#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 1.94 -0.04 -0.18 -4.23 -1.26 -0.32 115.64 111.55 3dci s THR 3 Ca 0.00 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3dci s THR 3 Cb 0.00 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3dci s THR 3 CO 0.00 0.55 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.89 3dci s VAL 4 N -0.56 0.53 -0.20 2.29 1.01 0.13 -1.19 120.40 122.41 3dci s VAL 4 Ca 0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3dci s VAL 4 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3dci s VAL 4 CO -0.01 0.21 0.32 -0.22 0.00 0.00 0.00 175.10 175.40 3dci s LEU 5 N 0.68 4.17 -0.52 3.92 2.96 -0.19 -0.55 118.68 129.15 3dci s LEU 5 Ca -0.09 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 3dci s LEU 5 Cb -0.12 -2.39 0.13 0.00 0.50 0.00 0.00 46.19 44.31 3dci s LEU 5 CO 0.00 0.00 0.38 0.00 -1.32 0.00 0.00 176.35 175.41 3dci s ALA 6 N 1.01 3.45 -0.23 5.97 0.00 -0.26 -0.42 121.76 131.29 3dci s ALA 6 Ca 0.16 -2.72 -0.06 0.00 0.00 0.00 0.00 51.96 49.34 3dci s ALA 6 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3dci s ALA 6 CO 0.06 -1.96 0.02 0.12 0.00 0.00 0.00 175.76 174.00 3dci s PHE 7 N 1.00 3.03 0.00 0.00 5.36 -0.09 0.09 117.98 127.36 3dci s PHE 7 Ca 0.09 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 3dci s PHE 7 Cb -0.23 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 3dci s PHE 7 CO -0.02 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 173.71 3dci n GLY 8 N 4.84 2.62 0.00 13.12 0.00 -0.47 -4.18 105.19 121.12 3dci n GLY 8 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.43 0.27 1.61 5.68 -1.26 -2.11 116.55 121.18 3dci n ASP 9 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3dci n ASP 9 Cb 0.00 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 40.79 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 0.29 -1.12 4.64 -1.86 0.22 113.55 115.72 3dci h SER 10 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 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 0.00 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.68 3dci h LEU 11 N 0.00 0.00 0.14 5.97 3.38 -1.92 0.13 115.31 123.01 3dci h LEU 11 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3dci h LEU 11 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dci h LEU 11 CO 0.00 0.21 -1.88 0.74 0.09 0.00 0.00 178.44 177.61 3dci h THR 12 N 0.00 0.74 -0.80 0.22 2.02 -1.36 -3.32 112.91 110.41 3dci h THR 12 Ca -0.00 -2.38 0.09 0.00 0.77 0.00 0.00 66.41 64.89 3dci h THR 12 Cb 0.41 2.57 -0.07 0.00 -1.74 0.00 0.00 68.15 69.33 3dci h THR 12 CO 0.03 0.86 0.45 -0.25 0.37 0.00 0.00 175.52 176.97 3dci h TRP 13 N 0.02 0.81 0.00 3.16 7.01 -1.13 -3.43 115.95 122.39 3dci h TRP 13 Ca -0.40 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.63 3dci h TRP 13 Cb 2.01 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.82 3dci h TRP 13 CO 0.09 0.33 0.00 0.41 -2.79 0.00 0.00 178.44 176.48 3dci n GLY 14 N -1.32 0.63 3.68 2.65 0.00 0.35 -4.70 105.19 106.47 3dci n GLY 14 Ca 0.13 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.09 3.59 -0.21 4.61 0.00 -0.52 0.48 121.76 128.62 3dci s ALA 15 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3dci s ALA 15 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3dci s ALA 15 CO 0.00 -1.03 1.56 0.34 0.00 0.00 0.00 175.76 176.64 3dci s ASP 16 N 2.01 6.47 0.52 0.00 -1.08 0.27 -4.22 116.67 120.63 3dci s ASP 16 Ca 0.60 1.63 0.23 0.00 -0.52 0.00 0.00 52.55 54.49 3dci s ASP 16 Cb -0.27 -2.53 1.34 0.00 -1.46 0.00 0.00 42.92 40.00 3dci s ASP 16 CO 0.22 -1.18 2.01 1.55 0.52 0.00 0.00 175.17 178.28 3dci h PRO 17 N 10.31 0.04 0.00 4.34 0.13 -1.89 0.45 132.00 145.38 3dci h PRO 17 Ca -0.33 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3dci h PRO 17 Cb 1.15 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dci h PRO 17 CO 1.00 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 3dci n ALA 18 N -2.62 -0.03 0.42 -0.56 0.00 -1.26 -4.44 120.51 112.02 3dci n ALA 18 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 3dci n ALA 18 Cb 0.54 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.37 3dci n ALA 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3dci h THR 19 N 0.00 0.00 0.00 0.00 1.35 -1.96 -3.46 112.91 108.84 3dci h THR 19 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3dci h THR 19 Cb 0.00 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3dci h THR 19 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dci n GLY 20 N 0.87 1.42 3.92 5.82 0.00 0.16 -4.99 105.19 112.38 3dci n GLY 20 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 2.68 0.16 0.99 1.43 -1.26 -4.41 118.68 118.26 3dci s LEU 21 Ca 0.00 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 3dci s LEU 21 Cb 0.00 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.95 3dci s LEU 21 CO 0.00 -1.73 1.03 -0.60 0.23 0.00 0.00 176.35 175.27 3dci s ARG 22 N -5.40 4.67 0.56 1.70 3.52 -1.26 -0.57 118.95 122.17 3dci s ARG 22 Ca 0.61 1.59 -0.21 0.00 -0.13 0.00 0.00 55.73 57.58 3dci s ARG 22 Cb -0.11 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3dci s ARG 22 CO 0.47 0.19 1.35 -1.01 -0.81 0.00 0.00 175.30 175.48 3dci s HIS 23 N -0.27 2.25 0.70 5.12 3.76 0.18 -4.86 115.29 122.16 3dci s HIS 23 Ca 0.47 1.39 -0.16 0.00 -0.15 0.00 0.00 55.06 56.61 3dci s HIS 23 Cb -0.27 -3.79 -0.01 0.00 1.11 0.00 0.00 32.58 29.62 3dci s HIS 23 CO 0.33 -2.92 0.87 -2.30 -0.85 0.00 0.00 174.74 169.86 3dci n PRO 24 N -1.17 0.52 -0.07 8.40 -0.02 -1.26 -4.79 135.00 136.62 3dci n PRO 24 Ca 0.11 0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3dci n PRO 24 Cb 0.45 -2.12 0.48 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.15 0.93 0.00 -1.45 3.04 -1.97 -0.73 116.25 115.93 3dci h VAL 25 Ca -0.47 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 3dci h VAL 25 Cb 1.34 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 3dci h VAL 25 CO 0.47 0.08 0.00 -0.33 -1.01 0.00 0.00 177.57 176.78 3dci h GLU 26 N 0.44 0.00 -0.01 4.17 3.07 -1.97 -2.62 114.58 117.66 3dci h GLU 26 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3dci h GLU 26 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3dci h GLU 26 CO -0.07 0.00 -0.09 0.72 -1.40 0.00 0.00 179.01 178.17 3dci n HIS 27 N -2.80 0.00 -2.61 4.33 8.25 -0.28 -4.64 115.22 117.47 3dci n HIS 27 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3dci n HIS 27 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.17 4.70 0.26 -0.41 0.52 -0.99 -3.08 118.95 118.77 3dci s ARG 28 Ca 0.12 1.62 -0.03 0.00 -0.52 0.00 0.00 55.73 56.93 