#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dci s THR 3 N 0.00 1.53 -0.05 -0.18 -4.23 -1.26 -0.93 115.64 110.53 3dci s THR 3 Ca 0.00 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3dci s THR 3 Cb 0.00 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3dci s THR 3 CO 0.00 0.43 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.76 3dci s VAL 4 N -0.42 0.68 -0.23 2.29 1.01 0.08 -0.83 120.40 122.98 3dci s VAL 4 Ca 0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 3dci s VAL 4 Cb -0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3dci s VAL 4 CO -0.01 0.25 0.26 -0.22 0.00 0.00 0.00 175.10 175.39 3dci s LEU 5 N 0.80 4.12 -0.54 3.92 2.96 -0.20 -0.44 118.68 129.31 3dci s LEU 5 Ca -0.12 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3dci s LEU 5 Cb -0.15 -2.27 0.14 0.00 0.50 0.00 0.00 46.19 44.41 3dci s LEU 5 CO 0.01 -0.00 0.42 0.00 -1.32 0.00 0.00 176.35 175.46 3dci s ALA 6 N 1.22 3.51 -0.22 5.97 0.00 -0.38 -0.30 121.76 131.56 3dci s ALA 6 Ca 0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 51.96 49.31 3dci s ALA 6 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3dci s ALA 6 CO 0.06 -1.98 -0.01 0.12 0.00 0.00 0.00 175.76 173.96 3dci s PHE 7 N 1.06 3.00 0.00 0.00 5.36 0.10 -0.57 117.98 126.93 3dci s PHE 7 Ca 0.08 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 3dci s PHE 7 Cb -0.24 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3dci s PHE 7 CO -0.02 -0.45 0.00 0.41 -1.46 0.00 0.00 175.22 173.71 3dci n GLY 8 N 4.74 2.43 0.00 13.12 0.00 -0.61 -4.17 105.19 120.70 3dci n GLY 8 Ca -0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3dci n GLY 8 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dci n ASP 9 N 0.00 0.14 0.31 1.61 5.68 -1.26 -1.82 116.55 121.21 3dci n ASP 9 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.49 3dci n ASP 9 Cb 0.00 0.00 1.00 0.00 -1.14 0.00 0.00 41.12 40.98 3dci n ASP 9 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dci h SER 10 N 0.00 0.00 0.50 -1.12 4.64 -1.86 -0.45 113.55 115.26 3dci h SER 10 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3dci h SER 10 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3dci h SER 10 CO 0.00 0.02 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.62 3dci h LEU 11 N 0.00 0.00 0.11 5.97 3.38 -1.92 0.28 115.31 123.13 3dci h LEU 11 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3dci h LEU 11 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3dci h LEU 11 CO 0.00 0.29 -1.81 0.74 0.09 0.00 0.00 178.44 177.75 3dci h THR 12 N 0.00 0.74 -0.80 0.22 2.02 -1.57 -3.30 112.91 110.22 3dci h THR 12 Ca -0.00 -2.34 0.14 0.00 0.77 0.00 0.00 66.41 64.98 3dci h THR 12 Cb 0.62 2.51 -0.09 0.00 -1.74 0.00 0.00 68.15 69.44 3dci h THR 12 CO 0.04 0.79 0.38 -0.25 0.37 0.00 0.00 175.52 176.85 3dci h TRP 13 N -0.12 0.66 -0.09 3.16 7.01 -1.10 -3.42 115.95 122.05 3dci h TRP 13 Ca -0.39 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.64 3dci h TRP 13 Cb 1.91 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.80 3dci h TRP 13 CO 0.09 0.14 0.00 0.41 -2.79 0.00 0.00 178.44 176.29 3dci n GLY 14 N -1.32 0.88 3.72 2.65 0.00 0.85 -4.71 105.19 107.26 3dci n GLY 14 Ca 0.15 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3dci n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dci s ALA 15 N -1.97 3.26 0.16 4.61 0.00 -0.48 0.02 121.76 127.36 3dci s ALA 15 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 3dci s ALA 15 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 3dci s ALA 15 CO 0.00 -0.14 1.47 0.34 0.00 0.00 0.00 175.76 177.44 3dci s ASP 16 N 0.78 6.69 0.32 0.00 2.15 0.07 -4.30 116.67 122.39 3dci s ASP 16 Ca 0.44 2.51 0.02 0.00 0.43 0.00 0.00 52.55 55.95 3dci s ASP 16 Cb -0.19 -2.60 0.58 0.00 -0.30 0.00 0.00 42.92 40.41 3dci s ASP 16 CO 0.23 -0.73 1.95 -0.65 -0.17 0.00 0.00 175.17 175.79 3dci h PRO 17 N 6.47 0.93 0.06 4.34 0.11 -1.90 0.12 132.00 142.14 3dci h PRO 17 Ca -0.43 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dci h PRO 17 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3dci h PRO 17 CO 0.87 0.61 -0.03 0.00 -0.21 0.00 0.00 178.00 179.24 3dci h ALA 18 N 1.54 -0.09 0.00 -0.75 0.00 -1.93 -3.41 119.26 114.63 3dci h ALA 18 Ca 0.33 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3dci h ALA 18 Cb 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dci h ALA 18 CO -0.11 -0.08 -1.30 1.79 0.00 0.00 0.00 179.25 179.55 3dci h THR 19 N -1.02 0.52 0.00 0.00 1.35 -1.98 -3.48 112.91 108.30 3dci h THR 19 Ca -0.01 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3dci h THR 19 Cb 0.13 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3dci h THR 19 CO 0.01 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3dci n GLY 20 N 1.37 1.37 3.88 5.82 0.00 0.03 -4.98 105.19 112.67 3dci n GLY 20 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3dci n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dci s LEU 21 N 0.00 3.24 0.24 0.99 1.43 -1.26 -4.47 118.68 118.85 3dci s LEU 21 Ca 0.00 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.10 3dci s LEU 21 Cb 0.00 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 3dci s LEU 21 CO 0.00 -0.90 1.19 -0.60 0.23 0.00 0.00 176.35 176.27 3dci s ARG 22 N -5.14 4.51 0.63 1.70 3.52 -1.26 -0.75 118.95 122.16 3dci s ARG 22 Ca 0.54 1.92 -0.18 0.00 -0.13 0.00 0.00 55.73 57.88 3dci s ARG 22 Cb -0.11 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 3dci s ARG 22 CO 0.52 -0.02 1.26 -1.01 -0.81 0.00 0.00 175.30 175.25 3dci s HIS 23 N -0.57 2.19 0.44 5.12 3.76 0.10 -4.86 115.29 121.47 3dci s HIS 23 Ca 0.50 1.50 -0.23 0.00 -0.15 0.00 0.00 55.06 56.68 3dci s HIS 23 Cb -0.34 -3.61 -0.10 0.00 1.11 0.00 0.00 32.58 29.64 3dci s HIS 23 CO 0.41 -2.66 0.88 -2.30 -0.85 0.00 0.00 174.74 170.22 3dci n PRO 24 N -1.84 1.08 -0.21 8.40 -0.02 -1.26 -4.79 135.00 136.36 3dci n PRO 24 Ca 0.15 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3dci n PRO 24 Cb 0.49 -1.91 0.36 0.00 -0.02 0.00 0.00 33.50 32.42 3dci n PRO 24 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3dci h VAL 25 N 1.21 0.97 0.00 -1.45 3.04 -1.97 0.13 116.25 118.18 3dci h VAL 25 Ca -0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3dci h VAL 25 Cb 1.36 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3dci h VAL 25 CO 0.55 0.14 0.06 -0.33 -1.01 0.00 0.00 177.57 176.97 3dci h GLU 26 N 0.75 0.00 -0.01 4.17 3.07 -1.97 -1.95 114.58 118.64 3dci h GLU 26 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3dci h GLU 26 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3dci h GLU 26 CO -0.13 0.00 -0.23 0.72 -1.40 0.00 0.00 179.01 177.96 3dci n HIS 27 N -2.73 0.00 -2.64 4.33 8.25 0.03 -4.67 115.22 117.78 3dci n HIS 27 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 3dci n HIS 27 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 3dci n HIS 27 