#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 1.61 -0.04 -0.18 -4.23 -1.26 -0.88 115.64 110.67 3dci s THR 3 Ca 0.00 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3dci s THR 3 Cb 0.00 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.50 3dci s THR 3 CO 0.00 0.38 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.70 3dci s VAL 4 N -0.57 0.69 -0.23 2.29 1.01 0.31 -1.00 120.40 122.90 3dci s VAL 4 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3dci s VAL 4 Cb -0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 3dci s VAL 4 CO -0.00 0.24 0.15 -0.22 0.00 0.00 0.00 175.10 175.27 3dci s LEU 5 N 0.51 4.12 -0.47 3.92 2.96 -0.28 0.09 118.68 129.54 3dci s LEU 5 Ca -0.08 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.88 3dci s LEU 5 Cb -0.11 -2.10 0.12 0.00 0.50 0.00 0.00 46.19 44.60 3dci s LEU 5 CO 0.01 0.08 0.32 0.00 -1.32 0.00 0.00 176.35 175.44 3dci s ALA 6 N 0.94 3.36 -0.23 5.97 0.00 -0.23 -0.17 121.76 131.41 3dci s ALA 6 Ca 0.07 -2.58 -0.04 0.00 0.00 0.00 0.00 51.96 49.41 3dci s ALA 6 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 3dci s ALA 6 CO 0.03 -1.90 -0.02 0.12 0.00 0.00 0.00 175.76 173.99 3dci s PHE 7 N 1.23 2.98 0.00 0.00 5.36 -0.08 0.13 117.98 127.59 3dci s PHE 7 Ca 0.07 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 3dci s PHE 7 Cb -0.25 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3dci s PHE 7 CO -0.02 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.64 3dci n GLY 8 N 4.82 2.82 0.00 13.12 0.00 -0.27 -4.19 105.19 121.50 3dci n GLY 8 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.51 0.32 1.61 5.68 -1.26 -1.72 116.55 121.69 3dci n ASP 9 Ca 0.00 0.00 0.21 0.00 -0.50 0.00 0.00 54.79 54.50 3dci n ASP 9 Cb 0.00 0.00 1.08 0.00 -1.14 0.00 0.00 41.12 41.06 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 0.24 -1.12 4.64 -1.86 -0.11 113.55 115.35 3dci h SER 10 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 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 0.01 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.61 3dci h LEU 11 N 0.00 0.07 0.14 5.97 3.38 -1.92 0.14 115.31 123.09 3dci h LEU 11 Ca -0.00 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 3dci h LEU 11 Cb 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dci h LEU 11 CO 0.00 0.36 -1.58 0.74 0.09 0.00 0.00 178.44 178.04 3dci h THR 12 N 0.07 0.95 -0.92 0.22 2.02 -1.41 -3.31 112.91 110.53 3dci h THR 12 Ca 0.01 -2.42 0.10 0.00 0.77 0.00 0.00 66.41 64.87 3dci h THR 12 Cb 0.54 2.70 -0.08 0.00 -1.74 0.00 0.00 68.15 69.57 3dci h THR 12 CO 0.04 0.77 0.56 -0.25 0.37 0.00 0.00 175.52 177.01 3dci h TRP 13 N -0.15 1.02 0.00 3.16 7.01 -1.22 -3.43 115.95 122.34 3dci h TRP 13 Ca -0.33 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.70 3dci h TRP 13 Cb 1.89 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 28.63 3dci h TRP 13 CO 0.11 0.43 0.00 0.41 -2.79 0.00 0.00 178.44 176.60 3dci n GLY 14 N -1.34 0.72 