#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 -0.14 2.41 0.00 0.23 0.22 121.76 126.29 1lud s ALA 2 Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 1lud s ALA 2 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1lud s ALA 2 CO 0.00 0.29 0.03 -0.06 0.00 0.00 0.00 175.76 176.02 1lud s PHE 3 N -1.54 3.21 -0.40 0.00 0.40 0.74 0.17 117.98 120.56 1lud s PHE 3 Ca 0.09 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1lud s PHE 3 Cb -0.08 -1.94 0.13 0.00 0.51 0.00 0.00 43.02 41.65 1lud s PHE 3 CO 0.05 0.29 0.22 -1.17 0.70 0.00 0.00 175.22 175.31 1lud s LEU 4 N -0.23 2.05 0.00 -0.37 2.96 -0.88 0.11 118.68 122.31 1lud s LEU 4 Ca 0.07 -2.41 0.02 0.00 -0.22 0.00 0.00 54.13 51.59 1lud s LEU 4 Cb -0.12 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 1lud s LEU 4 CO 0.02 -0.29 -0.07 -1.66 -1.32 0.00 0.00 176.35 173.03 1lud s TRP 5 N 0.69 0.62 -0.22 5.38 -2.14 -0.82 -4.60 118.94 117.85 1lud s TRP 5 Ca 0.17 -0.17 -0.11 0.00 2.66 0.00 0.00 56.10 58.65 1lud s TRP 5 Cb -0.24 -0.39 -0.05 0.00 -3.10 0.00 0.00 33.47 29.70 1lud s TRP 5 CO -0.01 -0.02 0.20 0.00 -2.66 0.00 0.00 176.95 174.46 1lud s ALA 6 N -0.33 3.62 0.17 2.67 0.00 -1.26 -2.38 121.76 124.24 1lud s ALA 6 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1lud s ALA 6 Cb -0.04 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1lud s ALA 6 CO -0.00 -0.10 -0.14 1.14 0.00 0.00 0.00 175.76 176.66 1lud s GLN 7 N 0.88 1.20 0.00 0.00 -2.07 0.19 -4.59 119.66 115.27 1lud s GLN 7 Ca 0.10 -1.46 0.00 0.00 -1.82 0.00 0.00 55.36 52.18 1lud s GLN 7 Cb -0.13 -1.00 0.00 0.00 -1.09 0.00 0.00 33.01 30.79 1lud s GLN 7 CO 0.03 0.17 0.00 -0.40 -1.32 0.00 0.00 175.29 173.77 1lud n ASP 8 N -0.06 0.00 -0.33 12.60 5.68 -1.19 -1.45 116.55 131.80 1lud n ASP 8 Ca -0.11 -0.96 -0.01 0.00 -0.50 0.00 0.00 54.79 53.22 1lud n ASP 8 Cb 0.59 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.69 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 1.09 0.00 0.11 -0.00 -1.43 -2.14 114.38 112.01 1lud h ARG 9 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.98 59.77 1lud h ARG 9 Cb 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.97 29.70 1lud h ARG 9 CO 0.00 0.72 -0.71 -0.44 -0.00 0.00 0.00 179.97 179.55 1lud h ASP 10 N 1.12 0.00 0.00 0.08 5.19 -1.89 -3.47 116.42 117.45 1lud h ASP 10 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1lud h ASP 10 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1lud h ASP 10 CO -0.12 0.71 0.00 0.61 -3.12 0.00 0.00 179.24 177.31 1lud n GLY 11 N 0.52 1.08 3.91 2.75 0.00 -0.80 -5.08 105.19 107.56 1lud n GLY 11 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 3.43 0.03 0.99 2.96 -1.26 -3.28 118.68 121.55 1lud s LEU 12 Ca 0.00 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1lud s LEU 12 Cb 0.00 -3.73 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1lud s LEU 12 CO 0.00 -0.82 0.00 2.30 -1.32 0.00 0.00 176.35 176.51 1lud n ILE 13 N -2.43 0.15 -3.78 6.68 -5.35 -1.21 -3.18 119.36 110.24 1lud n ILE 13 Ca 0.03 0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 1lud n ILE 13 Cb 0.56 -0.74 -0.15 0.00 -1.74 0.00 0.00 39.64 37.58 1lud n ILE 13 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1lud s GLY 14 N -3.57 0.02 -0.20 3.28 0.00 -1.24 -4.51 107.32 101.10 1lud s GLY 14 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 1lud s GLY 14 CO 0.00 0.68 -0.04 1.25 0.00 0.00 0.00 173.10 174.99 1lud s LYS 15 N 0.88 3.46 -1.34 2.90 2.20 -1.20 -4.13 119.74 122.51 1lud s LYS 15 Ca -0.07 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1lud s LYS 15 Cb -0.10 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1lud s LYS 15 CO -0.03 -0.06 1.09 -0.25 -0.36 0.00 0.00 175.35 175.74 1lud n ASP 16 N 4.41 -6.26 0.00 1.43 9.92 -1.26 -3.79 116.55 121.01 1lud n ASP 16 Ca -0.18 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 1lud n ASP 16 Cb 0.51 -4.90 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1lud n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lud n GLY 17 N -1.92 2.28 3.77 0.44 0.00 -1.26 -4.94 105.19 103.55 1lud n GLY 17 Ca -0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 2.63 0.56 1.61 -3.43 -1.25 -4.89 115.29 110.52 1lud s HIS 18 Ca 0.00 1.33 -0.19 0.00 -0.80 0.00 0.00 55.06 55.40 1lud s HIS 18 Cb 0.00 -3.80 -0.08 0.00 -1.43 0.00 0.00 32.58 27.27 1lud s HIS 18 CO 0.00 -2.53 0.70 1.28 -2.00 0.00 0.00 174.74 172.19 1lud n LEU 19 N -0.03 1.77 0.09 5.38 4.77 -1.26 -3.26 117.00 124.46 1lud n LEU 19 Ca 0.04 0.79 -0.05 0.00 -0.03 0.00 0.00 56.01 56.76 1lud n LEU 19 Cb 0.43 -1.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1lud n LEU 19 CO 0.57 -2.57 0.30 1.55 -1.33 0.00 0.00 177.39 175.92 1lud h PRO 20 N 0.44 0.06 -6.63 3.23 0.14 -1.83 -3.44 132.00 123.96 1lud h PRO 20 Ca -0.46 -0.06 -0.67 0.00 0.14 0.00 0.00 66.00 64.94 1lud h PRO 20 Cb 1.38 0.02 -0.26 0.00 0.14 0.00 0.00 31.00 32.28 1lud h PRO 20 CO 0.49 0.85 -0.87 1.67 0.14 0.00 0.00 178.00 180.28 1lud s TRP 21 N -3.17 2.23 -0.76 1.56 -2.14 -1.26 -5.03 118.94 110.36 1lud s TRP 21 Ca -0.01 -0.41 -0.18 0.00 2.66 0.00 0.00 56.10 58.17 1lud s TRP 21 Cb 0.11 -1.33 0.14 0.00 -3.10 0.00 0.00 33.47 29.29 1lud s TRP 21 CO 0.80 0.13 0.86 -1.58 -2.66 0.00 0.00 176.95 174.50 1lud s HIS 22 N -0.81 3.23 -0.32 1.66 2.46 -1.26 -4.98 115.29 115.27 1lud s HIS 22 Ca 0.11 -1.37 0.03 0.00 0.47 0.00 0.00 55.06 54.31 1lud s HIS 22 Cb -0.10 -4.06 0.09 0.00 -0.13 0.00 0.00 32.58 28.39 1lud s HIS 22 CO 0.02 -1.28 0.03 -1.17 -2.47 0.00 0.00 174.74 169.87 1lud s LEU 23 N 2.04 4.18 0.22 8.88 2.96 -1.26 -4.97 118.68 130.73 1lud s LEU 23 Ca 0.20 -1.