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dci s ARG 28 N -1.57 4.75 0.19 -0.41 0.52 -0.73 -2.68 118.95 119.01 3dci s ARG 28 Ca 0.12 1.61 -0.10 0.00 -0.52 0.00 0.00 55.73 56.84 3dci s ARG 28 Cb 0.11 -3.26 0.10 0.00 0.52 0.00 0.00 34.95 32.42 3dci s ARG 28 CO 0.31 0.35 1.71 0.11 0.02 0.00 0.00 175.30 177.81 3dci h TRP 29 N 4.28 1.11 -0.67 -0.53 5.08 -1.82 -0.69 115.95 122.70 3dci h TRP 29 Ca -0.45 -0.12 -0.00 0.00 1.08 0.00 0.00 58.89 59.40 3dci h TRP 29 Cb 1.21 -0.32 -0.03 0.00 -3.00 0.00 0.00 29.16 27.02 3dci h TRP 29 CO 0.61 0.90 0.42 -1.35 -1.28 0.00 0.00 178.44 177.73 3dci h PRO 30 N 0.99 0.91 -0.63 0.12 0.11 -1.93 0.99 132.00 132.56 3dci h PRO 30 Ca 0.21 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3dci h PRO 30 Cb 0.33 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3dci h PRO 30 CO -0.00 0.63 0.16 0.22 -0.21 0.00 0.00 178.00 178.81 3dci h ASP 31 N 0.91 0.95 0.04 -2.05 3.58 -1.76 -1.82 116.42 116.28 3dci h ASP 31 Ca 0.24 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 3dci h ASP 31 Cb -0.05 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.75 3dci h ASP 31 CO -0.05 0.93 -0.02 0.58 -2.88 0.00 0.00 179.24 177.81 3dci h VAL 32 N 0.93 1.00 -0.55 2.25 2.07 -0.97 -1.24 116.25 119.74 3dci h VAL 32 Ca 0.20 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.68 3dci h VAL 32 Cb 0.34 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3dci h VAL 32 CO 0.00 0.03 0.16 0.25 0.02 0.00 0.00 177.57 178.03 3dci h LEU 33 N -0.11 0.11 -0.23 2.57 5.85 -0.72 0.28 115.31 123.07 3dci h LEU 33 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dci h LEU 33 Cb 0.09 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3dci h LEU 33 CO 0.01 0.08 0.14 -0.08 -0.34 0.00 0.00 178.44 178.25 3dci h GLU 34 N 0.32 0.31 -0.98 1.25 4.81 -1.23 -1.25 114.58 117.81 3dci h GLU 34 Ca 0.27 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 3dci h GLU 34 Cb 0.35 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 3dci h GLU 34 CO -0.31 0.25 0.64 0.00 -0.73 0.00 0.00 179.01 178.86 3dci h ALA 35 N 1.05 1.30 -0.58 2.92 0.00 -0.72 -2.50 119.26 120.72 3dci h ALA 35 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dci h ALA 35 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3dci h ALA 35 CO -0.02 0.53 0.15 0.93 0.00 0.00 0.00 179.25 180.85 3dci h GLU 36 N 1.24 0.89 0.00 0.00 4.39 -0.58 -2.30 114.58 118.23 3dci h GLU 36 Ca 0.39 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3dci h GLU 36 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3dci h GLU 36 CO -0.12 0.79 0.00 1.28 -1.16 0.00 0.00 179.01 179.80 3dci n LEU 37 N -4.27 0.05 -3.66 1.33 4.77 -0.51 -4.92 117.00 109.78 3dci n LEU 37 Ca 0.04 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 3dci n LEU 37 Cb 0.22 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3dci n LEU 37 CO 0.40 -0.11 0.02 0.00 -1.33 0.00 0.00 177.39 176.37 3dci n ALA 38 N -1.52 -1.86 0.00 -1.18 0.00 -0.87 -1.77 120.51 113.32 3dci n ALA 38 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dci n ALA 38 Cb 0.28 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3dci n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dci n GLY 39 N -1.53 0.81 0.19 0.00 0.00 -1.26 -4.92 105.19 98.48 3dci n GLY 39 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3dci n GLY 39 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dci h LYS 40 N 3.47 0.60 -5.10 1.61 3.64 -1.69 -3.46 116.57 115.63 3dci h LYS 40 Ca 0.00 -0.19 -0.36 0.00 -1.27 0.00 0.00 60.65 58.83 3dci h LYS 40 Cb 0.00 -0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 31.56 3dci h LYS 40 CO 0.00 0.71 -0.76 0.00 -2.27 0.00 0.00 179.45 177.13 3dci s ALA 41 N -5.03 1.04 -0.20 5.00 0.00 -1.26 -0.95 121.76 120.37 3dci s ALA 41 Ca -0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3dci s ALA 41 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3dci s ALA 41 CO 0.77 0.08 0.08 0.21 0.00 0.00 0.00 175.76 176.90 3dci s LYS 42 N -1.96 3.96 -0.20 0.00 2.20 -0.10 -4.87 119.74 118.76 3dci s LYS 42 Ca -0.02 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.20 3dci s LYS 42 Cb -0.08 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3dci s LYS 42 CO 0.01 0.18 -0.00 0.08 -0.36 0.00 0.00 175.35 175.26 3dci s VAL 43 N 0.64 3.91 -0.43 4.02 1.01 -1.26 -0.74 120.40 127.55 3dci s VAL 43 Ca 0.04 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 3dci s VAL 43 Cb -0.13 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.52 3dci s VAL 43 CO 0.01 0.43 0.43 -1.00 0.00 0.00 0.00 175.10 174.97 3dci s HIS 44 N 1.01 3.18 0.00 5.22 0.09 0.41 -4.94 115.29 120.26 3dci s HIS 44 Ca 0.02 -0.49 -0.30 0.00 -0.00 0.00 0.00 55.06 54.28 3dci s HIS 44 Cb -0.14 -2.93 -0.04 0.00 -0.00 0.00 0.00 32.58 29.46 3dci s HIS 44 CO 0.02 -0.72 1.18 -1.25 -0.00 0.00 0.00 174.74 173.96 3dci s PRO 45 N 2.05 4.41 -0.39 8.40 0.04 -1.26 -1.25 135.00 146.99 3dci s PRO 45 Ca 0.10 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.92 3dci s PRO 45 Cb -0.18 -3.45 0.25 0.00 0.04 0.00 0.00 34.50 31.15 3dci s PRO 45 CO 0.12 -0.32 0.53 0.39 0.04 0.00 0.00 177.00 177.75 3dci n GLU 46 N 4.51 0.73 -3.68 4.56 -0.58 0.27 -4.95 120.64 121.49 3dci n GLU 46 Ca 0.10 -3.24 -0.38 0.00 -0.42 0.00 0.00 57.16 53.22 3dci n GLU 46 Cb 0.47 -1.23 -0.12 0.00 -0.57 0.00 0.00 31.44 29.99 3dci n GLU 46 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3dci s GLY 47 N -1.22 1.84 -0.18 0.62 0.00 -1.26 -1.57 107.32 105.56 3dci s GLY 47 Ca 0.35 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3dci s GLY 47 CO -0.11 0.68 -0.18 -2.27 0.00 0.00 0.00 173.10 171.22 3dci s LEU 48 N 1.58 2.26 0.01 0.66 0.20 -0.76 -4.04 118.68 118.60 3dci s LEU 48 Ca 0.04 -0.59 -0.33 0.00 0.69 0.00 0.00 54.13 53.94 3dci s LEU 48 Cb -0.17 -1.52 -0.12 0.00 -0.43 0.00 0.00 46.19 43.95 3dci s LEU 48 CO 0.05 0.02 1.80 0.61 -0.29 0.00 0.00 176.35 178.54 3dci n GLY 49 N 4.50 1.42 1.00 7.98 0.00 -1.26 -1.72 105.19 117.11 3dci n GLY 49 Ca -0.20 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3dci n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dci n GLY 50 N 4.13 0.74 3.76 -0.02 0.00 -1.26 -4.85 105.19 107.69 3dci n GLY 50 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3dci n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dci s ARG 51 N -0.67 4.26 0.41 1.61 3.52 -0.70 -4.87 118.95 122.51 3dci s ARG 51 Ca 0.00 2.34 0.08 0.00 -0.13 0.00 0.00 55.73 58.02 3dci s ARG 51 Cb 0.00 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3dci s ARG 51 CO 0.00 -0.38 0.28 0.95 -0.81 0.00 0.00 175.30 175.34 3dci s THR 52 N -0.62 2.53 0.04 4.11 -4.23 -0.38 -4.48 115.64 112.62 3dci s THR 52 Ca 0.55 -1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 59.27 3dci s THR 52 Cb -0.42 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.24 3dci s THR 52 CO 0.51 -0.01 1.45 0.71 -0.54 0.00 0.00 