#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 1.81 -0.16 2.41 0.00 -0.21 0.16 121.76 125.77 1lud s ALA 2 Ca 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.56 1lud s ALA 2 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1lud s ALA 2 CO 0.00 0.26 0.05 -0.06 0.00 0.00 0.00 175.76 176.01 1lud s PHE 3 N -1.66 3.25 -0.39 0.00 0.40 0.26 0.84 117.98 120.67 1lud s PHE 3 Ca 0.10 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1lud s PHE 3 Cb -0.08 -2.00 0.13 0.00 0.51 0.00 0.00 43.02 41.58 1lud s PHE 3 CO 0.05 0.25 0.20 -1.17 0.70 0.00 0.00 175.22 175.24 1lud s LEU 4 N 0.02 2.23 -0.01 -0.37 2.96 -0.90 0.17 118.68 122.79 1lud s LEU 4 Ca 0.05 -2.29 0.01 0.00 -0.22 0.00 0.00 54.13 51.67 1lud s LEU 4 Cb -0.12 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1lud s LEU 4 CO 0.01 -0.31 -0.02 -1.66 -1.32 0.00 0.00 176.35 173.05 1lud s TRP 5 N 0.81 0.25 -0.23 5.38 -2.14 -0.51 -4.59 118.94 117.91 1lud s TRP 5 Ca 0.16 -0.03 -0.12 0.00 2.66 0.00 0.00 56.10 58.76 1lud s TRP 5 Cb -0.22 -0.20 -0.05 0.00 -3.10 0.00 0.00 33.47 29.90 1lud s TRP 5 CO -0.06 -0.03 0.25 0.00 -2.66 0.00 0.00 176.95 174.45 1lud s ALA 6 N 0.14 3.59 0.24 2.67 0.00 -1.26 -2.37 121.76 124.76 1lud s ALA 6 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1lud s ALA 6 Cb -0.03 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1lud s ALA 6 CO -0.00 -0.29 -0.14 1.14 0.00 0.00 0.00 175.76 176.46 1lud s GLN 7 N 1.27 1.45 0.00 0.00 -2.07 0.19 -4.64 119.66 115.86 1lud s GLN 7 Ca 0.11 -1.67 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 1lud s GLN 7 Cb -0.14 -1.27 0.00 0.00 -1.09 0.00 0.00 33.01 30.50 1lud s GLN 7 CO 0.06 0.19 0.00 -0.40 -1.32 0.00 0.00 175.29 173.82 1lud n ASP 8 N -0.47 0.00 -0.29 12.60 5.68 -1.20 -1.86 116.55 131.01 1lud n ASP 8 Ca -0.07 -0.88 -0.02 0.00 -0.50 0.00 0.00 54.79 53.31 1lud n ASP 8 Cb 0.61 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.68 1lud n ASP 8 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1lud h ARG 9 N 0.00 0.98 0.00 0.11 -0.00 -1.58 -2.04 114.38 111.86 1lud h ARG 9 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.98 59.79 1lud h ARG 9 Cb 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 29.73 1lud h ARG 9 CO 0.00 0.65 -0.63 -0.44 -0.00 0.00 0.00 179.97 179.55 1lud h ASP 10 N 1.01 0.00 0.00 0.08 3.32 -1.91 -3.47 116.42 115.45 1lud h ASP 10 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1lud h ASP 10 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1lud h ASP 10 CO -0.11 0.63 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1lud n GLY 11 N 0.36 1.08 3.90 2.75 0.00 -0.77 -5.05 105.19 107.46 1lud n GLY 11 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 3.67 0.00 0.99 2.96 -1.26 -2.86 118.68 122.17 1lud s LEU 12 Ca 0.00 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1lud s LEU 12 Cb 0.00 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.80 1lud s LEU 12 CO 0.00 -0.55 0.01 2.30 -1.32 0.00 0.00 176.35 176.79 1lud n ILE 13 N -2.11 0.00 0.00 6.68 -5.35 -0.99 -3.24 119.36 114.35 1lud n ILE 13 Ca 0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1lud n ILE 13 Cb 0.55 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1lud n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lud n GLY 14 N 0.50 4.31 3.12 3.28 0.00 -1.23 -4.83 105.19 110.34 1lud n GLY 14 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.96 2.08 -1.31 1.61 2.36 -1.23 -3.71 119.74 116.58 1lud s LYS 15 Ca 0.00 -0.61 -0.02 0.00 -2.55 0.00 0.00 55.97 52.78 1lud s LYS 15 Cb 0.00 -1.70 0.01 0.00 -1.05 0.00 0.00 37.83 35.09 1lud s LYS 15 CO 0.00 0.16 0.86 -0.25 1.55 0.00 0.00 175.35 177.67 1lud n ASP 16 N 3.47 -2.27 0.00 1.43 8.00 -1.26 -3.79 116.55 122.13 1lud n ASP 16 Ca -0.20 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1lud n ASP 16 Cb 0.52 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 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 -1.50 2.31 3.72 0.44 0.00 -1.26 -4.91 105.19 104.00 1lud n GLY 17 Ca -0.23 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1lud n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1lud s HIS 18 N 0.00 2.92 1.00 1.61 -3.43 -1.25 -4.95 115.29 111.20 1lud s HIS 18 Ca 0.00 0.50 -0.14 0.00 -0.80 0.00 0.00 55.06 54.62 1lud s HIS 18 Cb 0.00 -4.07 0.08 0.00 -1.43 0.00 0.00 32.58 27.16 1lud s HIS 18 CO 0.00 -3.94 0.43 1.28 -2.00 0.00 0.00 174.74 170.51 1lud n LEU 19 N 3.65 -0.37 0.04 5.38 4.77 -1.26 -3.52 117.00 125.68 1lud n LEU 19 Ca 0.14 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1lud n LEU 19 Cb 0.36 -1.18 -0.13 0.00 -2.33 0.00 0.00 43.42 40.14 1lud n LEU 19 CO 0.63 -3.33 -0.21 1.55 -1.33 0.00 0.00 177.39 174.70 1lud h PRO 20 N -1.79 0.08 -6.55 3.23 0.14 -1.88 -3.44 132.00 121.79 1lud h PRO 20 Ca -0.47 -0.14 -0.69 0.00 0.14 0.00 0.00 66.00 64.84 1lud h PRO 20 Cb 1.30 0.05 -0.26 0.00 0.14 0.00 0.00 31.00 32.23 1lud h PRO 20 CO 0.37 0.89 -0.84 1.67 0.14 0.00 0.00 178.00 180.22 1lud s TRP 21 N -2.65 2.46 -0.67 1.56 -2.14 -1.26 -5.03 118.94 111.21 1lud s TRP 21 Ca -0.04 -0.33 -0.18 0.00 2.66 0.00 0.00 56.10 58.21 1lud s TRP 21 Cb 0.08 -1.51 0.13 0.00 -3.10 0.00 0.00 33.47 29.08 1lud s TRP 21 CO 0.83 0.10 0.75 -1.58 -2.66 0.00 0.00 176.95 174.39 1lud s HIS 22 N -0.73 3.17 -0.37 1.66 2.46 -1.26 -4.98 115.29 115.24 1lud s HIS 22 Ca 0.11 -1.24 0.03 0.00 0.47 0.00 0.00 55.06 54.43 1lud s HIS 22 Cb -0.10 -4.00 0.11 0.00 -0.13 0.00 0.00 32.58 28.46 1lud s HIS 22 CO 0.01 -1.24 0.12 -1.17 -2.47 0.00 0.00 174.74 169.99 1lud