 61.00 61.71 1lud s PRO 130 Cb -0.15 -4.38 -0.06 0.00 0.05 0.00 0.00 34.50 29.96 1lud s PRO 130 CO 0.54 -2.48 0.67 -0.51 0.05 0.00 0.00 177.00 175.28 1lud s LEU 131 N 7.40 3.93 -1.19 -3.56 1.43 -1.26 -5.00 118.68 120.43 1lud s LEU 131 Ca 0.52 0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 54.49 1lud s LEU 131 Cb -0.10 -3.80 0.23 0.00 0.03 0.00 0.00 46.19 42.56 1lud s LEU 131 CO 0.15 -0.31 1.76 0.59 0.23 0.00 0.00 176.35 178.77 1lud n ASN 132 N -1.16 6.01 -0.11 2.29 4.13 -1.26 -4.79 115.26 120.37 1lud n ASN 132 Ca 0.01 -3.27 0.26 0.00 1.68 0.00 0.00 54.58 53.25 1lud n ASN 132 Cb 0.54 -1.37 0.72 0.00 -1.54 0.00 0.00 39.78 38.13 1lud n ASN 132 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1lud h TRP 133 N 5.42 0.00 0.00 3.10 4.06 -1.94 0.42 115.95 127.01 1lud h TRP 133 Ca 0.35 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.27 1lud h TRP 133 Cb 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1lud h TRP 133 CO 1.19 0.00 -0.13 0.22 -3.56 0.00 0.00 178.44 176.16 1lud h ASP 134 N 0.00 0.00 0.30 -3.49 3.58 -2.04 -2.14 116.42 112.63 1lud h ASP 134 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1lud h ASP 134 Cb 1.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1lud h ASP 134 CO -0.00 0.13 -0.87 -0.67 -2.88 0.00 0.00 179.24 174.95 1lud n ASP 135 N -3.73 0.69 -4.66 2.28 -0.08 0.15 -4.93 116.55 106.27 1lud n ASP 135 Ca -0.02 -0.47 -0.24 0.00 -1.51 0.00 0.00 54.79 52.55 1lud n ASP 135 Cb 0.25 0.72 -0.08 0.00 2.34 0.00 0.00 41.12 44.34 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1lud s PHE 136 N -3.08 2.59 -0.03 -0.67 0.40 -0.81 -3.68 117.98 112.71 1lud s PHE 136 Ca 0.07 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1lud s PHE 136 Cb 0.16 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 42.17 1lud s PHE 136 CO 0.79 0.44 -0.01 0.99 0.70 0.00 0.00 175.22 178.13 1lud s THR 137 N -2.49 0.22 -0.05 0.64 2.01 -1.11 -4.84 115.64 110.01 1lud s THR 137 Ca 0.36 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1lud s THR 137 Cb -0.01 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 1lud s THR 137 CO 0.20 0.14 1.52 -0.75 -0.69 0.00 0.00 174.62 175.04 1lud s LYS 138 N 0.83 4.21 -0.00 4.92 2.20 -1.26 -1.84 119.74 128.81 1lud s LYS 138 Ca -0.09 2.05 0.19 0.00 -0.36 0.00 0.00 55.97 57.76 1lud s LYS 138 Cb -0.12 -3.82 -0.20 0.00 -1.51 0.00 0.00 37.83 32.18 1lud s LYS 138 CO -0.01 -0.75 0.59 1.33 -0.36 0.00 0.00 175.35 176.15 1lud n VAL 139 N 5.22 0.83 -3.80 4.02 0.24 0.21 -4.93 118.33 120.12 1lud n VAL 139 Ca 0.16 -0.66 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 1lud n VAL 139 Cb 0.43 -0.42 -0.12 0.00 -1.47 0.00 0.00 33.84 32.26 1lud n VAL 139 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1lud s SER 140 N -5.31 -0.21 -0.09 -1.34 0.01 -1.11 -5.01 113.70 100.64 1lud s SER 140 Ca -0.06 0.41 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 1lud s SER 140 Cb 0.10 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.78 1lud s SER 140 CO 0.84 -0.07 0.22 -0.94 0.41 0.00 0.00 173.24 173.69 1lud s SER 141 N 0.15 -0.22 -0.09 