174.62 176.74 3dci h THR 53 N 1.23 0.65 0.00 3.99 1.35 -1.92 -1.40 112.91 116.82 3dci h THR 53 Ca -0.42 -0.31 -0.14 0.00 -0.55 0.00 0.00 66.41 64.99 3dci h THR 53 Cb 1.26 0.81 -0.21 0.00 -1.73 0.00 0.00 68.15 68.28 3dci h THR 53 CO 0.63 0.06 -0.52 0.00 -0.25 0.00 0.00 175.52 175.45 3dci s TYR 55 N 0.00 2.61 0.46 0.00 2.02 -1.26 -4.88 117.35 116.29 3dci s TYR 55 Ca 0.10 -0.85 -0.24 0.00 -0.37 0.00 0.00 57.07 55.71 3dci s TYR 55 Cb 0.12 -1.72 -0.07 0.00 -0.40 0.00 0.00 41.96 39.89 3dci s TYR 55 CO -0.05 -0.30 1.28 -0.51 -1.57 0.00 0.00 175.55 174.39 3dci s ASP 56 N 0.20 6.01 -0.26 2.29 1.01 -1.26 -3.81 116.67 120.85 3dci s ASP 56 Ca -0.13 2.58 -0.02 0.00 0.71 0.00 0.00 52.55 55.70 3dci s ASP 56 Cb -0.16 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.28 3dci s ASP 56 CO 0.07 -1.05 0.41 -0.62 0.21 0.00 0.00 175.17 174.19 3dci s ASP 57 N -0.97 0.03 -0.14 0.27 3.68 -1.26 -4.96 116.67 113.32 3dci s ASP 57 Ca 0.62 0.23 0.10 0.00 2.13 0.00 0.00 52.55 55.64 3dci s ASP 57 Cb -0.36 1.26 0.55 0.00 -1.45 0.00 0.00 42.92 42.92 3dci s ASP 57 CO 0.45 -0.30 1.36 1.41 0.13 0.00 0.00 175.17 178.22 3dci n HIS 58 N 5.37 1.34 1.65 -5.34 8.25 -1.26 -3.99 115.22 121.24 3dci n HIS 58 Ca -0.03 -0.48 0.15 0.00 -0.26 0.00 0.00 57.72 57.11 3dci n HIS 58 Cb 0.50 -0.33 0.72 0.00 1.12 0.00 0.00 29.99 32.00 3dci n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dci n ALA 59 N 0.51 2.68 -2.58 -1.41 0.00 -1.26 -4.87 120.51 113.57 3dci n ALA 59 Ca 0.19 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3dci n ALA 59 Cb 0.84 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 3dci n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dci s GLY 60 N -2.18 2.67 0.00 0.00 0.00 -1.26 -5.04 107.32 101.52 3dci s GLY 60 Ca 0.38 -1.01 0.27 0.00 0.00 0.00 0.00 44.72 44.36 3dci s GLY 60 CO 0.40 -2.06 1.86 -1.55 0.00 0.00 0.00 173.10 171.75 3dci n PRO 61 N -1.43 0.02 -4.09 2.90 -0.04 -1.26 -4.85 135.00 126.25 3dci n PRO 61 Ca -0.10 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 3dci n PRO 61 Cb 0.66 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 3dci n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dci s ALA 62 N -2.98 0.58 0.12 0.55 0.00 -1.26 -5.13 121.76 113.64 3dci s ALA 62 Ca 0.13 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.69 3dci s ALA 62 Cb 0.17 0.18 -0.16 0.00 0.00 0.00 0.00 23.12 23.31 3dci s ALA 62 CO 0.48 -0.23 1.40 0.00 0.00 0.00 0.00 175.76 177.42 3dci n ARG 64 N 2.72 1.46 -2.38 0.00 1.74 -1.26 -4.93 116.66 114.01 3dci n ARG 64 Ca 0.17 -1.58 -0.43 0.00 -0.77 0.00 0.00 57.85 55.24 3dci n ARG 64 Cb 0.23 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3dci n ARG 64 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dci s ASN 65 N -1.26 6.49 0.36 0.55 3.84 -1.25 -1.24 114.94 122.43 3dci s ASN 65 Ca 0.21 1.01 0.05 0.00 0.21 0.00 0.00 52.86 54.34 3dci s ASN 65 Cb 0.14 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 38.98 3dci s ASN 65 CO 0.20 -1.27 1.94 1.23 -2.79 0.00 0.00 177.10 176.41 3dci h GLY 66 N 11.57 0.58 1.08 1.21 0.00 -1.14 -2.91 103.07 113.46 3dci h GLY 66 Ca -0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 3dci h GLY 66 CO 1.06 0.28 -0.23 0.00 0.00 0.00 0.00 176.54 177.65 3dci h ALA 67 N 1.58 0.63 -0.33 3.60 0.00 -1.49 0.12 119.26 123.37 3dci h ALA 67 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3dci h ALA 67 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dci h ALA 67 CO -0.01 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.82 3dci h ARG 68 N 0.77 0.60 -0.09 0.00 -0.00 -1.87 -2.36 114.38 111.44 3dci h ARG 68 Ca 0.10 -0.21 -0.11 0.00 -0.50 0.00 0.00 59.98 59.25 3dci h ARG 68 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.72 3dci h ARG 68 CO 0.07 0.76 -0.44 0.00 0.00 0.00 0.00 179.97 180.35 3dci h ALA 69 N 0.82 1.09 -0.52 0.04 0.00 -1.46 -2.88 119.26 116.36 3dci h ALA 69 Ca 0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3dci h ALA 69 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dci h ALA 69 CO 0.02 0.61 0.15 1.25 0.00 0.00 0.00 179.25 181.28 3dci h LEU 70 N 0.17 0.78 -0.69 0.00 5.85 -0.61 -0.21 115.31 120.58 3dci h LEU 70 Ca 0.01 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3dci h LEU 70 Cb 0.85 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3dci h LEU 70 CO 0.07 0.79 0.41 -0.33 -0.34 0.00 0.00 178.44 179.03 3dci h GLU 71 N 0.72 0.74 -0.47 1.25 5.08 -1.30 0.11 114.58 120.72 3dci h GLU 71 Ca 0.17 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3dci h GLU 71 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3dci h GLU 71 CO -0.00 0.49 0.06 0.28 -1.00 0.00 0.00 179.01 178.84 3dci h VAL 72 N 0.76 1.25 -0.57 3.13 2.07 -1.28 -2.14 116.25 119.47 3dci h VAL 72 Ca 0.30 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3dci h VAL 72 Cb 0.14 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3dci h VAL 72 CO -0.16 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.12 3dci h ALA 73 N 0.95 0.73 -0.62 1.67 0.00 -0.53 0.35 119.26 121.80 3dci h ALA 73 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3dci h ALA 73 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3dci h ALA 73 CO 0.01 0.11 0.32 -0.07 0.00 0.00 0.00 179.25 179.62 3dci h LEU 74 N 0.72 0.79 -0.52 0.00 3.38 -0.69 -1.97 115.31 117.03 3dci h LEU 74 Ca 0.22 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 3dci h LEU 74 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dci h LEU 74 CO -0.07 0.68 -0.28 -1.28 0.09 0.00 0.00 178.44 177.57 3dci h SER 75 N 0.84 0.94 0.24 -0.43 0.87 -1.08 -3.10 113.55 111.84 3dci h SER 75 Ca 0.22 -0.38 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 3dci h SER 75 Cb 0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3dci h SER 75 CO -0.03 1.15 -0.35 0.00 -0.53 0.00 0.00 176.83 177.07 3dci s HIS 77 N -4.25 3.65 0.20 0.00 3.76 -0.75 -5.09 115.29 112.81 3dci s HIS 77 Ca -0.04 -3.20 -0.30 0.00 -0.15 0.00 0.00 55.06 51.37 3dci s HIS 77 Cb 0.14 -2.93 -0.16 0.00 1.11 0.00 0.00 32.58 30.74 3dci s HIS 77 CO 0.75 -0.64 0.83 -0.35 -0.85 0.00 0.00 174.74 174.48 3dci n PRO 79 N 2.24 0.57 -5.01 8.40 -0.04 -1.26 -5.01 135.00 134.89 3dci n PRO 79 Ca 0.19 0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 63.54 3dci n PRO 79 Cb 0.36 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 3dci n PRO 79 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dci s LEU 80 N 1.58 2.30 -0.04 1.53 1.43 -1.26 -4.83 118.68 119.38 3dci s LEU 80 Ca 0.67 -0.45 0.13 0.00 -1.03 0.00 0.00 54.13 53.45 3dci s LEU 80 Cb -0.89 -1.39 -0.23 0.00 0.03 0.00 0.00 46.19 43.70 3dci s LEU 80 CO 0.56 0.30 0.66 0.47 0.23 0.00 0.00 176.35 178.57 3dci n ASP 81 N 2.07 0.86 -3.75 2.29 8.00 -0.01 -3.84 116.55 122.18 3dci n ASP 81 Ca -0.16 0.41 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 3dci n ASP 81 Cb 0.52 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 