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.11 1lud s LEU 23 Cb -0.14 -1.50 0.21 0.00 0.50 0.00 0.00 46.19 45.25 1lud s LEU 23 CO -0.03 -0.35 1.71 1.55 -1.32 0.00 0.00 176.35 177.91 1lud h PRO 24 N 7.71 0.95 0.00 0.98 0.14 -1.98 -2.55 132.00 137.25 1lud h PRO 24 Ca -0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 66.00 65.78 1lud h PRO 24 Cb 1.02 -0.11 -0.00 0.00 0.14 0.00 0.00 31.00 32.06 1lud h PRO 24 CO 0.50 0.92 -0.05 0.22 0.14 0.00 0.00 178.00 179.73 1lud h ASP 25 N 0.89 0.00 -0.01 1.44 3.58 -1.97 -2.37 116.42 117.98 1lud h ASP 25 Ca 0.17 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 1lud h ASP 25 Cb 0.48 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.53 1lud h ASP 25 CO 0.02 0.05 -0.45 -0.78 -2.88 0.00 0.00 179.24 175.20 1lud h ASP 26 N 0.00 0.42 -0.88 2.28 3.58 -1.87 -2.98 116.42 116.97 1lud h ASP 26 Ca -0.00 -0.75 0.17 0.00 0.42 0.00 0.00 57.03 56.87 1lud h ASP 26 Cb 0.10 -0.13 -0.10 0.00 1.72 0.00 0.00 39.33 40.92 1lud h ASP 26 CO 0.01 1.11 0.45 -0.07 -2.88 0.00 0.00 179.24 177.86 1lud h LEU 27 N -0.23 0.52 -0.84 2.28 3.38 -1.32 0.27 115.31 119.36 1lud h LEU 27 Ca -0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1lud h LEU 27 Cb 1.17 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1lud h LEU 27 CO 0.09 0.18 0.26 0.45 0.09 0.00 0.00 178.44 179.51 1lud h HIS 28 N 0.59 1.14 -0.29 1.13 3.86 -1.52 -1.66 115.15 118.41 1lud h HIS 28 Ca 0.50 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.59 1lud h HIS 28 Cb 0.78 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1lud h HIS 28 CO -0.09 0.89 0.09 -0.92 0.86 0.00 0.00 177.93 178.75 1lud h TYR 29 N 1.08 0.40 -0.03 2.45 3.20 -0.36 0.25 116.97 123.96 1lud h TYR 29 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1lud h TYR 29 Cb 0.25 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1lud h TYR 29 CO 0.02 0.34 -0.02 0.35 -1.64 0.00 0.00 178.16 177.21 1lud h PHE 30 N 0.40 0.07 -0.67 -3.82 3.57 -0.30 0.05 116.94 116.24 1lud h PHE 30 Ca 0.10 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1lud h PHE 30 Cb 0.13 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1lud h PHE 30 CO 0.00 0.52 0.20 -0.09 -2.23 0.00 0.00 178.31 176.72 1lud h ARG 31 N -0.40 1.05 -0.40 1.11 2.43 -1.06 -2.60 114.38 114.52 1lud h ARG 31 Ca 0.00 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 58.82 1lud h ARG 31 Cb 0.51 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1lud h ARG 31 CO 0.01 0.92 -0.25 0.00 -1.51 0.00 0.00 179.97 179.14 1lud h ALA 32 N 1.09 0.57 0.00 2.80 0.00 -0.95 -2.88 119.26 119.88 1lud h ALA 32 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1lud h ALA 32 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1lud h ALA 32 CO -0.01 0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.85 1lud n GLN 33 N -4.18 0.18 -0.55 0.00 1.13 0.00 -2.77 117.38 111.19 1lud n GLN 33 Ca -0.02 0.44 0.05 0.00 -1.94 0.00 0.00 57.00 55.54 1lud n GLN 33 Cb 0.46 -1.87 0.20 0.00 0.11 0.00 0.00 30.24 29.14 1lud n GLN 33 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1lud n THR 34 N -2.22 2.21 -2.51 5.09 -2.24 -0.99 -4.92 114.28 108.70 1lud n THR 34 Ca 0.02 -3.04 -0.43 0.00 -2.27 0.00 0.00 64.05 58.33 1lud n THR 34 Cb 0.21 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.19 4.17 0.00 2.28 -7.23 -1.11 -3.12 120.40 112.20 1lud s VAL 35 Ca 0.38 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1lud s VAL 35 Cb 0.36 -4.37 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1lud s VAL 35 CO -0.05 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 1lud n GLY 36 N 4.59 0.45 3.47 2.32 0.00 -1.24 -5.04 105.19 109.75 1lud n GLY 36 Ca 0.14 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.87 1.65 -0.11 1.61 1.02 -1.18 -4.28 119.74 117.57 1lud s LYS 37 Ca 0.00 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.88 1lud s LYS 37 Cb 0.00 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1lud s LYS 37 CO 0.00 0.14 1.08 0.42 -0.92 0.00 0.00 175.35 176.06 1lud s ILE 38 N -2.78 4.61 -0.34 2.17 1.01 -1.01 -3.10 121.20 121.75 1lud s ILE 38 Ca 0.30 1.90 -0.10 0.00 0.00 0.00 0.00 60.65 62.75 1lud s ILE 38 Cb 0.01 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1lud s ILE 38 CO 0.14 -0.03 0.16 -0.32 0.00 0.00 0.00 174.94 174.89 1lud s MET 39 N 2.29 3.07 -0.30 2.79 1.75 -0.03 0.11 119.30 128.98 1lud s MET 39 Ca 0.50 -0.90 -0.18 0.00 -1.25 0.00 0.00 55.69 53.86 1lud s MET 39 Cb -0.20 -3.61 -0.02 0.00 2.84 0.00 0.00 34.83 33.85 1lud s MET 39 CO 0.17 -0.54 0.52 0.08 -0.65 0.00 0.00 175.02 174.59 1lud s VAL 40 N 1.57 5.04 -0.09 10.11 1.01 0.15 0.64 120.40 138.83 1lud s VAL 40 Ca 0.03 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1lud s VAL 40 Cb -0.18 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1lud s VAL 40 CO 0.06 -0.06 -0.11 0.68 0.00 0.00 0.00 175.10 175.67 1lud s VAL 41 N 2.36 1.16 0.75 2.92 -7.23 -0.32 0.21 120.40 120.26 1lud s VAL 41 Ca 0.20 -0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 59.79 1lud s VAL 41 Cb -0.15 -1.09 0.05 0.00 0.56 0.00 0.00 36.38 35.75 1lud s VAL 41 CO 0.11 0.37 1.14 -0.83 -0.31 0.00 0.00 175.10 175.58 1lud s GLY 42 N 1.00 2.01 0.63 2.32 0.00 0.14 -1.55 107.32 111.87 1lud s GLY 42 Ca -0.08 0.58 0.26 0.00 0.00 0.00 0.00 44.72 45.49 1lud s GLY 42 CO -0.00 0.96 1.75 -0.09 0.00 0.00 0.00 173.10 175.72 1lud h ARG 43 N -0.69 0.00 0.01 2.90 1.12 -0.92 -0.99 114.38 115.80 1lud h ARG 43 Ca -0.46 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.34 1lud h ARG 43 Cb 1.26 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.23 1lud h ARG 43 CO 0.50 0.00 -0.30 0.00 -3.11 0.00 0.00 179.97 177.06 1lud h ARG 44 N 0.00 0.18 0.05 0.20 3.08 -1.88 -2.72 114.38 113.29 1lud h ARG 44 Ca 0.14 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1lud h ARG 44 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1lud h ARG 44 CO -0.00 0.97 -0.02 1.15 -1.07 0.00 0.00 179.97 180.99 1lud h THR 45 N -0.52 1.26 -0.80 2.04 2.02 -1.55 -2.32 112.91 113.04 1lud h THR 45 Ca -0.04 -1.13 0.20 0.00 0.77 0.00 0.00 66.41 66.21 1lud h THR 45 Cb 1.08 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.44 1lud h THR 45 CO 0.06 0.28 0.55 0.22 0.37 0.00 0.00 175.52 177.00 1lud h TYR 46 N -0.58 0.29 0.00 3.16 3.20 -1.43 0.97 116.97 122.57 1lud h TYR 46 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lud h TYR 46 Cb 0.51 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1lud h TYR 46 CO 0.09 0.09 0.00 0.93 -1.64 0.00 0.00 178.16 177.63 1lud h GLU 47 N 0.23 0.00 0.00 1.82 4.39 -1.32 -3.16 114.58 116.54 1lud h GLU 47 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1lud h GLU 47 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1lud h GLU 47 CO -0.09 0.00 -1.60 0.43 -1.16 0.00 0.00 179.01 176.59 1lud n SER 48 N -3.08 0.38 -4.43 1.42 7.64 0.27 -4.98 113.62 110.83 1lud n SER 48 Ca 0.03 -0.35 -0.35 0.00 1.01 0.00 0.00 58.87 59.21 1lud n SER 48 Cb 0.47 1.59 0.09 0.00 -1.01 0.00 0.00 64.21 65.35 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 -1.99 -1.17 -0.07 1.43 3.01 0.21 -4.96 117.46 113.92 1lud n PHE 49 Ca -0.01 0.29 -0.06 0.00 1.01 0.00 0.00 57.45 58.68 1lud n PHE 49 Cb 0.48 -1.85 -0.04 0.00 -0.01 0.00 0.00 39.48 38.06 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 -0.85 0.00 -4.25 -1.08 0.14 -1.90 -3.45 132.00 120.61 1lud h PRO 50 Ca -0.45 0.00 -0.63 0.00 0.14 0.00 0.00 66.00 65.06 1lud h PRO 50 Cb 1.32 0.00 -0.40 0.00 0.14 0.00 0.00 31.00 32.06 1lud h PRO 50 CO 0.39 0.26 -0.74 0.15 0.14 0.00 0.00 178.00 178.20 1lud s LYS 51 N -1.95 1.20 -0.11 0.86 3.01 -1.26 -5.10 119.74 116.39 1lud s LYS 51 Ca -0.11 -1.54 -0.01 0.00 -1.01 0.00 0.00 55.97 53.31 1lud s LYS 51 Cb 0.01 -2.73 -0.03 0.00 -1.01 0.00 0.00 37.83 34.08 1lud s LYS 51 CO 0.24 -0.94 -0.08 1.03 0.51 0.00 0.00 175.35 176.10 1lud s ARG 52 N 1.19 3.15 0.77 1.68 3.00 -1.26 -3.95 118.95 123.52 1lud s ARG 52 Ca 0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 55.73 55.21 1lud s ARG 52 Cb -0.18 -2.68 0.14 0.00 0.00 0.00 0.00 34.95 32.22 1lud s ARG 52 CO -0.14 0.44 1.06 -1.25 0.00 0.00 0.00 175.30 175.40 1lud s PRO 53 N -0.20 1.49 -0.26 3.54 0.04 -1.26 -5.02 135.00 133.34 1lud s PRO 53 Ca 0.02 -0.93 -0.19 0.00 0.04 0.00 0.00 61.00 59.94 1lud s PRO 53 Cb -0.13 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1lud s PRO 53 CO 0.03 -1.63 0.58 -0.51 0.04 0.00 0.00 177.00 175.50 1lud s LEU 54 N -5.30 4.06 0.69 -3.56 1.43 -1.25 -5.04 118.68 109.70 1lud s LEU 54 Ca 0.68 0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.24 1lud s LEU 54 Cb -0.05 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1lud s LEU 54 CO 0.46 -0.33 0.53 -2.65 0.23 0.00 0.00 176.35 174.59 1lud n PRO 55 N 5.62 0.36 -1.50 1.29 -0.01 -1.26 -1.78 135.00 137.72 1lud n PRO 55 Ca -0.02 0.16 -0.11 0.00 -0.01 0.00 0.00 63.50 63.51 1lud n PRO 55 Cb 0.49 -1.81 -0.04 0.00 -0.01 0.00 0.00 33.50 32.14 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 -0.56 -1.40 -3.86 -0.52 1.02 -1.26 -4.90 120.64 109.16 1lud n GLU 56 Ca 0.10 0.66 -0.11 0.00 -0.02 0.00 0.00 57.16 57.79 1lud n GLU 56 Cb 0.49 -4.93 -0.11 0.00 -0.02 0.00 0.00 31.44 26.88 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 -3.28 0.36 -0.15 3.49 0.52 -0.73 -3.60 118.95 115.57 1lud s ARG 57 Ca 0.00 -0.20 -0.20 0.00 -0.52 0.00 0.00 55.73 54.80 1lud s ARG 57 Cb 0.00 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 1lud s ARG 57 CO 0.00 -0.08 0.59 0.99 0.02 0.00 0.00 175.30 176.82 1lud s THR 58 N -0.88 5.08 -0.12 0.02 2.01 -1.18 -4.59 115.64 115.98 1lud s THR 58 Ca -0.10 1.16 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1lud s THR 58 Cb -0.06 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1lud s THR 58 CO 0.01 0.21 -0.21 0.20 -0.69 0.00 0.00 174.62 174.13 1lud s ASN 59 N 0.95 2.96 -0.06 3.53 0.01 -1.26 -0.85 114.94 120.22 1lud s ASN 59 Ca 0.29 -0.55 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 1lud s ASN 59 Cb -0.16 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 1lud s ASN 59 CO 0.12 0.10 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.89 1lud s VAL 60 N 0.66 1.86 0.06 1.60 1.01 0.21 -0.07 120.40 125.73 1lud s VAL 60 Ca -0.12 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1lud s VAL 60 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1lud s VAL 60 CO 0.02 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 1lud s VAL 61 N -0.07 4.90 -0.13 2.92 1.01 0.34 -1.17 120.40 128.20 1lud s VAL 61 Ca -0.05 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1lud s VAL 61 Cb -0.13 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1lud s VAL 61 CO 0.04 0.17 -0.21 -0.76 0.00 0.00 0.00 175.10 174.33 1lud s LEU 62 N -2.33 2.05 0.06 3.92 1.02 -0.59 -1.52 118.68 121.29 1lud s LEU 62 Ca 0.30 -0.57 -0.07 0.00 0.02 0.00 0.00 54.13 53.81 1lud s LEU 62 Cb -0.12 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1lud s LEU 62 