3.69 2.65 0.00 0.39 -4.71 105.19 106.59 3dci n GLY 14 Ca 0.16 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.42 3.43 0.10 4.61 0.00 -0.51 0.14 121.76 128.10 3dci s ALA 15 Ca 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 3dci s ALA 15 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3dci s ALA 15 CO 0.00 -0.65 1.45 0.34 0.00 0.00 0.00 175.76 176.90 3dci s ASP 16 N 1.21 6.77 0.27 0.00 2.15 0.29 -4.33 116.67 123.03 3dci s ASP 16 Ca 0.51 2.35 -0.01 0.00 0.43 0.00 0.00 52.55 55.84 3dci s ASP 16 Cb -0.20 -2.58 0.53 0.00 -0.30 0.00 0.00 42.92 40.37 3dci s ASP 16 CO 0.19 -0.71 1.78 -0.65 -0.17 0.00 0.00 175.17 175.61 3dci h PRO 17 N 7.13 0.70 -0.03 4.34 0.11 -1.90 0.14 132.00 142.49 3dci h PRO 17 Ca -0.42 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3dci h PRO 17 Cb 1.20 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.16 3dci h PRO 17 CO 0.89 0.47 -0.40 0.00 -0.21 0.00 0.00 178.00 178.74 3dci h ALA 18 N 1.55 0.09 0.00 -0.75 0.00 -1.92 -3.40 119.26 114.83 3dci h ALA 18 Ca 0.47 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3dci h ALA 18 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3dci h ALA 18 CO -0.33 0.22 -1.70 0.25 0.00 0.00 0.00 179.25 177.70 3dci n THR 19 N -4.37 0.18 -0.69 0.00 -2.24 -1.20 -4.99 114.28 100.97 3dci n THR 19 Ca -0.09 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3dci n THR 19 Cb 0.56 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3dci n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dci n GLY 20 N 1.79 1.23 3.88 3.38 0.00 0.48 -4.98 105.19 110.97 3dci n GLY 20 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 3.25 0.15 0.99 1.43 -1.26 -4.43 118.68 118.82 3dci s LEU 21 Ca 0.00 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 3dci s LEU 21 Cb 0.00 -4.29 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 3dci s LEU 21 CO 0.00 -0.89 1.11 -0.60 0.23 0.00 0.00 176.35 176.21 3dci s ARG 22 N -5.13 4.56 0.64 1.70 3.52 -1.26 -0.54 118.95 122.44 3dci s ARG 22 Ca 0.54 1.72 -0.18 0.00 -0.13 0.00 0.00 55.73 57.69 3dci s ARG 22 Cb -0.11 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3dci s ARG 22 CO 0.52 0.01 0.96 0.72 -0.81 0.00 0.00 175.30 176.71 3dci n HIS 23 N 2.68 0.78 -1.84 5.12 8.25 0.12 -4.85 115.22 125.47 3dci n HIS 23 Ca 0.04 0.42 -0.37 0.00 -0.26 0.00 0.00 57.72 57.55 3dci n HIS 23 Cb 0.46 -2.12 0.06 0.00 1.12 0.00 0.00 29.99 29.51 3dci n HIS 23 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3dci s PRO 24 N -2.92 2.70 0.31 -0.41 0.04 -1.26 -4.82 135.00 128.64 3dci s PRO 24 Ca 0.76 1.97 0.08 0.00 0.04 0.00 0.00 61.00 63.85 3dci s PRO 24 Cb -0.39 -1.88 0.82 0.00 0.04 0.00 0.00 34.50 33.09 3dci s PRO 24 CO 0.47 -1.46 1.75 -0.24 0.04 0.00 0.00 177.00 177.56 3dci h VAL 25 N 0.66 0.61 0.00 -0.36 3.04 -1.97 0.22 116.25 118.45 3dci h VAL 25 Ca -0.51 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3dci h VAL 25 Cb 1.32 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3dci