#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dug n PRO 2 N 0.00 1.59 -5.03 -1.46 -0.04 -1.26 -4.73 135.00 124.07 1dug n PRO 2 Ca 0.00 0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 63.71 1dug n PRO 2 Cb 0.00 -2.30 -0.16 0.00 -0.04 0.00 0.00 33.50 31.00 1dug n PRO 2 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dug s ILE 3 N -1.28 2.49 -0.26 0.52 1.01 0.11 -0.56 121.20 123.23 1dug s ILE 3 Ca 0.66 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1dug s ILE 3 Cb -0.49 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.00 1dug s ILE 3 CO 0.55 0.55 -0.01 -0.22 0.00 0.00 0.00 174.94 175.80 1dug s LEU 4 N 0.32 3.39 -0.11 2.97 2.96 0.56 -0.99 118.68 127.78 1dug s LEU 4 Ca -0.15 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 52.95 1dug s LEU 4 Cb -0.17 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1dug s LEU 4 CO 0.07 -0.14 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.08 1dug s GLY 5 N 1.39 1.71 0.06 7.98 0.00 -0.11 -1.12 107.32 117.23 1dug s GLY 5 Ca 0.01 -0.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 1dug s GLY 5 CO -0.02 -0.37 1.16 -0.47 0.00 0.00 0.00 173.10 173.40 1dug s TYR 6 N -0.24 -0.03 0.69 1.90 5.04 -0.94 -1.69 117.35 122.08 1dug s TYR 6 Ca 0.04 -0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.34 1dug s TYR 6 Cb -0.13 0.60 0.02 0.00 0.35 0.00 0.00 41.96 42.80 1dug s TYR 6 CO 0.02 -0.54 1.14 -1.58 -1.34 0.00 0.00 175.55 173.26 1dug s TRP 7 N -2.53 2.40 -1.51 4.97 0.52 -1.26 -1.64 118.94 119.89 1dug s TRP 7 Ca 0.17 1.57 -0.13 0.00 0.02 0.00 0.00 56.10 57.74 1dug s TRP 7 Cb 0.01 -3.28 -0.00 0.00 -1.15 0.00 0.00 33.47 29.05 1dug s TRP 7 CO -0.00 -2.03 2.47 1.17 0.02 0.00 0.00 176.95 178.58 1dug n LYS 8 N -2.56 3.13 -4.08 4.98 4.81 -0.34 -4.70 118.16 119.40 1dug n LYS 8 Ca 0.11 -2.48 -0.11 0.00 -0.87 0.00 0.00 58.31 54.97 1dug n LYS 8 Cb 0.51 -3.13 -0.07 0.00 0.02 0.00 0.00 35.03 32.36 1dug n LYS 8 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1dug s ILE 9 N 2.85 0.00 0.00 3.15 -4.36 -1.26 -4.62 121.20 116.96 1dug s ILE 9 Ca 0.54 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1dug s ILE 9 Cb 0.15 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1dug s ILE 9 CO -0.08 0.00 0.36 0.29 0.24 0.00 0.00 174.94 175.75 1dug n LYS 10 N -0.36 0.00 0.00 0.37 5.02 -0.64 -4.77 118.16 117.78 1dug n LYS 10 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1dug n LYS 10 Cb 0.63 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1dug n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dug n GLY 11 N 0.90 1.56 0.30 0.72 0.00 -0.68 -2.43 105.19 105.56 1dug n GLY 11 Ca 0.00 -0.39 0.18 0.00 0.00 0.00 0.00 46.02 45.81 1dug n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dug h LEU 12 N 0.00 0.00 -0.19 0.99 3.38 -1.91 -3.24 115.31 114.34 1dug h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dug h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dug h LEU 12 CO 0.00 0.03 -0.85 0.55 0.09 0.00 0.00 178.44 178.26 1dug n VAL 13 N -3.34 0.00 -0.19 1.22 3.14 -1.14 -4.59 118.33 113.43 1dug n VAL 13 Ca -0.02 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1dug n VAL 13 Cb 0.16 1.05 0.10 0.00 -1.06 0.00 0.00 33.84 34.09 1dug n VAL 13 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1dug h GLN 14 N 0.45 0.28 -0.54 1.45 5.75 -1.51 -0.30 115.11 120.68 1dug h GLN 14 Ca 0.00 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1dug h GLN 14 Cb 0.52 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1dug h GLN 14 CO 0.00 0.18 0.36 -1.35 -2.65 0.00 0.00 178.83 175.37 1dug h PRO 15 N 0.28 0.58 -0.50 -2.39 0.11 -1.83 -1.14 132.00 127.12 1dug h PRO 15 Ca 0.30 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 1dug h PRO 15 Cb 0.43 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1dug h PRO 15 CO -0.37 0.39 -0.06 1.15 -0.21 0.00 0.00 178.00 178.90 1dug h THR 16 N 0.60 1.27 -0.53 -1.15 2.02 -1.38 -1.34 112.91 112.39 1dug h THR 16 Ca 0.22 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1dug h THR 16 Cb 0.12 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1dug h THR 16 CO -0.06 0.41 0.31 0.03 0.37 0.00 0.00 175.52 176.58 1dug h ARG 17 N 0.78 0.72 -0.85 6.66 3.08 -0.40 -0.90 114.38 123.47 1dug h ARG 17 Ca 0.13 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1dug h ARG 17 Cb 0.60 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1dug h ARG 17 CO 0.04 0.54 0.48 -0.07 -1.07 0.00 0.00 179.97 179.88 1dug h LEU 18 N 0.70 1.04 -0.34 3.04 3.38 -1.04 -0.97 115.31 121.13 1dug h LEU 18 Ca 0.19 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1dug h LEU 18 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1dug h LEU 18 CO -0.03 0.83 -0.00 0.25 0.09 0.00 0.00 178.44 179.58 1dug h LEU 19 N 1.17 0.58 -0.72 1.67 5.85 -0.93 0.14 115.31 123.07 1dug h LEU 19 Ca 0.30 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1dug h LEU 19 Cb 0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1dug h LEU 19 CO -0.05 0.75 0.47 -0.07 -0.34 0.00 0.00 178.44 179.19 1dug h LEU 20 N 0.40 0.78 -0.42 2.25 3.38 -0.85 -0.16 115.31 120.70 1dug h LEU 20 Ca 0.10 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1dug h LEU 20 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1dug h LEU 20 CO 0.02 0.56 -0.17 -0.33 0.09 0.00 0.00 178.44 178.61 1dug h GLU 21 N 0.93 0.85 -0.86 1.13 4.39 -1.03 -1.17 114.58 118.82 1dug h GLU 21 Ca 0.28 -0.35 0.09 0.00 0.34 0.00 0.00 59.36 59.71 1dug h GLU 21 Cb -0.04 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.50 1dug h GLU 21 CO -0.08 0.99 0.51 -0.92 -1.16 0.00 0.00 179.01 178.34 1dug h TYR 22 N 0.67 0.93 -0.00 4.33 3.20 -0.18 0.12 116.97 126.03 1dug h TYR 22 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1dug h TYR 22 Cb 0.72 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1dug h TYR 22 CO 0.05 0.41 -0.02 1.28 -1.64 0.00 0.00 178.16 178.24 1dug n LEU 23 N -4.69 0.36 -3.54 2.82 4.77 -0.12 -4.90 117.00 111.70 1dug n LEU 23 Ca 0.14 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 1dug n LEU 23 Cb 0.26 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1dug n LEU 23 CO 0.28 0.06 0.03 -0.62 -1.33 0.00 0.00 177.39 175.81 1dug n GLU 24 N -0.83 -4.48 -3.21 3.23 1.02 0.41 -4.93 120.64 111.85 1dug n GLU 24 Ca 0.20 0.60 -0.39 0.00 -0.02 0.00 0.00 57.16 57.54 1dug n GLU 24 Cb 0.21 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.16 1dug n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1dug s GLU 25 N -6.22 4.28 0.02 3.49 2.12 -0.55 -5.03 118.70 116.82 1dug s GLU 25 Ca 0.50 0.80 -0.30 0.00 0.36 0.00 0.00 54.97 56.33 1dug s GLU 25 Cb -0.25 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1dug s GLU 25 CO 0.61 0.56 0.98 0.15 -0.54 0.00 0.00 175.26 177.03 1dug s LYS 26 N -0.88 4.58 0.09 4.30 3.01 -1.26 -4.74 119.74 124.84 1dug s LYS 26 Ca 0.31 1.44 -0.18 0.00 -1.01 0.00 0.00 55.97 56.52 1dug s LYS 26 Cb -0.20 -3.44 0.04 0.00 -1.01 0.00 0.00 37.83 33.22 1dug s LYS 26 CO 0.20 -0.01 0.44 1.52 0.51 0.00 0.00 175.35 178.01 1dug s TYR 27 N 0.82 -0.28 0.13 3.18 1.13 -1.26 -4.41 117.35 116.65 1dug s TYR 27 Ca 0.51 0.11 0.08 0.00 -1.41 0.00 0.00 57.07 56.36 1dug s TYR 27 Cb -0.22 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1dug s TYR 27 CO 0.28 -0.67 -0.14 -1.21 -2.51 0.00 0.00 175.55 171.31 1dug s GLU 28 N -3.24 1.95 -0.01 -3.49 2.02 0.27 -5.00 118.70 111.21 1dug s GLU 28 Ca -0.01 -1.16 0.08 0.00 0.02 0.00 0.00 54.97 53.90 1dug s GLU 28 Cb 0.01 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1dug s GLU 28 CO -0.08 0.47 -0.26 -1.21 0.02 0.00 0.00 175.26 174.21 1dug s GLU 29 N -2.35 2.02 -0.43 1.61 2.02 -1.26 -0.32 118.70 119.99 1dug s GLU 29 Ca 0.21 -0.96 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 1dug s GLU 29 Cb -0.10 -2.01 0.09 0.00 0.10 0.00 0.00 34.13 32.21 1dug s GLU 29 CO 0.13 0.54 0.27 -1.58 0.02 0.00 0.00 175.26 174.64 1dug s HIS 30 N -0.65 3.37 -0.35 1.61 5.65 -0.28 -4.91 115.29 119.73 1dug s HIS 30 Ca 0.10 -1.66 -0.15 0.00 0.25 0.00 0.00 55.06 53.60 1dug s HIS 30 Cb -0.10 -3.07 -0.01 0.00 -1.18 0.00 0.00 32.58 28.23 1dug s HIS 30 CO -0.00 -0.88 0.34 -0.51 -0.65 0.00 0.00 174.74 173.03 1dug s LEU 31 N 1.39 4.50 -0.24 8.88 1.43 -1.26 -2.21 118.68 131.17 1dug s LEU 31 Ca 0.04 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1dug s LEU 31 Cb -0.24 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1dug s LEU 31 CO 0.01 -0.34 0.75 -0.31 0.23 0.00 0.00 176.35 176.70 1dug s TYR 32 N 1.96 3.31 0.90 0.29 2.02 -0.65 -4.80 117.35 120.38 1dug s TYR 32 Ca 0.10 1.03 -0.12 0.00 -0.37 0.00 0.00 57.07 57.71 1dug s TYR 32 Cb -0.17 -2.97 0.13 0.00 -0.40 0.00 0.00 41.96 38.56 1dug s TYR 32 CO 0.11 -0.36 1.12 -1.21 -1.57 0.00 0.00 175.55 173.65 1dug s GLU 33 N 2.65 1.20 0.34 -0.62 0.41 -1.26 -1.19 118.70 120.22 1dug s GLU 33 Ca 0.32 0.45 0.11 0.00 -0.41 0.00 0.00 54.97 55.44 1dug s GLU 33 Cb -0.15 -1.83 0.91 0.00 -1.78 0.00 0.00 34.13 31.28 1dug s GLU 33 CO 0.08 -2.19 1.76 -0.09 -0.49 0.00 0.00 175.26 174.33 1dug h ARG 34 N -1.50 0.56 -0.46 1.61 2.43 -1.96 -0.98 114.38 114.08 1dug h ARG 34 Ca -0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1dug h ARG 34 Cb 1.32 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1dug h ARG 34 CO 0.60 0.37 0.00 -0.25 -1.51 0.00 0.00 179.97 179.18 1dug n ASP 35 N -4.77 5.00 -1.64 -3.80 10.43 -1.26 -4.49 116.55 116.02 1dug n ASP 35 Ca 0.25 -2.94 -0.04 0.00 2.57 0.00 0.00 54.79 54.63 1dug n ASP 35 Cb 0.73 -0.63 0.27 0.00 1.84 0.00 0.00 41.12 43.34 1dug n ASP 35 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1dug n GLU 36 N 0.21 3.15 0.28 -1.24 1.02 -0.37 -4.51 120.64 119.17 1dug n GLU 36 Ca 0.25 -3.06 0.13 0.00 -0.02 0.00 0.00 57.16 54.46 1dug n GLU 36 Cb 1.07 -2.07 0.80 0.00 -0.02 0.00 0.00 31.44 31.22 1dug n GLU 36 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1dug h GLY 37 N 2.10 0.00 1.28 0.62 0.00 -1.79 -1.16 103.07 104.12 1dug h GLY 37 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.33 1dug h GLY 37 CO 0.60 0.00 -0.84 -1.80 0.00 0.00 0.00 176.54 174.50 1dug h ASP 38 N 0.00 0.84 -0.74 0.19 1.82 -1.97 -2.49 116.42 114.07 1dug h ASP 38 Ca -0.00 -0.59 -0.02 0.00 -0.39 0.00 0.00 57.03 56.03 1dug h ASP 38 Cb 0.13 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 1dug h ASP 38 CO 0.01 1.38 0.38 0.11 -1.61 0.00 0.00 179.24 179.51 1dug h LYS 39 N 0.45 1.05 0.51 0.28 1.57 -1.57 -2.50 116.57 116.36 1dug h LYS 39 Ca -0.07 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1dug h LYS 39 Cb 1.47 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1dug h LYS 39 CO 0.17 0.80 -0.27 2.35 -0.57 0.00 0.00 179.45 181.93 1dug h TRP 40 N 1.03 -0.69 -0.56 -1.35 -0.00 -1.31 -2.94 115.95 110.13 1dug h TRP 40 Ca 0.26 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.28 1dug h TRP 40 Cb 0.08 0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1dug h TRP 40 CO 0.00 -0.42 0.39 0.00 -0.00 0.00 0.00 178.44 178.42 1dug h ARG 41 N -0.71 0.12 0.00 2.65 3.08 -1.30 0.21 114.38 118.43 1dug h ARG 41 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1dug h ARG 41 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1dug h ARG 41 CO 0.10 0.08 0.00 0.09 -1.07 0.00 0.00 179.97 179.17 1dug n ASN 42 N -4.41 0.70 -0.00 7.04 5.03 -0.96 -3.59 115.26 119.06 1dug n ASN 42 Ca 0.10 0.59 0.00 0.00 0.87 0.00 0.00 54.58 56.15 1dug n ASN 42 Cb 0.55 -0.77 -0.01 0.00 -1.02 0.00 0.00 39.78 38.53 1dug n ASN 42 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1dug n LYS 43 N -2.18 5.17 -0.33 3.52 3.00 -0.25 -4.74 118.16 122.36 1dug n LYS 43 Ca 0.05 -0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.53 1dug n LYS 43 Cb 0.37 -0.65 0.38 0.00 0.00 0.00 0.00 35.03 35.13 1dug n LYS 43 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1dug h LYS 44 N 0.00 0.40 -0.61 1.64 3.64 -0.72 -0.85 116.57 120.08 1dug h LYS 44 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1dug h LYS 44 Cb 0.03 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1dug h LYS 44 CO 0.00 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 1dug n PHE 45 N -5.01 0.97 -1.23 1.91 3.72 -1.26 -4.37 117.46 112.18 1dug n PHE 45 Ca 0.27 -0.54 0.09 0.00 -0.05 0.00 0.00 57.45 57.21 1dug n PHE 45 Cb 0.79 -0.07 0.16 0.00 -0.94 0.00 0.00 39.48 39.41 1dug n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1dug n GLU 46 N 1.18 1.36 0.00 -1.08 -0.58 -0.33 -4.62 120.64 116.57 1dug n GLU 46 Ca 0.22 -2.79 0.06 0.00 -0.42 0.00 0.00 57.16 54.23 1dug n GLU 46 Cb 0.65 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 30.03 1dug n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1dug n LEU 47 N -1.33 1.78 0.00 -4.62 4.77 -1.21 -4.99 117.00 111.40 1dug n LEU 47 Ca 0.17 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1dug n LEU 47 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1dug n LEU 47 CO -0.00 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1dug n GLY 48 N 0.73 0.44 3.72 -0.72 0.00 -1.26 -5.03 105.19 103.09 1dug n GLY 48 Ca 0.06 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1dug n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dug s LEU 49 N 0.00 4.47 0.30 0.99 1.43 -1.26 -4.95 118.68 119.65 1dug s LEU 49 Ca 0.00 1.75 0.15 0.00 -1.03 0.00 0.00 54.13 55.00 1dug s LEU 49 Cb 0.00 -3.57 0.33 0.00 0.03 0.00 0.00 46.19 42.97 1dug s LEU 49 CO 0.00 -0.11 1.57 -0.33 0.23 0.00 0.00 176.35 177.71 1dug h GLU 50 N 5.86 0.00 -2.10 1.70 5.08 -1.96 -3.35 114.58 119.82 1dug h GLU 50 Ca -0.42 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 1dug h GLU 50 Cb 1.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1dug h GLU 50 CO 0.72 0.54 -0.94 1.19 -1.00 0.00 0.00 179.01 179.52 1dug n PHE 51 N -3.45 0.84 -1.57 4.33 3.72 -1.26 -5.11 117.46 114.96 1dug n PHE 51 Ca 0.00 -3.74 -0.58 0.00 -0.05 0.00 0.00 57.45 53.09 1dug n PHE 51 Cb 0.65 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1dug n PHE 51 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1dug n PRO 52 N 1.33 0.47 -3.75 -1.08 -0.02 -1.26 -4.73 135.00 125.97 1dug n PRO 52 Ca 0.24 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1dug n PRO 52 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1dug n PRO 52 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1dug s ASN 53 N 0.78 -0.00 -0.07 2.55 3.04 -1.26 -5.09 114.94 114.88 1dug s ASN 53 Ca 0.91 -0.02 0.05 0.00 0.04 0.00 0.00 52.86 53.84 1dug s ASN 53 Cb -1.18 0.02 -0.00 0.00 -1.54 0.00 0.00 41.25 38.55 1dug s ASN 53 CO 0.57 -0.04 -0.22 -0.76 -3.04 0.00 0.00 177.10 173.62 1dug s LEU 54 N -3.38 2.00 0.74 3.21 1.43 -1.26 -4.07 118.68 117.35 1dug s LEU 54 Ca 0.22 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1dug s LEU 54 Cb 0.05 -1.25 0.04 0.00 0.03 0.00 0.00 46.19 45.06 1dug s LEU 54 CO -0.05 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.64 1dug s PRO 55 N 0.15 2.53 0.08 1.29 0.04 -1.26 -4.89 135.00 132.94 1dug s PRO 55 Ca -0.10 0.54 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1dug s PRO 55 Cb -0.15 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1dug s PRO 55 CO 0.05 -1.28 -0.10 1.52 0.04 0.00 0.00 177.00 177.23 1dug s TYR 56 N -3.27 0.96 -0.06 0.56 -0.85 -0.68 -3.74 117.35 110.26 1dug s TYR 56 Ca 0.59 -0.61 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1dug s TYR 56 Cb -0.12 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.70 1dug s TYR 56 CO 0.53 -0.03 -0.00 -0.47 -1.52 0.00 0.00 175.55 174.06 1dug s TYR 57 N -2.10 0.56 -0.12 -3.49 6.14 0.54 -0.94 117.35 117.94 1dug s TYR 57 Ca 0.01 -0.11 0.01 0.00 0.64 0.00 0.00 57.07 57.62 1dug s TYR 57 Cb -0.05 -0.69 0.02 0.00 0.42 0.00 0.00 41.96 41.66 1dug s TYR 57 CO -0.00 -0.26 -0.14 0.42 0.64 0.00 0.00 175.55 176.21 1dug s ILE 58 N 1.67 1.50 0.00 3.14 1.01 -0.16 -0.60 121.20 127.75 1dug s ILE 58 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1dug s ILE 58 Cb -0.13 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1dug s ILE 58 CO -0.04 0.44 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 1dug n ASP 59 N 4.48 0.18 -4.59 3.58 5.68 -0.41 0.08 116.55 125.55 1dug n ASP 59 Ca -0.18 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.70 