CO 0.23 0.08 0.14 0.28 0.02 0.00 0.00 176.35 177.10 1lud s THR 63 N 0.79 0.15 -2.16 5.49 -1.32 -1.02 -0.18 115.64 117.38 1lud s THR 63 Ca -0.08 -1.22 0.26 0.00 -1.21 0.00 0.00 61.69 59.44 1lud s THR 63 Cb -0.16 -1.22 0.32 0.00 -1.51 0.00 0.00 72.50 69.94 1lud s THR 63 CO -0.01 -0.67 1.54 1.41 -2.21 0.00 0.00 174.62 174.68 1lud n HIS 64 N 0.24 0.00 -2.16 9.09 8.25 -1.26 -4.28 115.22 125.10 1lud n HIS 64 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 1lud n HIS 64 Cb 0.61 -0.05 0.09 0.00 1.12 0.00 0.00 29.99 31.75 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 -2.28 1.98 0.00 -0.41 1.11 -1.26 -5.01 119.66 113.79 1lud s GLN 65 Ca 0.29 -0.27 0.05 0.00 0.01 0.00 0.00 55.36 55.43 1lud s GLN 65 Cb 0.20 -2.12 -0.03 0.00 -1.01 0.00 0.00 33.01 30.04 1lud s GLN 65 CO 0.44 -1.42 0.30 -0.85 0.01 0.00 0.00 175.29 173.78 1lud n GLU 66 N -3.05 4.29 -0.43 2.91 0.28 -1.26 -4.55 120.64 118.82 1lud n GLU 66 Ca 0.09 -0.16 0.08 0.00 -0.16 0.00 0.00 57.16 57.01 1lud n GLU 66 Cb 0.60 -0.81 0.24 0.00 1.43 0.00 0.00 31.44 32.91 1lud n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1lud n ASP 67 N -0.84 3.62 -4.66 -1.84 9.92 -1.26 -5.00 116.55 116.49 1lud n ASP 67 Ca 0.01 -3.08 -0.42 0.00 -0.53 0.00 0.00 54.79 50.77 1lud n ASP 67 Cb 0.09 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.00 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 -2.87 1.33 -0.32 1.24 5.04 -1.26 -4.95 117.35 115.56 1lud s TYR 68 Ca 0.41 -0.42 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 1lud s TYR 68 Cb 0.34 -4.23 0.01 0.00 0.35 0.00 0.00 41.96 38.43 1lud s TYR 68 CO 0.08 -5.48 0.14 -0.65 -1.34 0.00 0.00 175.55 168.30 1lud s GLN 69 N 4.41 3.11 -0.39 4.97 -1.52 -1.26 -5.02 119.66 123.95 1lud s GLN 69 Ca 0.87 -0.87 0.01 0.00 -1.95 0.00 0.00 55.36 53.43 1lud s GLN 69 Cb -0.42 -3.54 0.14 0.00 -0.22 0.00 0.00 33.01 28.98 1lud s GLN 69 CO 0.41 -0.50 0.24 0.00 -0.25 0.00 0.00 175.29 175.19 1lud s ALA 70 N 1.55 1.35 -0.06 6.09 0.00 -1.26 -5.10 121.76 124.33 1lud s ALA 70 Ca 0.03 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.53 1lud s ALA 70 Cb -0.18 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1lud s ALA 70 CO 0.05 -2.08 1.19 -0.65 0.00 0.00 0.00 175.76 174.27 1lud s GLN 71 N 0.70 4.36 0.00 0.00 -0.21 -1.26 -3.02 119.66 120.23 1lud s GLN 71 Ca 0.20 1.66 0.00 0.00 0.02 0.00 0.00 55.36 57.24 1lud s GLN 71 Cb -0.19 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1lud s GLN 71 CO -0.02 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.12 1lud n GLY 72 N 3.35 2.81 3.57 3.09 0.00 -1.26 -4.92 105.19 111.82 1lud n GLY 72 Ca 0.11 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.99 2.98 0.47 4.61 0.00 -1.17 -4.83 121.76 122.83 1lud s ALA 73 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 1lud s ALA 73 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 1lud s ALA 73 CO 0.00 0.52 1.31 0.08 0.00 0.00 0.00 175.76 177.67 1lud s VAL 74 N -0.62 2.45 -0.08 0.00 1.01 0.90 -4.72 120.40 119.33 1lud s VAL 74 Ca 0.09 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1lud s VAL 74 Cb -0.12 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1lud s VAL 74 CO 0.02 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.28 1lud s VAL 75 N -1.32 1.51 0.05 2.92 1.01 -1.26 0.13 120.40 123.43 1lud s VAL 75 Ca 0.64 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1lud s VAL 75 Cb -0.38 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1lud s VAL 75 CO 0.47 0.44 -0.07 0.68 0.00 0.00 0.00 175.10 176.61 1lud s VAL 76 N 0.54 0.52 -0.12 2.92 -7.23 -0.57 -4.93 120.40 111.52 1lud s VAL 76 Ca -0.16 -1.25 0.15 0.00 -1.81 0.00 0.00 61.98 58.90 1lud s VAL 76 Cb -0.17 -0.81 0.35 0.00 0.56 0.00 0.00 36.38 36.31 1lud s VAL 76 CO 0.06 -0.51 1.17 1.41 -0.31 0.00 0.00 175.10 176.92 1lud n HIS 77 N 1.14 0.00 -3.22 2.82 8.25 -1.26 -2.43 115.22 120.51 1lud n HIS 77 Ca -0.21 -1.01 0.04 0.00 -0.26 0.00 0.00 57.72 56.28 1lud n HIS 77 Cb 0.56 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.65 -0.65 0.54 0.41 2.15 -1.26 -4.90 116.67 110.31 1lud s ASP 78 Ca 0.32 0.54 0.47 0.00 0.43 0.00 0.00 52.55 54.30 1lud s ASP 78 Cb 0.31 1.60 1.69 0.00 -0.30 0.00 0.00 42.92 46.22 1lud s ASP 78 CO -0.06 -0.12 1.60 0.58 -0.17 0.00 0.00 175.17 177.00 1lud h VAL 79 N 5.49 0.05 -0.73 1.11 2.07 -1.99 0.83 116.25 123.08 1lud h VAL 79 Ca -0.16 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1lud h VAL 79 Cb 1.15 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1lud h VAL 79 CO 0.02 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.05 1lud h ALA 80 N 1.13 0.98 -0.14 1.67 0.00 -2.00 -1.01 119.26 119.88 1lud h ALA 80 Ca 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.77 1lud h ALA 80 Cb 3.