s LEU 23 N 2.13 3.90 0.21 8.88 2.96 -1.26 -4.97 118.68 130.53 1lud s LEU 23 Ca 0.15 -2.24 -0.08 0.00 -0.22 0.00 0.00 54.13 51.74 1lud s LEU 23 Cb -0.20 -1.40 0.15 0.00 0.50 0.00 0.00 46.19 45.25 1lud s LEU 23 CO 0.01 -0.35 1.76 1.55 -1.32 0.00 0.00 176.35 178.00 1lud h PRO 24 N 7.43 1.18 0.00 0.98 0.14 -1.99 -2.41 132.00 137.34 1lud h PRO 24 Ca -0.07 -0.24 -0.01 0.00 0.14 0.00 0.00 66.00 65.83 1lud h PRO 24 Cb 0.99 -0.18 -0.00 0.00 0.14 0.00 0.00 31.00 31.95 1lud h PRO 24 CO 0.53 0.98 -0.06 0.22 0.14 0.00 0.00 178.00 179.81 1lud h ASP 25 N 1.14 0.00 0.04 1.44 1.82 -1.98 -2.10 116.42 116.78 1lud h ASP 25 Ca 0.25 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.66 1lud h ASP 25 Cb 0.27 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.30 1lud h ASP 25 CO -0.01 0.06 -0.93 -0.78 -1.61 0.00 0.00 179.24 175.97 1lud h ASP 26 N 0.00 0.75 -0.42 2.28 3.58 -1.86 -2.95 116.42 117.79 1lud h ASP 26 Ca -0.00 -0.78 0.08 0.00 0.42 0.00 0.00 57.03 56.75 1lud h ASP 26 Cb 0.11 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 40.85 1lud h ASP 26 CO 0.01 1.44 -0.04 -0.07 -2.88 0.00 0.00 179.24 177.70 1lud h LEU 27 N 0.14 -0.25 -1.28 2.28 3.38 -1.08 0.31 115.31 118.81 1lud h LEU 27 Ca -0.13 0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1lud h LEU 27 Cb 1.62 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 1lud h LEU 27 CO 0.18 -0.09 0.51 0.45 0.09 0.00 0.00 178.44 179.58 1lud h HIS 28 N 0.07 0.90 -0.48 1.13 3.86 -1.53 0.93 115.15 120.04 1lud h HIS 28 Ca 0.21 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 1lud h HIS 28 Cb 0.31 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1lud h HIS 28 CO -0.31 0.52 0.04 -0.92 0.86 0.00 0.00 177.93 178.11 1lud h TYR 29 N 0.93 0.81 -0.09 2.45 3.20 -0.41 0.35 116.97 124.22 1lud h TYR 29 Ca 0.31 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1lud h TYR 29 Cb 0.07 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1lud h TYR 29 CO -0.00 0.73 -0.03 0.35 -1.64 0.00 0.00 178.16 177.58 1lud h PHE 30 N 0.73 0.19 0.67 -3.82 3.57 0.17 -1.36 116.94 117.09 1lud h PHE 30 Ca 0.15 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1lud h PHE 30 Cb 0.39 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.09 1lud h PHE 30 CO 0.02 0.50 -0.32 -0.09 -2.23 0.00 0.00 178.31 176.19 1lud h ARG 31 N -0.17 -0.87 -1.03 1.11 2.43 -0.81 -2.46 114.38 112.59 1lud h ARG 31 Ca 0.02 0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.51 1lud h ARG 31 Cb 0.44 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.08 1lud h ARG 31 CO 0.01 -0.58 0.63 0.00 -1.51 0.00 0.00 179.97 178.53 1lud h ALA 32 N -1.45 2.01 0.00 2.80 0.00 -1.02 0.54 119.26 122.14 1lud h ALA 32 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lud h ALA 32 Cb 0.69 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1lud h ALA 32 CO 0.15 -0.46 0.00 1.96 0.00 0.00 0.00 179.25 180.90 1lud h GLN 33 N 0.48 0.00 -0.17 0.00 1.08 -1.11 -3.19 115.11 112.20 1lud h GLN 33 Ca 0.63 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.71 1lud h GLN 33 Cb 1.39 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.72 1lud h GLN 33 CO -0.40 0.00 -0.54 0.25 -0.95 0.00 0.00 178.83 177.19 1lud n THR 34 N -2.56 2.30 -3.10 -0.54 -2.24 0.19 -4.97 114.28 103.35 1lud n THR 34 Ca 0.03 -3.42 -0.39 0.00 -2.27 0.00 0.00 64.05 57.99 1lud n THR 34 Cb 0.32 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.52 5.04 -0.17 2.28 -7.23 -0.96 -3.75 120.40 112.08 1lud s VAL 35 Ca 0.41 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.94 1lud s VAL 35 Cb 0.38 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1lud s VAL 35 CO -0.04 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1lud n GLY 36 N 3.03 0.46 3.48 2.32 0.00 -1.24 -5.00 105.19 108.24 1lud n GLY 36 Ca -0.03 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.13 1.68 -0.17 1.61 1.02 -1.25 -4.67 119.74 116.84 1lud s LYS 37 Ca 0.00 -1.89 -0.27 0.00 0.02 0.00 0.00 55.97 53.82 1lud s LYS 37 Cb 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.05 1lud s LYS 37 CO 0.00 -0.01 0.94 0.42 -0.92 0.00 0.00 175.35 175.77 1lud s ILE 38 N -2.96 4.80 -0.32 2.17 1.01 -1.04 -3.17 121.20 121.68 1lud s ILE 38 Ca 0.32 1.85 -0.10 0.00 0.00 0.00 0.00 60.65 62.73 1lud s ILE 38 Cb 0.06 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 1lud s ILE 38 CO 0.14 -0.04 0.16 -0.32 0.00 0.00 0.00 174.94 174.88 1lud s MET 39 N 2.40 3.24 -0.36 2.79 1.75 0.18 0.13 119.30 129.43 1lud s MET 39 Ca 0.43 -0.79 -0.20 0.00 -1.25 0.00 0.00 55.69 53.88 1lud s MET 39 Cb -0.17 -3.58 0.00 0.00 2.84 0.00 0.00 34.83 33.93 1lud s MET 39 CO 0.12 -0.46 0.63 0.08 -0.65 0.00 0.00 175.02 174.74 1lud s VAL 40 N 1.60 4.89 -0.03 10.11 1.01 0.21 0.78 120.40 138.98 1lud s VAL 40 Ca 0.04 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1lud s VAL 40 Cb -0.17 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1lud s VAL 40 CO 0.06 -0.33 -0.07 0.68 0.00 0.00 0.00 175.10 175.44 1lud s VAL 41 N 2.70 0.62 0.65 2.92 -7.23 -0.60 -0.53 120.40 118.93 1lud s VAL 41 Ca 0.24 -0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.98 1lud s VAL 41 Cb -0.14 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1lud s VAL 41 CO 0.15 0.21 1.18 -0.83 -0.31 0.00 0.00 175.10 175.49 1lud s GLY 42 N 0.32 2.47 0.45 2.32 0.00 -0.59 -1.32 107.32 110.96 1lud s GLY 42 Ca -0.04 0.84 0.26 0.00 0.00 0.00 0.00 44.72 45.78 1lud s GLY 42 CO 0.00 1.22 1.79 -0.09 0.00 0.00 0.00 173.10 176.02 1lud h ARG 43 N 0.34 0.00 0.02 2.90 1.12 -1.14 -0.97 114.38 116.65 1lud h ARG 43 Ca -0.49 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.34 1lud h ARG 43 Cb 1.