3dci s ARG 28 Cb 0.10 -3.28 0.32 0.00 0.52 0.00 0.00 34.95 32.61 3dci s ARG 28 CO 0.20 0.25 1.77 0.11 0.02 0.00 0.00 175.30 177.65 3dci h TRP 29 N 4.66 0.89 -0.73 -0.53 5.08 -1.82 -0.29 115.95 123.21 3dci h TRP 29 Ca -0.45 -0.11 -0.02 0.00 1.08 0.00 0.00 58.89 59.39 3dci h TRP 29 Cb 1.21 -0.25 -0.03 0.00 -3.00 0.00 0.00 29.16 27.08 3dci h TRP 29 CO 0.62 0.79 0.37 -1.35 -1.28 0.00 0.00 178.44 177.59 3dci h PRO 30 N 0.80 1.04 -0.40 0.12 0.11 -1.93 0.16 132.00 131.90 3dci h PRO 30 Ca 0.16 -0.14 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 3dci h PRO 30 Cb 0.40 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3dci h PRO 30 CO 0.01 0.80 -0.27 0.22 -0.21 0.00 0.00 178.00 178.55 3dci h ASP 31 N 1.01 0.93 -0.63 -2.05 3.58 -1.72 -1.68 116.42 115.86 3dci h ASP 31 Ca 0.25 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 3dci h ASP 31 Cb 0.08 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3dci h ASP 31 CO -0.04 1.16 0.34 0.58 -2.88 0.00 0.00 179.24 178.41 3dci h VAL 32 N 0.71 1.20 -0.23 2.25 2.07 -0.88 -0.29 116.25 121.09 3dci h VAL 32 Ca 0.08 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3dci h VAL 32 Cb 0.85 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3dci h VAL 32 CO 0.07 0.22 0.08 0.25 0.02 0.00 0.00 177.57 178.22 3dci h LEU 33 N 0.86 0.10 -0.53 2.57 5.85 -0.53 0.27 115.31 123.90 3dci h LEU 33 Ca 0.22 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3dci h LEU 33 Cb 0.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3dci h LEU 33 CO -0.03 0.09 0.35 -0.08 -0.34 0.00 0.00 178.44 178.42 3dci h GLU 34 N 0.20 0.71 -0.72 1.25 4.81 -1.04 -1.15 114.58 118.64 3dci h GLU 34 Ca 0.10 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3dci h GLU 34 Cb 0.06 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3dci h GLU 34 CO -0.10 0.48 0.35 0.00 -0.73 0.00 0.00 179.01 179.01 3dci h ALA 35 N 1.19 0.92 0.00 2.92 0.00 -0.83 -2.48 119.26 120.98 3dci h ALA 35 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dci h ALA 35 Cb -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dci h ALA 35 CO -0.04 0.49 -0.15 0.93 0.00 0.00 0.00 179.25 180.47 3dci h GLU 36 N 1.00 0.00 -0.01 0.00 4.39 -0.38 -1.40 114.58 118.19 3dci h GLU 36 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3dci h GLU 36 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3dci h GLU 36 CO -0.03 0.15 -0.01 1.28 -1.16 0.00 0.00 179.01 179.24 3dci n LEU 37 N -3.76 0.86 -4.01 1.33 4.77 -0.49 -4.94 117.00 110.77 3dci n LEU 37 Ca -0.02 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.40 3dci n LEU 37 Cb 0.26 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3dci n LEU 37 CO 0.32 0.14 -0.16 0.00 -1.33 0.00 0.00 177.39 176.36 3dci n ALA 38 N -0.34 -1.78 -0.23 -1.18 0.00 -0.53 -1.29 120.51 115.15 3dci n ALA 38 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3dci n ALA 38 Cb 0.25 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.82 0.87 0.15 0.00 0.00 -1.26 -4.94 105.19 98.19 3dci n GLY 39 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3dci n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dci h LYS 40 N 3.85 0.00 -5.01 1.61 1.79 -1.51 -3.46 116.57 113.84 3dci h LYS 40 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 3dci h LYS 40 Cb 0.00 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.45 3dci h LYS 40 CO 0.00 0.46 -0.75 0.00 -1.08 0.00 0.00 179.45 178.08 3dci s ALA 41 N -3.04 0.98 -0.21 3.86 0.00 -1.26 -1.88 121.76 120.21 3dci s ALA 41 Ca 0.04 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 3dci s ALA 41 Cb 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3dci s ALA 41 CO 0.73 0.05 0.13 0.21 0.00 0.00 0.00 175.76 176.88 3dci s LYS 42 N -1.99 4.12 -0.22 0.00 2.47 0.57 -4.91 119.74 119.79 3dci s LYS 42 Ca -0.02 -0.25 -0.02 0.00 -1.56 0.00 0.00 55.97 54.11 3dci s LYS 42 Cb -0.08 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 3dci s LYS 42 CO 0.01 0.23 -0.08 0.08 0.16 0.00 0.00 175.35 175.75 3dci s VAL 43 N 0.55 3.01 -0.38 4.02 1.01 -1.26 -0.69 120.40 126.66 3dci s VAL 43 Ca 0.07 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3dci s VAL 43 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3dci s VAL 43 CO -0.00 0.41 0.49 -1.00 0.00 0.00 0.00 175.10 175.00 3dci s HIS 44 N 1.41 3.17 0.02 5.22 0.09 0.29 -4.93 115.29 120.55 3dci s HIS 44 Ca 0.05 -0.01 -0.27 0.00 -0.00 0.00 0.00 55.06 54.82 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 -0.06 -0.60 0.85 -1.25 -0.00 0.00 0.00 174.74 173.68 3dci s PRO 45 N 2.33 4.54 -0.43 8.40 0.04 -1.26 -1.10 135.00 147.52 3dci s PRO 45 Ca 0.17 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.46 3dci s PRO 45 Cb -0.16 -3.41 0.22 0.00 0.04 0.00 0.00 34.50 31.19 3dci s PRO 45 CO 0.14 0.13 0.48 0.39 0.04 0.00 0.00 177.00 178.18 3dci n GLU 46 N 3.33 0.74 -3.87 4.56 -0.58 0.11 -4.95 120.64 119.99 3dci n GLU 46 Ca 0.01 -3.38 -0.36 0.00 -0.42 0.00 0.00 57.16 53.02 3dci n GLU 46 Cb 0.50 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.76 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 -0.91 1.72 -0.16 0.62 0.00 -1.26 -1.37 107.32 105.95 3dci s GLY 47 Ca 0.34 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.98 3dci s GLY 47 CO -0.13 0.43 -0.21 -2.27 0.00 0.00 0.00 173.10 170.92 3dci s LEU 48 N 1.42 2.11 0.13 0.66 0.20 -0.90 -4.16 118.68 118.14 3dci s LEU 48 Ca 0.05 -0.63 -0.32 0.00 0.69 0.00 0.00 54.13 53.92 3dci s LEU 48 Cb -0.15 -1.45 -0.12 0.00 -0.43 0.00 0.00 46.19 44.04 3dci s LEU 48 CO 0.01 0.03 1.74 0.61 -0.29 0.00 0.00 176.35 178.46 3dci n GLY 49 N 4.38 1.47 1.79 7.98 0.00 -1.26 -1.82 105.19 117.73 3dci n GLY 49 Ca -0.20 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 3.96 1.20 3.74 -0.02 0.00 -1.26 -4.86 105.19 107.95 3dci n GLY 50 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dci n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dci n ARG 51 N -2.00 2.76 -3.31 1.61 0.63 -0.75 -4.87 116.66 110.72 3dci n ARG 51 Ca 0.00 0.98 -0.19 0.00 -0.92 0.00 0.00 57.85 57.73 3dci n ARG 51 Cb 0.00 -2.79 -0.01 0.00 0.45 0.00 0.00 32.46 30.11 3dci n ARG 51 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3dci s THR 52 N 0.33 3.28 0.10 5.15 -4.23 -0.07 -4.45 115.64 115.74 3dci s THR 52 Ca 0.67 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 3dci s THR 52 Cb -0.49 -3.13 -0.11 0.00 1.34 0.00 0.00 72.50 70.12 3dci s THR 52 CO 0.44 -0.06 1.67 0.71 -0.54 0.00 0.00 174.62 176.84 3dci h THR 53 N 0.84 0.62 -0.02 3.99 1.35 -1.93 -0.23 112.91 117.54 3dci h THR 53 Ca -0.42 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.29 