2.44 1.04 -1.26 -0.45 113.70 115.31 1lud s SER 141 Ca -0.00 0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1lud s SER 141 Cb -0.02 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1lud s SER 141 CO -0.00 -0.16 -0.13 -0.60 0.98 0.00 0.00 173.24 173.33 1lud s ARG 142 N 1.17 1.93 -0.17 4.02 6.06 -0.41 -4.95 118.95 126.61 1lud s ARG 142 Ca -0.09 -0.47 -0.06 0.00 -2.50 0.00 0.00 55.73 52.62 1lud s ARG 142 Cb -0.10 -1.65 -0.03 0.00 0.06 0.00 0.00 34.95 33.22 1lud s ARG 142 CO -0.07 -0.04 0.02 0.99 -2.50 0.00 0.00 175.30 173.70 1lud s THR 143 N 0.90 4.36 -0.05 4.11 2.01 -1.26 -0.24 115.64 125.47 1lud s THR 143 Ca -0.09 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1lud s THR 143 Cb -0.15 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.42 1lud s THR 143 CO 0.00 0.47 -0.11 0.54 -0.69 0.00 0.00 174.62 174.83 1lud s VAL 144 N 0.45 1.00 0.47 3.82 0.11 -0.92 -5.02 120.40 120.31 1lud s VAL 144 Ca 0.00 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 58.57 1lud s VAL 144 Cb -0.13 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1lud s VAL 144 CO 0.02 0.32 0.75 -1.83 -3.33 0.00 0.00 175.10 171.03 1lud s GLU 145 N 0.45 3.40 0.05 1.54 -1.05 -1.26 -2.85 118.70 118.98 1lud s GLU 145 Ca -0.09 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 1lud s GLU 145 Cb -0.13 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.10 1lud s GLU 145 CO 0.02 -0.23 -0.04 0.34 0.95 0.00 0.00 175.26 176.30 1lud s ASP 146 N -4.13 0.62 0.26 0.83 2.15 -1.26 -4.93 116.67 110.21 1lud s ASP 146 Ca 0.47 -0.83 0.15 0.00 0.43 0.00 0.00 52.55 52.77 1lud s ASP 146 Cb -0.10 0.13 0.82 0.00 -0.30 0.00 0.00 42.92 43.47 1lud s ASP 146 CO 0.43 -0.45 1.42 0.35 -0.17 0.00 0.00 175.17 176.75 1lud n THR 147 N 0.59 1.04 -4.12 1.71 -2.24 -1.26 -4.34 114.28 105.66 1lud n THR 147 Ca -0.17 0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 61.96 1lud n THR 147 Cb 0.59 -1.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.00 1lud n THR 147 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1lud s ASN 148 N -3.63 4.81 0.21 3.42 -0.87 -1.26 -5.00 114.94 112.61 1lud s ASN 148 Ca -0.02 -0.20 -0.15 0.00 -1.57 0.00 0.00 52.86 50.93 1lud s ASN 148 Cb 0.04 -1.82 0.22 0.00 -0.02 0.00 0.00 41.25 39.67 1lud s ASN 148 CO 0.14 0.08 1.62 -0.65 -2.57 0.00 0.00 177.10 175.72 1lud h PRO 149 N 7.38 -0.03 0.00 -0.60 0.10 -2.00 -0.94 132.00 135.91 1lud h PRO 149 Ca -0.35 0.00 -0.19 0.00 0.10 0.00 0.00 66.00 65.56 1lud h PRO 149 Cb 1.18 0.01 -0.03 0.00 0.10 0.00 0.00 31.00 32.26 1lud h PRO 149 CO 0.61 -0.02 -0.94 0.00 0.10 0.00 0.00 178.00 177.75 1lud h ALA 150 N 1.52 0.44 0.00 -0.75 0.00 -1.93 -3.22 119.26 115.32 1lud h ALA 150 Ca 0.29 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1lud h ALA 150 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lud h ALA 150 CO -0.65 1.14 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1lud n LEU 151 N -3.31 0.00 -4.76 0.00 4.77 -0.39 -3.02 117.00 110.29 1lud n LEU 151 Ca -0.01 0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 1lud n LEU 151 Cb 0.90 