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 21.09 1lud h ALA 80 CO -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 1lud h ALA 81 N 1.34 0.20 -0.78 0.00 0.00 0.28 -2.83 119.26 117.47 1lud h ALA 81 Ca 0.31 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1lud h ALA 81 Cb 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1lud h ALA 81 CO -0.15 -0.06 0.38 0.28 0.00 0.00 0.00 179.25 179.70 1lud h VAL 82 N -0.02 0.76 -0.19 0.00 2.07 -1.32 0.20 116.25 117.76 1lud h VAL 82 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1lud h VAL 82 Cb 0.44 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1lud h VAL 82 CO 0.01 0.11 0.07 -0.26 0.02 0.00 0.00 177.57 177.52 1lud h PHE 83 N 0.59 0.25 0.76 1.57 0.04 -1.07 -2.89 116.94 116.19 1lud h PHE 83 Ca 0.41 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.14 1lud h PHE 83 Cb 0.53 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1lud h PHE 83 CO -0.11 0.21 -0.37 0.00 -0.60 0.00 0.00 178.31 177.44 1lud h ALA 84 N 1.82 -1.02 -0.60 2.45 0.00 -0.35 -2.05 119.26 119.51 1lud h ALA 84 Ca 0.07 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1lud h ALA 84 Cb 0.06 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1lud h ALA 84 CO -0.01 -1.02 -0.39 -0.92 0.00 0.00 0.00 179.25 176.91 1lud h TYR 85 N -1.13 -1.12 -0.50 0.00 3.20 -1.29 0.38 116.97 116.51 1lud h TYR 85 Ca -0.10 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.91 1lud h TYR 85 Cb 0.80 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 39.59 1lud h TYR 85 CO -0.01 -0.41 0.18 0.00 -1.64 0.00 0.00 178.16 176.28 1lud h ALA 86 N 0.81 0.61 0.00 1.82 0.00 -1.53 0.25 119.26 121.22 1lud h ALA 86 Ca 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1lud h ALA 86 Cb 0.56 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lud h ALA 86 CO -0.70 -0.22 -0.11 -0.22 0.00 0.00 0.00 179.25 178.01 1lud h LYS 87 N 0.35 0.00 -0.25 0.00 3.64 -0.18 -1.45 116.57 118.68 1lud h LYS 87 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1lud h LYS 87 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1lud h LYS 87 CO -0.24 0.11 0.00 1.04 -2.27 0.00 0.00 179.45 178.08 1lud n GLN 88 N -3.96 2.23 -4.06 1.90 6.02 0.11 -4.80 117.38 114.81 1lud n GLN 88 Ca -0.02 -1.84 -0.32 0.00 -0.01 0.00 0.00 57.00 54.81 1lud n GLN 88 Cb 0.20 -1.47 -0.15 0.00 1.02 0.00 0.00 30.24 29.83 1lud n GLN 88 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1lud s HIS 89 N -1.69 3.14 -2.00 1.08 3.76 0.59 -4.96 115.29 115.22 1lud s HIS 89 Ca 0.35 -2.21 0.22 0.00 -0.15 0.00 0.00 55.06 53.28 1lud s HIS 89 Cb 0.21 -1.90 1.31 0.00 1.11 0.00 0.00 32.58 33.31 1lud s HIS 89 CO 0.30 -0.86 1.85 -0.35 -0.85 0.00 0.00 174.74 174.83 1lud n PRO 90 N 4.47 1.00 -0.06 8.40 -0.04 -1.26 -3.34 135.00 144.17 1lud n PRO 90 Ca -0.15 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1lud n PRO 90 Cb 0.43 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.84 0.00 -3.40 3.54 9.92 -1.26 -5.00 116.55 119.51 1lud n ASP 91 Ca 0.17 -1.12 -0.17 0.00 -0.53 0.00 0.00 54.79 53.13 1lud n ASP 91 Cb 0.08 -0.02 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 1lud n ASP 91 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1lud s GLN 92 N 0.00 0.33 0.00 -1.24 0.74 -1.21 -4.66 119.66 113.62 1lud s GLN 92 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1lud s GLN 92 Cb 0.00 -0.67 0.00 0.00 1.10 0.00 0.00 33.01 33.44 1lud s GLN 92 CO 0.00 -1.04 0.00 0.39 -0.55 0.00 0.00 175.29 174.09 1lud n GLU 93 N 5.27 1.15 -3.65 1.67 1.02 -1.26 -4.49 120.64 120.34 1lud n GLU 93 Ca -0.02 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1lud n GLU 93 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.77 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 4.13 -0.15 -4.62 2.96 -1.26 -2.41 118.68 117.33 1lud s LEU 94 Ca 0.00 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1lud s LEU 94 Cb 0.00 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 1lud s LEU 94 CO 0.00 -0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.97 1lud s VAL 95 N 1.61 2.54 0.25 1.68 1.01 0.12 0.75 120.40 128.36 1lud s VAL 95 Ca 0.04 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1lud s VAL 95 Cb -0.17 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 1lud s VAL 95 CO 0.06 0.53 0.69 -0.63 0.00 0.00 0.00 175.10 175.75 1lud s ILE 96 N 0.74 4.67 0.00 2.22 -1.09 0.45 0.33 121.20 128.52 1lud s ILE 96 Ca -0.07 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1lud s ILE 96 Cb -0.16 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1lud s ILE 96 CO 0.01 0.06 0.23 0.00 -1.23 0.00 0.00 174.94 174.00 1lud n ALA 97 N 0.30 1.37 0.00 9.38 0.00 0.13 -2.08 120.51 129.61 1lud n ALA 97 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 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 0.12 -1.84 0.00 0.00 0.00 -1.14 -4.91 105.19 97.42 1lud n GLY 98 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.12 0.34 -0.02 0.00 -1.26 0.26 105.19 103.38 1lud n GLY 99 Ca 0.00 -1.14 -0.03 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 1.25 -1.00 4.61 0.00 -1.93 -2.44 119.26 117.75 1lud h ALA 100 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1lud h ALA 100 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 1lud h ALA 100 CO 0.00 0.58 0.65 1.96 0.00 0.00 0.00 179.25 182.44 1lud h GLN 101 N 1.04 1.13 0.00 0.00 4.20 -1.96 -1.50 115.11 118.01 1lud h GLN 101 Ca 0.26 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1lud h GLN 101 Cb 0.09 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1lud h GLN 101 CO -0.03 0.74 -0.50 0.82 -0.67 0.00 0.00 178.83 179.19 1lud h ILE 102 N 1.16 0.97 0.00 2.54 1.08 -1.68 -3.03 117.51 118.56 1lud h ILE 102 Ca 0.44 -2.01 -0.04 0.00 -0.39 0.00 0.00 64.86 62.86 1lud h ILE 102 Cb 0.19 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1lud h ILE 102 CO -0.18 0.49 -0.17 -0.26 -0.69 0.00 0.00 178.15 177.33 1lud h PHE 103 N 0.00 0.00 0.00 1.37 0.04 -0.98 -2.92 116.94 114.45 1lud h PHE 103 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1lud h PHE 103 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 1lud h PHE 103 CO 0.00 0.17 -0.10 1.15 -0.60 0.00 0.00 178.31 178.94 1lud h THR 104 N 0.00 1.38 0.00 -1.55 2.02 -1.30 -1.11 112.91 112.35 