3dci h THR 53 Cb 1.27 0.62 -0.20 0.00 -1.73 0.00 0.00 68.15 68.11 3dci h THR 53 CO 0.51 0.00 -0.49 0.00 -0.25 0.00 0.00 175.52 175.29 3dci s TYR 55 N -0.13 2.01 0.52 0.00 2.02 -1.26 -4.88 117.35 115.64 3dci s TYR 55 Ca 0.10 -0.79 -0.22 0.00 -0.37 0.00 0.00 57.07 55.78 3dci s TYR 55 Cb 0.15 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 40.26 3dci s TYR 55 CO -0.05 -0.35 1.29 -0.51 -1.57 0.00 0.00 175.55 174.36 3dci s ASP 56 N 0.50 5.55 -0.30 2.29 1.01 -1.26 -3.87 116.67 120.58 3dci s ASP 56 Ca -0.17 2.60 -0.01 0.00 0.71 0.00 0.00 52.55 55.68 3dci s ASP 56 Cb -0.17 -2.62 0.19 0.00 1.01 0.00 0.00 42.92 41.33 3dci s ASP 56 CO 0.06 -1.37 0.64 -0.62 0.21 0.00 0.00 175.17 174.09 3dci s ASP 57 N -1.12 -1.34 -0.06 0.27 -1.08 -1.26 -4.96 116.67 107.12 3dci s ASP 57 Ca 0.69 0.75 0.17 0.00 -0.52 0.00 0.00 52.55 53.65 3dci s ASP 57 Cb -0.36 2.09 0.61 0.00 -1.46 0.00 0.00 42.92 43.79 3dci s ASP 57 CO 0.43 -0.25 1.50 1.41 0.52 0.00 0.00 175.17 178.78 3dci n HIS 58 N 5.43 1.14 1.58 -5.34 8.25 -1.26 -3.89 115.22 121.14 3dci n HIS 58 Ca -0.01 -0.49 0.15 0.00 -0.26 0.00 0.00 57.72 57.11 3dci n HIS 58 Cb 0.52 -0.14 0.76 0.00 1.12 0.00 0.00 29.99 32.24 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 1.11 2.63 -4.22 -1.41 0.00 -1.26 -4.86 120.51 112.50 3dci n ALA 59 Ca 0.22 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 3dci n ALA 59 Cb 0.70 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3dci n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dci n GLY 60 N 1.20 3.11 0.00 0.00 0.00 -1.26 -5.03 105.19 103.21 3dci n GLY 60 Ca 0.17 -2.32 0.13 0.00 0.00 0.00 0.00 46.02 44.00 3dci n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dci n PRO 61 N -1.49 0.26 -3.94 1.61 -0.04 -1.26 -4.87 135.00 125.27 3dci n PRO 61 Ca -0.10 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 3dci n PRO 61 Cb 0.60 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.69 -0.02 0.03 0.55 0.00 -1.26 -5.12 121.76 113.25 3dci s ALA 62 Ca 0.21 -0.58 -0.36 0.00 0.00 0.00 0.00 51.96 51.23 3dci s ALA 62 Cb 0.17 0.23 -0.15 0.00 0.00 0.00 0.00 23.12 23.37 3dci s ALA 62 CO 0.42 -0.29 1.52 0.00 0.00 0.00 0.00 175.76 177.40 3dci n ARG 64 N 3.60 2.07 -2.33 0.00 1.74 -1.25 -4.93 116.66 115.56 3dci n ARG 64 Ca 0.20 -1.87 -0.43 0.00 -0.77 0.00 0.00 57.85 54.98 3dci n ARG 64 Cb 0.22 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.71 6.33 0.40 0.55 3.84 -1.25 -0.89 114.94 122.20 3dci s ASN 65 Ca 0.27 0.87 0.06 0.00 0.21 0.00 0.00 52.86 54.28 3dci s ASN 65 Cb 0.19 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 39.16 3dci s ASN 65 CO 0.27 -1.43 2.03 1.23 -2.79 0.00 0.00 177.10 176.41 3dci h GLY 66 N 12.22 0.68 0.80 1.21 0.00 -0.99 -2.70 103.07 114.29 3dci h GLY 66 Ca -0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3dci h GLY 66 CO 1.08 0.23 -0.08 0.00 0.00 0.00 0.00 176.54 177.77 3dci h ALA 67 N 1.70 0.28 -0.40 3.60 0.00 -1.58 0.81 119.26 123.67 3dci h ALA 67 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3dci h ALA 67 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dci h ALA 67 CO -0.05 0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.42 3dci h ARG 68 N 0.11 0.62 -0.25 0.00 -0.00 -1.88 -2.67 114.38 110.32 3dci h ARG 68 Ca 0.05 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.98 59.31 3dci h ARG 68 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 3dci h ARG 68 CO 0.03 0.61 -0.23 0.00 0.00 0.00 0.00 179.97 180.38 3dci h ALA 69 N 0.98 1.15 -0.63 0.04 0.00 -1.42 -2.99 119.26 116.39 3dci h ALA 69 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dci h ALA 69 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3dci h ALA 69 CO -0.01 0.54 0.31 1.25 0.00 0.00 0.00 179.25 181.34 3dci h LEU 70 N 0.41 0.82 -0.84 0.00 5.85 -0.60 0.84 115.31 121.80 3dci h LEU 70 Ca 0.06 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3dci h LEU 70 Cb 0.63 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3dci h LEU 70 CO 0.04 0.72 0.54 -0.33 -0.34 0.00 0.00 178.44 179.07 3dci h GLU 71 N 0.87 1.02 -0.30 1.25 5.08 -1.39 0.14 114.58 121.24 3dci h GLU 71 Ca 0.22 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3dci h GLU 71 Cb 0.11 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3dci h GLU 71 CO -0.03 0.67 0.03 0.28 -1.00 0.00 0.00 179.01 178.96 3dci h VAL 72 N 1.05 1.24 -0.61 3.13 2.07 -1.25 -1.93 116.25 119.95 3dci h VAL 72 Ca 0.33 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3dci h VAL 72 Cb 0.01 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3dci h VAL 72 CO -0.12 0.28 0.25 0.00 0.02 0.00 0.00 177.57 178.01 3dci h ALA 73 N 0.86 1.30 -0.33 1.67 0.00 -0.29 -0.31 119.26 122.15 3dci h ALA 73 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3dci h ALA 73 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dci h ALA 73 CO 0.01 0.53 -0.09 -0.07 0.00 0.00 0.00 179.25 179.63 3dci h LEU 74 N 0.88 0.65 -0.12 0.00 3.38 -0.58 -2.18 115.31 117.33 3dci h LEU 74 Ca 0.21 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dci h LEU 74 Cb 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dci h LEU 74 CO -0.02 0.87 0.02 -1.28 0.09 0.00 0.00 178.44 178.12 3dci h SER 75 N 0.42 0.20 -0.46 -0.43 0.87 -0.96 -3.13 113.55 110.05 3dci h SER 75 Ca 0.08 -0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.43 3dci h SER 75 Cb 0.59 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3dci h SER 75 CO 0.03 0.42 0.31 0.00 -0.53 0.00 0.00 176.83 177.06 3dci n HIS 77 N -4.48 3.83 -1.53 0.00 8.25 -0.82 -5.10 115.22 115.37 3dci n HIS 77 Ca 0.06 -4.20 -0.51 0.00 -0.26 0.00 0.00 57.72 52.81 3dci n HIS 77 Cb 0.24 -0.93 -0.05 0.00 1.12 0.00 0.00 29.99 30.37 3dci n HIS 77 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3dci n PRO 79 N 2.12 0.70 -4.93 -0.41 -0.04 -1.26 -5.01 135.00 126.17 3dci n PRO 79 Ca 0.21 0.25 -0.33 0.00 -0.04 0.00 0.00 63.50 63.60 3dci n PRO 79 Cb 0.36 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.83 2.64 0.08 1.53 1.43 -1.26 -4.83 118.68 119.10 3dci s LEU 80 Ca 0.77 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3dci s LEU 80 Cb -0.98 -1.54 -0.25 0.00 0.03 0.00 0.00 46.19 43.46 3dci s LEU 80 CO 0.53 0.31 1.12 0.44 0.23 0.00 0.00 176.35 178.99 3dci h ASP 81 N 5.61 0.22 -3.80 2.29 3.32 -1.52 -3.32 116.42 119.22 3dci h ASP 81 Ca -0.42 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.24 3dci h ASP 81 Cb 1.16 -0.07 -0.25 0.00 0.22 0.00 0.00 39.33 40.39 3dci h ASP 81 CO 0.51 1.20 -0.29 -0.22 -1.72 0.00 0.00 179.24 178.72 3dci s LEU 82 N -6.88 0.53 -0.15 1.55 2.96 -1.01 -1.41 118.68 114.28 3dci s LEU 82 Ca -0.03 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3dci s LEU 82 Cb 0.08 1.26 -0.02 0.00 0.50 0.00 0.00 46.19 48.01 3dci s LEU 82 CO 0.85 -0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.96 3dci s VAL 83 N 0.33 3.27 -0.16 1.68 1.01 -0.26 -1.03 120.40 125.24 3dci s VAL 83 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dci s VAL 83 Cb -0.03 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3dci s VAL 83 CO -0.01 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 174.86 3dci s ILE 84 N 0.50 3.08 0.50 2.22 1.01 0.44 -0.77 121.20 128.18 3dci s ILE 84 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3dci s ILE 84 Cb -0.15 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3dci s ILE 84 CO 0.04 0.50 0.03 -0.63 0.00 0.00 0.00 174.94 174.87 3dci s ILE 85 N 0.74 0.98 0.00 2.92 1.01 -0.70 -0.92 121.20 125.23 3dci s ILE 85 Ca -0.05 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.60 3dci s ILE 85 Cb -0.15 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3dci s ILE 85 CO 0.02 0.00 0.00 0.18 0.00 0.00 0.00 174.94 175.14 3dci n LEU 87 N -1.22 0.00 0.00 2.97 4.77 -1.26 -0.54 117.00 121.72 3dci n LEU 87 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3dci n LEU 87 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3dci n LEU 87 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3dci n GLY 88 N -1.37 1.17 0.28 -0.72 0.00 -1.26 -4.57 105.19 98.71 3dci n GLY 88 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 1.13 0.00 2.61 2.02 -1.97 -2.60 112.91 114.10 3dci h THR 89 Ca 0.00 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 3dci h THR 89 Cb 0.00 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3dci h THR 89 CO 0.00 0.16 -1.01 0.78 0.37 0.00 0.00 175.52 175.82 3dci h ASN 90 N 0.41 0.00 0.42 4.18 2.35 -1.91 -3.32 115.58 117.71 3dci h ASN 90 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3dci h ASN 90 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3dci h ASN 90 CO -0.01 0.34 -0.08 0.44 -1.65 0.00 0.00 177.43 176.48 3dci h ASP 91 N 0.00 0.00 -0.43 5.81 5.19 -1.76 -2.01 116.42 123.22 3dci h ASP 91 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3dci h ASP 91 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3dci h ASP 91 CO 0.03 0.08 0.00 2.30 -3.12 0.00 0.00 179.24 178.53 3dci n ILE 92 N -3.46 0.57 -2.03 0.35 -5.35 -1.15 -4.26 119.36 104.03 3dci n ILE 92 Ca -0.02 -0.61 -0.36 0.00 -0.27 0.00 0.00 62.75 61.50 3dci n ILE 92 Cb 0.22 0.38 0.03 0.00 -1.74 0.00 0.00 39.64 38.53 3dci n ILE 92 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3dci s LYS 93 N -1.43 3.01 0.33 6.28 1.02 -0.76 -3.97 119.74 124.21 3dci s LYS 93 Ca 0.33 1.77 0.09 0.00 0.02 0.00 0.00 55.97 58.18 3dci s LYS 93 Cb 0.17 -1.94 0.85 0.00 -0.52 0.00 0.00 37.83 36.39 3dci s LYS 93 CO 0.23 -1.16 1.77 -1.35 -0.92 0.00 0.00 175.35 173.92 3dci h PRO 94 N 0.87 0.63 0.00 -1.68 0.11 -1.80 -1.04 132.00 129.09 3dci h PRO 94 Ca -0.50 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3dci h PRO 94 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dci h PRO 94 CO 0.55 0.41 -0.26 -0.24 -0.21 0.00 0.00 178.00 178.26 3dci h VAL 95 N 0.64 0.94 -0.56 3.15 3.04 -1.93 -1.21 116.25 120.33 3dci h VAL 95 Ca 0.59 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3dci h VAL 95 Cb 1.09 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 3dci h VAL 95 CO -0.38 0.25 0.00 1.41 -1.01 0.00 0.00 177.57 177.84 3dci n HIS 96 N -3.88 1.02 0.00 3.17 8.25 -0.51 -4.92 115.22 118.34 3dci n HIS 96 Ca -0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 3dci n HIS 96 Cb 0.34 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.20 2.19 2.45 -1.41 0.00 -0.46 -4.70 105.19 104.46 3dci n GLY 97 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.56 0.73 3.14 -0.02 0.00 -0.52 -4.90 105.19 103.07 3dci n GLY 98 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.01 0.75 0.40 1.61 0.52 -1.26 -4.67 118.95 114.28 3dci s ARG 99 Ca 0.00 -1.29 0.21 0.00 -0.52 0.00 0.00 55.73 54.13 3dci s ARG 99 Cb 0.00 -0.03 0.63 0.00 0.52 0.00 0.00 34.95 36.07 3dci s ARG 99 CO 0.00 -0.06 1.70 0.00 0.02 0.00 0.00 175.30 176.96 3dci h ALA 100 N 3.03 0.92 -0.63 2.13 0.00 -1.91 -3.31 119.26 119.49 3dci h ALA 100 Ca -0.35 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.42 3dci h ALA 100 Cb 1.16 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3dci h ALA 100 CO 0.65 0.35 0.20 0.93 0.00 0.00 0.00 179.25 181.38 3dci h GLU 101 N 0.00 0.34 -0.57 0.00 3.07 -1.96 -1.45 114.58 114.00 3dci h GLU 101 Ca -0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3dci h GLU 101 Cb 0.95 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.75 3dci h GLU 101 CO 0.04 0.22 0.27 0.00 -1.40 0.00 0.00 179.01 178.14 3dci h ALA 102 N 1.47 1.40 -0.21 3.43 0.00 -1.89 -1.92 119.26 121.53 3dci h ALA 102 Ca 0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dci h ALA 102 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dci h ALA 102 CO -0.37 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.27 3dci h ALA 103 N 1.49 0.30 -0.18 0.00 0.00 -1.47 -1.47 119.26 117.94 3dci h ALA 103 Ca 0.20 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3dci h ALA 103 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dci h ALA 103 CO -0.03 0.12 -0.51 -0.24 0.00 0.00 0.00 179.25 178.59 3dci h VAL 104 N 0.15 1.32 -0.55 0.00 3.04 -1.28 -2.98 116.25 115.95 3dci h VAL 104 Ca 0.05 -1.74 -0.03 0.00 -1.01 0.00 0.00 66.70 63.97 3dci h VAL 104 Cb 0.56 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 3dci h VAL 104 CO 0.03 0.54 0.24 0.28 -1.01 0.00 0.00 177.57 177.64 3dci h SER 105 N 0.39 0.74 0.00 3.17 0.02 -1.35 -1.41 113.55 115.11 3dci h SER 105 Ca 0.02 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3dci h SER 105 Cb 1.