h VAL 25 CO 0.54 0.12 0.00 -1.84 -1.01 0.00 0.00 177.57 175.38 3dci n GLU 26 N -4.82 0.14 -0.15 4.17 0.00 -1.26 -1.99 120.64 116.73 3dci n GLU 26 Ca 0.25 0.18 0.05 0.00 0.00 0.00 0.00 57.16 57.64 3dci n GLU 26 Cb 0.67 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.74 3dci n GLU 26 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3dci n HIS 27 N -1.36 0.38 -3.23 -1.84 8.25 0.76 -4.64 115.22 113.54 3dci n HIS 27 Ca 0.06 -0.48 -0.39 0.00 -0.26 0.00 0.00 57.72 56.65 3dci n HIS 27 Cb 0.14 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.99 4.27 0.23 -0.41 0.52 -0.84 -3.43 118.95 118.29 3dci s ARG 28 Ca 0.20 0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 56.09 3dci s ARG 28 Cb 0.10 -3.27 0.20 0.00 0.52 0.00 0.00 34.95 32.50 3dci s ARG 28 CO 0.14 0.55 1.90 0.11 0.02 0.00 0.00 175.30 178.01 3dci h TRP 29 N 4.88 1.09 -0.69 -0.53 5.08 -1.82 -0.75 115.95 123.20 3dci h TRP 29 Ca -0.48 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 3dci h TRP 29 Cb 1.21 -0.37 -0.03 0.00 -3.00 0.00 0.00 29.16 26.97 3dci h TRP 29 CO 0.67 0.69 0.38 -1.35 -1.28 0.00 0.00 178.44 177.54 3dci h PRO 30 N 1.18 0.97 -0.23 0.12 0.11 -1.92 0.62 132.00 132.85 3dci h PRO 30 Ca 0.32 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 3dci h PRO 30 Cb -0.14 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.78 3dci h PRO 30 CO -0.07 0.73 0.03 0.22 -0.21 0.00 0.00 178.00 178.70 3dci h ASP 31 N 0.95 0.36 -0.94 -2.05 3.58 -1.73 -1.51 116.42 115.09 3dci h ASP 31 Ca 0.24 -0.26 0.07 0.00 0.42 0.00 0.00 57.03 57.50 3dci h ASP 31 Cb 0.04 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 3dci h ASP 31 CO -0.04 0.53 0.60 0.58 -2.88 0.00 0.00 179.24 178.03 3dci h VAL 32 N 0.18 1.05 -0.28 2.25 2.07 -1.03 -1.09 116.25 119.39 3dci h VAL 32 Ca 0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3dci h VAL 32 Cb 0.33 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3dci h VAL 32 CO 0.00 0.20 0.12 0.25 0.02 0.00 0.00 177.57 178.16 3dci h LEU 33 N 1.07 0.38 -0.61 2.57 5.85 -0.62 -1.32 115.31 122.63 3dci h LEU 33 Ca 0.41 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3dci h LEU 33 Cb 0.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3dci h LEU 33 CO -0.18 0.43 0.40 -0.08 -0.34 0.00 0.00 178.44 178.67 3dci h GLU 34 N 0.31 0.80 -0.91 1.25 4.81 -0.93 -1.07 114.58 118.84 3dci h GLU 34 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3dci h GLU 34 Cb 0.16 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3dci h GLU 34 CO -0.01 0.53 0.57 0.00 -0.73 0.00 0.00 179.01 179.37 3dci h ALA 35 N 1.23 1.15 -0.08 2.92 0.00 -0.94 -2.48 119.26 121.06 3dci h ALA 35 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3dci h ALA 35 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 3dci h ALA 35 CO -0.05 0.58 -0.41 0.93 0.00 0.00 0.00 179.25 180.31 3dci h GLU 36 N 1.24 0.18 0.00 0.00 4.39 -0.67 -2.28 114.58 117.44 3dci h GLU 36 Ca 0.33 