1lud h THR 104 Ca -0.00 -2.07 -0.02 0.00 0.77 0.00 0.00 66.41 65.08 1lud h THR 104 Cb 0.83 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1lud h THR 104 CO 0.02 0.47 -0.10 0.00 0.37 0.00 0.00 175.52 176.28 1lud h ALA 105 N -0.23 1.69 -0.01 6.16 0.00 -1.62 -2.05 119.26 123.19 1lud h ALA 105 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lud h ALA 105 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1lud h ALA 105 CO -0.02 0.13 -0.55 1.19 0.00 0.00 0.00 179.25 180.00 1lud n PHE 106 N -4.21 0.00 -0.19 0.00 3.01 -1.10 -4.39 117.46 110.58 1lud n PHE 106 Ca -0.03 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.49 1lud n PHE 106 Cb 0.18 -0.02 0.33 0.00 -0.01 0.00 0.00 39.48 39.96 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 1.77 0.78 -0.47 -1.08 5.09 -0.43 -1.93 116.57 120.30 1lud h LYS 107 Ca 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 60.65 60.62 1lud h LYS 107 Cb 0.67 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 32.81 1lud h LYS 107 CO 0.00 0.52 -0.02 0.22 -2.09 0.00 0.00 179.45 178.08 1lud h ASP 108 N 0.80 0.75 -3.84 7.07 3.58 -1.77 -3.35 116.42 119.67 1lud h ASP 108 Ca 0.31 -0.19 -0.73 0.00 0.42 0.00 0.00 57.03 56.85 1lud h ASP 108 Cb 0.20 -0.20 -0.33 0.00 1.72 0.00 0.00 39.33 40.73 1lud h ASP 108 CO -0.10 0.83 -0.13 -1.81 -2.88 0.00 0.00 179.24 175.15 1lud s ASP 109 N -6.65 5.93 0.11 2.28 1.11 -0.72 -5.05 116.67 113.68 1lud s ASP 109 Ca -0.09 -3.11 0.10 0.00 0.18 0.00 0.00 52.55 49.62 1lud s ASP 109 Cb 0.15 -1.98 -0.04 0.00 1.07 0.00 0.00 42.92 42.12 1lud s ASP 109 CO 0.81 -0.36 -0.21 -0.69 1.18 0.00 0.00 175.17 175.90 1lud s VAL 110 N -0.45 2.61 0.00 -1.27 1.01 -1.25 -4.48 120.40 116.58 1lud s VAL 110 Ca 0.21 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1lud s VAL 110 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1lud s VAL 110 CO -0.07 0.12 0.00 -0.67 0.00 0.00 0.00 175.10 174.48 1lud n ASP 111 N 0.91 2.79 -3.73 3.32 -0.08 0.59 -4.78 116.55 115.57 1lud n ASP 111 Ca -0.17 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.98 1lud n ASP 111 Cb 0.53 0.12 -0.14 0.00 2.34 0.00 0.00 41.12 43.97 1lud n ASP 111 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lud s THR 112 N -1.64 -0.06 -0.16 5.18 2.01 -1.06 -1.08 115.64 118.83 1lud s THR 112 Ca 0.00 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1lud s THR 112 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1lud s THR 112 CO 0.00 0.07 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.24 1lud s LEU 113 N 1.29 3.46 -0.43 4.42 1.43 -0.42 -0.18 118.68 128.26 1lud s LEU 113 Ca -0.09 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1lud s LEU 113 Cb -0.11 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.39 1lud s LEU 113 CO -0.07 0.19 0.19 -0.76 0.23 0.00 0.00 176.35 176.13 1lud s LEU 114 N 0.22 3.60 0.02 1.79 1.43 0.31 0.85 118.68 126.90 1lud s LEU 114 Ca -0.00 -2.53 0.06 0.00 -1.03 0.00 0.00 54.13 50.63 1lud s LEU 114 Cb -0.13 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1lud s LEU 114 CO 0.02 -0.30 -0.15 0.54 0.23 0.00 0.00 176.35 176.69 1lud s VAL 115 N 0.42 3.03 -0.15 -1.59 0.11 -0.46 -1.94 120.40 119.81 1lud s VAL 115 Ca 0.15 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1lud s VAL 115 Cb -0.23 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 1lud s VAL 115 CO -0.05 0.38 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.14 1lud s THR 116 N -0.92 3.51 -0.28 5.04 2.01 -1.00 -1.01 115.64 123.00 1lud s THR 116 Ca 0.15 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1lud s THR 116 Cb -0.11 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1lud s THR 116 CO 0.05 0.50 0.07 -0.13 -0.69 0.00 0.00 174.62 174.42 1lud s ARG 117 N 0.49 3.30 0.45 4.92 0.52 -0.85 0.56 118.95 128.34 1lud s ARG 117 Ca -0.06 -0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 1lud s ARG 117 Cb -0.15 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 1lud s ARG 117 CO 0.03 -0.35 0.82 -0.51 0.02 0.00 0.00 175.30 175.31 1lud s LEU 118 N 1.54 3.70 0.17 2.53 1.02 -0.53 -1.75 118.68 125.36 1lud s LEU 118 Ca 0.04 1.14 0.15 0.00 0.02 0.00 0.00 54.13 55.47 1lud s LEU 118 Cb -0.16 -4.06 -0.05 0.00 0.02 0.00 0.00 46.19 41.94 1lud s LEU 118 CO 0.03 -0.51 1.18 0.00 0.02 0.00 0.00 176.35 177.07 1lud h ALA 119 N 0.80 0.63 -2.50 4.21 0.00 -0.62 -2.48 119.26 119.30 1lud h ALA 119 Ca -0.47 -0.68 -0.47 0.00 0.00 0.00 0.00 54.91 53.29 1lud h ALA 119 Cb 1.19 0.05 0.12 0.00 0.00 0.00 0.00 17.79 19.15 1lud h ALA 119 CO 0.63 0.84 0.34 0.20 0.00 0.00 0.00 179.25 181.25 1lud s GLY 120 N -4.63 1.59 -0.18 0.00 0.00 -1.17 -4.76 107.32 98.18 1lud s GLY 120 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1lud s GLY 120 CO 0.78 0.04 -0.13 -0.45 0.00 0.00 0.00 173.10 173.33 1lud s SER 121 N -4.14 3.07 0.29 1.64 0.15 -1.26 -3.31 113.70 110.15 1lud s SER 121 Ca 0.62 -0.69 0.09 0.00 0.70 0.00 0.00 55.95 56.67 1lud s SER 121 Cb -0.14 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1lud s SER 121 CO 0.53 -0.09 0.10 -0.36 1.20 0.00 0.00 173.24 174.62 1lud s PHE 122 N 1.41 2.79 0.30 3.44 0.40 -1.26 -5.08 117.98 119.98 1lud s PHE 122 Ca 0.02 -0.26 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1lud s PHE 122 Cb -0.14 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1lud s PHE 122 CO -0.10 0.48 -0.07 -1.21 0.70 0.00 0.00 175.22 175.02 1lud s GLU 123 N -3.78 1.97 0.00 0.44 0.41 -1.26 -4.89 118.70 111.59 1lud s GLU 123 Ca 0.34 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 