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3dci h SER 105 CO 0.09 0.69 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 3dci n GLY 106 N -0.85 0.56 2.02 -3.77 0.00 -0.56 -2.16 105.19 100.43 3dci n GLY 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.93 0.00 -0.26 1.61 0.63 -0.53 -1.56 116.66 117.48 3dci n ARG 108 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3dci n ARG 108 Cb 0.13 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.09 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 1.07 -0.52 -0.14 9.65 -1.71 -0.69 114.38 122.03 3dci h ARG 109 Ca 0.00 -0.20 -0.11 0.00 -1.10 0.00 0.00 59.98 58.57 3dci h ARG 109 Cb 0.00 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 3dci h ARG 109 CO 0.00 0.89 -0.10 -0.07 2.80 0.00 0.00 179.97 183.49 3dci h LEU 110 N 1.02 0.97 -0.45 3.80 3.38 -1.58 0.16 115.31 122.61 3dci h LEU 110 Ca 0.23 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dci h LEU 110 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dci h LEU 110 CO -0.02 1.08 0.25 0.00 0.09 0.00 0.00 178.44 179.85 3dci h ALA 111 N 1.00 0.57 -0.85 1.53 0.00 -1.75 -1.07 119.26 118.69 3dci h ALA 111 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dci h ALA 111 Cb 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3dci h ALA 111 CO 0.04 0.09 0.56 1.96 0.00 0.00 0.00 179.25 181.91 3dci h GLN 112 N 0.59 1.10 -0.32 0.00 4.20 -0.67 -1.44 115.11 118.58 3dci h GLN 112 Ca 0.16 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3dci h GLN 112 Cb 0.04 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3dci h GLN 112 CO -0.03 0.73 0.19 0.82 -0.67 0.00 0.00 178.83 179.87 3dci h ILE 113 N 1.14 1.11 -0.69 2.54 2.04 -0.50 -1.93 117.51 121.23 3dci h ILE 113 Ca 0.32 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3dci h ILE 113 Cb -0.10 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3dci h ILE 113 CO -0.08 0.11 0.44 0.58 0.00 0.00 0.00 178.15 179.20 3dci h VAL 114 N 0.40 1.19 -0.67 1.67 2.07 -0.89 -1.96 116.25 118.06 3dci h VAL 114 Ca 0.11 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3dci h VAL 114 Cb 0.02 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3dci h VAL 114 CO -0.02 0.19 0.20 -0.33 0.02 0.00 0.00 177.57 177.62 3dci h GLU 115 N 0.93 1.05 -0.18 1.57 5.08 -1.05 -3.33 114.58 118.65 3dci h GLU 115 Ca 0.25 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3dci h GLU 115 Cb -0.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3dci h GLU 115 CO -0.05 0.92 0.00 0.25 -1.00 0.00 0.00 179.01 179.13 3dci n THR 116 N -4.32 0.39 -1.80 1.13 -2.24 -0.74 -5.01 114.28 101.68 3dci n THR 116 Ca 0.05 -0.69 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 3dci n THR 116 Cb 0.23 0.99 0.06 0.00 -2.10 0.00 0.00 70.33 69.51 3dci n THR 116 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3dci s PHE 117 N -1.10 2.15 -1.04 4.78 5.36 -0.75 -4.89 117.98 122.48 3dci s PHE 117 Ca 0.21 1.49 -0.20 0.00 -0.96 0.00 0.00 56.93 57.47 3dci s PHE 117 Cb 0.13 -3.65 0.09 0.00 -0.34 0.00 0.00 43.02 39.25 3dci s PHE 117 CO 0.18 -2.77 1.38 0.42 -1.46 0.00 0.00 175.22 172.97 3dci s ILE 118 N -1.43 4.30 0.54 3.12 -1.09 -1.26 -4.99 121.20 120.39 3dci s ILE 118 Ca 0.81 -1.34 -0.15 0.00 -2.23 0.00 0.00 60.65 57.75 3dci s ILE 118 Cb -0.36 -4.97 -0.07 0.00 -1.58 0.00 0.00 42.46 35.48 3dci s ILE 118 CO 0.38 -1.78 0.99 -0.31 -1.23 0.00 0.00 174.94 172.99 3dci s TYR 119 N 3.84 3.50 -0.29 3.97 2.02 -1.26 -5.02 117.35 124.11 3dci s TYR 119 Ca 0.42 1.41 0.02 0.00 -0.37 0.00 0.00 57.07 58.55 3dci s TYR 119 Cb -0.01 -2.76 0.07 0.00 -0.40 0.00 0.00 41.96 38.85 3dci s TYR 119 CO -0.07 -0.45 -0.04 0.15 -1.57 0.00 0.00 175.55 173.57 3dci s LYS 120 N -4.38 2.15 0.76 -0.62 1.02 -1.26 -2.39 119.74 115.02 3dci s LYS 120 Ca 0.58 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.01 3dci s LYS 120 Cb -0.10 -3.06 0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3dci s LYS 120 CO 0.38 -0.67 1.10 -1.25 -0.92 0.00 0.00 175.35 173.98 3dci s PRO 121 N 1.11 2.43 0.51 -1.68 0.04 -1.26 -4.33 135.00 131.81 3dci s PRO 121 Ca -0.04 0.58 0.24 0.00 0.04 0.00 0.00 61.00 61.82 3dci s PRO 121 Cb -0.20 -1.96 1.35 0.00 0.04 0.00 0.00 34.50 33.73 3dci s PRO 121 CO -0.04 -1.37 2.07 0.00 0.04 0.00 0.00 177.00 177.70 3dci h ARG 122 N -0.90 0.00 0.00 4.56 2.47 -1.87 -1.83 114.38 116.81 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 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3dci h ARG 122 CO 0.61 0.13 0.00 -0.85 0.56 0.00 0.00 179.97 180.42 3dci n GLU 123 N -3.87 0.23 -1.14 0.04 0.00 -1.26 -4.33 120.64 110.31 3dci n GLU 123 Ca -0.02 0.03 -0.28 0.00 0.00 0.00 0.00 57.16 56.89 3dci n GLU 123 Cb 0.22 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.09 3dci n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dci n ALA 124 N -1.38 6.84 -2.64 -1.84 0.00 -0.69 -4.91 120.51 115.88 3dci n ALA 124 Ca 0.10 -2.78 -0.41 0.00 0.00 0.00 0.00 53.44 50.36 3dci n ALA 124 Cb 0.26 -2.98 -0.05 0.00 0.00 0.00 0.00 19.45 16.69 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 1.89 4.90 0.71 0.00 1.01 -1.26 -4.54 120.40 123.11 3dci s VAL 125 Ca 0.65 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.93 3dci s VAL 125 Cb 0.22 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3dci s VAL 125 CO -0.04 -0.01 1.08 -2.84 0.00 0.00 0.00 175.10 173.29 3dci s PRO 126 N 2.54 2.66 0.74 2.72 0.02 -1.25 -4.97 135.00 137.47 3dci s PRO 126 Ca 0.32 1.16 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 3dci s PRO 126 Cb -0.16 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3dci s PRO 126 CO 0.09 -1.33 1.08 0.15 -0.33 0.00 0.00 177.00 176.66 3dci s LYS 127 N -4.69 2.56 -0.06 5.54 1.02 -0.50 -4.87 119.74 118.74 3dci s LYS 127 Ca 0.62 0.68 0.01 0.00 0.02 0.00 0.00 55.97 57.30 3dci s LYS 127 Cb -0.17 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3dci s LYS 127 CO 0.51 -1.29 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.40 3dci s LEU 128 N -5.59 1.42 -0.26 3.17 2.96 -1.26 -1.10 118.68 118.02 3dci s LEU 128 Ca 0.59 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3dci s LEU 128 Cb -0.13 -0.64 0.04 0.00 0.50 0.00 0.00 46.19 45.95 3dci s LEU 128 CO 0.54 -0.03 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.25 3dci s LEU 129 N 0.93 3.33 -0.16 -0.68 2.96 0.05 -1.36 118.68 123.75 3dci s LEU 129 Ca -0.10 -1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 52.52 3dci s LEU 129 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3dci s LEU 129 CO 0.01 -0.16 0.64 -0.63 -1.32 0.00 0.00 176.35 174.88 3dci s ILE 130 N 1.25 5.04 -0.17 6.68 1.01 0.58 -1.73 121.20 133.86 3dci s ILE 130 Ca -0.03 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.87 3dci s ILE 130 Cb -0.18 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3dci s ILE 130 CO -0.04 0.16 -0.16 -0.69 0.00 0.00 0.00 174.94 174.21 3dci s VAL 131 N 1.54 2.49 -0.08 2.92 1.01 0.30 -1.21 120.40 127.37 3dci s VAL 131 Ca 0.31 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3dci s VAL 131 Cb -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3dci s VAL 131 CO 0.12 0.51 1.10 0.00 0.00 0.00 0.00 175.10 176.83 3dci s ALA 132 N 1.09 3.44 0.77 5.51 0.00 -0.77 -3.99 121.76 127.81 3dci s ALA 132 Ca -0.00 