1dug n ASP 59 Cb 0.51 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1dug n ASP 59 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1dug s GLY 60 N 0.00 0.46 -1.25 6.12 0.00 -1.26 -3.11 107.32 108.28 1dug s GLY 60 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 1dug s GLY 60 CO 0.00 3.58 0.79 1.34 0.00 0.00 0.00 173.10 178.81 1dug n ASP 61 N 11.83 -2.11 -3.36 1.64 -0.08 -1.26 -5.00 116.55 118.21 1dug n ASP 61 Ca 0.27 -0.78 0.02 0.00 -1.51 0.00 0.00 54.79 52.78 1dug n ASP 61 Cb 0.48 -4.33 -0.03 0.00 2.34 0.00 0.00 41.12 39.58 1dug n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1dug s VAL 62 N -3.57 -0.76 -0.22 5.18 1.01 -1.18 -5.14 120.40 115.72 1dug s VAL 62 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1dug s VAL 62 Cb -0.02 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.42 1dug s VAL 62 CO 0.79 0.00 -0.08 -0.54 0.00 0.00 0.00 175.10 175.28 1dug s LYS 63 N 2.77 1.81 0.10 2.72 1.02 -1.26 -1.29 119.74 125.62 1dug s LYS 63 Ca 0.03 -0.97 0.07 0.00 0.02 0.00 0.00 55.97 55.12 1dug s LYS 63 Cb -0.11 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1dug s LYS 63 CO -0.18 -0.54 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.01 1dug s LEU 64 N 1.37 2.30 0.33 3.17 1.43 0.23 -4.74 118.68 122.76 1dug s LEU 64 Ca -0.05 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1dug s LEU 64 Cb -0.18 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 1dug s LEU 64 CO -0.07 0.02 0.10 0.42 0.23 0.00 0.00 176.35 177.06 1dug s THR 65 N -1.22 0.72 0.00 5.49 -4.23 -1.26 -0.34 115.64 114.80 1dug s THR 65 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1dug s THR 65 Cb -0.10 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1dug s THR 65 CO 0.04 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.12 1dug n GLN 66 N -0.67 0.00 -0.26 3.99 1.13 -1.25 -4.54 117.38 115.78 1dug n GLN 66 Ca -0.02 0.38 0.07 0.00 -1.94 0.00 0.00 57.00 55.49 1dug n GLN 66 Cb 0.66 -0.53 0.19 0.00 0.11 0.00 0.00 30.24 30.68 1dug n GLN 66 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1dug h SER 67 N 0.00 -0.03 -0.16 1.08 4.64 -1.90 -0.81 113.55 116.36 1dug h SER 67 Ca 0.00 0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1dug h SER 67 Cb 0.00 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1dug h SER 67 CO 0.00 -0.07 -0.23 0.24 -0.87 0.00 0.00 176.83 175.90 1dug h MET 68 N 0.24 0.61 -0.45 4.77 2.86 -1.92 -1.42 114.93 119.62 1dug h MET 68 Ca 0.44 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1dug h MET 68 Cb 0.77 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1dug h MET 68 CO -0.55 0.80 -0.03 0.00 1.06 0.00 0.00 176.91 178.18 1dug h ALA 69 N 1.21 1.10 -0.02 6.32 0.00 -1.45 -1.74 119.26 124.67 1dug h ALA 69 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1dug h ALA 69 Cb 0.69 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dug h ALA 69 CO 0.05 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.67 1dug h ILE 70 N 0.70 1.35 -0.35 0.00 2.04 -0.96 -0.87 117.51 119.42 1dug h ILE 70 Ca 0.13 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1dug h ILE 70 Cb 0.48 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1dug h ILE 70 CO 0.02 0.28 -0.14 -0.29 0.00 0.00 0.00 178.15 178.03 1dug h ILE 71 N -0.38 1.25 -0.11 -0.67 2.10 -1.27 -1.61 117.51 116.82 1dug h ILE 71 Ca 0.00 -1.12 -0.13 0.00 1.08 0.00 0.00 64.86 64.70 1dug h ILE 71 Cb 0.47 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 1dug h ILE 71 CO 0.00 0.37 -0.49 0.03 -1.08 0.00 0.00 178.15 176.99 1dug h ARG 72 N 0.56 0.29 -0.29 2.19 3.08 -1.32 -1.99 114.38 116.90 1dug h ARG 72 Ca 0.10 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1dug h ARG 72 Cb 0.56 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1dug h ARG 72 CO 0.04 0.72 0.01 -0.92 -1.07 0.00 0.00 179.97 178.74 1dug h TYR 73 N 0.23 0.56 -0.46 3.04 3.20 -0.62 0.19 116.97 123.11 1dug h TYR 73 Ca 0.01 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1dug h TYR 73 Cb 0.95 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1dug h TYR 73 CO 0.02 0.65 0.23 0.82 -1.64 0.00 0.00 178.16 178.24 1dug h ILE 74 N 0.31 1.18 -0.64 1.81 2.04 -1.21 -1.17 117.51 119.83 1dug h ILE 74 Ca 0.08 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1dug h ILE 74 Cb 0.42 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1dug h ILE 74 CO 0.01 0.19 0.17 0.00 0.00 0.00 0.00 178.15 178.53 1dug h ALA 75 N 1.08 0.84 -0.54 1.87 0.00 -1.22 -2.92 119.26 118.37 1dug h ALA 75 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dug h ALA 75 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dug h ALA 75 CO -0.02 0.54 0.24 0.22 0.00 0.00 0.00 179.25 180.24 1dug h ASP 76 N 0.94 0.69 0.76 0.00 3.58 -0.26 -0.39 116.42 121.75 1dug h ASP 76 Ca 0.20 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1dug h ASP 76 Cb 0.34 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1dug h ASP 76 CO -0.00 0.60 0.00 0.11 -2.88 0.00 0.00 179.24 177.07 1dug h LYS 77 N 0.77 0.00 -0.30 0.28 1.57 -1.02 -2.14 116.57 115.72 1dug h LYS 77 Ca 0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1dug h LYS 77 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1dug h LYS 77 CO -0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.58 1dug n HIS 78 N -2.66 1.04 -3.94 -1.35 8.25 -0.38 -4.97 115.22 111.20 1dug n HIS 78 Ca 0.01 -1.04 -0.31 0.00 -0.26 0.00 0.00 57.72 56.12 1dug n HIS 78 Cb 0.24 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 31.00 1dug n HIS 78 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1dug n ASN 79 N -0.64 -4.71 -0.66 0.41 5.15 -0.81 -4.91 115.26 109.10 1dug n ASN 79 Ca 0.25 -0.79 0.09 0.00 -0.60 0.00 0.00 54.58 53.52 1dug n ASN 79 Cb 0.94 -3.76 0.06 0.00 -0.53 0.00 0.00 39.78 36.49 1dug n ASN 79 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1dug n MET 80 N -4.65 1.47 0.20 1.20 2.81 -0.30 -4.56 117.12 113.28 1dug n MET 80 Ca 0.05 -1.45 0.07 0.00 -1.81 0.00 0.00 57.70 54.56 1dug n MET 80 Cb 0.52 -1.33 0.33 0.00 -0.71 0.00 0.00 33.22 32.03 1dug n MET 80 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dug h LEU 81 N 3.23 0.00 0.00 4.03 4.07 -1.89 -3.44 115.31 121.31 1dug h LEU 81 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dug h LEU 81 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1dug h LEU 81 CO 0.00 0.32 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 1dug n GLY 82 N 0.38 4.77 0.17 0.83 0.00 -1.26 -4.13 105.19 105.94 1dug n GLY 82 Ca 0.00 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.15 1dug n GLY 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dug h GLY 83 N 0.00 0.00 -2.31 -0.02 0.00 -1.91 -3.44 103.07 95.39 1dug h GLY 83 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1dug h GLY 83 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1dug h PRO 85 N 2.28 0.48 -0.28 0.00 0.11 -1.99 -0.71 132.00 131.89 1dug h PRO 85 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1dug h PRO 85 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1dug h PRO 85 CO 0.37 0.32 0.17 -0.22 -0.21 0.00 0.00 178.00 178.42 1dug h LYS 86 N 0.50 0.38 -0.33 1.05 3.64 -1.98 -0.50 116.57 119.33 1dug h LYS 86 Ca 0.45 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.67 1dug h LYS 86 Cb 0.69 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1dug h LYS 86 CO -0.41 0.30 -0.30 1.49 -2.27 0.00 0.00 179.45 178.27 1dug h GLU 87 N 0.35 0.69 -0.22 1.90 4.81 -1.84 -0.33 114.58 119.94 1dug h GLU 87 Ca 0.10 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1dug h GLU 87 Cb 0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1dug h GLU 87 CO -0.02 0.90 -0.21 0.00 -0.73 0.00 0.00 179.01 178.95 1dug h ARG 88 N 0.59 0.39 -0.20 1.92 3.08 -0.96 -1.40 114.38 117.80 1dug h ARG 88 Ca 0.07 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1dug h ARG 88 Cb 0.80 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1dug h ARG 88 CO 0.07 0.59 -0.59 0.00 -1.07 0.00 0.00 179.97 178.97 1dug h ALA 89 N 1.43 0.59 -0.59 0.04 0.00 -0.71 -1.39 119.26 118.63 1dug