3dci n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dci s LEU 82 N -6.08 0.58 -0.12 0.64 2.96 -1.05 -1.36 118.68 114.25 3dci s LEU 82 Ca -0.05 0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3dci s LEU 82 Cb 0.08 1.15 -0.02 0.00 0.50 0.00 0.00 46.19 47.90 3dci s LEU 82 CO 0.83 -0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.93 3dci s VAL 83 N 0.43 3.28 -0.14 1.68 1.01 -0.06 -1.04 120.40 125.56 3dci s VAL 83 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3dci s VAL 83 Cb -0.04 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3dci s VAL 83 CO -0.02 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.85 3dci s ILE 84 N 0.13 2.92 0.47 2.22 1.01 0.59 -1.07 121.20 127.47 3dci s ILE 84 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.92 3dci s ILE 84 Cb -0.15 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3dci s ILE 84 CO 0.04 0.51 0.05 -0.38 0.00 0.00 0.00 174.94 175.17 3dci n ILE 85 N 3.79 0.00 0.00 2.92 5.41 -0.53 -0.72 119.36 130.23 3dci n ILE 85 Ca -0.18 -2.38 0.00 0.00 1.00 0.00 0.00 62.75 61.19 3dci n ILE 85 Cb 0.52 0.61 0.00 0.00 -0.71 0.00 0.00 39.64 40.07 3dci n ILE 85 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3dci n LEU 87 N 0.00 0.00 0.00 1.39 4.77 -1.25 -0.80 117.00 121.11 3dci n LEU 87 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3dci n LEU 87 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3dci n LEU 87 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3dci n GLY 88 N -1.34 1.35 0.36 -0.72 0.00 -1.26 -4.59 105.19 98.99 3dci n GLY 88 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3dci n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dci h THR 89 N 0.00 0.95 0.00 2.61 2.02 -1.97 -2.22 112.91 114.30 3dci h THR 89 Ca 0.00 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3dci h THR 89 Cb 0.00 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 3dci h THR 89 CO 0.00 0.15 -0.88 0.78 0.37 0.00 0.00 175.52 175.94 3dci h ASN 90 N 0.81 0.00 0.89 4.18 2.35 -1.92 -3.32 115.58 118.56 3dci h ASN 90 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3dci h ASN 90 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3dci h ASN 90 CO -0.17 0.39 -0.03 0.44 -1.65 0.00 0.00 177.43 176.42 3dci h ASP 91 N 0.00 0.00 -0.24 5.81 5.19 -1.71 -2.18 116.42 123.30 3dci h ASP 91 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3dci h ASP 91 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3dci h ASP 91 CO 0.04 0.03 0.00 2.30 -3.12 0.00 0.00 179.24 178.49 3dci n ILE 92 N -3.14 0.30 -1.72 0.35 -5.35 -1.03 -4.35 119.36 104.42 3dci n ILE 92 Ca 0.00 -0.51 -0.37 0.00 -0.27 0.00 0.00 62.75 61.60 3dci n ILE 92 Cb 0.29 0.70 0.07 0.00 -1.74 0.00 0.00 39.64 38.96 3dci n ILE 92 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3dci n LYS 93 N 0.86 1.18 -0.34 6.28 5.02 -0.82 -4.02 118.16 126.33 3dci n LYS 93 Ca 0.17 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 57.04 3dci n LYS 93 Cb 0.46 -2.52 0.33 0.00 -0.02 0.00 0.00 35.03 33.28 3dci n LYS 93 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3dci h PRO 94 N 0.65 0.75 -0.00 1.97 0.11 -1.80 -1.92 132.00 131.76 3dci h PRO 94 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3dci h PRO 94 Cb 1.34 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dci h PRO 94 CO 0.53 0.50 0.00 -0.24 -0.21 0.00 0.00 178.00 178.58 3dci h VAL 95 N 0.78 0.97 -0.68 3.15 3.04 -1.93 -0.92 116.25 120.66 3dci h VAL 95 Ca 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.23 3dci h VAL 95 Cb 0.82 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3dci h VAL 95 CO -0.32 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.65 3dci n HIS 96 N -4.49 0.90 0.00 3.17 8.25 -0.78 -4.93 115.22 117.34 3dci n HIS 96 Ca -0.03 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 3dci n HIS 96 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3dci n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dci n GLY 97 N 1.63 2.07 2.03 -1.41 0.00 -0.35 -4.74 105.19 104.42 3dci n GLY 97 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3dci n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dci n GLY 98 N 0.00 0.66 3.18 -0.02 0.00 -0.85 -4.91 105.19 103.24 3dci n GLY 98 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3dci n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dci s ARG 99 N -0.11 0.89 0.43 1.61 0.52 -1.26 -4.71 118.95 116.32 3dci s ARG 99 Ca 0.00 -1.38 0.22 0.00 -0.52 0.00 0.00 55.73 54.05 3dci s ARG 99 Cb 0.00 -0.12 0.91 0.00 0.52 0.00 0.00 34.95 36.26 3dci s ARG 99 CO 0.00 -0.09 1.83 0.00 0.02 0.00 0.00 175.30 177.07 3dci h ALA 100 N 2.91 1.07 -0.50 2.13 0.00 -1.91 -3.27 119.26 119.69 3dci h ALA 100 Ca -0.35 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.40 3dci h ALA 100 Cb 1.18 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 3dci h ALA 100 CO 0.64 0.33 0.09 0.93 0.00 0.00 0.00 179.25 181.25 3dci h GLU 101 N 0.00 0.22 -0.46 0.00 3.07 -1.96 -0.50 114.58 114.96 3dci h GLU 101 Ca -0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3dci h GLU 101 Cb 0.73 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 3dci h GLU 101 CO 0.03 0.15 0.16 0.00 -1.40 0.00 0.00 179.01 177.95 3dci h ALA 102 N 1.39 1.42 -0.15 3.43 0.00 -1.89 -1.56 119.26 121.90 3dci h ALA 102 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3dci h ALA 102 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dci h ALA 102 CO -0.33 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.26 3dci h ALA 103 N 1.52 0.22 -0.54 0.00 0.00 -1.30 -1.69 119.26 117.47 3dci h ALA 103 Ca 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3dci h ALA 103 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dci h ALA 103 CO -0.01 0.04 0.14 -0.24 0.00 0.00 0.00 179.25 179.18 3dci h VAL 104 N -0.01 1.24 -0.71 0.00 3.04 -1.08 -2.91 116.25 115.82 3dci h VAL 104 Ca 0.03 -0.86 0.06 0.00 -1.01 0.00 0.00 66.70 64.92 3dci h VAL 104 Cb 0.58 0.77 -0.06 0.00 -2.01 0.00 0.00 31.29 30.57 3dci h VAL 104 CO 0.03 0.31 0.41 0.28 -1.01 0.00 0.00 177.57 177.59 3dci h SER 105 N 0.76 0.63 0.00 3.17 0.02 -1.32 -0.43 113.55 116.37 3dci h SER 105 Ca 0.17 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3dci h SER 105 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3dci h SER 105 CO 0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 3dci n GLY 106 N -1.30 0.83 1.48 -3.77 0.00 -0.64 -1.82 105.19 99.98 3dci n GLY 106 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dci n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dci n ARG 108 N 0.70 0.00 -0.24 1.61 0.63 -0.17 -1.08 116.66 118.12 3dci n ARG 108 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3dci n ARG 108 Cb 0.20 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.15 3dci n ARG 108 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3dci