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 3dci s ALA 132 Cb -0.14 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.56 3dci s ALA 132 CO -0.05 -0.67 1.10 -1.25 0.00 0.00 0.00 175.76 174.88 3dci s PRO 133 N 2.08 2.22 0.50 0.00 0.04 -1.26 -0.95 135.00 137.63 3dci s PRO 133 Ca 0.52 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 3dci s PRO 133 Cb -0.21 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3dci s PRO 133 CO 0.20 -1.67 1.37 -2.14 0.04 0.00 0.00 177.00 174.80 3dci s PRO 134 N -4.82 3.43 0.81 0.56 0.02 -1.26 -4.34 135.00 129.41 3dci s PRO 134 Ca 0.62 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.80 3dci s PRO 134 Cb -0.18 -2.45 0.08 0.00 0.02 0.00 0.00 34.50 31.98 3dci s PRO 134 CO 0.55 -0.97 1.13 -2.14 -0.33 0.00 0.00 177.00 175.24 3dci s PRO 135 N -2.68 1.81 0.68 5.54 0.02 -1.26 -4.75 135.00 134.36 3dci s PRO 135 Ca 0.66 1.40 -0.15 0.00 0.02 0.00 0.00 61.00 62.93 3dci s PRO 135 Cb -0.41 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.30 3dci s PRO 135 CO 0.50 -2.01 1.16 0.00 -0.33 0.00 0.00 177.00 176.32 3dci s VAL 137 N -2.11 1.29 -0.25 0.00 -7.23 0.33 -4.81 120.40 107.62 3dci s VAL 137 Ca 0.71 -2.08 -0.35 0.00 -1.81 0.00 0.00 61.98 58.45 3dci s VAL 137 Cb -0.25 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.35 3dci s VAL 137 CO 0.42 -0.44 2.04 0.00 -0.31 0.00 0.00 175.10 176.81 3dci n ALA 138 N -0.41 0.90 -1.10 1.32 0.00 -1.26 -3.76 120.51 116.20 3dci n ALA 138 Ca -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 3dci n ALA 138 Cb 0.63 -2.52 0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 5.52 -1.68 0.26 0.00 0.00 -1.09 -4.67 105.19 103.53 3dci n GLY 139 Ca 0.33 -1.59 0.17 0.00 0.00 0.00 0.00 46.02 44.92 3dci n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dci h PRO 140 N 0.00 0.00 -0.01 1.61 0.13 -1.75 -0.33 132.00 131.65 3dci h PRO 140 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3dci h PRO 140 Cb 0.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.32 3dci h PRO 140 CO 0.05 0.00 -0.04 0.41 -0.23 0.00 0.00 178.00 178.19 3dci n GLY 141 N 0.03 -0.38 0.88 1.56 0.00 -1.26 -4.91 105.19 101.10 3dci n GLY 141 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.16 1.18 3.15 -0.02 0.00 -0.13 -5.05 105.19 105.48 3dci n GLY 142 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.72 0.77 0.65 1.61 2.02 -1.25 -4.27 118.70 117.50 3dci s GLU 143 Ca 0.00 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 53.90 3dci s GLU 143 Cb 0.00 -0.72 -0.00 0.00 0.10 0.00 0.00 34.13 33.51 3dci s GLU 143 CO 0.00 0.16 1.19 -2.14 0.02 0.00 0.00 175.26 174.48 3dci s PRO 144 N -1.74 2.66 0.49 0.39 0.02 -1.25 -2.68 135.00 132.90 3dci s PRO 144 Ca -0.03 1.72 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 3dci s PRO 144 Cb -0.10 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 3dci s PRO 144 CO 0.02 -1.43 0.75 0.00 -0.33 0.00 0.00 177.00 176.01 3dci n ALA 145 N -2.13 -0.60 -1.06 -1.55 0.00 0.78 -3.37 120.51 112.58 3dci n ALA 145 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 3dci n ALA 145 Cb 0.50 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 3dci n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dci n GLY 146 N 1.52 0.56 2.43 0.00 0.00 -1.26 -3.33 105.19 105.10 3dci n GLY 146 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.31 0.66 3.76 -0.02 0.00 -1.22 -4.40 105.19 101.67 3dci n GLY 147 Ca -0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.84 3.40 -0.25 1.61 0.52 -1.21 -4.54 118.95 116.63 3dci s ARG 148 Ca 0.00 1.85 -0.13 0.00 -0.52 0.00 0.00 55.73 56.93 3dci s ARG 148 Cb 0.00 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 3dci s ARG 148 CO 0.00 -0.87 0.29 0.34 0.02 0.00 0.00 175.30 175.08 3dci s ASP 149 N -1.39 6.20 0.12 0.23 2.15 -1.26 -4.31 116.67 118.41 3dci s ASP 149 Ca 0.70 0.22 -0.20 0.00 0.43 0.00 0.00 52.55 53.69 3dci s ASP 149 Cb -0.31 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 3dci s ASP 149 CO 0.36 -0.08 1.71 0.40 -0.17 0.00 0.00 175.17 177.39 3dci h ILE 150 N 5.24 0.82 -0.74 4.11 2.04 -1.95 -2.07 117.51 124.96 3dci h ILE 150 Ca -0.35 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3dci h ILE 150 Cb 1.17 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 3dci h ILE 150 CO 0.64 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 179.09 3dci h GLU 151 N -0.01 0.63 -0.55 2.37 4.81 -1.94 -2.01 114.58 117.88 3dci h GLU 151 Ca 0.08 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3dci h GLU 151 Cb 0.13 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3dci h GLU 151 CO -0.18 0.42 -0.08 1.96 -0.73 0.00 0.00 179.01 180.40 3dci h GLN 152 N 0.65 1.02 -1.99 1.92 1.08 -1.82 -3.07 115.11 112.90 3dci h GLN 152 Ca 0.37 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dci h GLN 152 Cb 0.37 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3dci h GLN 152 CO -0.27 1.05 0.00 -1.13 -0.95 0.00 0.00 178.83 177.53 3dci n SER 153 N -4.15 0.00 0.00 1.46 3.41 -0.76 -3.68 113.62 109.90 3dci n SER 153 Ca 0.02 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 3dci n SER 153 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.63 0.00 -0.21 4.33 1.74 -1.16 -4.51 116.66 118.47 3dci n ARG 155 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3dci n ARG 155 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 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 0.59 0.55 3.38 -1.90 -2.48 115.31 116.25 3dci h LEU 156 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3dci h LEU 156 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dci h LEU 156 CO 0.00 0.72 -0.31 0.00 0.09 0.00 0.00 178.44 178.94 3dci h ALA 157 N 1.11 -0.83 -0.56 1.53 0.00 -1.91 0.30 119.26 118.90 3dci h ALA 157 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dci h ALA 157 Cb 0.14 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dci h ALA 157 CO -0.02 -0.97 0.17 -1.00 0.00 0.00 0.00 179.25 177.42 3dci h PRO 158 N -0.83 0.85 -0.29 0.00 0.13 -1.97 -0.55 132.00 129.33 3dci h PRO 158 Ca -0.08 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 3dci h PRO 158 Cb 0.65 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3dci h PRO 158 CO 0.11 0.74 -0.37 -0.07 -0.23 0.00 0.00 178.00 178.18 3dci h LEU 159 N 0.82 0.83 -0.91 1.56 3.38 -1.34 -2.30 115.31 117.35 3dci h LEU 159 Ca 0.19 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3dci h LEU 159 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3dci h LEU 159 CO -0.01 1.16 0.06 1.88 0.09 0.00 0.00 178.44 181.62 3dci h TYR 160 N 0.52 0.91 -0.09 1.13 -1.99 -0.83 -1.24 