1lud s GLU 123 Cb -0.05 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1lud s GLU 123 CO 0.22 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 1lud n GLY 124 N -0.81 -0.70 0.00 -1.39 0.00 -1.26 -4.85 105.19 96.18 1lud n GLY 124 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1lud n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lud n ASP 125 N 0.00 0.99 -4.42 1.61 -0.08 -1.26 -5.01 116.55 108.37 1lud n ASP 125 Ca 0.00 -0.04 -0.38 0.00 -1.51 0.00 0.00 54.79 52.86 1lud n ASP 125 Cb 0.00 0.27 -0.12 0.00 2.34 0.00 0.00 41.12 43.61 1lud n ASP 125 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lud s THR 126 N -0.47 4.44 0.26 5.18 2.01 -1.26 -5.08 115.64 120.72 1lud s THR 126 Ca 0.00 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.68 1lud s THR 126 Cb 0.00 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1lud s THR 126 CO 0.00 0.12 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.34 1lud s LYS 127 N 1.59 1.56 0.79 4.92 1.02 -1.26 -3.34 119.74 125.03 1lud s LYS 127 Ca 0.05 -1.72 -0.12 0.00 0.02 0.00 0.00 55.97 54.19 1lud s LYS 127 Cb -0.17 -1.50 0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1lud s LYS 127 CO 0.05 0.25 1.14 1.41 -0.92 0.00 0.00 175.35 177.28 1lud s MET 128 N -3.58 1.89 0.89 1.68 1.75 -1.21 -4.88 119.30 115.84 1lud s MET 128 Ca 0.28 1.47 -0.12 0.00 -1.25 0.00 0.00 55.69 56.07 1lud s MET 128 Cb -0.02 -1.83 0.12 0.00 2.84 0.00 0.00 34.83 35.94 1lud s MET 128 CO 0.12 -1.97 1.12 0.96 -0.65 0.00 0.00 175.02 174.60 1lud s ILE 129 N -2.52 2.33 -0.64 10.11 -4.36 -1.26 -4.97 121.20 119.90 1lud s ILE 129 Ca 0.67 0.11 -0.28 0.00 -0.26 0.00 0.00 60.65 60.89 1lud s ILE 129 Cb -0.22 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.69 1lud s ILE 129 CO 0.52 -0.14 1.32 -2.16 0.24 0.00 0.00 174.94 174.72 1lud s PRO 130 N -5.20 3.28 0.37 0.37 0.05 -1.26 -5.03 135.00 127.59 1lud s PRO 130 Ca 0.63 0.14 -0.01 0.00 0.05 0.00 0.00 61.00 61.81 1lud s PRO 130 Cb -0.15 -4.13 -0.03 0.00 0.05 0.00 0.00 34.50 30.24 1lud s PRO 130 CO 0.54 -1.99 0.60 -0.51 0.05 0.00 0.00 177.00 175.69 1lud s LEU 131 N 5.78 3.93 -1.13 -3.56 1.43 -1.26 -5.01 118.68 118.86 1lud s LEU 131 Ca 0.44 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1lud s LEU 131 Cb -0.09 -3.44 0.27 0.00 0.03 0.00 0.00 46.19 42.96 1lud s LEU 131 CO 0.21 -0.35 1.59 -3.20 0.23 0.00 0.00 176.35 174.82 1lud n ASN 132 N -1.86 6.08 -0.04 2.29 5.15 -1.26 -4.80 115.26 120.82 1lud n ASN 132 Ca -0.04 -3.33 0.24 0.00 -0.60 0.00 0.00 54.58 50.84 1lud n ASN 132 Cb 0.56 -1.33 0.72 0.00 -0.53 0.00 0.00 39.78 39.20 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 5.52 0.00 0.00 1.20 4.06 -1.95 0.41 115.95 125.20 1lud h TRP 133 Ca 0.25 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.17 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 1.08 0.00 -0.14 0.22 -3.56 0.00 0.00 178.44 176.04 1lud h ASP 134 N 0.00 0.00 0.51 -3.49 1.82 -2.05 -1.75 116.42 111.46 1lud h ASP 134 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1lud h ASP 134 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1lud h ASP 134 CO -0.00 0.14 -0.57 -0.67 -1.61 0.00 0.00 179.24 176.52 1lud n ASP 135 N -3.74 0.55 -4.66 2.28 -0.08 0.14 -4.91 116.55 106.13 1lud n ASP 135 Ca -0.02 -0.24 -0.25 0.00 -1.51 0.00 0.00 54.79 52.77 1lud n ASP 135 Cb 0.25 0.31 -0.08 0.00 2.34 0.00 0.00 41.12 43.93 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 -3.03 2.57 -0.04 -0.67 0.40 -0.66 -4.26 117.98 112.29 1lud s PHE 136 Ca 0.10 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1lud s PHE 136 Cb 0.17 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 42.05 1lud s PHE 136 CO 0.72 0.39 -0.06 0.99 0.70 0.00 0.00 175.22 177.95 1lud s THR 137 N -2.56 0.61 -0.12 0.64 2.01 -1.12 -4.89 115.64 110.21 1lud s THR 137 Ca 0.37 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1lud s THR 137 Cb 0.02 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1lud s THR 137 CO 0.20 0.23 1.40 -0.75 -0.69 0.00 0.00 174.62 175.01 1lud s LYS 138 N 0.65 4.22 -0.09 4.92 2.36 -1.26 -1.79 119.74 128.74 1lud s LYS 138 Ca -0.09 1.85 0.20 0.00 -2.55 0.00 0.00 55.97 55.38 1lud s LYS 138 Cb -0.12 -3.83 -0.30 0.00 -1.05 0.00 0.00 37.83 32.52 1lud s LYS 138 CO 0.01 -0.75 0.34 1.33 1.55 0.00 0.00 175.35 177.83 1lud n VAL 139 N 5.39 0.54 -3.80 4.02 0.24 -0.11 -4.96 118.33 119.66 1lud n VAL 139 Ca 0.15 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 1lud n VAL 139 Cb 0.44 -0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.50 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 -4.91 -0.17 -0.16 -1.34 0.01 -1.18 -5.04 113.70 100.91 1lud s SER 140 Ca -0.09 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 1lud s SER 140 Cb 0.11 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.71 1lud s SER 140 CO 0.88 -0.08 0.40 -0.44 0.41 0.00 0.00 173.24 174.41 1lud s SER 141 N 0.35 -0.45 -0.07 2.44 0.01 -1.26 -0.79 113.70 113.93 1lud s SER 141 Ca -0.02 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.09 1lud s SER 141 Cb -0.03 0.79 0.02 0.00 0.21 0.00 0.00 66.02 67.00 1lud s SER 141 CO -0.01 -0.16 -0.11 -0.60 0.41 0.00 0.00 173.24 172.77 1lud s ARG 142 N 0.64 1.59 -0.19 12.44 6.06 -0.87 -4.95 118.95 133.67 1lud s ARG 142 Ca -0.03 -0.37 -0.08 0.00 -2.50 0.00 0.00 55.73 52.75 1lud s ARG 142 Cb -0.05 -1.36 -0.04 0.00 0.06 0.00 0.00 34.95 33.56 1lud s ARG 142 CO -0.04 -0.01 0.08 0.99 -2.50 0.00 0.00 175.30 173.82 1lud s THR 143 N 0.79 4.88 -0.06 4.11 