h ALA 89 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1dug h ALA 89 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dug h ALA 89 CO 0.04 0.69 0.29 1.49 0.00 0.00 0.00 179.25 181.76 1dug h GLU 90 N 0.49 0.85 -0.57 0.00 4.57 -0.65 -0.00 114.58 119.27 1dug h GLU 90 Ca 0.00 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 1dug h GLU 90 Cb 1.16 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1dug h GLU 90 CO 0.12 0.68 -0.07 0.82 -1.18 0.00 0.00 179.01 179.37 1dug h ILE 91 N 0.81 1.27 -0.01 2.32 2.04 -1.12 -1.77 117.51 121.05 1dug h ILE 91 Ca 0.20 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 1dug h ILE 91 Cb 0.11 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1dug h ILE 91 CO -0.03 0.44 -0.50 0.28 0.00 0.00 0.00 178.15 178.34 1dug h SER 92 N 0.94 0.03 -0.16 1.72 0.02 -1.00 -1.14 113.55 113.96 1dug h SER 92 Ca 0.15 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1dug h SER 92 Cb 0.64 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1dug h SER 92 CO 0.04 0.53 -0.10 -0.03 -1.14 0.00 0.00 176.83 176.13 1dug h MET 93 N 0.02 0.36 -0.64 3.45 1.85 -0.74 -0.70 114.93 118.52 1dug h MET 93 Ca -0.00 -0.17 0.04 0.00 -0.61 0.00 0.00 59.70 58.96 1dug h MET 93 Cb 0.90 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.88 1dug h MET 93 CO 0.07 0.69 0.38 -0.07 -0.40 0.00 0.00 176.91 177.58 1dug h LEU 94 N 0.02 0.60 -0.02 3.39 3.38 -1.19 -0.86 115.31 120.64 1dug h LEU 94 Ca 0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1dug h LEU 94 Cb 0.59 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1dug h LEU 94 CO 0.03 0.41 -0.21 -0.08 0.09 0.00 0.00 178.44 178.68 1dug h GLU 95 N 0.74 -0.32 -0.61 1.13 4.81 -1.03 -1.43 114.58 117.87 1dug h GLU 95 Ca 0.27 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1dug h GLU 95 Cb 0.07 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1dug h GLU 95 CO -0.13 -0.21 0.23 0.78 -0.73 0.00 0.00 179.01 178.95 1dug h GLY 96 N -0.33 0.96 1.44 1.92 0.00 -0.71 -1.82 103.07 104.53 1dug h GLY 96 Ca 0.07 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1dug h GLY 96 CO -0.21 0.47 -0.10 0.00 0.00 0.00 0.00 176.54 176.70 1dug h ALA 97 N 1.38 1.10 -0.33 3.60 0.00 -0.74 -1.75 119.26 122.52 1dug h ALA 97 Ca 0.21 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1dug h ALA 97 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dug h ALA 97 CO -0.02 0.56 -0.41 0.28 0.00 0.00 0.00 179.25 179.66 1dug h VAL 98 N 0.61 1.28 -0.71 0.00 2.07 -0.91 -3.00 116.25 115.59 1dug h VAL 98 Ca 0.11 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 1dug h VAL 98 Cb 0.54 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1dug h VAL 98 CO 0.03 0.52 0.43 -0.07 0.02 0.00 0.00 177.57 178.50 1dug h LEU 99 N 0.65 0.84 -1.27 2.57 3.38 -0.87 -0.28 115.31 120.33 1dug h LEU 99 Ca 0.05 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1dug h LEU 99 Cb 0.97 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1dug h LEU 99 CO 0.09 0.65 0.52 0.44 0.09 0.00 0.00 178.44 180.22 1dug h ASP 100 N 0.98 0.80 0.03 -0.43 3.32 -1.19 0.39 116.42 120.32 1dug h ASP 100 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1dug h ASP 100 Cb -0.05 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1dug h ASP 100 CO -0.05 0.54 -0.01 0.40 -1.72 0.00 0.00 179.24 178.40 1dug h ILE 101 N 0.93 1.43 -0.23 0.35 2.04 -1.28 -2.09 117.51 118.66 1dug h ILE 101 Ca 0.32 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1dug h ILE 101 Cb 0.10 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1dug h ILE 101 CO -0.10 0.41 0.12 -0.09 0.00 0.00 0.00 178.15 178.49 1dug h ARG 102 N -0.79 0.33 0.00 2.37 9.65 -0.79 -2.14 114.38 123.00 1dug h ARG 102 Ca -0.00 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.77 1dug h ARG 102 Cb 0.70 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1dug h ARG 102 CO 0.01 0.31 -0.31 1.88 2.80 0.00 0.00 179.97 184.66 1dug h TYR 103 N 0.26 0.00 -0.72 2.20 0.05 -0.36 -2.33 116.97 116.06 1dug h TYR 103 Ca 0.08 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1dug h TYR 103 Cb 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 1dug h TYR 103 CO -0.03 0.31 0.48 0.78 -1.05 0.00 0.00 178.16 178.64 1dug h GLY 104 N 1.42 0.98 0.41 3.88 0.00 -0.72 0.14 103.07 109.19 1dug h GLY 104 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1dug h GLY 104 CO 0.04 0.27 -0.00 -2.08 0.00 0.00 0.00 176.54 174.77 1dug h VAL 105 N 0.83 1.48 0.00 4.60 2.07 -1.09 -3.26 116.25 120.88 1dug h VAL 105 Ca 0.30 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1dug h VAL 105 Cb 0.14 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1dug h VAL 105 CO -0.09 0.37 -0.08 0.28 0.02 0.00 0.00 177.57 178.07 1dug h SER 106 N -0.59 0.00 -0.09 0.57 0.02 -1.20 -1.21 113.55 111.04 1dug h SER 106 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dug h SER 106 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1dug h SER 106 CO 0.00 0.08 0.05 -0.09 -1.14 0.00 0.00 176.83 175.73 1dug h ARG 107 N 0.00 0.15 0.00 3.45 2.43 -0.76 -3.16 114.38 116.48 1dug h ARG 107 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dug h ARG 107 Cb 0.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1dug h ARG 107 CO 0.01 0.12 0.00 0.44 -1.51 0.00 0.00 179.97 179.03 1dug n ILE 108 N -4.50 0.23 0.30 1.20 -5.35 -0.99 -4.71 119.36 105.54 1dug n ILE 108 Ca -0.01 -0.52 0.17 0.00 -0.27 0.00 0.00 62.75 62.11 1dug n ILE 108 Cb 0.10 1.02 0.71 0.00 -1.74 0.00 0.00 39.64 39.73 1dug n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dug h ALA 109 N 0.00 1.00 -0.02 -1.28 0.00 -1.19 -2.91 119.26 114.86 1dug h ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dug h ALA 109 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1dug h ALA 109 CO 0.00 0.00 -0.17 0.66 0.00 0.00 0.00 179.25 179.74 1dug n TYR 110 N -2.97 0.00 -2.57 0.00 4.02 -1.26 0.35 117.16 114.72 1dug n TYR 110 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.50 1dug n TYR 110 Cb 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1dug n TYR 110 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dug s SER 111 N -1.81 7.33 0.49 7.72 0.15 -1.10 -4.56 113.70 121.92 1dug s SER 111 Ca 0.19 2.14 0.15 0.00 0.70 0.00 0.00 55.95 59.13 1dug s SER 111 Cb 0.15 -2.62 1.16 0.00 -1.71 0.00 0.00 66.02 63.00 1dug s SER 111 CO 0.34 -0.09 2.10 0.50 1.20 0.00 0.00 173.24 177.28 1dug h LYS 112 N 3.75 0.05 -2.07 5.44 3.64 -1.94 -2.73 116.57 122.71 1dug h LYS 112 Ca -0.46 -0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.15 1dug h LYS 112 Cb 1.21 -0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.73 1dug h LYS 112 CO 0.67 0.08 0.83 -0.25 -2.27 0.00 0.00 179.45 178.51 1dug n ASP 113 N -4.47 7.11 -0.08 4.20 8.00 -1.26 -4.72 116.55 125.33 1dug n ASP 113 Ca -0.02 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.58 1dug n ASP 113 Cb 0.13 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 40.15 1dug n ASP 113 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1dug h PHE 114 N 3.39 0.55 -0.77 1.24 3.57 -1.73 -2.56 116.94 120.62 1dug h PHE 114 Ca 0.52 -0.13 0.22 0.00 3.53 0.00 0.00 57.97 62.10 1dug h PHE 114 Cb 0.22 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1dug h PHE 114 CO 1.19 0.75 0.55 0.93 -2.23 0.00 0.00 178.31 179.50 1dug h GLU 115 N 0.19 0.01 0.02 1.11 4.39 -1.88 0.32 114.58 118.73 1dug h GLU 115 Ca 0.05 -0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.42 1dug h GLU 115 Cb 0.60 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1dug h GLU 115 CO 0.03 0.00 -1.98 0.25 -1.16 0.00 0.00 179.01 176.16 1dug n THR 116 N -4.31 1.58 0.18 1.13 -2.24 -1.20 -4.14 114.28 105.28 1dug n THR 116 Ca 0.15 -0.77 0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1dug n THR 116 Cb 0.84 -1.05 0.31 0.00 -2.10 0.00 0.00 70.33 68.33 1dug n THR 116 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1dug h LEU 117 N 0.01 0.00 -0.46 3.22 3.38 -0.88 -3.21 115.31 117.37 1dug h LEU 117 Ca -0.39 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 1dug h LEU 117 Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 1dug h LEU 117 CO 0.06 0.41 -0.47 0.07 0.09 0.00 0.00 178.44 178.59 1dug h LYS 118 N 0.00 0.75 -0.94 1.13 2.10 -1.13 -2.87 116.57 115.61 1dug h LYS 118 Ca -0.00 -0.43 0.24 0.00 -2.00 0.00 0.00 60.65 58.45 1dug h LYS 118 Cb 0.93 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.22 1dug h LYS 118 CO 0.05 1.06 0.64 0.28 -2.00 0.00 0.00 179.45 179.48 1dug h VAL 119 N 0.60 0.60 0.14 0.07 2.07 -1.71 0.48 116.25 118.50 1dug h VAL 119 Ca 0.03 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 1dug h VAL 119 Cb 1.03 0.30 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1dug h VAL 119 CO 0.10 0.05 -0.86 -0.78 0.02 0.00 0.00 177.57 176.11 1dug h ASP 120 N 0.28 0.45 -0.62 0.57 1.82 -1.69 -3.03 116.42 114.20 1dug h ASP 120 Ca 0.49 -0.94 0.05 0.00 -0.39 0.00 0.00 57.03 56.24 1dug h ASP 120 Cb 1.43 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 41.24 1dug h ASP 120 CO -0.15 1.41 0.33 0.15 -1.61 0.00 0.00 179.24 179.37 1dug h PHE 121 N -0.38 0.61 0.00 0.28 3.57 -0.83 -0.77 116.94 119.41 1dug h PHE 121 Ca -0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1dug h PHE 121 Cb 1.64 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1dug h PHE 121 CO 0.19 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.85 1dug n LEU 122 N -4.82 0.63 0.05 0.59 4.77 0.15 -1.27 117.00 117.11 1dug n LEU 122 Ca 0.07 0.66 -0.02 0.00 -0.03 0.00 0.00 56.01 56.69 1dug n LEU 122 Cb 0.16 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1dug n LEU 122 CO 0.29 -0.54 -0.10 0.77 -1.33 0.00 0.00 177.39 176.47 1dug h SER 123 N 0.00 0.00 0.57 -1.43 4.64 -1.02 -3.32 113.55 112.98 1dug h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dug h SER 123 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1dug h SER 123 CO 0.00 0.69 -1.14 0.29 -0.87 0.00 0.00 176.83 175.80 1dug n LYS 124 N -3.05 0.44 -0.21 4.77 4.76 -0.93 -4.38 118.16 119.57 1dug n LYS 124 Ca -0.07 0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.32 1dug n LYS 124 Cb 0.87 -1.66 0.04 0.00 -1.84 0.00 0.00 35.03 32.43 1dug n LYS 124 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1dug h LEU 125 N 0.00 0.69 -0.75 -0.35 5.85 -1.28 -3.00 115.31 116.47 1dug h LEU 125 Ca 0.00 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.82 1dug h LEU 125 Cb 0.86 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1dug h LEU 125 CO 0.00 0.50 0.36 -0.65 -0.34 0.00 0.00 178.44 178.31 1dug h PRO 126 N 0.81 0.55 -0.91 5.25 0.11 -1.76 0.12 132.00 136.17 1dug h PRO 126 Ca 0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1dug h PRO 126 Cb -0.09 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 30.85 1dug h PRO 126 CO -0.05 0.37 0.58 1.49 -0.21 0.00 0.00 178.00 180.17 1dug h GLU 127 N 0.57 1.22 -0.17 1.05 4.81 -1.80 0.11 114.58 120.38 1dug h GLU 127 Ca 0.39 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1dug h GLU 127 Cb 0.49 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1dug h GLU 127 CO -0.32 0.83 -0.46 0.52 -0.73 0.00 0.00 179.01 178.85 1dug h MET 128 N 1.25 0.61 -0.25 1.92 2.86 -1.01 -3.21 114.93 117.10 1dug h MET 128 Ca 0.33 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1dug h MET 128 Cb -0.10 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1dug h MET 128 CO -0.07 1.05 -0.26 -0.07 1.06 0.00 0.00 176.91 178.62 1dug h LEU 129 N 0.27 0.49 -1.58 1.22 3.38 -0.54 -3.01 115.31 115.54 1dug h LEU 129 Ca -0.01 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1dug h LEU 129 Cb 1.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1dug h LEU 129 CO 0.10 0.74 0.36 0.50 0.09 0.00 0.00 178.44 180.23 1dug h LYS 130 N 0.42 0.51 -0.11 1.13 3.64 -0.78 -0.38 116.57 121.00 1dug h LYS 130 Ca 0.06 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1dug h LYS 130 Cb 0.68 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1dug h LYS 130 CO 0.05 0.33 -0.38 0.52 -2.27 0.00 0.00 179.45 177.71 1dug h MET 131 N 0.52 0.23 0.02 1.90 2.86 -1.56 -0.24 114.93 118.67 1dug h MET 131 Ca 0.23 -0.10 -0.22 0.00 -2.06 0.00 0.00 59.70 57.54 1dug h MET 131 Cb 0.25 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1dug h MET 131 CO -0.06 0.58 -0.97 0.74 1.06 0.00 0.00 176.91 178.26 1dug h PHE 132 N 0.20 0.46 -0.71 -0.22 0.04 -1.34 -1.76 116.94 113.62 1dug h PHE 132 Ca 0.02 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 1dug h PHE 132 Cb 0.77 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 1dug h PHE 132 CO 0.01 1.10 0.31 1.49 -0.60 0.00 0.00 178.31 180.63 1dug h GLU 133 N 0.16 1.04 -0.22 1.51 4.57 -0.72 -1.12 114.58 119.80 1dug h GLU 133 Ca -0.07 -0.17 -0.18 0.00 -1.18 0.00 0.00 59.36 57.76 1dug h GLU 133 Cb 1.62 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1dug h GLU 133 CO 0.16 0.84 -0.58 -0.44 -1.18 0.00 0.00 179.01 177.81 1dug h ASP 134 N 1.00 0.78 -0.61 1.04 3.32 -1.04 -3.05 116.42 117.86 1dug h ASP 134 Ca 0.24 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1dug h ASP 134 Cb 0.17 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1dug h ASP 134 CO -0.02 1.19 0.41 -0.09 -1.72 0.00 0.00 179.24 179.00 1dug h ARG 135 N 0.52 0.73 -0.02 3.56 9.65 -0.88 -2.02 114.38 125.93 1dug h ARG 135 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1dug h ARG 135 Cb 1.16 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1dug h ARG 135 CO 0.12 0.48 0.00 1.28 2.80 0.00 0.00 179.97 184.65 1dug n LEU 136 N -4.46 0.29 -4.60 3.80 4.77 -0.46 -4.56 117.00 111.77 1dug n LEU 136 Ca 0.07 -0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 1dug n LEU 136 Cb 0.11 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1dug n LEU 136 CO 0.35 0.06 1.33 0.00 -1.33 0.00 0.00 177.39 177.79 1dug n HIS 138 N 9.16 0.00 -4.54 0.00 8.25 -1.26 -5.03 115.22 121.80 1dug n HIS 138 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 1dug n HIS 138 Cb 0.47 -0.57 -0.16 0.00 1.12 0.00 0.00 29.99 30.85 1dug n HIS 138 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dug s LYS 139 N -1.50 1.40 0.01 -0.41 1.02 -0.92 -5.02 119.74 114.33 1dug s LYS 139 Ca 0.00 -0.39 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 1dug s LYS 139 Cb 0.00 -1.22 -0.23 0.00 -0.52 0.00 0.00 37.83 35.86 1dug s LYS 139 CO 0.00 0.09 1.11 1.15 -0.92 0.00 0.00 175.35 176.78 1dug h THR 140 N 5.66 1.41 -2.49 2.17 2.02 -1.83 -3.44 112.91 116.40 1dug h THR 140 Ca -0.33 -2.07 -0.52 0.00 0.77 0.00 0.00 66.41 64.26 1dug h THR 140 Cb 1.18 2.55 -0.14 0.00 -1.74 0.00 0.00 68.15 70.00 1dug h THR 140 CO 0.48 0.61 -0.59 -0.31 0.37 0.00 0.00 175.52 176.08 1dug s TYR 141 N -3.25 2.01 0.14 3.16 2.02 -0.15 -4.92 117.35 116.36 1dug s TYR 141 Ca -0.13 -0.97 -0.31 0.00 -0.37 0.00 0.00 57.07 55.29 1dug s TYR 141 Cb 0.04 -1.35 -0.08 0.00 -0.40 0.00 0.00 41.96 40.17 1dug s TYR 141 CO 0.83 0.03 1.36 -0.51 -1.57 0.00 0.00 175.55 175.69 1dug s LEU 142 N -3.56 4.38 0.00 -1.29 1.43 -1.26 -1.86 118.68 116.53 1dug s LEU 142 Ca 0.32 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1dug s LEU 142 Cb 0.08 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1dug s LEU 142 CO 0.15 -0.61 0.00 -3.20 0.23 0.00 0.00 176.35 172.92 1dug n ASN 143 N 3.53 -2.25 0.00 2.29 2.85 -1.26 -4.57 115.26 115.85 1dug n ASN 143 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1dug n ASN 143 Cb 0.43 -0.37 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1dug n ASN 143 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dug n GLY 144 N -2.75 0.93 0.07 8.20 0.00 -0.78 -4.46 105.19 106.40 1dug n GLY 144 Ca 0.00 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.54 1dug n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dug n ASP 145 N 0.00 0.29 -4.44 1.61 8.00 -1.26 -0.98 116.55 119.77 1dug n ASP 145 Ca 0.00 -0.38 -0.30 0.00 0.71 0.00 0.00 54.79 54.82 1dug n ASP 145 Cb 0.00 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 1dug n ASP 145 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1dug s HIS 146 N -2.54 2.49 0.26 1.24 -3.43 -1.26 -4.93 115.29 107.10 1dug s HIS 146 Ca 0.28 -0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 