116.97 115.37 3dci h TYR 160 Ca 0.04 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 3dci h TYR 160 Cb 0.96 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 39.43 3dci h TYR 160 CO 0.07 0.80 0.05 -0.09 -0.00 0.00 0.00 178.16 178.99 3dci h ARG 161 N 0.82 0.12 -0.54 4.88 2.43 -0.96 0.77 114.38 121.89 3dci h ARG 161 Ca 0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3dci h ARG 161 Cb 0.40 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dci h ARG 161 CO 0.01 0.13 0.36 0.87 -1.51 0.00 0.00 179.97 179.83 3dci h LYS 162 N 0.07 0.72 0.11 0.20 1.57 -1.38 -1.90 116.57 115.97 3dci h LYS 162 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dci h LYS 162 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3dci h LYS 162 CO -0.01 0.48 -0.11 1.25 -0.57 0.00 0.00 179.45 180.50 3dci h LEU 163 N 0.74 -0.29 -0.62 2.94 5.85 -0.97 0.05 115.31 123.00 3dci h LEU 163 Ca 0.20 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3dci h LEU 163 Cb -0.08 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3dci h LEU 163 CO -0.04 -0.17 0.32 0.00 -0.34 0.00 0.00 178.44 178.21 3dci h ALA 164 N 0.63 0.83 -0.67 1.25 0.00 -0.73 -1.55 119.26 119.02 3dci h ALA 164 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dci h ALA 164 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dci h ALA 164 CO -0.03 -0.03 0.34 0.00 0.00 0.00 0.00 179.25 179.53 3dci h ALA 165 N 1.35 0.86 -0.77 0.00 0.00 -1.03 0.00 119.26 119.67 3dci h ALA 165 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dci h ALA 165 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3dci h ALA 165 CO -0.20 0.40 0.38 1.49 0.00 0.00 0.00 179.25 181.32 3dci h GLU 166 N 0.92 1.10 -0.01 0.00 4.81 -0.38 -3.01 114.58 118.02 3dci h GLU 166 Ca 0.23 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3dci h GLU 166 Cb 0.08 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3dci h GLU 166 CO -0.03 0.85 -0.20 1.28 -0.73 0.00 0.00 179.01 180.18 3dci n LEU 167 N -4.39 1.01 -1.37 1.64 4.77 -0.64 -4.94 117.00 113.08 3dci n LEU 167 Ca 0.07 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 3dci n LEU 167 Cb 0.13 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3dci n LEU 167 CO 0.39 0.18 -0.02 0.61 -1.33 0.00 0.00 177.39 177.23 3dci n GLY 168 N 1.30 0.14 2.45 -0.72 0.00 -0.32 -5.05 105.19 103.00 3dci n GLY 168 Ca 0.14 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 3dci n GLY 168 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dci n HIS 169 N -3.81 -0.36 -3.98 1.61 8.25 -0.17 -5.01 115.22 111.75 3dci n HIS 169 Ca -0.06 -1.56 -0.25 0.00 -0.26 0.00 0.00 57.72 55.60 3dci n HIS 169 Cb 0.56 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 3dci n HIS 169 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dci s HIS 170 N -1.91 3.41 -0.00 4.41 3.76 -0.46 -4.39 115.29 120.10 3dci s HIS 170 Ca 0.14 0.06 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 3dci s HIS 170 Cb -0.01 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 3dci s HIS 170 CO 0.09 0.50 -0.07 0.12 -0.85 0.00 0.00 174.74 174.53 3dci s PHE 171 N -1.81 0.61 -0.00 1.40 5.36 -1.26 -0.31 117.98 121.96 3dci s PHE 171 Ca 0.34 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 3dci s PHE 171 Cb -0.10 -0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 3dci s PHE 171 CO 0.28 -0.01 -0.01 0.12 -1.46 0.00 0.00 175.22 174.13 3dci s PHE 172 N -0.22 0.17 -0.47 10.12 5.36 -0.35 -4.94 117.98 127.64 3dci s PHE 172 Ca 0.02 -0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 55.79 3dci s PHE 172 Cb -0.03 -0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.57 3dci s PHE 172 CO -0.00 -0.02 0.50 0.34 -1.46 0.00 0.00 175.22 174.58 3dci s ASP 173 N 0.10 6.19 0.49 6.13 2.15 -1.26 -1.85 116.67 128.61 3dci s ASP 173 Ca -0.01 -0.97 0.25 0.00 0.43 0.00 0.00 52.55 52.26 3dci s ASP 173 Cb -0.02 -2.24 1.26 0.00 -0.30 0.00 0.00 42.92 41.62 3dci s ASP 173 CO -0.00 -0.73 1.99 0.00 -0.17 0.00 0.00 175.17 176.26 3dci h ALA 174 N 8.85 1.22 0.00 3.66 0.00 -1.33 -1.59 119.26 130.08 3dci h ALA 174 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dci h ALA 174 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dci h ALA 174 CO 0.89 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3dci n GLY 175 N -0.46 -0.86 0.13 0.00 0.00 -1.25 -1.97 105.19 100.77 3dci n GLY 175 Ca -0.01 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3dci n GLY 175 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dci h SER 176 N 0.00 0.00 0.00 1.61 4.64 -1.66 -3.34 113.55 114.80 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 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 -2.42 0.00 -3.73 0.95 0.24 -0.83 -5.09 118.33 107.45 3dci n VAL 177 Ca 0.05 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3dci n VAL 177 Cb 0.41 1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.43 -0.91 0.14 2.33 0.00 -0.87 -4.80 121.76 117.21 3dci s ALA 178 Ca 0.00 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.50 3dci s ALA 178 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3dci s ALA 178 CO 0.00 -0.27 -0.18 -1.12 0.00 0.00 0.00 175.76 174.18 3dci s SER 179 N -1.30 2.51 0.79 0.00 0.01 -1.26 -4.25 113.70 110.21 3dci s SER 179 Ca -0.13 -0.79 -0.13 0.00 1.31 0.00 0.00 55.95 56.20 3dci s SER 179 Cb -0.05 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.12 3dci s SER 179 CO 0.05 -0.02 1.17 0.00 0.41 0.00 0.00 173.24 174.84 3dci s ALA 180 N -1.77 1.95 0.19 1.44 0.00 -1.24 -4.75 121.76 117.58 3dci s ALA 180 Ca 0.11 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3dci s ALA 180 Cb -0.07 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 3dci s ALA 180 CO 0.05 -2.11 0.98 0.45 0.00 0.00 0.00 175.76 175.13 3dci s SER 181 N -2.42 7.53 0.02 0.00 0.15 0.18 -4.83 113.70 114.32 3dci s SER 181 Ca 0.70 1.93 0.11 0.00 0.70 0.00 0.00 55.95 59.40 3dci s SER 181 Cb -0.25 -2.60 0.49 0.00 -1.71 0.00 0.00 66.02 61.95 3dci s SER 181 CO 0.50 0.02 1.36 -0.81 1.20 0.00 0.00 173.24 175.51 3dci n PRO 182 N 2.02 0.01 -0.23 5.44 -0.04 -1.26 0.05 135.00 140.99 3dci n PRO 182 Ca 0.00 0.33 -0.04 0.00 -0.04 0.00 0.00 63.50 63.75 3dci n PRO 182 Cb 0.47 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.10 0.00 0.52 2.07 -1.92 -3.17 116.25 114.85 3dci h VAL 183 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dci h VAL 183 Cb 0.19 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3dci h VAL 183 CO 0.00 0.15 0.00 -0.90 0.02 0.00 0.00 177.57 176.84 3dci n ASP 184 N -4.68 0.20 0.00 0.57 5.75 -1.17 -4.41 116.55 112.81 3dci n