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 1lud h ARG 43 CO 0.53 0.00 -0.18 0.00 -3.11 0.00 0.00 179.97 177.21 1lud h ARG 44 N 0.00 0.09 -0.04 0.20 2.47 -1.89 -2.43 114.38 112.78 1lud h ARG 44 Ca 0.00 -0.12 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 1lud h ARG 44 Cb 0.23 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1lud h ARG 44 CO 0.00 0.96 -0.06 1.15 0.56 0.00 0.00 179.97 182.58 1lud h THR 45 N -0.72 1.40 -0.92 2.04 2.02 -1.71 -2.00 112.91 113.02 1lud h THR 45 Ca -0.03 -1.29 0.14 0.00 0.77 0.00 0.00 66.41 66.01 1lud h THR 45 Cb 1.04 2.16 -0.09 0.00 -1.74 0.00 0.00 68.15 69.52 1lud h THR 45 CO 0.04 0.35 0.54 0.22 0.37 0.00 0.00 175.52 177.03 1lud h TYR 46 N -0.36 0.96 0.00 3.16 3.20 -1.34 0.74 116.97 123.32 1lud h TYR 46 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1lud h TYR 46 Cb 0.59 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1lud h TYR 46 CO 0.10 0.30 0.00 0.93 -1.64 0.00 0.00 178.16 177.85 1lud h GLU 47 N 0.79 0.00 0.00 1.82 5.08 -1.36 -2.92 114.58 117.99 1lud h GLU 47 Ca 0.49 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1lud h GLU 47 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1lud h GLU 47 CO -0.32 0.00 -1.72 0.43 -1.00 0.00 0.00 179.01 176.40 1lud n SER 48 N -2.36 0.30 -4.25 1.42 7.64 0.20 -4.98 113.62 111.60 1lud n SER 48 Ca 0.03 0.12 -0.37 0.00 1.01 0.00 0.00 58.87 59.66 1lud n SER 48 Cb 0.33 1.32 0.04 0.00 -1.01 0.00 0.00 64.21 64.89 1lud n SER 48 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1lud n PHE 49 N -2.48 -2.90 -0.02 1.43 3.01 0.19 -4.94 117.46 111.75 1lud n PHE 49 Ca -0.06 0.28 -0.01 0.00 1.01 0.00 0.00 57.45 58.67 1lud n PHE 49 Cb 0.65 -1.69 -0.00 0.00 -0.01 0.00 0.00 39.48 38.43 1lud n PHE 49 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lud h PRO 50 N -0.44 -0.04 -4.06 -1.08 0.13 -1.91 -3.44 132.00 121.17 1lud h PRO 50 Ca -0.43 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 1lud h PRO 50 Cb 1.37 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.11 1lud h PRO 50 CO 0.37 -0.02 -0.74 0.15 -0.23 0.00 0.00 178.00 177.52 1lud s LYS 51 N -1.57 1.06 0.11 0.86 1.02 -1.26 -5.10 119.74 114.86 1lud s LYS 51 Ca -0.01 -1.41 0.05 0.00 0.02 0.00 0.00 55.97 54.63 1lud s LYS 51 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1lud s LYS 51 CO 0.02 -0.95 -0.12 -0.98 -0.92 0.00 0.00 175.35 172.39 1lud s ARG 52 N 1.31 0.95 0.91 1.68 1.70 -1.26 -4.43 118.95 119.82 1lud s ARG 52 Ca 0.10 -1.22 -0.14 0.00 -0.47 0.00 0.00 55.73 54.00 1lud s ARG 52 Cb -0.18 -0.74 0.15 0.00 -0.57 0.00 0.00 34.95 33.60 1lud s ARG 52 CO -0.17 0.13 1.21 -1.25 -1.08 0.00 0.00 175.30 174.13 1lud s PRO 53 N -2.76 1.13 0.42 3.89 0.05 -1.26 -5.13 135.00 131.34 1lud s PRO 53 Ca 0.08 -0.01 -0.19 0.00 0.05 0.00 0.00 61.00 60.93 1lud s PRO 53 Cb -0.04 -1.86 -0.10 0.00 0.05 0.00 0.00 34.50 32.55 1lud s PRO 53 CO 0.02 -2.15 0.91 -0.51 0.05 0.00 0.00 177.00 175.32 1lud s LEU 54 N -5.89 3.92 0.11 -3.56 1.43 -1.26 -5.00 118.68 108.43 1lud s LEU 54 Ca 0.67 1.59 -0.31 0.00 -1.03 0.00 0.00 54.13 55.05 1lud s LEU 54 Cb -0.10 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 1lud s LEU 54 CO 0.52 -0.36 1.62 -2.16 0.23 0.00 0.00 176.35 176.20 1lud s PRO 55 N -3.27 4.20 -1.47 1.29 0.04 -1.26 -3.10 135.00 131.44 1lud s PRO 55 Ca 0.60 2.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.93 1lud s PRO 55 Cb -0.09 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.07 1lud s PRO 55 CO 0.16 -0.69 0.63 0.39 0.04 0.00 0.00 177.00 177.54 1lud n GLU 56 N 4.95 -3.93 -4.00 4.56 4.71 -1.26 -4.96 120.64 120.71 1lud n GLU 56 Ca 0.15 0.47 -0.16 0.00 -0.01 0.00 0.00 57.16 57.61 1lud n GLU 56 Cb 0.40 -4.91 -0.15 0.00 -1.01 0.00 0.00 31.44 25.76 1lud n GLU 56 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1lud s ARG 57 N -6.54 0.29 -0.27 3.49 0.52 -1.18 -3.66 118.95 111.60 1lud s ARG 57 Ca 0.26 -0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.20 1lud s ARG 57 Cb -0.13 -0.36 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 1lud s ARG 57 CO 0.87 -0.02 0.75 0.99 0.02 0.00 0.00 175.30 177.91 1lud s THR 58 N 0.39 4.87 0.02 0.02 2.01 -1.19 -4.70 115.64 117.07 1lud s THR 58 Ca -0.04 1.29 0.07 0.00 0.31 0.00 0.00 61.69 63.32 1lud s THR 58 Cb -0.07 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1lud s THR 58 CO -0.01 -0.09 -0.20 0.20 -0.69 0.00 0.00 174.62 173.83 1lud s ASN 59 N 1.47 2.32 -0.05 3.53 0.01 -1.26 -0.64 114.94 120.31 1lud s ASN 59 Ca 0.31 -0.45 0.05 0.00 -0.71 0.00 0.00 52.86 52.06 1lud s ASN 59 Cb -0.15 -0.22 -0.00 0.00 0.41 0.00 0.00 41.25 41.29 1lud s ASN 59 CO 0.09 0.18 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.98 1lud s VAL 60 N -0.66 1.64 0.05 1.60 1.01 0.23 -0.54 120.40 123.74 1lud s VAL 60 Ca 0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1lud s VAL 60 Cb -0.08 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1lud s VAL 60 CO 0.01 0.47 0.22 -0.69 0.00 0.00 0.00 175.10 175.11 1lud s VAL 61 N 0.02 5.37 -0.18 2.92 1.01 -0.69 -1.56 120.40 127.29 1lud s VAL 61 Ca -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1lud s VAL 61 Cb -0.13 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1lud s VAL 61 CO 0.03 0.19 -0.16 -0.76 0.00 0.00 0.00 175.10 174.40 1lud s LEU 62 N -2.35 2.34 0.09 3.92 1.02 -0.44 -2.63 118.68 120.63 1lud s LEU 62 Ca 0.33 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 1lud s