h ARG 109 N 0.00 0.91 -0.75 -0.14 9.65 -1.62 -1.61 114.38 120.82 3dci h ARG 109 Ca 0.00 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 3dci h ARG 109 Cb 0.00 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 3dci h ARG 109 CO 0.00 0.68 0.23 -0.07 2.80 0.00 0.00 179.97 183.61 3dci h LEU 110 N 0.90 1.09 -0.41 3.80 3.38 -1.40 -1.18 115.31 121.49 3dci h LEU 110 Ca 0.23 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3dci h LEU 110 Cb 0.03 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3dci h LEU 110 CO -0.04 1.01 0.14 0.00 0.09 0.00 0.00 178.44 179.64 3dci h ALA 111 N 1.12 0.48 -0.91 1.53 0.00 -1.77 -0.73 119.26 118.99 3dci h ALA 111 Ca 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3dci h ALA 111 Cb 0.31 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3dci h ALA 111 CO -0.01 -0.25 0.50 1.96 0.00 0.00 0.00 179.25 181.46 3dci h GLN 112 N 0.30 1.26 -0.17 0.00 4.20 -0.84 -0.79 115.11 119.08 3dci h GLN 112 Ca 0.19 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3dci h GLN 112 Cb 0.17 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3dci h GLN 112 CO -0.19 0.92 0.09 0.82 -0.67 0.00 0.00 178.83 179.80 3dci h ILE 113 N 1.27 1.02 -0.39 2.54 2.04 -0.82 -1.16 117.51 122.00 3dci h ILE 113 Ca 0.32 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3dci h ILE 113 Cb 0.02 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3dci h ILE 113 CO -0.05 0.04 0.25 0.58 0.00 0.00 0.00 178.15 178.96 3dci h VAL 114 N 0.20 1.08 -0.82 1.67 2.07 -0.71 -1.12 116.25 118.62 3dci h VAL 114 Ca 0.06 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3dci h VAL 114 Cb -0.00 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3dci h VAL 114 CO -0.03 0.09 0.51 -0.33 0.02 0.00 0.00 177.57 177.83 3dci h GLU 115 N 0.51 1.11 -0.05 1.57 5.08 -0.98 -3.32 114.58 118.50 3dci h GLU 115 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dci h GLU 115 Cb -0.04 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3dci h GLU 115 CO -0.04 0.77 0.00 0.25 -1.00 0.00 0.00 179.01 178.99 3dci n THR 116 N -4.47 0.08 -1.60 1.13 -2.24 -0.46 -5.02 114.28 101.72 3dci n THR 116 Ca 0.08 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 3dci n THR 116 Cb 0.05 1.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.55 3dci n THR 116 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3dci n PHE 117 N 0.73 0.83 -2.76 4.78 7.35 -0.44 -4.90 117.46 123.05 3dci n PHE 117 Ca 0.08 0.43 -0.42 0.00 -0.76 0.00 0.00 57.45 56.77 3dci n PHE 117 Cb 0.34 -2.13 -0.03 0.00 0.35 0.00 0.00 39.48 38.00 3dci n PHE 117 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3dci s ILE 118 N -1.55 4.27 0.40 -2.13 -1.09 -1.26 -5.00 121.20 114.84 3dci s ILE 118 Ca 0.77 -0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 3dci s ILE 118 Cb -0.40 -4.85 -0.07 0.00 -1.58 0.00 0.00 42.46 35.56 3dci s ILE 118 CO 0.46 -1.66 0.77 -0.31 -1.23 0.00 0.00 174.94 172.97 3dci s TYR 119 N 4.06 3.46 -0.33 3.97 2.02 -1.26 -5.02 117.35 124.26 3dci s TYR 119 Ca 0.34 1.06 -0.02 0.00 -0.37 0.00 0.00 57.07 58.08 3dci s TYR 119 Cb -0.07 -2.45 0.06 0.00 -0.40 0.00 0.00 41.96 39.10 3dci s TYR 119 CO -0.02 -0.09 0.05 0.15 -1.57 0.00 0.00 175.55 174.07 3dci s LYS 120 N -3.78 2.31 0.76 -0.62 1.02 -1.26 -2.00 119.74 116.18 3dci s LYS 120 Ca 0.52 -1.40 -0.12 0.00 0.02 0.00 0.00 55.97 54.99 3dci s LYS 120 Cb -0.10 -3.28 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3dci s LYS 120 CO 0.30 -0.73 1.12 -1.25 -0.92 0.00 0.00 175.35 173.87 3dci s PRO 121 N 1.22 2.40 0.54 -1.68 0.04 -1.26 -4.25 135.00 132.01 3dci s PRO 121 Ca -0.02 0.40 0.21 0.00 0.04 0.00 0.00 61.00 61.63 3dci s PRO 121 Cb -0.20 -1.98 1.44 0.00 0.04 0.00 0.00 34.50 33.80 3dci s PRO 121 CO -0.02 -1.34 2.17 0.00 0.04 0.00 0.00 177.00 177.85 3dci h ARG 122 N -0.88 0.00 0.00 4.56 2.47 -1.80 -1.57 114.38 117.16 3dci h ARG 122 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3dci h ARG 122 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3dci h ARG 122 CO 0.63 0.02 0.00 0.93 0.56 0.00 0.00 179.97 182.11 3dci h GLU 123 N 0.00 0.00 -2.79 0.04 3.07 -1.97 -3.39 114.58 109.55 3dci h GLU 123 Ca -0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3dci h GLU 123 Cb 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3dci h GLU 123 CO 0.00 0.00 2.40 0.00 -1.40 0.00 0.00 179.01 180.01 3dci n ALA 124 N -1.85 6.63 -2.65 3.43 0.00 -0.59 -4.92 120.51 120.56 3dci n ALA 124 Ca 0.03 -2.72 -0.42 0.00 0.00 0.00 0.00 53.44 50.33 3dci n ALA 124 Cb 0.33 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 16.74 3dci n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dci s VAL 125 N 2.05 4.82 0.67 0.00 1.01 -1.26 -4.51 120.40 123.18 3dci s VAL 125 Ca 0.63 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 64.15 3dci s VAL 125 Cb 0.20 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3dci s VAL 125 CO -0.04 -0.07 1.06 -2.84 0.00 0.00 0.00 175.10 173.21 3dci s PRO 126 N 2.76 3.00 0.82 2.72 0.02 -1.25 -4.96 135.00 138.11 3dci s PRO 126 Ca 0.37 1.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 3dci s PRO 126 Cb -0.15 -2.00 0.08 0.00 0.02 0.00 0.00 34.50 32.45 3dci s PRO 126 CO 0.08 -1.06 1.10 0.15 -0.33 0.00 0.00 177.00 176.95 3dci s LYS 127 N -4.74 1.88 -0.03 5.54 1.02 -0.46 -4.86 119.74 118.09 3dci s LYS 127 Ca 0.60 0.60 0.02 0.00 0.02 0.00 0.00 55.97 57.21 3dci s LYS 127 Cb -0.15 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3dci s LYS 127 CO 0.50 -1.75 -0.08 -1.17 -0.92 0.00 0.00 175.35 171.93 3dci s LEU 128 N -5.85 1.67 -0.21 3.17 2.96 -1.26 -0.88 118.68 118.28 3dci s LEU 128 Ca 0.61 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3dci s LEU 128 Cb -0.15 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.05 3dci s LEU 128 CO 0.54 0.03 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.24 3dci s LEU 129 N 0.40 2.60 -0.22 -0.68 2.96 -0.23 -2.37 118.68 121.14 3dci s LEU 129 Ca -0.06 -0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 52.70 3dci s LEU 129 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3dci s LEU 129 CO 0.01 -0.10 0.54 -0.63 -1.32 0.00 0.00 176.35 174.85 3dci s ILE 130 N 1.25 5.07 -0.19 6.68 1.01 -0.24 -1.45 121.20 133.34 3dci s ILE 130 Ca -0.01 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 3dci s ILE 130 Cb -0.16 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3dci s ILE 130 CO -0.09 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.16 3dci s VAL 131 N 1.93 2.75 0.02 2.92 1.01 0.02 -1.40 120.40 127.65 3dci s VAL 131 Ca 0.24 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3dci s VAL 131 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3dci s VAL 131 CO 0.09 0.49 0.93 0.00 0.00 0.00 0.00 175.10 176.61 3dci s ALA 132 N 1.20 3.21 0.66 5.51 0.00 -0.49 -3.90 121.76 127.95 3dci s ALA 132 Ca 0.02 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 