53.96 1dug s HIS 146 Cb 0.20 -1.40 -0.09 0.00 -1.43 0.00 0.00 32.58 29.86 1dug s HIS 146 CO 0.48 0.28 0.93 0.08 -2.00 0.00 0.00 174.74 174.50 1dug s VAL 147 N -0.98 4.13 0.19 -5.38 1.01 -1.26 -4.74 120.40 113.37 1dug s VAL 147 Ca 0.15 1.98 0.03 0.00 0.00 0.00 0.00 61.98 64.14 1dug s VAL 147 Cb -0.10 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1dug s VAL 147 CO 0.06 0.41 -0.02 0.42 0.00 0.00 0.00 175.10 175.97 1dug s THR 148 N -1.29 0.90 0.46 3.92 -4.23 -1.26 -5.04 115.64 109.09 1dug s THR 148 Ca 0.43 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1dug s THR 148 Cb -0.24 -2.15 0.30 0.00 1.34 0.00 0.00 72.50 71.76 1dug s THR 148 CO 0.29 -0.47 2.04 1.12 -0.54 0.00 0.00 174.62 177.06 1dug h HIS 149 N 2.63 0.32 0.00 3.99 2.07 -1.95 -1.29 115.15 120.91 1dug h HIS 149 Ca -0.37 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1dug h HIS 149 Cb 1.21 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 31.08 1dug h HIS 149 CO 0.57 0.17 -0.00 -1.35 -3.07 0.00 0.00 177.93 174.25 1dug h PRO 150 N 0.32 0.00 -0.70 5.12 0.11 -1.96 -1.11 132.00 133.78 1dug h PRO 150 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1dug h PRO 150 Cb 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1dug h PRO 150 CO -0.04 0.00 0.24 -0.44 -0.21 0.00 0.00 178.00 177.55 1dug h ASP 151 N 0.00 1.00 0.69 -2.05 3.32 -1.57 0.72 116.42 118.53 1dug h ASP 151 Ca -0.00 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 1dug h ASP 151 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1dug h ASP 151 CO 0.00 0.93 -0.61 -0.26 -1.72 0.00 0.00 179.24 177.58 1dug h PHE 152 N 1.01 0.00 -0.24 4.55 0.04 -1.35 -0.39 116.94 120.57 1dug h PHE 152 Ca 0.23 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 1dug h PHE 152 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1dug h PHE 152 CO 0.02 0.61 -0.14 0.52 -0.60 0.00 0.00 178.31 178.72 1dug h MET 153 N 0.00 0.52 -0.66 1.51 2.86 -1.00 -1.80 114.93 116.36 1dug h MET 153 Ca -0.01 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1dug h MET 153 Cb 1.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1dug h MET 153 CO 0.08 0.80 0.17 1.25 1.06 0.00 0.00 176.91 180.27 1dug h LEU 154 N 0.23 0.99 -0.20 1.22 5.85 -0.72 -1.00 115.31 121.69 1dug h LEU 154 Ca 0.05 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1dug h LEU 154 Cb 0.65 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1dug h LEU 154 CO 0.04 0.96 -0.04 0.22 -0.34 0.00 0.00 178.44 179.28 1dug h TYR 155 N 0.98 -0.08 -0.35 1.25 3.20 -0.97 0.13 116.97 121.12 1dug h TYR 155 Ca 0.21 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1dug h TYR 155 Cb 0.35 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1dug h TYR 155 CO 0.03 -0.07 0.06 0.22 -1.64 0.00 0.00 178.16 176.76 1dug h ASP 156 N 0.01 -0.01 -0.87 -2.11 3.58 -1.02 -0.13 116.42 115.88 1dug h ASP 156 Ca 0.09 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1dug h ASP 156 Cb 0.14 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1dug h ASP 156 CO -0.19 0.03 0.58 0.00 -2.88 0.00 0.00 179.24 176.78 1dug h ALA 157 N 1.27 1.10 -0.53 -0.78 0.00 -0.47 -1.54 119.26 118.32 1dug h ALA 157 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1dug h ALA 157 Cb 0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dug h ALA 157 CO -0.23 0.50 0.07 -0.07 0.00 0.00 0.00 179.25 179.52 1dug h LEU 158 N 1.18 0.86 -0.41 0.00 3.38 -0.17 -1.24 115.31 118.91 1dug h LEU 158 Ca 0.32 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1dug h LEU 158 Cb -0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 1dug h LEU 158 CO -0.07 0.92 0.19 -0.78 0.09 0.00 0.00 178.44 178.78 1dug h ASP 159 N 0.77 0.26 0.06 -0.43 3.58 -0.58 -1.32 116.42 118.76 1dug h ASP 159 Ca 0.16 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1dug h ASP 159 Cb 0.43 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1dug h ASP 159 CO 0.01 0.19 -0.03 0.58 -2.88 0.00 0.00 179.24 177.12 1dug h VAL 160 N 0.38 1.15 0.00 2.25 2.07 -1.09 -3.10 116.25 117.91 1dug h VAL 160 Ca 0.18 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1dug h VAL 160 Cb 0.10 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1dug h VAL 160 CO -0.14 0.17 -0.21 -0.37 0.02 0.00 0.00 177.57 177.04 1dug h VAL 161 N -0.39 0.95 -0.29 2.57 -1.51 -1.19 -1.88 116.25 114.52 1dug h VAL 161 Ca -0.01 -0.79 -0.05 0.00 -1.23 0.00 0.00 66.70 64.62 1dug h VAL 161 Cb 0.34 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1dug h VAL 161 CO 0.01 0.21 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.45 1dug h LEU 162 N 0.00 0.43 -0.44 4.19 3.38 -1.20 0.16 115.31 121.82 1dug h LEU 162 Ca -0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1dug h LEU 162 Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1dug h LEU 162 CO 0.03 0.53 -0.02 1.88 0.09 0.00 0.00 178.44 180.94 1dug h TYR 163 N 0.43 0.88 -0.54 1.13 -1.99 -1.27 -0.88 116.97 114.74 1dug h TYR 163 Ca 0.09 -0.16 -0.12 0.00 2.00 0.00 0.00 58.73 60.54 1dug h TYR 163 Cb 0.36 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1dug h TYR 163 CO 0.01 0.86 -0.12 1.98 -0.00 0.00 0.00 178.16 180.90 1dug h MET 164 N 0.64 1.02 -2.11 4.88 4.05 -1.21 -3.38 114.93 118.82 1dug h MET 164 Ca 0.12 -0.38 -0.35 0.00 -0.28 0.00 0.00 59.70 58.81 1dug h MET 164 Cb 0.53 -0.06 -0.33 0.00 -0.80 0.00 0.00 31.60 30.94 1dug h MET 164 CO 0.03 1.07 -0.66 0.34 0.23 0.00 0.00 176.91 177.92 1dug s ASP 165 N -6.66 1.58 0.67 1.39 3.68 0.49 -4.97 116.67 112.84 1dug s ASP 165 Ca -0.11 -1.05 0.33 0.00 2.13 0.00 0.00 52.55 53.85 1dug s ASP 165 Cb 0.13 0.49 1.77 0.00 -1.45 0.00 0.00 42.92 43.86 1dug s ASP 165 CO 0.86 -0.35 2.00 -0.65 0.13 0.00 0.00 175.17 177.16 1dug h PRO 166 N 7.87 0.00 -0.48 4.34 0.11 -1.38 -1.28 132.00 141.18 1dug h PRO 166 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1dug h PRO 166 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1dug h PRO 166 CO 0.29 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.75 1dug n MET 167 N -2.92 2.66 0.05 1.05 2.81 -1.26 -4.57 117.12 114.93 1dug n MET 167 Ca -0.02 -2.27 0.08 0.00 -1.81 0.00 0.00 57.70 53.68 1dug n MET 167 Cb 0.33 -1.41 0.33 0.00 -0.71 0.00 0.00 33.22 31.76 1dug n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dug n LEU 169 N -1.75 2.60 -0.31 0.00 4.77 -1.26 -4.62 117.00 116.43 1dug n LEU 169 Ca 0.02 -1.51 0.05 0.00 -0.03 0.00 0.00 56.01 54.54 1dug n LEU 169 Cb 0.15 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.35 1dug n LEU 169 CO 0.13 0.58 1.25 0.44 -1.33 0.00 0.00 177.39 178.46 1dug h ASP 170 N 2.47 0.90 -0.21 -1.43 5.19 -1.77 -1.08 116.42 120.48 1dug h ASP 170 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1dug h ASP 170 Cb 0.66 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1dug h ASP 170 CO 0.00 0.56 0.00 0.00 -3.12 0.00 0.00 179.24 176.68 1dug n ALA 171 N -2.39 2.50 -3.51 3.45 0.00 -1.26 -4.48 120.51 114.81 1dug n ALA 171 Ca 0.14 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 1dug n ALA 171 Cb 0.23 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 1dug n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dug n PHE 172 N 0.32 1.37 -0.33 0.00 3.72 -0.41 -4.96 117.46 117.18 1dug n PHE 172 Ca 0.15 -3.83 0.02 0.00 -0.05 0.00 0.00 57.45 53.74 1dug n PHE 172 Cb 0.30 -0.29 0.20 0.00 -0.94 0.00 0.00 39.48 38.76 1dug n PHE 172 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dug h PRO 173 N 4.94 1.09 -0.36 -1.08 0.13 -1.79 -2.21 132.00 132.72 1dug h PRO 173 Ca 0.18 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 1dug h PRO 173 Cb 0.81 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1dug h PRO 173 CO 0.59 0.72 -0.06 0.87 -0.23 0.00 0.00 178.00 179.89 1dug h LYS 174 N 1.12 0.60 -0.09 0.86 1.57 -1.93 -0.20 116.57 118.51 1dug h LYS 174 Ca 0.39 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1dug h LYS 174 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1dug h LYS 174 CO -0.14 0.67 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.82 1dug h LEU 175 N 0.56 0.29 -0.35 2.94 3.38 -1.78 0.12 115.31 