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3dci h GLU 36 Cb -0.10 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3dci h GLU 36 CO -0.07 0.56 0.00 1.28 -1.16 0.00 0.00 179.01 179.62 3dci n LEU 37 N -4.03 0.02 -3.83 1.33 4.77 -0.46 -4.90 117.00 109.90 3dci n LEU 37 Ca -0.02 0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 3dci n LEU 37 Cb 0.47 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3dci n LEU 37 CO 0.41 -0.20 0.04 0.00 -1.33 0.00 0.00 177.39 176.30 3dci n ALA 38 N -1.51 -1.57 -0.64 -1.18 0.00 -0.86 -1.49 120.51 113.26 3dci n ALA 38 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3dci n ALA 38 Cb 0.21 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.16 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 -1.67 0.79 0.18 0.00 0.00 -1.26 -4.92 105.19 98.32 3dci n GLY 39 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 3.41 0.00 -3.03 1.61 3.64 -1.61 -3.46 116.57 117.13 3dci h LYS 40 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3dci h LYS 40 Cb 0.00 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.62 3dci h LYS 40 CO 0.00 0.40 -0.28 0.00 -2.27 0.00 0.00 179.45 177.30 3dci s ALA 41 N -3.88 -0.78 -0.17 5.00 0.00 -1.26 -0.95 121.76 119.72 3dci s ALA 41 Ca -0.02 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3dci s ALA 41 Cb 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3dci s ALA 41 CO 0.71 -0.25 0.07 0.21 0.00 0.00 0.00 175.76 176.50 3dci s LYS 42 N -1.21 3.87 -0.18 0.00 2.20 -0.05 -4.89 119.74 119.48 3dci s LYS 42 Ca -0.13 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 3dci s LYS 42 Cb -0.05 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3dci s LYS 42 CO 0.04 0.37 -0.10 0.08 -0.36 0.00 0.00 175.35 175.37 3dci s VAL 43 N 0.12 3.05 -0.37 4.02 1.01 -1.26 -0.53 120.40 126.44 3dci s VAL 43 Ca 0.06 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 3dci s VAL 43 Cb -0.12 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 3dci s VAL 43 CO 0.00 0.48 0.37 -1.00 0.00 0.00 0.00 175.10 174.95 3dci s HIS 44 N 0.97 3.20 0.09 5.22 0.09 0.11 -4.93 115.29 120.04 3dci s HIS 44 Ca -0.01 -0.18 -0.30 0.00 -0.00 0.00 0.00 55.06 54.56 3dci s HIS 44 Cb -0.15 -2.71 -0.05 0.00 -0.00 0.00 0.00 32.58 29.67 3dci s HIS 44 CO -0.01 -0.51 0.99 -1.25 -0.00 0.00 0.00 174.74 173.96 3dci s PRO 45 N 1.99 4.65 -0.41 8.40 0.04 -1.26 -1.07 135.00 147.34 3dci s PRO 45 Ca 0.11 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.69 3dci s PRO 45 Cb -0.17 -3.39 0.21 0.00 0.04 0.00 0.00 34.50 31.19 3dci s PRO 45 CO 0.12 0.12 0.45 0.39 0.04 0.00 0.00 177.00 178.12 3dci n GLU 46 N 3.06 0.44 -3.91 4.56 -0.58 0.12 -4.94 120.64 119.40 3dci n GLU 46 Ca 0.03 -3.10 -0.35 0.00 -0.42 0.00 0.00 57.16 53.33 3dci n GLU 46 Cb 0.49 -1.46 -0.14 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 -0.50 1.62 -0.16 0.62 0.00 -1.26 -1.11 107.32 106.54 3dci s GLY 47 Ca 0.34 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3dci