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.90 1lud n LEU 151 CO 0.46 -0.06 0.89 -0.89 -1.33 0.00 0.00 177.39 176.46 1lud s THR 152 N -2.21 2.72 0.13 -5.08 2.01 -0.99 -4.67 115.64 107.55 1lud s THR 152 Ca 0.18 0.54 -0.21 0.00 0.31 0.00 0.00 61.69 62.52 1lud s THR 152 Cb 0.09 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.38 1lud s THR 152 CO 0.18 -0.00 0.53 -1.38 -0.69 0.00 0.00 174.62 173.25 1lud s HIS 153 N -1.45 -0.42 0.09 4.92 -3.43 -1.13 -1.80 115.29 112.08 1lud s HIS 153 Ca 0.66 0.21 0.06 0.00 -0.80 0.00 0.00 55.06 55.19 1lud s HIS 153 Cb -0.33 0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 31.22 1lud s HIS 153 CO 0.40 -0.77 -0.17 0.99 -2.00 0.00 0.00 174.74 173.19 1lud s THR 154 N -3.59 1.36 -0.21 -5.38 2.01 -0.76 -2.17 115.64 106.90 1lud s THR 154 Ca 0.01 -1.44 -0.05 0.00 0.31 0.00 0.00 61.69 60.51 1lud s THR 154 Cb 0.00 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1lud s THR 154 CO -0.11 -0.18 0.01 -0.31 -0.69 0.00 0.00 174.62 173.33 1lud s TYR 155 N -1.33 3.05 -0.13 4.92 2.02 0.67 -1.67 117.35 124.89 1lud s TYR 155 Ca 0.02 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1lud s TYR 155 Cb -0.09 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1lud s TYR 155 CO 0.03 -0.26 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.33 1lud s GLU 156 N 1.09 3.08 -0.16 -0.62 2.02 0.20 -1.28 118.70 123.03 1lud s GLU 156 Ca 0.03 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.17 1lud s GLU 156 Cb -0.14 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1lud s GLU 156 CO 0.02 0.07 -0.14 0.08 0.02 0.00 0.00 175.26 175.32 1lud s VAL 157 N 0.61 2.83 0.35 2.63 1.01 0.40 -1.18 120.40 127.06 1lud s VAL 157 Ca -0.11 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1lud s VAL 157 Cb -0.16 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1lud s VAL 157 CO 0.03 0.51 0.06 0.26 0.00 0.00 0.00 175.10 175.96 1lud s TRP 158 N 0.77 2.59 0.01 5.22 0.52 0.18 0.67 118.94 128.91 1lud s TRP 158 Ca -0.05 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.64 1lud s TRP 158 Cb -0.15 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1lud s TRP 158 CO 0.01 0.42 -0.04 -0.65 0.02 0.00 0.00 176.95 176.70 1lud s GLN 159 N -3.77 0.35 0.06 4.98 -0.21 -0.76 -2.07 119.66 118.24 1lud s GLN 159 Ca 0.36 -0.33 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 1lud s GLN 159 Cb -0.00 -0.24 -0.05 0.00 1.00 0.00 0.00 33.01 33.72 1lud s GLN 159 CO 0.20 0.06 1.10 0.21 -2.12 0.00 0.00 175.29 174.74 1lud s LYS 160 N -0.59 4.51 0.53 2.91 2.20 -1.00 -2.74 119.74 125.56 1lud s LYS 160 Ca -0.03 1.63 0.09 0.00 -0.36 0.00 0.00 55.97 57.30 1lud s LYS 160 Cb -0.04 -3.38 0.06 0.00 -1.51 0.00 0.00 37.83 32.96 1lud s LYS 160 CO -0.00 -0.12 0.66 0.15 -0.36 0.00 0.00 175.35 175.68 1lud s LYS 161 N 0.80 2.43 0.00 4.03 -0.14 -1.24 -5.01 119.74 120.60 1lud s LYS 161 Ca 0.55 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.56 1lud s LYS 161 Cb -0.26 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.32 1lud s LYS 161 CO 0.30 -0.66 0.53 0.00 -0.76 0.00 0.00 175.35 174.76