LEU 62 Cb -0.13 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.55 1lud s LEU 62 CO 0.25 0.01 0.24 0.28 0.02 0.00 0.00 176.35 177.15 1lud s THR 63 N 1.25 0.12 -2.16 5.49 -1.32 -1.11 -0.51 115.64 117.40 1lud s THR 63 Ca 0.03 -0.99 0.21 0.00 -1.21 0.00 0.00 61.69 59.73 1lud s THR 63 Cb -0.14 -1.23 0.53 0.00 -1.51 0.00 0.00 72.50 70.15 1lud s THR 63 CO -0.09 -0.55 1.47 1.41 -2.21 0.00 0.00 174.62 174.65 1lud n HIS 64 N 0.03 0.72 -1.68 9.09 8.25 -1.26 -4.22 115.22 126.15 1lud n HIS 64 Ca -0.16 -0.36 -0.28 0.00 -0.26 0.00 0.00 57.72 56.67 1lud n HIS 64 Cb 0.62 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.93 1lud n HIS 64 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1lud n GLN 65 N 1.37 -1.60 0.00 -0.41 3.00 -1.26 -5.03 117.38 113.45 1lud n GLN 65 Ca 0.21 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1lud n GLN 65 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1lud n GLN 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1lud n GLU 66 N -3.84 3.01 -1.32 -1.09 4.07 -1.26 -4.74 120.64 115.47 1lud n GLU 66 Ca 0.15 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.05 1lud n GLU 66 Cb 0.54 -0.93 0.12 0.00 -0.06 0.00 0.00 31.44 31.11 1lud n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1lud n ASP 67 N -1.71 4.70 -4.64 4.31 9.92 -1.26 -5.00 116.55 122.86 1lud n ASP 67 Ca 0.00 -3.76 -0.42 0.00 -0.53 0.00 0.00 54.79 50.07 1lud n ASP 67 Cb 0.36 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 1lud n ASP 67 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1lud s TYR 68 N -3.51 1.42 -0.42 1.24 5.04 -1.26 -4.94 117.35 114.93 1lud s TYR 68 Ca 0.53 -0.03 -0.13 0.00 -2.44 0.00 0.00 57.07 55.00 1lud s TYR 68 Cb 0.45 -4.10 0.04 0.00 0.35 0.00 0.00 41.96 38.70 1lud s TYR 68 CO 0.02 -4.71 0.29 -0.65 -1.34 0.00 0.00 175.55 169.16 1lud s GLN 69 N 4.91 2.89 -0.37 4.97 -1.52 -1.26 -5.00 119.66 124.28 1lud s GLN 69 Ca 0.88 -1.17 0.01 0.00 -1.95 0.00 0.00 55.36 53.13 1lud s GLN 69 Cb -0.37 -3.93 0.15 0.00 -0.22 0.00 0.00 33.01 28.64 1lud s GLN 69 CO 0.37 -0.83 0.26 0.00 -0.25 0.00 0.00 175.29 174.84 1lud s ALA 70 N 1.61 0.91 0.67 6.09 0.00 -1.26 -5.13 121.76 124.64 1lud s ALA 70 Ca 0.04 -1.93 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 1lud s ALA 70 Cb -0.21 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1lud s ALA 70 CO 0.07 -2.08 1.06 -0.65 0.00 0.00 0.00 175.76 174.16 1lud s GLN 71 N 0.84 3.05 0.00 0.00 -0.21 -1.26 -3.39 119.66 118.69 1lud s GLN 71 Ca 0.22 1.02 0.00 0.00 0.02 0.00 0.00 55.36 56.62 1lud s GLN 71 Cb -0.15 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.85 1lud s GLN 71 CO -0.05 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.52 1lud n GLY 72 N -1.71 1.75 3.09 3.09 0.00 -1.26 -4.91 105.19 105.23 1lud n GLY 72 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1lud n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud n ALA 73 N 0.00 0.91 -2.62 4.61 0.00 -1.22 -4.78 120.51 117.42 1lud n ALA 73 Ca 0.00 -1.69 -0.22 0.00 0.00 0.00 0.00 53.44 51.53 1lud n ALA 73 Cb 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1lud n ALA 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lud s VAL 74 N -1.94 3.63 -0.04 0.00 1.01 0.30 -4.92 120.40 118.44 1lud s VAL 74 Ca 0.43 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1lud s VAL 74 Cb -0.03 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1lud s VAL 74 CO 0.27 -0.26 -0.02 -0.69 0.00 0.00 0.00 175.10 174.40 1lud s VAL 75 N -2.29 0.38 0.09 2.92 1.01 -1.26 -1.70 120.40 119.54 1lud s VAL 75 Ca 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1lud s VAL 75 Cb -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1lud s VAL 75 CO 0.24 0.20 0.10 0.68 0.00 0.00 0.00 175.10 176.33 1lud s VAL 76 N 1.12 0.16 -0.06 2.92 -7.23 -1.08 -4.96 120.40 111.26 1lud s VAL 76 Ca -0.08 -1.52 0.24 0.00 -1.81 0.00 0.00 61.98 58.81 1lud s VAL 76 Cb -0.14 -1.55 0.45 0.00 0.56 0.00 0.00 36.38 35.70 1lud s VAL 76 CO -0.01 -0.71 1.16 1.41 -0.31 0.00 0.00 175.10 176.63 1lud n HIS 77 N -0.02 0.28 -3.16 2.82 8.25 -1.26 -2.76 115.22 119.37 1lud n HIS 77 Ca -0.13 -0.89 0.05 0.00 -0.26 0.00 0.00 57.72 56.49 1lud n HIS 77 Cb 0.62 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 1lud n HIS 77 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lud s ASP 78 N -2.43 -0.84 0.55 0.41 2.15 -1.26 -4.92 116.67 110.32 1lud s ASP 78 Ca 0.33 0.54 0.44 0.00 0.43 0.00 0.00 52.55 54.29 1lud s ASP 78 Cb 0.38 1.71 1.64 0.00 -0.30 0.00 0.00 42.92 46.35 1lud s ASP 78 CO -0.14 -0.16 1.67 0.58 -0.17 0.00 0.00 175.17 176.96 1lud h VAL 79 N 5.61 0.18 -0.84 1.11 2.07 -1.99 0.79 116.25 123.18 1lud h VAL 79 Ca -0.17 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1lud h VAL 79 Cb 1.17 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1lud h VAL 79 CO 0.05 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.19 1lud h ALA 80 N 1.21 1.08 -0.22 1.67 0.00 -1.99 -1.39 119.26 119.62 1lud h ALA 80 Ca 0.78 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.60 1lud h ALA 80 Cb 3.