s GLY 47 CO -0.16 0.46 -0.19 -2.27 0.00 0.00 0.00 173.10 170.94 3dci s LEU 48 N 1.46 1.99 0.22 0.66 0.20 -0.70 -4.20 118.68 118.32 3dci s LEU 48 Ca 0.05 -0.59 -0.32 0.00 0.69 0.00 0.00 54.13 53.96 3dci s LEU 48 Cb -0.15 -1.38 -0.13 0.00 -0.43 0.00 0.00 46.19 44.11 3dci s LEU 48 CO -0.03 0.01 1.60 0.61 -0.29 0.00 0.00 176.35 178.25 3dci n GLY 49 N 4.50 1.25 1.92 7.98 0.00 -1.26 -1.74 105.19 117.85 3dci n GLY 49 Ca -0.20 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 3.09 1.34 3.73 -0.02 0.00 -1.26 -4.85 105.19 107.22 3dci n GLY 50 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 4.16 0.47 1.61 3.52 -0.71 -4.87 118.95 122.77 3dci s ARG 51 Ca 0.00 2.50 0.08 0.00 -0.13 0.00 0.00 55.73 58.18 3dci s ARG 51 Cb 0.00 -3.09 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 3dci s ARG 51 CO 0.00 -0.65 0.57 0.95 -0.81 0.00 0.00 175.30 175.36 3dci s THR 52 N 0.76 2.55 0.02 4.11 -4.23 -0.29 -4.44 115.64 114.12 3dci s THR 52 Ca 0.69 -1.13 -0.25 0.00 -1.18 0.00 0.00 61.69 59.82 3dci s THR 52 Cb -0.47 -2.68 -0.17 0.00 1.34 0.00 0.00 72.50 70.52 3dci s THR 52 CO 0.37 0.00 1.32 0.71 -0.54 0.00 0.00 174.62 176.47 3dci h THR 53 N 0.62 0.83 -0.05 3.99 1.35 -1.92 -1.36 112.91 116.37 3dci h THR 53 Ca -0.37 -0.59 -0.16 0.00 -0.55 0.00 0.00 66.41 64.73 3dci h THR 53 Cb 1.28 1.16 -0.22 0.00 -1.73 0.00 0.00 68.15 68.65 3dci h THR 53 CO 0.48 0.13 -0.53 0.00 -0.25 0.00 0.00 175.52 175.35 3dci s TYR 55 N -0.38 2.10 0.38 0.00 2.02 -1.26 -4.89 117.35 115.32 3dci s TYR 55 Ca 0.12 -0.83 -0.27 0.00 -0.37 0.00 0.00 57.07 55.72 3dci s TYR 55 Cb 0.22 -1.44 -0.09 0.00 -0.40 0.00 0.00 41.96 40.24 3dci s TYR 55 CO -0.07 -0.36 1.33 -0.51 -1.57 0.00 0.00 175.55 174.37 3dci s ASP 56 N 0.47 6.44 -0.26 2.29 1.01 -1.26 -3.82 116.67 121.55 3dci s ASP 56 Ca -0.17 2.73 -0.03 0.00 0.71 0.00 0.00 52.55 55.79 3dci s ASP 56 Cb -0.17 -2.65 0.14 0.00 1.01 0.00 0.00 42.92 41.26 3dci s ASP 56 CO 0.07 -0.77 0.45 -0.62 0.21 0.00 0.00 175.17 174.51 3dci s ASP 57 N -0.58 -0.30 -0.16 0.27 -1.08 -1.26 -4.96 116.67 108.60 3dci s ASP 57 Ca 0.54 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 53.27 3dci s ASP 57 Cb -0.40 1.47 0.71 0.00 -1.46 0.00 0.00 42.92 43.24 3dci s ASP 57 CO 0.52 -0.28 1.63 1.41 0.52 0.00 0.00 175.17 178.97 3dci n HIS 58 N 5.39 1.57 1.61 -5.34 8.25 -1.26 -4.03 115.22 121.41 3dci n HIS 58 Ca -0.04 -0.68 0.15 0.00 -0.26 0.00 0.00 57.72 56.89 3dci n HIS 58 Cb 0.50 -0.33 0.79 0.00 1.12 0.00 0.00 29.99 32.07 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 0.72 2.59 -4.34 -1.41 0.00 -1.26 -4.88 120.51 111.94 3dci n ALA 59 Ca 0.25 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 3dci n ALA 59 Cb 0.97 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 1.19 3.18 0.00 0.00 0.00 -1.26 -5.04 105.19 103.26 3dci n GLY 60 Ca 0.17 -2.34 0.14 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 -1.51 0.21 -3.96 1.61 -0.04 -1.26 -4.87 135.00 125.18 3dci n PRO 61 Ca -0.12 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 3dci n PRO 61 Cb 0.63 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.78 0.04 0.12 0.55 0.00 -1.26 -5.13 121.76 113.30 3dci s ALA 62 Ca 0.20 -0.65 -0.35 0.00 0.00 0.00 0.00 51.96 51.16 3dci s ALA 62 Cb 0.19 0.24 -0.16 0.00 0.00 0.00 0.00 23.12 23.39 3dci s ALA 62 CO 0.47 -0.30 1.41 0.00 0.00 0.00 0.00 175.76 177.34 3dci n ARG 64 N 2.75 1.25 -2.14 0.00 1.74 -1.26 -4.93 116.66 114.06 3dci n ARG 64 Ca 0.17 -1.47 -0.43 0.00 -0.77 0.00 0.00 57.85 55.36 3dci n ARG 64 Cb 0.23 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.12 6.02 0.29 0.55 3.84 -1.25 -1.14 114.94 122.12 3dci s ASN 65 Ca 0.18 1.02 -0.02 0.00 0.21 0.00 0.00 52.86 54.26 3dci s ASN 65 Cb 0.12 -2.53 0.41 0.00 -0.55 0.00 0.00 41.25 38.70 3dci s ASN 65 CO 0.18 -1.66 1.87 1.23 -2.79 0.00 0.00 177.10 175.93 3dci h GLY 66 N 13.31 0.99 0.93 1.21 0.00 -1.14 -2.60 103.07 115.76 3dci h GLY 66 Ca -0.31 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3dci h GLY 66 CO 1.07 0.47 0.14 0.00 0.00 0.00 0.00 176.54 178.22 3dci h ALA 67 N 1.39 0.46 -0.51 3.60 0.00 -1.46 0.27 119.26 123.00 3dci h ALA 67 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3dci h ALA 67 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dci h ALA 67 CO -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 3dci h ARG 68 N 0.42 0.92 -0.01 0.00 2.47 -1.86 -2.25 114.38 114.07 3dci h ARG 68 Ca 0.12 -0.30 -0.12 0.00 -1.26 0.00 0.00 59.98 58.41 3dci h ARG 68 Cb 0.20 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 3dci h ARG 68 CO -0.01 0.95 -0.56 0.00 0.56 0.00 0.00 179.97 180.91 3dci h ALA 69 N 0.93 1.07 -0.44 0.04 0.00 -1.36 -2.89 119.26 116.60 3dci h ALA 69 Ca 0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3dci h ALA 69 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dci h ALA 69 CO 0.03 0.70 0.14 1.25 0.00 0.00 0.00 179.25 181.37 3dci h LEU 70 N 0.01 0.64 -0.69 0.00 5.85 -0.21 -0.30 115.31 120.62 3dci h LEU 70 Ca -0.01 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3dci h LEU 70 Cb 0.99 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3dci h LEU 70 CO 0.07 0.67 0.41 -0.33 -0.34 0.00 0.00 178.44 178.93 3dci h GLU 71 N 0.58 0.75 -0.39 1.25 5.08 -1.28 -0.08 114.58 120.48 3dci h GLU 71 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3dci h GLU 71 Cb 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3dci h GLU 71 CO -0.01 0.49 0.23 0.28 -1.00 0.00 0.00 179.01 179.01 3dci h VAL 72 N 0.77 1.13 -0.47 3.13 2.07 -1.28 -2.26 116.25 119.33 3dci h VAL 72 Ca 0.29 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3dci h VAL 72 Cb 0.12 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3dci h VAL 72 CO -0.15 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.57 3dci h ALA 73 N 1.10 1.11 -0.38 1.67 0.00 -0.45 -0.73 119.26 121.57 3dci h ALA 73 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dci h ALA 73 