3dci s ALA 132 Cb -0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3dci s ALA 132 CO -0.05 -0.16 1.07 -1.25 0.00 0.00 0.00 175.76 175.37 3dci s PRO 133 N 0.72 2.95 0.43 0.00 0.04 -1.26 -1.14 135.00 136.74 3dci s PRO 133 Ca 0.48 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 3dci s PRO 133 Cb -0.21 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3dci s PRO 133 CO 0.27 -1.10 1.40 -2.14 0.04 0.00 0.00 177.00 175.47 3dci s PRO 134 N -4.48 3.81 0.75 0.56 0.02 -1.26 -4.39 135.00 130.02 3dci s PRO 134 Ca 0.62 2.37 -0.14 0.00 0.02 0.00 0.00 61.00 63.88 3dci s PRO 134 Cb -0.16 -2.72 0.05 0.00 0.02 0.00 0.00 34.50 31.68 3dci s PRO 134 CO 0.46 -0.70 1.16 -1.25 -0.33 0.00 0.00 177.00 176.34 3dci s PRO 135 N -2.35 2.12 0.74 5.54 0.04 -1.26 -4.78 135.00 135.05 3dci s PRO 135 Ca 0.59 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 3dci s PRO 135 Cb -0.43 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3dci s PRO 135 CO 0.55 -1.81 1.14 0.00 0.04 0.00 0.00 177.00 176.92 3dci s VAL 137 N -2.39 0.53 0.01 0.00 -7.23 -0.07 -4.81 120.40 106.44 3dci s VAL 137 Ca 0.68 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 3dci s VAL 137 Cb -0.23 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3dci s VAL 137 CO 0.48 0.00 2.00 0.00 -0.31 0.00 0.00 175.10 177.27 3dci n ALA 138 N -0.65 1.59 -1.40 1.32 0.00 -1.26 -3.55 120.51 116.56 3dci n ALA 138 Ca -0.01 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 3dci n ALA 138 Cb 0.65 -2.70 0.15 0.00 0.00 0.00 0.00 19.45 17.55 3dci n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dci n GLY 139 N 4.67 -1.90 0.30 0.00 0.00 -0.47 -4.44 105.19 103.35 3dci n GLY 139 Ca 0.21 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3dci n GLY 139 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dci h PRO 140 N 0.00 0.57 0.00 1.61 0.11 -1.77 -1.57 132.00 130.96 3dci h PRO 140 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3dci h PRO 140 Cb 0.83 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3dci h PRO 140 CO 0.20 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 3dci n GLY 141 N -1.32 -0.83 0.00 -0.55 0.00 -1.26 -4.83 105.19 96.40 3dci n GLY 141 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3dci n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dci n GLY 142 N 0.42 0.43 3.11 -0.02 0.00 -0.59 -5.08 105.19 103.45 3dci n GLY 142 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3dci n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dci s GLU 143 N -0.77 0.67 0.75 1.61 2.02 -1.25 -4.64 118.70 117.09 3dci s GLU 143 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 54.97 53.62 3dci s GLU 143 Cb 0.00 0.15 0.05 0.00 0.10 0.00 0.00 34.13 34.42 3dci s GLU 143 CO 0.00 -0.10 1.10 -2.14 0.02 0.00 0.00 175.26 174.14 3dci s PRO 144 N -3.91 2.32 0.62 0.39 0.02 -1.23 -1.37 135.00 131.84 3dci s PRO 144 Ca 0.09 1.26 -0.18 0.00 0.02 0.00 0.00 61.00 62.18 3dci s PRO 144 Cb 0.08 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 3dci s PRO 144 CO -0.08 -1.60 1.26 0.00 -0.33 0.00 0.00 177.00 176.24 3dci s ALA 145 N -2.73 2.46 -0.09 -1.55 0.00 -0.49 -3.77 121.76 115.59 3dci s ALA 145 Ca 0.63 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3dci s ALA 145 Cb -0.19 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3dci s ALA 145 CO 0.52 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3dci n GLY 146 N 0.72 0.47 2.47 0.00 0.00 -1.26 -3.39 105.19 104.19 3dci n GLY 146 Ca 0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 3dci n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dci n GLY 147 N -2.84 0.72 3.78 -0.02 0.00 -1.25 -4.34 105.19 101.24 3dci n GLY 147 Ca -0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3dci n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dci s ARG 148 N -2.00 3.61 -0.19 1.61 0.52 -1.22 -4.56 118.95 116.71 3dci s ARG 148 Ca 0.00 1.51 -0.08 0.00 -0.52 0.00 0.00 55.73 56.65 3dci s ARG 148 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3dci s ARG 148 CO 0.00 -0.62 0.08 0.34 0.02 0.00 0.00 175.30 175.11 3dci s ASP 149 N -1.82 5.68 0.11 0.23 2.15 -1.26 -4.28 116.67 117.48 3dci s ASP 149 Ca 0.69 0.07 -0.20 0.00 0.43 0.00 0.00 52.55 53.54 3dci s ASP 149 Cb -0.21 -1.98 -0.08 0.00 -0.30 0.00 0.00 42.92 40.34 3dci s ASP 149 CO 0.24 0.15 1.75 0.40 -0.17 0.00 0.00 175.17 177.54 3dci h ILE 150 N 4.92 1.06 -0.87 4.11 2.04 -1.95 -2.40 117.51 124.42 3dci h ILE 150 Ca -0.37 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3dci h ILE 150 Cb 1.17 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3dci h ILE 150 CO 0.69 0.06 0.54 -0.08 0.00 0.00 0.00 178.15 179.37 3dci h GLU 151 N 0.21 0.96 -0.39 2.37 4.81 -1.95 -2.16 114.58 118.44 3dci h GLU 151 Ca 0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3dci h GLU 151 Cb 0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3dci h GLU 151 CO -0.01 0.63 -0.16 1.96 -0.73 0.00 0.00 179.01 180.70 3dci h GLN 152 N 0.98 0.79 -1.99 1.92 1.08 -1.86 -3.08 115.11 112.94 3dci h GLN 152 Ca 0.38 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3dci h GLN 152 Cb 0.19 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3dci h GLN 152 CO -0.18 0.95 0.00 -1.13 -0.95 0.00 0.00 178.83 177.52 3dci n SER 153 N -4.29 0.00 0.00 1.46 3.41 -0.81 -3.72 113.62 109.67 3dci n SER 153 Ca -0.02 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 3dci n SER 153 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3dci n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dci n ARG 155 N 1.58 0.00 -0.17 4.33 1.74 -1.17 -4.48 116.66 118.49 3dci n ARG 155 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3dci n ARG 155 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3dci n ARG 155 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dci h LEU 156 N 0.00 0.80 0.78 0.55 3.38 -1.90 -2.19 115.31 116.73 3dci h LEU 156 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3dci h LEU 156 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3dci h LEU 156 CO 0.00 0.87 -0.50 0.00 0.09 0.00 0.00 178.44 178.91 3dci h ALA 157 N 0.95 -1.27 -0.34 1.53 0.00 -1.91 0.14 119.26 118.37 3dci h ALA 157 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dci h ALA 157 Cb 0.43 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3dci h ALA 157 CO 0.01 -1.23 0.01 -1.00 0.00 0.00 0.00 179.25 177.05 3dci h PRO 158 N -1.21 0.52 -0.30 0.00 0.13 -1.97 0.95 132.00 130.12 3dci h PRO 158 Ca -0.10 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3dci h PRO 158 Cb 0.97 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 3dci h PRO 158 CO 0.10 0.53 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.00 3dci h LEU 159 N 0.50 0.81 -0.68 1.56 3.38 -1.30 -2.14 115.31 117.43 3dci h LEU 159 Ca 0.11 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 3dci h LEU 159 