ASP 184 Ca 0.06 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 3dci n ASP 184 Cb 0.07 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3dci n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dci n GLY 185 N 0.16 1.14 1.53 6.12 0.00 0.11 -0.16 105.19 114.08 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 -2.00 0.04 -2.16 1.61 0.31 -1.25 -0.52 118.33 114.37 3dci n VAL 186 Ca 0.00 0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 3dci n VAL 186 Cb 0.00 -0.98 0.09 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.70 -0.08 3.52 3.76 -1.26 -4.68 115.29 117.25 3dci s HIS 187 Ca 0.00 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 3dci s HIS 187 Cb 0.00 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.35 3dci s HIS 187 CO 0.00 -1.60 -0.11 -0.51 -0.85 0.00 0.00 174.74 171.67 3dci s LEU 188 N -5.35 2.90 1.03 0.89 1.43 -1.26 0.49 118.68 118.81 3dci s LEU 188 Ca 0.62 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 3dci s LEU 188 Cb -0.10 -1.63 0.21 0.00 0.03 0.00 0.00 46.19 44.70 3dci s LEU 188 CO 0.46 0.29 1.16 1.51 0.23 0.00 0.00 176.35 180.00 3dci s ASP 189 N -0.40 2.45 0.14 2.29 1.47 -1.26 -4.30 116.67 117.06 3dci s ASP 189 Ca 0.05 0.74 -0.14 0.00 1.18 0.00 0.00 52.55 54.38 3dci s ASP 189 Cb -0.12 -1.11 0.02 0.00 -0.34 0.00 0.00 42.92 41.37 3dci s ASP 189 CO 0.02 -3.19 1.64 0.00 0.68 0.00 0.00 175.17 174.32 3dci h ALA 190 N -1.94 0.63 -0.14 2.11 0.00 -1.95 -0.85 119.26 117.12 3dci h ALA 190 Ca -0.48 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 3dci h ALA 190 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3dci h ALA 190 CO 0.47 0.34 -0.41 0.66 0.00 0.00 0.00 179.25 180.31 3dci h SER 191 N 0.65 0.32 -0.54 0.00 4.64 -1.93 -1.57 113.55 115.12 3dci h SER 191 Ca 0.15 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3dci h SER 191 Cb 0.36 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3dci h SER 191 CO 0.01 0.70 -0.11 0.00 -0.87 0.00 0.00 176.83 176.57 3dci h ALA 192 N 1.31 0.74 -0.32 5.18 0.00 -1.86 -1.04 119.26 123.27 3dci h ALA 192 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3dci h ALA 192 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3dci h ALA 192 CO 0.07 0.65 0.11 1.15 0.00 0.00 0.00 179.25 181.23 3dci h THR 193 N 0.90 1.20 -0.78 0.00 2.02 -1.03 -2.82 112.91 112.39 3dci h THR 193 Ca 0.14 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3dci h THR 193 Cb 0.67 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3dci h THR 193 CO 0.05 0.21 0.33 0.00 0.37 0.00 0.00 175.52 176.48 3dci h ALA 194 N 0.95 1.10 -0.97 6.16 0.00 -1.21 -2.54 119.26 122.75 3dci h ALA 194 Ca 0.10 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.96 3dci h ALA 194 Cb 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3dci h ALA 194 CO -0.01 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.51 3dci h ALA 195 N 1.23 1.61 -0.33 0.00 0.00 -1.02 -1.63 119.26 119.12 3dci h ALA 195 Ca 0.26 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3dci h ALA 195 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dci h ALA 195 CO -0.02 0.14 -0.17 0.82 0.00 0.00 0.00 179.25 180.02 3dci h ILE 196 N 0.91 1.29 -0.71 0.00 2.04 -1.21 -2.07 117.51 117.76 3dci h ILE 196 Ca 0.48 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3dci h ILE 196 Cb 0.55 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3dci h ILE 196 CO -0.25 0.42 0.40 1.23 0.00 0.00 0.00 178.15 179.95 3dci h GLY 197 N 0.46 1.04 0.73 5.37 0.00 -1.20 -0.75 103.07 108.72 3dci h GLY 197 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3dci h GLY 197 CO 0.05 0.17 -0.15 3.21 0.00 0.00 0.00 176.54 179.83 3dci h ARG 198 N 0.74 0.34 -0.07 4.80 3.08 -1.29 -3.14 114.38 118.84 3dci h ARG 198 Ca 0.32 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3dci h ARG 198 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3dci h ARG 198 CO -0.18 0.74 -0.18 0.00 -1.07 0.00 0.00 179.97 179.27 3dci h ALA 199 N 0.59 1.56 0.00 0.04 0.00 -1.23 -2.56 119.26 117.67 3dci h ALA 199 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3dci h ALA 199 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3dci h ALA 199 CO 0.04 0.32 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 3dci h LEU 200 N 0.11 0.00 -0.60 0.00 3.38 -1.09 -3.29 115.31 113.82 3dci h LEU 200 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dci h LEU 200 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3dci h LEU 200 CO 0.03 0.00 0.30 0.00 0.09 0.00 0.00 178.44 178.85 3dci h ALA 201 N 2.13 0.77 0.86 1.53 0.00 -1.44 -1.12 119.26 122.00 3dci h ALA 201 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3dci h ALA 201 Cb 0.47 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dci h ALA 201 CO 0.00 0.33 -0.41 0.00 0.00 0.00 0.00 179.25 179.17 3dci h ALA 202 N 1.13 -1.16 -0.50 0.00 0.00 -1.74 -0.04 119.26 116.94 3dci h ALA 202 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dci h ALA 202 Cb 0.11 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3dci h ALA 202 CO -0.03 -1.14 0.17 -1.00 0.00 0.00 0.00 179.25 177.26 3dci h PRO 203 N -1.18 0.73 -0.39 0.00 0.13 -1.74 -2.00 132.00 127.56 3dci h PRO 203 Ca -0.12 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 3dci h PRO 203 Cb 0.89 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 3dci h PRO 203 CO 0.19 0.63 0.20 0.28 -0.23 0.00 0.00 178.00 179.07 3dci h VAL 204 N 0.72 1.16 -0.64 1.56 2.07 -1.05 0.13 116.25 120.21 3dci h VAL 204 Ca 0.17 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3dci h VAL 204 Cb 0.19 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3dci h VAL 204 CO -0.01 0.17 0.33 0.03 0.02 0.00 0.00 177.57 178.11 3dci h ARG 205 N 0.50 0.59 -0.70 1.57 3.08 -0.84 -0.19 114.38 118.39 3dci h ARG 205 Ca 0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3dci h ARG 205 Cb 0.09 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3dci h ARG 205 CO -0.02 0.39 0.31 0.22 -1.07 0.00 0.00 179.97 179.81 3dci h ASP 206 N 0.61 0.93 -0.35 7.04 3.58 -0.98 -3.19 116.42 124.06 3dci h ASP 206 Ca 0.29 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 3dci h ASP 206 Cb 0.23 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3dci h ASP 206 CO -0.20 0.82 -0.09 0.40 -2.88 0.00 0.00 179.24 177.29 3dci h ILE 207 N 0.98 1.28 0.00 2.25 2.04 -0.24 -3.51 117.51 120.31 3dci h ILE 207 Ca 0.24 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3dci h ILE 207 Cb 0.16 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3dci h ILE 207 CO -0.03 0.38 0.00 0.18 0.00 0.00 0.00 178.15 178.68