120.47 1dug h LEU 175 Ca 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1dug h LEU 175 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1dug h LEU 175 CO 0.02 0.76 -0.01 0.58 0.09 0.00 0.00 178.44 179.88 1dug h VAL 176 N 0.20 1.26 -0.46 1.22 2.07 -0.84 -0.91 116.25 118.79 1dug h VAL 176 Ca 0.00 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1dug h VAL 176 Cb 1.00 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1dug h VAL 176 CO 0.08 0.33 -0.08 0.00 0.02 0.00 0.00 177.57 177.92 1dug h PHE 178 N 0.74 0.44 -0.49 0.00 3.57 -0.47 0.12 116.94 120.85 1dug h PHE 178 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1dug h PHE 178 Cb 0.57 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1dug h PHE 178 CO 0.03 0.30 0.32 -0.22 -2.23 0.00 0.00 178.31 176.51 1dug h LYS 179 N 0.45 0.64 -0.63 1.11 3.64 -0.93 -1.53 116.57 119.33 1dug h LYS 179 Ca 0.12 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1dug h LYS 179 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1dug h LYS 179 CO -0.03 0.42 0.16 0.87 -2.27 0.00 0.00 179.45 178.61 1dug h LYS 180 N 0.66 0.97 -0.80 1.90 1.57 -1.09 -2.50 116.57 117.28 1dug h LYS 180 Ca 0.18 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1dug h LYS 180 Cb -0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1dug h LYS 180 CO -0.04 0.86 0.32 -0.09 -0.57 0.00 0.00 179.45 179.92 1dug h ARG 181 N 0.93 1.20 -0.47 3.15 2.43 -0.15 -0.46 114.38 121.01 1dug h ARG 181 Ca 0.20 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1dug h ARG 181 Cb 0.32 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1dug h ARG 181 CO -0.00 0.97 0.01 0.82 -1.51 0.00 0.00 179.97 180.26 1dug h ILE 182 N 1.17 1.26 0.00 1.20 1.08 -1.07 -2.57 117.51 118.58 1dug h ILE 182 Ca 0.27 -1.03 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1dug h ILE 182 Cb 0.22 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1dug h ILE 182 CO -0.02 0.36 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.41 1dug h GLU 183 N 0.67 0.00 0.00 2.37 5.08 -1.13 -2.48 114.58 119.10 1dug h GLU 183 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1dug h GLU 183 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1dug h GLU 183 CO 0.02 0.06 -0.26 0.00 -1.00 0.00 0.00 179.01 177.84 1dug n ALA 184 N -2.15 2.57 -1.80 3.43 0.00 -0.21 -3.46 120.51 118.90 1dug n ALA 184 Ca -0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1dug n ALA 184 Cb 0.28 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1dug n ALA 184 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dug s ILE 185 N -3.12 2.70 0.22 0.00 1.01 -0.93 -4.81 121.20 116.27 1dug s ILE 185 Ca 0.09 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1dug s ILE 185 Cb 0.13 -3.14 0.24 0.00 0.01 0.00 0.00 42.46 39.70 1dug s ILE 185 CO 0.65 0.00 1.58 -0.65 0.00 0.00 0.00 174.94 176.51 1dug h PRO 186 N 8.40 -0.06 -0.32 2.79 0.11 -1.89 0.11 132.00 141.14 1dug h PRO 186 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1dug h PRO 186 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1dug h PRO 186 CO 0.94 -0.04 -0.06 1.96 -0.21 0.00 0.00 178.00 180.60 1dug h GLN 187 N -0.06 0.51 -0.07 1.05 7.50 -1.90 -2.22 115.11 119.92 1dug h GLN 187 Ca 0.33 -0.13 -0.12 0.00 0.50 0.00 0.00 58.65 59.23 1dug h GLN 187 Cb 0.58 -0.07 0.01 0.00 0.05 0.00 0.00 27.48 28.05 1dug h GLN 187 CO -0.83 0.58 -0.44 0.82 -1.50 0.00 0.00 178.83 177.47 1dug h ILE 188 N 0.49 1.40 -0.45 2.54 1.08 -1.51 -2.10 117.51 118.96 1dug h ILE 188 Ca 0.10 -1.82 0.06 0.00 -0.39 0.00 0.00 64.86 62.81 1dug h ILE 188 Cb 0.40 2.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 1dug h ILE 188 CO 0.02 0.53 0.15 -0.78 -0.69 0.00 0.00 178.15 177.38 1dug h ASP 189 N -0.04 0.13 -0.54 1.72 3.58 -0.71 0.68 116.42 121.24 1dug h ASP 189 Ca -0.03 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1dug h ASP 189 Cb 1.09 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 1dug h ASP 189 CO 0.09 0.11 0.31 0.50 -2.88 0.00 0.00 179.24 177.37 1dug h LYS 190 N 0.31 0.75 -0.30 0.28 3.64 -1.42 -2.92 116.57 116.90 1dug h LYS 190 Ca 0.21 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1dug h LYS 190 Cb 0.23 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1dug h LYS 190 CO -0.23 0.57 0.12 -0.92 -2.27 0.00 0.00 179.45 176.72 1dug h TYR 191 N 0.73 0.46 0.00 1.91 3.20 -0.63 -1.41 116.97 121.23 1dug h TYR 191 Ca 0.19 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1dug h TYR 191 Cb 0.03 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1dug h TYR 191 CO -0.02 0.45 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.88 1dug h LEU 192 N 0.34 0.00 -1.18 2.82 3.38 -0.79 -0.97 115.31 118.92 1dug h LEU 192 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dug h LEU 192 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dug h LEU 192 CO -0.01 0.00 -0.25 0.29 0.09 0.00 0.00 178.44 178.57 1dug n LYS 193 N -3.21 1.58 -1.95 1.13 5.02 -1.01 -1.60 118.16 118.12 1dug n LYS 193 Ca -0.03 -1.10 -0.29 0.00 -2.02 0.00 0.00 58.31 54.86 1dug n LYS 193 Cb 0.10 -1.34 0.17 0.00 -0.02 0.00 0.00 35.03 33.94 1dug n LYS 193 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1dug s SER 194 N -1.89 3.31 0.00 4.39 1.04 -0.37 -4.91 113.70 115.27 1dug s SER 194 Ca 0.17 0.30 0.27 0.00 0.48 0.00 0.00 55.95 57.17 1dug s SER 194 Cb 0.15 -0.41 0.84 0.00 0.10 0.00 0.00 66.02 66.70 1dug s SER 194 CO 0.38 -2.61 1.65 -1.54 0.98 0.00 0.00 173.24 172.10 1dug n SER 195 N -3.68 0.28 0.03 7.02 3.41 -1.26 -3.50 113.62 115.92 1dug n SER 195 Ca 0.14 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1dug n SER 195 Cb 0.60 -0.08 0.31 0.00 -0.26 0.00 0.00 64.21 64.77 1dug n SER 195 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dug n LYS 196 N -1.48 0.11 -2.26 4.33 5.02 -1.26 -3.74 118.16 118.88 1dug n LYS 196 Ca 0.06 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 1dug n LYS 196 Cb 0.34 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1dug n LYS 196 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1dug s TYR 197 N -3.06 3.30 -0.45 2.13 5.04 -1.23 -4.85 117.35 118.23 1dug s TYR 197 Ca 0.10 1.25 -0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1dug s TYR 197 Cb 0.16 -3.56 0.12 0.00 0.35 0.00 0.00 41.96 39.03 1dug s TYR 197 CO 0.67 -1.75 0.24 0.42 -1.34 0.00 0.00 175.55 173.79 1dug s ILE 198 N 0.18 3.26 -0.18 3.14 1.01 -1.26 -4.70 121.20 122.65 1dug s ILE 198 Ca 0.56 -2.30 0.23 0.00 0.00 0.00 0.00 60.65 59.14 1dug s ILE 198 Cb -0.35 -3.23 0.25 0.00 0.01 0.00 0.00 42.46 39.14 1dug s ILE 198 CO 0.37 -0.72 1.66 0.00 0.00 0.00 0.00 174.94 176.25 1dug h ALA 199 N 7.76 0.92 -2.22 9.38 0.00 -1.63 -3.41 119.26 130.05 1dug h ALA 199 Ca -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1dug h ALA 199 Cb 1.02 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 1dug h ALA 199 CO 0.69 0.22 0.19 -0.46 0.00 0.00 0.00 179.25 179.89 1dug s TRP 200 N -3.29 -0.63 0.83 0.00 -0.11 -1.26 -4.73 118.94 109.75 1dug s TRP 200 Ca 0.04 0.95 -0.12 0.00 1.22 0.00 0.00 56.10 58.19 1dug s TRP 200 Cb 0.07 0.44 0.09 0.00 -1.50 0.00 0.00 33.47 32.57 1dug s TRP 200 CO 0.67 -0.66 1.14 -1.25 -4.62 0.00 0.00 176.95 172.22 1dug s PRO 201 N -1.75 1.83 -0.01 5.86 0.04 -1.26 -4.17 135.00 135.53 1dug s PRO 201 Ca -0.08 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.22 1dug s PRO 201 Cb -0.00 -1.92 -0.29 0.00 0.04 0.00 0.00 34.50 32.33 1dug s PRO 201 CO 0.05 -1.73 0.79 -0.07 0.04 0.00 0.00 177.00 176.08 1dug h LEU 202 N -1.16 0.47 0.00 -3.56 3.38 -1.40 -1.69 115.31 111.35 1dug h LEU 202 Ca -0.48 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 56.82 1dug h LEU 202 Cb 1.