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 20.55 1lud h ALA 80 CO -0.03 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1lud h ALA 81 N 1.33 0.29 -0.96 0.00 0.00 0.20 -2.67 119.26 117.45 1lud h ALA 81 Ca 0.32 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1lud h ALA 81 Cb -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1lud h ALA 81 CO -0.09 0.03 0.61 0.28 0.00 0.00 0.00 179.25 180.09 1lud h VAL 82 N 0.15 1.07 0.00 0.00 2.07 -1.35 0.50 116.25 118.69 1lud h VAL 82 Ca 0.06 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1lud h VAL 82 Cb 0.43 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1lud h VAL 82 CO 0.01 0.20 -0.15 -0.26 0.02 0.00 0.00 177.57 177.40 1lud h PHE 83 N 1.11 0.00 0.00 1.57 0.04 -1.09 -2.07 116.94 116.50 1lud h PHE 83 Ca 0.42 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.09 1lud h PHE 83 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1lud h PHE 83 CO -0.01 0.15 -0.44 0.00 -0.60 0.00 0.00 178.31 177.41 1lud h ALA 84 N 1.85 0.84 0.05 2.45 0.00 -0.56 -2.99 119.26 120.90 1lud h ALA 84 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1lud h ALA 84 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lud h ALA 84 CO 0.02 0.55 -0.02 -0.92 0.00 0.00 0.00 179.25 178.87 1lud h TYR 85 N 0.00 -0.06 -0.84 0.00 3.20 -1.07 -2.71 116.97 115.48 1lud h TYR 85 Ca -0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1lud h TYR 85 Cb 1.12 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 1lud h TYR 85 CO 0.00 0.56 0.47 0.00 -1.64 0.00 0.00 178.16 177.55 1lud h ALA 86 N -0.09 1.23 0.00 1.82 0.00 -1.61 0.35 119.26 120.95 1lud h ALA 86 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1lud h ALA 86 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1lud h ALA 86 CO 0.01 0.04 -0.19 -0.22 0.00 0.00 0.00 179.25 178.90 1lud h LYS 87 N 0.75 0.00 0.01 0.00 3.64 -1.58 -2.78 116.57 116.61 1lud h LYS 87 Ca 0.42 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.54 1lud h LYS 87 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1lud h LYS 87 CO -0.29 0.19 -1.46 1.96 -2.27 0.00 0.00 179.45 177.58 1lud h GLN 88 N 0.00 0.02 -5.55 1.90 4.20 -0.15 -3.44 115.11 112.09 1lud h GLN 88 Ca -0.00 -0.04 -0.62 0.00 0.06 0.00 0.00 58.65 58.05 1lud h GLN 88 Cb 0.37 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 1lud h GLN 88 CO 0.02 0.72 0.20 -1.01 -0.67 0.00 0.00 178.83 178.09 1lud s HIS 89 N -2.64 3.16 -2.23 2.96 3.76 0.71 -4.90 115.29 116.11 1lud s HIS 89 Ca -0.03 0.46 0.25 0.00 -0.15 0.00 0.00 55.06 55.59 1lud s HIS 89 Cb 0.09 -3.15 1.14 0.00 1.11 0.00 0.00 32.58 31.76 1lud s HIS 89 CO 0.82 -0.61 1.77 -0.35 -0.85 0.00 0.00 174.74 175.53 1lud n PRO 90 N 6.08 1.42 0.00 8.40 -0.04 -1.26 -3.71 135.00 145.89 1lud n PRO 90 Ca -0.00 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1lud n PRO 90 Cb 0.49 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.20 0.38 -3.45 3.54 8.00 -1.26 -5.00 116.55 118.56 1lud n ASP 91 Ca 0.18 -1.15 -0.16 0.00 0.71 0.00 0.00 54.79 54.37 1lud n ASP 91 Cb 0.24 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.15 0.24 0.00 -1.24 0.74 -1.24 -4.89 119.66 113.12 1lud s GLN 92 Ca 0.00 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.64 1lud s GLN 92 Cb 0.00 -0.99 0.00 0.00 1.10 0.00 0.00 33.01 33.12 1lud s GLN 92 CO 0.00 -0.70 0.00 0.39 -0.55 0.00 0.00 175.29 174.43 1lud n GLU 93 N 5.33 1.90 -3.76 1.67 1.02 -1.26 -4.56 120.64 120.98 1lud n GLU 93 Ca -0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.73 1lud n GLU 93 Cb 0.49 0.00 -0.13 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 3.50 -0.16 -4.62 2.96 -1.26 -2.51 118.68 116.59 1lud s LEU 94 Ca 0.00 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1lud s LEU 94 Cb 0.00 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 1lud s LEU 94 CO 0.00 -0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.14 1lud s VAL 95 N 1.59 2.82 0.20 1.68 1.01 0.35 -1.05 120.40 127.00 1lud s VAL 95 Ca 0.06 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1lud s VAL 95 Cb -0.15 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 1lud s VAL 95 CO 0.03 0.51 0.69 -0.63 0.00 0.00 0.00 175.10 175.69 1lud s ILE 96 N 0.81 4.63 0.00 2.22 -1.09 0.25 0.68 121.20 128.69 1lud s ILE 96 Ca -0.05 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1lud s ILE 96 Cb -0.15 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1lud s ILE 96 CO 0.00 0.23 0.30 0.00 -1.23 0.00 0.00 174.94 174.25 1lud n ALA 97 N 0.80 1.37 0.00 9.38 0.00 0.30 -2.11 120.51 130.25 1lud n ALA 97 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1lud n ALA 97 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.02 -1.82 0.00 0.00 0.00 -1.13 -4.91 105.19 97.31 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 -0.75 0.29 -0.02 0.00 -1.26 -1.54 105.19 101.90 1lud n GLY 99 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 1.49 -0.80 4.61 0.00 -1.93 -2.39 119.26 118.24 1lud h ALA 100 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1lud h ALA 100 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1lud h ALA 100 CO 0.00 0.38 0.51 0.37 0.00 0.00 0.00 179.25 180.51 1lud h GLN 101 N 0.54 0.98 0.00 0.00 5.75 -1.96 -2.08 115.11 118.34 1lud h GLN 101 Ca 0.13 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1lud h GLN 101 Cb 0.17 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1lud h GLN 101 CO -0.01 0.65 -0.50 0.82 -2.65 0.00 0.00 178.83 177.13 1lud h ILE 102 N 1.01 0.98 0.00 2.39 1.08 -1.66 -3.07 117.51 118.24 1lud h ILE 102 Ca 0.32 -2.04 -0.04 0.00 -0.39 0.00 0.00 64.86 62.70 1lud h ILE 102 Cb -0.00 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1lud h ILE 102 CO -0.11 0.49 -0.21 -0.26 -0.69 0.00 0.00 178.15 177.37 1lud h PHE 103 N 0.00 0.00 0.00 1.37 0.04 -1.03 -2.90 116.94 114.42 1lud h PHE 103 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1lud h PHE 103 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1lud h PHE 103 CO 0.00 0.21 -0.05 1.15 -0.60 0.00 0.00 178.31 179.03 1lud h THR 104 N 0.00 1.68 0.00 -1.55 2.02 -1.31 -0.64 112.91 113.11 1lud h THR 104 Ca -0.00 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 64.88 1lud h THR 104 Cb 0.88 3.19 -0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1lud h THR 104 CO 0.03 0.57 -0.10 0.00 0.37 0.00 0.00 175.52 176.39 1lud h ALA 105 N -0.07 1.76 -0.02 6.16 0.00 -1.61 -2.12 119.26 123.36 1lud h ALA 105 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1lud h ALA 105 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lud h ALA 105 CO -0.01 0.12 -0.27 1.19 0.00 0.00 0.00 179.25 180.28 1lud n PHE 106 N -4.31 0.00 -0.13 0.00 3.01 -1.09 -4.42 117.46 110.51 1lud n PHE 106 Ca -0.03 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1lud n PHE 106 Cb 0.17 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.98 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 3.40 0.76 -0.42 -1.08 2.10 -0.39 -2.10 116.57 118.84 1lud h LYS 107 Ca 0.00 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 1lud h LYS 107 Cb 0.86 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1lud h LYS 107 CO 0.00 0.50 -0.17 0.22 -2.00 0.00 0.00 179.45 178.00 1lud h ASP 108 N 0.78 0.80 -3.80 7.07 1.82 -1.77 -3.35 116.42 117.97 1lud h ASP 108 Ca 0.24 -0.27 -0.75 0.00 -0.39 0.00 0.00 57.03 55.87 1lud h ASP 108 Cb 0.01 -0.22 -0.31 0.00 0.68 0.00 0.00 39.33 39.49 1lud h ASP 108 CO -0.06 0.97 -0.03 -1.81 -1.61 0.00 0.00 179.24 176.70 1lud s ASP 109 N -6.72 6.22 0.09 2.28 1.01 -0.79 -5.04 116.67 113.72 1lud s ASP 109 Ca -0.09 -3.10 0.09 0.00 0.71 0.00 0.00 52.55 50.16 1lud s ASP 109 Cb 0.13 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 1lud s ASP 109 CO 0.83 -0.38 -0.22 -0.69 0.21 0.00 0.00 175.17 174.92 1lud s VAL 110 N -0.45 2.54 0.00 -1.27 1.01 -1.25 -4.60 120.40 116.39 1lud s VAL 110 Ca 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1lud s VAL 110 Cb -0.13 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1lud s VAL 110 CO -0.08 0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.68 1lud n ASP 111 N 1.14 2.72 -3.72 3.32 9.92 0.43 -4.81 116.55 125.56 1lud n ASP 111 Ca -0.17 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.96 1lud n ASP 111 Cb 0.53 0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.97 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 -1.63 -0.12 -0.14 -3.53 2.01 -1.05 -2.38 115.64 108.80 1lud s THR 112 Ca 0.00 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1lud s THR 112 Cb 0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1lud s THR 112 CO 0.00 0.09 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.23 1lud s LEU 113 N 1.53 3.35 -0.36 4.42 1.43 -0.40 0.91 118.68 129.55 1lud s LEU 113 Ca -0.06 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1lud s LEU 113 Cb -0.11 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.41 1lud s LEU 113 CO -0.07 0.21 0.12 -0.76 0.23 0.00 0.00 176.35 176.08 1lud s LEU 114 N 0.12 3.48 -0.01 1.79 1.43 0.46 0.77 118.68 126.72 1lud s LEU 114 Ca -0.00 -2.14 0.05 0.00 -1.03 0.00 0.00 54.13 51.01 1lud s LEU 114 Cb -0.13 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1lud s LEU 114 CO 0.02 -0.36 -0.16 0.54 0.23 0.00 0.00 176.35 176.62 1lud s VAL 115 N 0.94 2.91 -0.17 -1.59 0.11 -0.29 -1.42 120.40 120.89 1lud s VAL 115 Ca 0.12 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 1lud s VAL 115 Cb -0.20 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1lud s VAL 115 CO -0.12 0.47 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.17 1lud s THR 116 N -0.82 3.48 -0.27 5.04 2.01 -1.00 -0.58 115.64 123.49 1lud s THR 116 Ca 0.13 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1lud s THR 116 Cb -0.11 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1lud s THR 116 CO 0.03 0.47 0.08 -0.60 -0.69 0.00 0.00 174.62 173.92 1lud s ARG 117 N 0.79 3.43 0.46 4.92 3.52 -0.70 0.56 118.95 131.93 1lud s ARG 117 Ca -0.02 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 1lud s ARG 117 Cb -0.15 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1lud s ARG 117 CO 0.02 -0.30 0.87 -0.51 -0.81 0.00 0.00 175.30 174.56 1lud s LEU 118 N 1.58 3.71 0.15 -0.88 1.02 -0.78 -1.47 118.68 122.01 1lud s LEU 118 Ca 0.05 1.30 0.10 0.00 0.02 0.00 0.00 54.13 55.60 1lud s LEU 118 Cb -0.16 -4.22 -0.13 0.00 0.02 0.00 0.00 46.19 41.70 1lud s LEU 118 CO 0.04 -0.51 1.27 0.00 0.02 0.00 0.00 176.35 177.17 1lud h ALA 119 N 0.98 0.48 -2.51 4.21 0.00 -0.50 -3.10 119.26 118.81 1lud h ALA 119 Ca -0.47 -0.82 -0.46 0.00 0.00 0.00 0.00 54.91 53.16 1lud h ALA 119 Cb 1.19 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 19.02 1lud h ALA 119 CO 0.63 1.09 0.32 0.20 0.00 0.00 0.00 179.25 181.49 1lud s GLY 120 N -4.67 1.58 -0.19 0.00 0.00 -1.18 -4.81 107.32 98.05 1lud s GLY 120 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1lud s GLY 120 CO 0.80 0.01 -0.14 -0.56 0.00 0.00 0.00 173.10 173.21 1lud s SER 121 N -4.12 3.22 0.29 1.64 0.01 -1.26 -3.50 113.70 109.98 1lud s SER 121 Ca 0.63 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 57.22 1lud s SER 121 Cb -0.14 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 1lud s SER 121 CO 0.53 -0.08 0.10 -0.36 0.41 0.00 0.00 173.24 173.83 1lud s PHE 122 N 1.36 2.79 0.30 2.43 0.40 -1.26 -5.06 117.98 118.94 1lud s PHE 122 Ca 0.02 -0.25 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1lud s PHE 122 Cb -0.15 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 1lud s PHE 122 CO -0.10 0.49 -0.07 -1.83 