2.01 -1.26 -0.57 115.64 125.54 1lud s THR 143 Ca -0.12 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1lud s THR 143 Cb -0.15 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1lud s THR 143 CO 0.02 0.44 -0.12 0.54 -0.69 0.00 0.00 174.62 174.81 1lud s VAL 144 N 0.53 1.08 0.51 3.82 0.11 -0.95 -5.02 120.40 120.48 1lud s VAL 144 Ca 0.04 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1lud s VAL 144 Cb -0.13 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1lud s VAL 144 CO 0.01 0.34 0.80 -1.61 -3.33 0.00 0.00 175.10 171.30 1lud s GLU 145 N 0.63 3.27 0.06 1.54 2.02 -1.26 -2.85 118.70 122.11 1lud s GLU 145 Ca -0.13 0.01 0.01 0.00 0.02 0.00 0.00 54.97 54.88 1lud s GLU 145 Cb -0.15 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 1lud s GLU 145 CO 0.03 -0.36 -0.06 0.34 0.02 0.00 0.00 175.26 175.24 1lud s ASP 146 N -4.18 0.81 0.45 -0.19 2.15 -1.26 -4.91 116.67 109.54 1lud s ASP 146 Ca 0.49 -0.76 0.31 0.00 0.43 0.00 0.00 52.55 53.02 1lud s ASP 146 Cb -0.10 0.09 1.63 0.00 -0.30 0.00 0.00 42.92 44.23 1lud s ASP 146 CO 0.44 -0.36 1.94 0.71 -0.17 0.00 0.00 175.17 177.73 1lud h THR 147 N 3.82 0.00 -3.22 1.71 1.35 -1.99 -3.41 112.91 111.17 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 0.76 -0.15 0.00 -1.73 0.00 0.00 68.15 68.21 1lud h THR 147 CO 0.52 0.00 -0.58 0.21 -0.25 0.00 0.00 175.52 175.42 1lud s ASN 148 N -4.54 5.50 0.18 5.36 2.47 -1.26 -5.01 114.94 117.64 1lud s ASN 148 Ca -0.03 0.12 -0.16 0.00 0.42 0.00 0.00 52.86 53.21 1lud s ASN 148 Cb 0.09 -1.82 0.13 0.00 -1.45 0.00 0.00 41.25 38.20 1lud s ASN 148 CO 0.31 0.26 1.65 -0.65 -3.72 0.00 0.00 177.10 174.95 1lud h PRO 149 N 6.08 -0.01 0.04 0.43 0.10 -1.99 -2.34 132.00 134.30 1lud h PRO 149 Ca -0.42 0.00 -0.24 0.00 0.10 0.00 0.00 66.00 65.45 1lud h PRO 149 Cb 1.18 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 1lud h PRO 149 CO 0.64 -0.01 -1.12 0.00 0.10 0.00 0.00 178.00 177.61 1lud h ALA 150 N 1.43 0.29 0.00 -0.75 0.00 -1.94 -3.24 119.26 115.05 1lud h ALA 150 Ca 0.22 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1lud h ALA 150 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lud h ALA 150 CO -0.48 1.18 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1lud n LEU 151 N -3.39 0.00 -4.77 0.00 4.77 -0.92 -3.06 117.00 109.63 1lud n LEU 151 Ca -0.04 0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 1lud n LEU 151 Cb 0.97 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1lud n LEU 151 CO 0.49 -0.26 0.87 -0.89 -1.33 0.00 0.00 177.39 176.27 1lud s THR 152 N -2.87 2.89 0.13 -5.08 2.01 -1.00 -4.66 115.64 107.06 1lud s THR 152 Ca 0.07 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 1lud s THR 152 Cb 0.08 -3.37 0.07 0.00 0.01 0.00 0.00 72.50 69.29 1lud s THR 152 CO 0.21 0.02 1.03 -1.38 -0.69 0.00 0.00 174.62 173.80 1lud s HIS 153 N -1.45 -0.08 0.10 4.92 -3.43 -1.13 -0.14 115.29 114.08 1lud s HIS 153 Ca 0.63 -0.20 0.05 0.00 -0.80 0.00 0.00 55.06 54.73 1lud s HIS 153 Cb -0.32 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1lud s HIS 153 CO 0.39 -0.75 -0.12 0.99 -2.00 0.00 0.00 174.74 173.25 1lud s THR 154 N -2.98 1.09 -0.22 -5.38 2.01 -0.72 -2.24 115.64 107.20 1lud s THR 154 Ca 0.14 -1.63 -0.07 0.00 0.31 0.00 0.00 61.69 60.44 1lud s THR 154 Cb -0.01 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1lud s THR 154 CO 0.02 -0.48 0.05 -0.31 -0.69 0.00 0.00 174.62 173.21 1lud s TYR 155 N -2.23 3.11 -0.19 4.92 2.02 0.27 -2.00 117.35 123.25 1lud s TYR 155 Ca 0.06 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1lud s TYR 155 Cb -0.04 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1lud s TYR 155 CO 0.01 -0.21 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.46 1lud s GLU 156 N 1.17 3.22 -0.16 -0.62 2.02 -0.18 -2.05 118.70 122.11 1lud s GLU 156 Ca 0.04 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 1lud s GLU 156 Cb -0.14 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 1lud s GLU 156 CO 0.03 -0.14 -0.10 0.08 0.02 0.00 0.00 175.26 175.14 1lud s VAL 157 N 1.25 3.17 0.31 2.63 1.01 0.03 -1.36 120.40 127.44 1lud s VAL 157 Ca 0.03 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1lud s VAL 157 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1lud s VAL 157 CO -0.05 0.50 -0.06 0.26 0.00 0.00 0.00 175.10 175.74 1lud s TRP 158 N 0.67 2.49 0.01 5.22 0.52 0.25 -0.93 118.94 127.17 1lud s TRP 158 Ca -0.05 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.70 1lud s TRP 158 Cb -0.15 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1lud s TRP 158 CO 0.02 0.58 -0.04 -0.65 0.02 0.00 0.00 176.95 176.89 1lud s GLN 159 N -3.64 0.31 -0.09 4.98 -0.21 -0.74 -1.30 119.66 118.97 1lud s GLN 159 Ca 0.33 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1lud s GLN 159 Cb -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 1lud s GLN 159 CO 0.18 0.03 1.15 0.21 -2.12 0.00 0.00 175.29 174.74 1lud s LYS 160 N -0.74 4.35 0.67 2.91 2.20 -0.24 -2.81 119.74 126.08 1lud s LYS 160 Ca -0.06 1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 57.03 1lud s LYS 160 Cb -0.05 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1lud s LYS 160 CO -0.00 -0.46 1.06 0.15 -0.36 0.00 0.00 175.35 175.74 1lud s LYS 161 N 2.36 3.17 0.00 4.03 -0.14 -1.26 -5.02 119.74 122.88 1lud s LYS 161 Ca 0.53 0.69 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 1lud s LYS 161 Cb -0.22 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1lud s LYS 161 CO 0.19 -0.86 0.00 0.00 -0.76 0.00 0.00 175.35 173.92