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dci h LEU 159 CO 0.01 1.13 -0.22 1.88 0.09 0.00 0.00 178.44 181.33 3dci h TYR 160 N 0.51 0.90 -0.29 1.13 -1.99 -0.44 -0.75 116.97 116.04 3dci h TYR 160 Ca 0.04 -0.20 0.03 0.00 2.00 0.00 0.00 58.73 60.60 3dci h TYR 160 Cb 0.91 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 3dci h TYR 160 CO 0.07 0.93 0.11 -0.09 -0.00 0.00 0.00 178.16 179.18 3dci h ARG 161 N 0.69 0.23 -0.38 4.88 2.43 -0.80 -0.25 114.38 121.18 3dci h ARG 161 Ca 0.10 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 3dci h ARG 161 Cb 0.73 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3dci h ARG 161 CO 0.06 0.15 -0.23 0.87 -1.51 0.00 0.00 179.97 179.31 3dci h LYS 162 N 0.24 0.76 -0.37 0.20 1.57 -1.22 -1.70 116.57 116.04 3dci h LYS 162 Ca 0.13 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3dci h LYS 162 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3dci h LYS 162 CO -0.12 0.91 0.14 1.25 -0.57 0.00 0.00 179.45 181.06 3dci h LEU 163 N 0.66 0.52 -0.67 2.94 5.85 -0.92 -1.09 115.31 122.60 3dci h LEU 163 Ca 0.09 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3dci h LEU 163 Cb 0.73 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3dci h LEU 163 CO 0.06 0.56 0.41 0.00 -0.34 0.00 0.00 178.44 179.13 3dci h ALA 164 N 0.99 0.85 -0.39 1.25 0.00 -0.84 -1.23 119.26 119.89 3dci h ALA 164 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dci h ALA 164 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dci h ALA 164 CO -0.01 0.32 0.21 0.00 0.00 0.00 0.00 179.25 179.77 3dci h ALA 165 N 1.22 0.50 -0.59 0.00 0.00 -1.17 -0.54 119.26 118.67 3dci h ALA 165 Ca 0.24 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dci h ALA 165 Cb -0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3dci h ALA 165 CO -0.05 0.03 0.33 1.49 0.00 0.00 0.00 179.25 181.05 3dci h GLU 166 N 0.50 0.61 -0.00 0.00 4.81 -0.85 -3.03 114.58 116.62 3dci h GLU 166 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3dci h GLU 166 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3dci h GLU 166 CO -0.02 0.40 -0.36 1.28 -0.73 0.00 0.00 179.01 179.58 3dci n LEU 167 N -4.81 0.43 -0.97 1.64 4.77 -0.50 -4.95 117.00 112.61 3dci n LEU 167 Ca 0.06 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 3dci n LEU 167 Cb 0.14 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3dci n LEU 167 CO 0.30 0.10 0.03 0.61 -1.33 0.00 0.00 177.39 177.10 3dci n GLY 168 N 1.48 0.62 3.67 -0.72 0.00 -0.33 -5.07 105.19 104.83 3dci n GLY 168 Ca 0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3dci n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dci s HIS 169 N -2.94 2.03 0.33 1.61 3.76 -0.49 -5.01 115.29 114.58 3dci s HIS 169 Ca 0.09 -0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 54.06 3dci s HIS 169 Cb -0.04 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 3dci s HIS 169 CO 0.11 0.20 0.56 -1.01 -0.85 0.00 0.00 174.74 173.75 3dci s HIS 170 N -2.91 3.50 0.00 1.40 3.76 -1.00 -4.33 115.29 115.71 3dci s HIS 170 Ca 0.18 0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.60 3dci s HIS 170 Cb 0.04 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 3dci s HIS 170 CO 0.09 0.13 -0.06 0.12 -0.85 0.00 0.00 174.74 174.17 3dci s PHE 171 N -2.23 0.52 -0.01 1.40 5.36 -1.26 -1.08 117.98 120.67 3dci s PHE 171 Ca 0.42 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 3dci s PHE 171 Cb -0.10 -0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 3dci s PHE 171 CO 0.34 -0.02 -0.03 0.12 -1.46 0.00 0.00 175.22 174.17 3dci s PHE 172 N -0.34 0.37 -0.56 10.12 5.36 -0.49 -4.94 117.98 127.50 3dci s PHE 172 Ca 0.00 -0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 55.71 3dci s PHE 172 Cb -0.03 -0.29 0.08 0.00 -0.34 0.00 0.00 43.02 42.44 3dci s PHE 172 CO -0.00 -0.04 0.69 0.34 -1.46 0.00 0.00 175.22 174.75 3dci s ASP 173 N 0.17 6.20 0.57 6.13 2.15 -1.26 -1.40 116.67 129.22 3dci s ASP 173 Ca -0.01 -1.18 0.29 0.00 0.43 0.00 0.00 52.55 52.07 3dci s ASP 173 Cb -0.05 -2.30 1.71 0.00 -0.30 0.00 0.00 42.92 41.98 3dci s ASP 173 CO -0.00 -1.04 2.20 0.00 -0.17 0.00 0.00 175.17 176.15 3dci h ALA 174 N 9.13 1.45 0.00 3.66 0.00 -1.43 -0.91 119.26 131.16 3dci h ALA 174 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dci h ALA 174 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dci h ALA 174 CO 1.05 0.05 0.00 0.78 0.00 0.00 0.00 179.25 181.13 3dci h GLY 175 N 0.27 0.00 2.00 0.00 0.00 -1.73 -1.83 103.07 101.78 3dci h GLY 175 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dci h GLY 175 CO 0.01 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.03 3dci h SER 176 N 0.00 0.00 0.00 0.19 4.64 -1.54 -3.33 113.55 113.52 3dci h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dci h SER 176 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3dci h SER 176 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3dci n VAL 177 N -2.55 0.00 -3.81 0.95 0.24 -0.99 -5.08 118.33 107.08 3dci n VAL 177 Ca 0.03 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 3dci n VAL 177 Cb 0.36 1.07 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 3dci n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dci s ALA 178 N -0.55 -0.56 0.03 2.33 0.00 -0.72 -4.80 121.76 117.50 3dci s ALA 178 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.34 3dci s ALA 178 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3dci s ALA 178 CO 0.00 -0.19 -0.26 -1.12 0.00 0.00 0.00 175.76 174.19 3dci s SER 179 N -0.83 3.11 0.53 0.00 0.01 -1.26 -4.21 113.70 111.04 3dci s SER 179 Ca -0.09 -0.56 -0.20 0.00 1.31 0.00 0.00 55.95 56.40 3dci s SER 179 Cb -0.05 -0.29 -0.08 0.00 0.21 0.00 0.00 66.02 65.81 3dci s SER 179 CO 0.02 0.27 0.84 0.00 0.41 0.00 0.00 173.24 174.77 3dci n ALA 180 N 1.90 -0.26 -1.76 1.44 0.00 -1.26 -4.77 120.51 115.82 3dci n ALA 180 Ca -0.17 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 3dci n ALA 180 Cb 0.52 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 3dci n ALA 180 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dci s SER 181 N -1.05 7.41 0.00 0.00 0.15 0.66 -4.88 113.70 115.99 3dci s SER 181 Ca 0.69 2.15 0.21 0.00 0.70 0.00 0.00 55.95 59.70 3dci s SER 181 Cb -0.48 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.13 3dci s SER 181 CO 0.53 -0.03 1.66 -0.81 1.20 0.00 0.00 173.24 175.78 3dci n PRO 182 N 1.29 0.07 -0.35 5.44 -0.04 -1.26 0.31 135.00 140.47 3dci n PRO 182 Ca -0.01 0.13 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3dci n PRO 182 Cb 0.46 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 3dci n PRO 182 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dci h VAL 183 N 0.00 1.05 0.00 0.52 2.07 -1.92 -3.30 116.25 114.67 3dci h VAL 183 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3dci h VAL 183 Cb 0.32 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3dci h VAL 183 CO 