0.70 0.00 0.00 175.22 174.41 1lud s GLU 123 N -3.78 2.01 0.00 0.44 -1.05 -1.26 -4.89 118.70 110.16 1lud s GLU 123 Ca 0.34 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 1lud s GLU 123 Cb -0.05 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 1lud s GLU 123 CO 0.22 0.28 0.00 0.41 0.95 0.00 0.00 175.26 177.12 1lud n GLY 124 N -0.82 1.07 0.00 -3.83 0.00 -1.26 -4.88 105.19 95.47 1lud n GLY 124 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.16 -4.37 1.61 9.92 -1.26 -5.03 116.55 117.58 1lud n ASP 125 Ca 0.00 -0.05 -0.36 0.00 -0.53 0.00 0.00 54.79 53.85 1lud n ASP 125 Cb 0.00 0.13 -0.13 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.16 3.84 0.24 -3.53 2.01 -1.24 -5.09 115.64 111.70 1lud s THR 126 Ca 0.00 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 61.69 1lud s THR 126 Cb 0.00 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1lud s THR 126 CO 0.00 0.33 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.58 1lud s LYS 127 N 1.54 1.47 0.78 4.92 3.01 -1.26 -2.35 119.74 127.84 1lud s LYS 127 Ca 0.05 -1.68 -0.13 0.00 -1.01 0.00 0.00 55.97 53.20 1lud s LYS 127 Cb -0.15 -1.30 0.07 0.00 -1.01 0.00 0.00 37.83 35.43 1lud s LYS 127 CO 0.00 0.19 1.17 1.41 0.51 0.00 0.00 175.35 178.64 1lud s MET 128 N -3.63 1.90 0.89 1.68 1.75 -1.14 -4.84 119.30 115.93 1lud s MET 128 Ca 0.26 1.62 -0.12 0.00 -1.25 0.00 0.00 55.69 56.20 1lud s MET 128 Cb -0.01 -1.82 0.13 0.00 2.84 0.00 0.00 34.83 35.97 1lud s MET 128 CO 0.10 -1.99 1.11 0.96 -0.65 0.00 0.00 175.02 174.55 1lud s ILE 129 N -2.28 2.42 -0.64 10.11 -4.36 -1.26 -4.94 121.20 120.25 1lud s ILE 129 Ca 0.70 0.14 -0.27 0.00 -0.26 0.00 0.00 60.65 60.96 1lud s ILE 129 Cb -0.26 -2.79 -0.00 0.00 1.25 0.00 0.00 42.46 40.65 1lud s ILE 129 CO 0.49 -0.18 1.67 -2.16 0.24 0.00 0.00 174.94 175.01 1lud s PRO 130 N -5.13 2.83 0.33 0.37 0.05 -1.26 -5.01 135.00 127.19 1lud s PRO 130 Ca 0.63 0.37 -0.07 0.00 0.05 0.00 0.00 61.00 61.98 1lud s PRO 130 Cb -0.16 -4.31 -0.06 0.00 0.05 0.00 0.00 34.50 30.02 1lud s PRO 130 CO 0.55 -2.51 0.63 -0.51 0.05 0.00 0.00 177.00 175.21 1lud s LEU 131 N 7.94 3.98 -1.18 -3.56 1.43 -1.26 -5.00 118.68 121.02 1lud s LEU 131 Ca 0.57 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.48 1lud s LEU 131 Cb -0.11 -3.71 0.24 0.00 0.03 0.00 0.00 46.19 42.63 1lud s LEU 131 CO 0.19 -0.27 1.69 -3.20 0.23 0.00 0.00 176.35 175.00 1lud n ASN 132 N -1.05 5.76 -0.07 2.29 5.15 -1.26 -4.79 115.26 121.30 1lud n ASN 132 Ca -0.00 -3.26 0.25 0.00 -0.60 0.00 0.00 54.58 50.96 1lud n ASN 132 Cb 0.54 -1.37 0.72 0.00 -0.53 0.00 0.00 39.78 39.13 1lud n ASN 132 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1lud h TRP 133 N 5.57 0.00 0.00 1.20 4.06 -1.94 0.42 115.95 125.25 1lud h TRP 133 Ca 0.30 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.23 1lud h TRP 133 Cb 0.62 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1lud h TRP 133 CO 1.14 0.00 -0.12 -0.44 -3.56 0.00 0.00 178.44 175.46 1lud h ASP 134 N 0.00 0.00 0.28 -3.49 3.32 -2.04 -1.47 116.42 113.02 1lud h ASP 134 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1lud h ASP 134 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1lud h ASP 134 CO -0.00 0.12 -0.53 -0.67 -1.72 0.00 0.00 179.24 176.43 1lud n ASP 135 N -3.84 0.89 -4.62 6.45 2.03 0.14 -4.92 116.55 112.69 1lud n ASP 135 Ca -0.02 -0.69 -0.25 0.00 0.52 0.00 0.00 54.79 54.35 1lud n ASP 135 Cb 0.22 0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 40.92 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1lud s PHE 136 N -2.82 2.53 -0.04 -0.67 0.40 -0.55 -4.28 117.98 112.55 1lud s PHE 136 Ca 0.15 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1lud s PHE 136 Cb 0.18 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1lud s PHE 136 CO 0.67 0.51 -0.05 0.99 0.70 0.00 0.00 175.22 178.04 1lud s THR 137 N -2.52 0.51 -0.09 0.64 2.01 -1.12 -4.87 115.64 110.20 1lud s THR 137 Ca 0.34 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1lud s THR 137 Cb -0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1lud s THR 137 CO 0.19 0.21 1.38 -0.75 -0.69 0.00 0.00 174.62 174.96 1lud s LYS 138 N 0.75 4.24 -0.08 4.92 2.36 -1.26 -1.77 119.74 128.89 1lud s LYS 138 Ca -0.10 1.86 0.20 0.00 -2.55 0.00 0.00 55.97 55.38 1lud s LYS 138 Cb -0.13 -3.77 -0.30 0.00 -1.05 0.00 0.00 37.83 32.58 1lud s LYS 138 CO 0.00 -0.69 0.33 1.33 1.55 0.00 0.00 175.35 177.87 1lud n VAL 139 N 5.19 0.45 -3.80 4.02 0.24 0.12 -4.95 118.33 119.61 1lud n VAL 139 Ca 0.14 -0.60 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 1lud n VAL 139 Cb 0.44 -0.15 -0.13 0.00 -1.47 0.00 0.00 33.84 32.53 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 -4.78 -0.17 -0.14 -1.34 0.01 -1.17 -5.03 113.70 101.07 1lud s SER 140 Ca -0.08 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.41 1lud s SER 140 Cb 0.11 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.70 1lud s SER 140 CO 0.86 -0.08 0.37 -0.55 0.41 0.00 0.00 173.24 174.24 1lud s SER 141 N 0.38 -0.41 -0.07 2.44 0.15 -1.26 -0.73 113.70 114.21 1lud s SER 141 Ca -0.02 0.76 0.02 0.00 0.70 0.00 0.00 55.95 57.41 1lud s SER 141 Cb -0.04 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1lud s SER 141 CO -0.02 -0.15 -0.11 -0.60 1.20 0.00 0.00 173.24 173.56 1lud s ARG 142 N 0.69 1.62 -0.20 5.44 6.06 -0.92 -4.96 118.95 126.66 1lud s ARG 142 Ca -0.04 -0.38 -0.08 0.00 -2.50 0.00 0.00 55.73 52.73 1lud s ARG 142 Cb -0.05 -1.36 -0.04 0.00 0.06 0.00 0.00 34.95 33.55 1lud s ARG 142 CO -0.05 0.01 0.09 0.99 -2.50 0.00 0.00 175.30 