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1dug h LEU 202 CO 0.63 1.56 0.00 0.00 0.09 0.00 0.00 178.44 180.72 1dug n GLN 203 N -3.50 2.30 -1.81 1.13 1.13 -0.26 -1.69 117.38 114.69 1dug n GLN 203 Ca -0.19 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.52 1dug n GLN 203 Cb 1.06 0.00 0.05 0.00 0.11 0.00 0.00 30.24 31.46 1dug n GLN 203 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1dug s GLY 204 N -0.92 2.49 0.42 1.08 0.00 -1.26 -4.76 107.32 104.38 1dug s GLY 204 Ca 0.00 0.86 0.19 0.00 0.00 0.00 0.00 44.72 45.77 1dug s GLY 204 CO 0.00 1.24 1.84 1.49 0.00 0.00 0.00 173.10 177.67 1dug h TRP 205 N 0.40 0.52 0.00 1.90 6.55 -1.88 -1.72 115.95 121.72 1dug h TRP 205 Ca -0.49 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.37 1dug h TRP 205 Cb 1.28 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.43 1dug h TRP 205 CO 0.49 0.12 0.00 1.04 -1.05 0.00 0.00 178.44 179.04 1dug n GLN 206 N -4.51 0.17 -1.67 0.49 6.02 -1.26 -0.43 117.38 116.19 1dug n GLN 206 Ca 0.20 0.29 -0.40 0.00 -0.01 0.00 0.00 57.00 57.09 1dug n GLN 206 Cb 0.76 -1.77 0.03 0.00 1.02 0.00 0.00 30.24 30.28 1dug n GLN 206 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dug n ALA 207 N -1.72 0.86 0.04 -1.58 0.00 -0.65 -4.91 120.51 112.56 1dug n ALA 207 Ca 0.04 0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1dug n ALA 207 Cb 0.30 -2.21 0.10 0.00 0.00 0.00 0.00 19.45 17.64 1dug n ALA 207 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1dug h THR 208 N 1.50 1.35 -3.58 0.00 2.02 -0.35 -3.30 112.91 110.55 1dug h THR 208 Ca -0.48 -1.84 -0.68 0.00 0.77 0.00 0.00 66.41 64.18 1dug h THR 208 Cb 1.32 1.85 -0.29 0.00 -1.74 0.00 0.00 68.15 69.29 1dug h THR 208 CO 0.57 0.56 -0.83 0.12 0.37 0.00 0.00 175.52 176.31 1dug s PHE 209 N -3.92 2.63 -1.00 3.16 5.36 -0.47 -4.64 117.98 119.11 1dug s PHE 209 Ca -0.06 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 1dug s PHE 209 Cb 0.12 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1dug s PHE 209 CO 0.82 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 174.76 1dug n GLY 210 N 3.24 0.89 0.00 13.12 0.00 -1.26 -4.61 105.19 116.57 1dug n GLY 210 Ca -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1dug n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 211 N -1.62 3.05 0.00 -0.02 0.00 -1.24 -1.09 105.19 104.26 1dug n GLY 211 Ca -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1dug n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 212 N 5.00 -1.32 0.20 -0.02 0.00 0.43 -4.61 105.19 104.87 1dug n GLY 212 Ca 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.52 1dug n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dug h ASP 213 N 0.00 0.00 -5.05 1.61 3.45 -1.96 -3.38 116.42 111.09 1dug h ASP 213 Ca 0.00 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1dug h ASP 213 Cb 0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 38.59 1dug h ASP 213 CO 0.00 0.21 -0.48 -1.00 -1.57 0.00 0.00 179.24 176.40 1dug s HIS 214 N -3.30 0.12 -0.10 4.55 3.76 -1.26 -4.60 115.29 114.46 1dug s HIS 214 Ca 0.04 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 1dug s HIS 214 Cb 0.08 -0.09 -0.06 0.00 1.11 0.00 0.00 32.58 33.61 1dug s HIS 214 CO 0.67 -0.36 1.95 -1.25 -0.85 0.00 0.00 174.74 174.90 1dug s PRO 215 N -2.25 3.78 0.00 8.40 0.04 -1.26 -4.98 135.00 138.73 1dug s PRO 215 Ca -0.08 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1dug s PRO 215 Cb -0.03 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1dug s PRO 215 CO -0.03 -1.35 0.00 -0.35 0.04 0.00 0.00 177.00 175.31 1dug n PRO 216 N 7.89 0.00 -3.95 0.56 -0.04 -1.26 -4.91 135.00 133.28 1dug n PRO 216 Ca 0.22 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1dug n PRO 216 Cb 0.43 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.81 1dug n PRO 216 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1dug s LYS 217 N 0.00 0.88 -1.60 0.54 0.00 -1.26 -4.72 119.74 113.58 1dug s LYS 217 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 55.97 54.86 1dug s LYS 217 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 37.83 38.15 1dug s LYS 217 CO 0.00 -0.27 0.00 0.45 0.00 0.00 0.00 175.35 175.53 1dug n SER 218 N -0.07 -4.82 0.02 0.03 2.88 -1.26 -4.68 113.62 105.72 1dug n SER 218 Ca -0.12 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1dug n SER 218 Cb 0.62 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.43 1dug n SER 218 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1dug n ASP 219 N -0.44 -0.15 -4.11 -3.46 8.00 -1.26 -4.89 116.55 110.24 1dug n ASP 219 Ca -0.15 0.06 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 1dug n ASP 219 Cb 0.50 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.80 1dug n ASP 219 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1dug n PRO 220 N -2.59 0.05 -3.45 -0.24 -0.04 -1.26 -4.31 135.00 123.15 1dug n PRO 220 Ca 0.00 -1.22 -0.24 0.00 -0.04 0.00 0.00 63.50 61.99 1dug n PRO 220 Cb 0.00 -3.03 -0.11 0.00 -0.04 0.00 0.00 33.50 30.31 1dug n PRO 220 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1dug s GLN 221 N 7.42 0.43 -0.29 0.54 2.00 -1.26 -5.05 119.66 123.44 1dug s GLN 221 Ca 0.66 -0.81 -0.03 0.00 -2.00 0.00 0.00 55.36 53.19 1dug s GLN 221 Cb 0.03 -1.02 0.19 0.00 0.80 0.00 0.00 33.01 33.01 1dug s GLN 221 CO 0.22 -1.13 0.82 -1.14 -0.50 0.00 0.00 175.29 173.57 1dug s GLN 222 N 1.65 0.35 1.13 1.67 -0.44 -1.26 -4.02 119.66 118.73 1dug s GLN 222 Ca 0.14 0.37 -0.18 0.00 -2.50 0.00 0.00 55.36 53.18 1dug s GLN 222 Cb -0.18 0.17 0.26 0.00 -1.64 0.00 0.00 33.01 31.62 1dug s GLN 222 CO -0.16 -0.63 1.18 -3.38 0.50 0.00 0.00 175.29 172.80 1dug s HIS 223 N 2.90 0.81 -0.25 1.67 -3.43 -1.26 -4.80 115.29 110.93 1dug s HIS 223 Ca 0.18 0.44 -0.03 0.00 -0.80 0.00 0.00 55.06 54.85 1dug s HIS 223 Cb -0.06 -3.66 0.01 0.00 -1.43 0.00 0.00 32.58 27.44 1dug s HIS 223 CO -0.24 -3.51 0.05 1.58 -2.00 0.00 0.00 174.74 170.63 1dug n HIS 224 N -4.46 -3.71 -0.93 0.38 -0.00 -1.26 -5.07 115.22 100.18 1dug n HIS 224 Ca 0.14 1.77 0.00 0.00 -0.00 0.00 0.00 57.72 59.63 1dug n HIS 224 Cb 0.59 -3.69 0.00 0.00 -0.00 0.00 0.00 29.99 26.89 1dug n HIS 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dug n LEU 225 N 1.01 0.00 0.00 0.27 4.77 -1.26 -5.07 117.00 116.72 1dug n LEU 225 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1dug n LEU 225 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1dug n LEU 225 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1dug n GLY 226 N 0.00 1.00 0.00 -0.72 0.00 -0.63 -4.65 105.19 100.19 1dug n GLY 226 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dug n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 227 N 0.00 0.73 3.36 -0.02 0.00 -1.26 -4.86 105.19 103.14 1dug n GLY 227 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 1dug n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dug n ALA 228 N 1.12 -1.77 0.11 4.61 0.00 -1.26 -4.26 120.51 119.06 1dug n ALA 228 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1dug n ALA 228 Cb 0.00 -3.02 0.07 0.00 0.00 0.00 0.00 19.45 16.50 1dug n ALA 228 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dug h LYS 229 N -1.99 0.00 -1.87 0.00 1.79 -1.92 -2.53 116.57 110.04 1dug h LYS 229 Ca -0.56 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.83 1dug h LYS 229 Cb 1.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1dug h LYS 229 CO 0.49 0.75 0.10 0.94 -1.08 0.00 0.00 179.45 180.65 1dug n GLN 230 N -3.62 1.20 0.00 3.15 7.27 -1.26 -4.31 117.38 119.81 1dug n GLN 230 Ca -0.01 -0.39 0.00 0.00 0.07 0.00 0.00 57.00 56.67 1dug n GLN 230 Cb 0.73 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 32.23 1dug n GLN 230 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dug n ALA 231 N 1.20 0.00 -2.63 1.69 0.00 -1.20 -4.87 120.51 114.71 1dug n ALA 231 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1dug n ALA 231 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1dug n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dug n GLY 232 N 0.00 -4.73 0.00 0.00 0.00 -1.26 -4.37 105.19 94.83 1dug n GLY 232 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1dug n GLY 232 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dug n ASP 233 N 1.12 0.00 0.00 1.61 9.92 -1.25 -4.32 116.55 123.64 1dug n ASP 233 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1dug n ASP 233 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1dug n ASP 233 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66