0.00 0.20 0.00 -0.90 0.02 0.00 0.00 177.57 176.89 3dci n ASP 184 N -4.55 0.31 0.00 0.57 5.68 -1.21 -4.46 116.55 112.89 3dci n ASP 184 Ca 0.15 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 3dci n ASP 184 Cb 0.20 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3dci n ASP 184 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dci n GLY 185 N 0.04 0.73 1.54 6.12 0.00 0.15 -1.39 105.19 112.37 3dci n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dci n GLY 185 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dci n VAL 186 N -2.09 0.02 -2.35 1.61 0.31 -1.24 -0.89 118.33 113.70 3dci n VAL 186 Ca 0.00 0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 3dci n VAL 186 Cb 0.01 -0.97 0.09 0.00 -0.91 0.00 0.00 33.84 32.07 3dci n VAL 186 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3dci s HIS 187 N -2.00 2.37 -0.08 3.52 3.76 -1.26 -4.69 115.29 116.90 3dci s HIS 187 Ca 0.00 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 3dci s HIS 187 Cb 0.00 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.49 3dci s HIS 187 CO 0.00 -1.56 -0.13 -0.51 -0.85 0.00 0.00 174.74 171.69 3dci s LEU 188 N -5.21 2.77 1.08 0.89 1.43 -1.26 -0.24 118.68 118.13 3dci s LEU 188 Ca 0.63 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 3dci s LEU 188 Cb -0.08 -1.59 0.23 0.00 0.03 0.00 0.00 46.19 44.78 3dci s LEU 188 CO 0.45 0.27 1.12 1.51 0.23 0.00 0.00 176.35 179.93 3dci s ASP 189 N -0.29 1.96 0.21 2.29 1.47 -1.26 -4.35 116.67 116.71 3dci s ASP 189 Ca 0.02 0.84 -0.09 0.00 1.18 0.00 0.00 52.55 54.50 3dci s ASP 189 Cb -0.13 -1.26 0.17 0.00 -0.34 0.00 0.00 42.92 41.36 3dci s ASP 189 CO 0.03 -3.50 1.86 0.00 0.68 0.00 0.00 175.17 174.23 3dci h ALA 190 N -2.15 1.01 -0.26 2.11 0.00 -1.94 -1.56 119.26 116.48 3dci h ALA 190 Ca -0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3dci h ALA 190 Cb 1.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3dci h ALA 190 CO 0.47 0.48 0.16 0.77 0.00 0.00 0.00 179.25 181.12 3dci h SER 191 N 1.09 0.31 0.00 0.00 0.02 -1.92 -0.63 113.55 112.42 3dci h SER 191 Ca 0.29 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3dci h SER 191 Cb -0.04 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3dci h SER 191 CO -0.05 0.26 -0.36 0.00 -1.14 0.00 0.00 176.83 175.54 3dci h ALA 192 N 1.06 0.97 -0.08 3.77 0.00 -1.89 -1.40 119.26 121.68 3dci h ALA 192 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3dci h ALA 192 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dci h ALA 192 CO -0.02 0.61 0.02 1.15 0.00 0.00 0.00 179.25 181.02 3dci h THR 193 N 0.41 1.18 -0.26 0.00 2.02 -1.02 -2.67 112.91 112.56 3dci h THR 193 Ca 0.04 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3dci h THR 193 Cb 0.82 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3dci h THR 193 CO 0.07 0.15 -0.12 0.00 0.37 0.00 0.00 175.52 176.00 3dci h ALA 194 N 0.82 1.31 0.00 6.16 0.00 -0.90 -2.30 119.26 124.36 3dci h ALA 194 Ca 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3dci h ALA 194 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dci h ALA 194 CO -0.00 0.46 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 3dci h ALA 195 N 1.48 1.59 -0.20 0.00 0.00 -1.14 -1.36 119.26 119.63 3dci h ALA 195 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3dci h ALA 195 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dci h ALA 195 CO 0.03 0.29 -0.06 0.82 0.00 0.00 0.00 179.25 180.32 3dci h ILE 196 N 0.00 1.29 -0.83 0.00 2.04 -1.07 -1.44 117.51 117.51 3dci h ILE 196 Ca -0.00 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3dci h ILE 196 Cb 0.42 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3dci h ILE 196 CO 0.03 0.32 0.39 1.23 0.00 0.00 0.00 178.15 180.12 3dci h GLY 197 N 0.11 1.28 0.93 5.37 0.00 -1.27 -1.08 103.07 108.42 3dci h GLY 197 Ca 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 3dci h GLY 197 CO 0.02 0.61 0.11 3.21 0.00 0.00 0.00 176.54 180.50 3dci h ARG 198 N 1.18 0.60 -0.15 4.80 3.08 -1.24 -3.13 114.38 119.52 3dci h ARG 198 Ca 0.28 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3dci h ARG 198 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3dci h ARG 198 CO -0.03 0.62 -0.28 0.00 -1.07 0.00 0.00 179.97 179.20 3dci h ALA 199 N 0.96 1.24 0.00 0.04 0.00 -1.00 -2.87 119.26 117.63 3dci h ALA 199 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dci h ALA 199 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dci h ALA 199 CO -0.00 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 3dci h LEU 200 N 0.25 0.00 -1.01 0.00 3.38 -1.15 -3.24 115.31 113.56 3dci h LEU 200 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dci h LEU 200 Cb 0.64 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3dci h LEU 200 CO 0.05 0.00 0.66 0.00 0.09 0.00 0.00 178.44 179.24 3dci h ALA 201 N 2.12 1.33 0.63 1.53 0.00 -1.49 -1.11 119.26 122.28 3dci h ALA 201 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dci h ALA 201 Cb 0.54 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dci h ALA 201 CO 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 3dci h ALA 202 N 1.41 -0.85 -0.80 0.00 0.00 -1.75 0.00 119.26 117.26 3dci h ALA 202 Ca 0.40 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3dci h ALA 202 Cb -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3dci h ALA 202 CO -0.12 -0.88 0.53 -1.00 0.00 0.00 0.00 179.25 177.78 3dci h PRO 203 N -1.05 0.99 -0.70 0.00 0.13 -1.74 -1.75 132.00 127.89 3dci h PRO 203 Ca -0.09 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 3dci h PRO 203 Cb 0.70 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3dci h PRO 203 CO 0.14 0.66 0.28 0.28 -0.23 0.00 0.00 178.00 179.13 3dci h VAL 204 N 1.02 1.24 -0.45 1.56 2.07 -0.97 0.61 116.25 121.33 3dci h VAL 204 Ca 0.31 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3dci h VAL 204 Cb -0.01 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3dci h VAL 204 CO -0.08 0.30 0.23 0.03 0.02 0.00 0.00 177.57 178.07 3dci h ARG 205 N 1.01 0.64 -0.92 1.57 3.08 -0.63 -0.34 114.38 118.78 3dci h ARG 205 Ca 0.23 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.24 3dci h ARG 205 Cb 0.19 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 3dci h ARG 205 CO -0.02 0.52 0.60 0.22 -1.07 0.00 0.00 179.97 180.23 3dci h ASP 206 N 0.59 1.00 -0.00 7.04 3.58 -0.41 -3.21 116.42 125.01 3dci h ASP 206 Ca 0.16 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3dci h ASP 206 Cb 0.08 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3dci h ASP 206 CO -0.02 0.68 -0.05 0.40 -2.88 0.00 0.00 179.24 177.37 3dci h ILE 207 N 1.16 1.61 0.00 2.25 2.04 -0.74 -3.51 117.51 120.31 3dci h ILE 207 Ca 0.37 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3dci h ILE 207 Cb 0.01 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3dci h ILE 207 CO -0.11 0.49 0.00 0.18 0.00 0.00 0.00 178.15 178.71