173.84 1lud s THR 143 N 0.73 4.89 -0.06 4.11 2.01 -1.26 -1.05 115.64 125.01 1lud s THR 143 Ca -0.14 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1lud s THR 143 Cb -0.16 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1lud s THR 143 CO 0.03 0.42 -0.12 0.54 -0.69 0.00 0.00 174.62 174.80 1lud s VAL 144 N 0.67 1.12 0.49 3.82 0.11 -1.02 -5.03 120.40 120.56 1lud s VAL 144 Ca 0.05 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1lud s VAL 144 Cb -0.13 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1lud s VAL 144 CO 0.01 0.35 0.78 -1.83 -3.33 0.00 0.00 175.10 171.09 1lud s GLU 145 N 0.63 3.34 0.06 1.54 4.04 -1.26 -2.88 118.70 124.17 1lud s GLU 145 Ca -0.14 0.04 0.01 0.00 0.04 0.00 0.00 54.97 54.92 1lud s GLU 145 Cb -0.15 -2.39 -0.03 0.00 0.02 0.00 0.00 34.13 31.57 1lud s GLU 145 CO 0.04 -0.31 -0.06 0.34 -1.84 0.00 0.00 175.26 173.43 1lud s ASP 146 N -4.16 0.84 0.46 0.83 2.15 -1.26 -4.91 116.67 110.61 1lud s ASP 146 Ca 0.48 -0.75 0.31 0.00 0.43 0.00 0.00 52.55 53.03 1lud s ASP 146 Cb -0.10 0.08 1.65 0.00 -0.30 0.00 0.00 42.92 44.25 1lud s ASP 146 CO 0.44 -0.35 1.96 0.71 -0.17 0.00 0.00 175.17 177.75 1lud h THR 147 N 3.84 0.00 -3.12 1.71 1.35 -1.99 -3.41 112.91 111.30 1lud h THR 147 Ca -0.35 -0.05 -0.64 0.00 -0.55 0.00 0.00 66.41 64.82 1lud h THR 147 Cb 1.18 0.78 -0.13 0.00 -1.73 0.00 0.00 68.15 68.25 1lud h THR 147 CO 0.52 0.00 -0.54 0.21 -0.25 0.00 0.00 175.52 175.45 1lud s ASN 148 N -4.57 5.82 0.15 5.36 2.47 -1.26 -5.00 114.94 117.91 1lud s ASN 148 Ca -0.03 0.21 -0.18 0.00 0.42 0.00 0.00 52.86 53.29 1lud s ASN 148 Cb 0.09 -1.91 0.04 0.00 -1.45 0.00 0.00 41.25 38.02 1lud s ASN 148 CO 0.31 0.28 1.68 1.55 -3.72 0.00 0.00 177.10 177.20 1lud h PRO 149 N 5.94 -0.00 0.05 0.43 0.13 -1.99 -2.61 132.00 133.95 1lud h PRO 149 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 1lud h PRO 149 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1lud h PRO 149 CO 0.65 -0.00 -1.08 0.00 -0.23 0.00 0.00 178.00 177.34 1lud h ALA 150 N 1.32 0.27 0.00 -0.56 0.00 -1.94 -3.25 119.26 115.09 1lud h ALA 150 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1lud h ALA 150 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1lud h ALA 150 CO -0.33 1.13 0.00 1.28 0.00 0.00 0.00 179.25 181.33 1lud n LEU 151 N -3.43 0.00 -4.77 0.00 4.77 -1.01 -3.13 117.00 109.43 1lud n LEU 151 Ca -0.03 0.36 -0.37 0.00 -0.03 0.00 0.00 56.01 55.94 1lud n LEU 151 Cb 0.96 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1lud n LEU 151 CO 0.50 -0.18 0.86 -0.89 -1.33 0.00 0.00 177.39 176.34 1lud s THR 152 N -2.73 2.91 0.15 -5.08 2.01 -1.01 -4.68 115.64 107.21 1lud s THR 152 Ca 0.11 0.69 -0.25 0.00 0.31 0.00 0.00 61.69 62.55 1lud s THR 152 Cb 0.10 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 69.32 1lud s THR 152 CO 0.24 -0.00 0.97 -1.38 -0.69 0.00 0.00 174.62 173.75 1lud s HIS 153 N -1.49 -0.13 0.09 4.92 -3.43 -1.14 0.03 115.29 114.14 1lud s HIS 153 Ca 0.65 -0.17 0.05 0.00 -0.80 0.00 0.00 55.06 54.79 1lud s HIS 153 Cb -0.31 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1lud s HIS 153 CO 0.37 -0.81 -0.14 0.99 -2.00 0.00 0.00 174.74 173.16 1lud s THR 154 N -3.26 1.17 -0.23 -5.38 2.01 -0.54 -2.42 115.64 106.97 1lud s THR 154 Ca 0.12 -1.50 -0.07 0.00 0.31 0.00 0.00 61.69 60.55 1lud s THR 154 Cb -0.01 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1lud s THR 154 CO 0.02 -0.34 0.07 -0.31 -0.69 0.00 0.00 174.62 173.37 1lud s TYR 155 N -1.74 3.12 -0.19 4.92 2.02 -0.21 -1.72 117.35 123.54 1lud s TYR 155 Ca 0.03 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1lud s TYR 155 Cb -0.07 -2.21 -0.00 0.00 -0.40 0.00 0.00 41.96 39.28 1lud s TYR 155 CO 0.02 -0.24 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.45 1lud s GLU 156 N 1.34 3.26 -0.17 -0.62 2.02 0.25 -2.17 118.70 122.61 1lud s GLU 156 Ca 0.05 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 1lud s GLU 156 Cb -0.15 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 1lud s GLU 156 CO 0.04 -0.14 -0.08 0.08 0.02 0.00 0.00 175.26 175.18 1lud s VAL 157 N 1.25 3.38 0.30 2.63 1.01 0.09 -1.14 120.40 127.91 1lud s VAL 157 Ca 0.03 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1lud s VAL 157 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1lud s VAL 157 CO -0.05 0.48 -0.04 0.26 0.00 0.00 0.00 175.10 175.76 1lud s TRP 158 N 0.76 2.55 0.01 5.22 0.52 0.23 -0.70 118.94 127.54 1lud s TRP 158 Ca -0.03 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.77 1lud s TRP 158 Cb -0.15 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1lud s TRP 158 CO 0.02 0.58 -0.03 -0.65 0.02 0.00 0.00 176.95 176.89 1lud s GLN 159 N -3.66 0.28 -0.07 4.98 -0.21 -0.73 -1.28 119.66 118.98 1lud s GLN 159 Ca 0.32 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1lud s GLN 159 Cb -0.04 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.86 1lud s GLN 159 CO 0.19 0.01 0.99 0.21 -2.12 0.00 0.00 175.29 174.57 1lud s LYS 160 N -0.79 4.47 0.66 2.91 2.36 -1.00 -2.80 119.74 125.55 1lud s LYS 160 Ca -0.07 1.39 -0.12 0.00 -2.55 0.00 0.00 55.97 54.62 1lud s LYS 160 Cb -0.05 -3.51 -0.01 0.00 -1.05 0.00 0.00 37.83 33.20 1lud s LYS 160 CO -0.00 -0.21 1.05 0.15 1.55 0.00 0.00 175.35 177.88 1lud s LYS 161 N 1.64 3.14 0.00 4.03 -0.14 -1.26 -5.02 119.74 122.13 1lud s LYS 161 Ca 0.49 0.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.05 1lud s LYS 161 Cb -0.19 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 1lud s LYS 161 CO 0.21 -0.93 0.00 0.00 -0.76 0.00 0.00 175.35 173.87