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dci h ALA 73 CO -0.03 0.57 0.17 -0.07 0.00 0.00 0.00 179.25 179.89 3dci h LEU 74 N 0.73 0.51 -0.35 0.00 3.38 -0.93 -1.83 115.31 116.84 3dci h LEU 74 Ca 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dci h LEU 74 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3dci h LEU 74 CO 0.02 0.52 -0.05 -1.28 0.09 0.00 0.00 178.44 177.74 3dci h SER 75 N 0.48 0.64 -0.40 -0.43 0.87 -1.10 -3.08 113.55 110.53 3dci h SER 75 Ca 0.13 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 3dci h SER 75 Cb 0.15 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3dci h SER 75 CO -0.01 0.83 0.20 0.00 -0.53 0.00 0.00 176.83 177.31 3dci n HIS 77 N -4.38 3.73 -1.50 0.00 8.25 -0.69 -5.09 115.22 115.53 3dci n HIS 77 Ca 0.03 -4.06 -0.47 0.00 -0.26 0.00 0.00 57.72 52.96 3dci n HIS 77 Cb 0.13 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.30 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 1.87 0.69 -5.09 -0.41 -0.04 -1.26 -5.01 135.00 125.75 3dci n PRO 79 Ca 0.23 0.24 -0.32 0.00 -0.04 0.00 0.00 63.50 63.61 3dci n PRO 79 Cb 0.37 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 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 1.56 2.38 0.05 1.53 1.43 -1.26 -4.82 118.68 119.55 3dci s LEU 80 Ca 0.64 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3dci s LEU 80 Cb -0.84 -1.46 -0.25 0.00 0.03 0.00 0.00 46.19 43.67 3dci s LEU 80 CO 0.57 0.29 1.05 0.44 0.23 0.00 0.00 176.35 178.93 3dci h ASP 81 N 5.74 0.25 -4.21 2.29 3.32 -1.43 -3.32 116.42 119.05 3dci h ASP 81 Ca -0.39 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.25 3dci h ASP 81 Cb 1.16 -0.08 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 3dci h ASP 81 CO 0.49 1.25 -0.18 -0.22 -1.72 0.00 0.00 179.24 178.85 3dci s LEU 82 N -6.86 0.35 -0.12 1.55 2.96 -1.05 -0.91 118.68 114.59 3dci s LEU 82 Ca -0.04 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3dci s LEU 82 Cb 0.08 1.54 -0.01 0.00 0.50 0.00 0.00 46.19 48.31 3dci s LEU 82 CO 0.85 -0.25 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.77 3dci s VAL 83 N -0.20 2.64 -0.15 1.68 1.01 0.03 -1.12 120.40 124.29 3dci s VAL 83 Ca -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3dci s VAL 83 Cb -0.03 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3dci s VAL 83 CO 0.02 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.91 3dci s ILE 84 N 0.39 3.08 0.48 2.22 1.01 0.77 -0.59 121.20 128.56 3dci s ILE 84 Ca -0.13 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3dci s ILE 84 Cb -0.17 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3dci s ILE 84 CO 0.06 0.51 0.07 -0.38 0.00 0.00 0.00 174.94 175.20 3dci n ILE 85 N 3.81 0.00 0.00 2.92 5.41 -0.60 -0.90 119.36 129.99 3dci n ILE 85 Ca -0.18 -2.48 0.00 0.00 1.00 0.00 0.00 62.75 61.09 3dci n ILE 85 Cb 0.52 0.67 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 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 -1.26 -0.82 117.00 121.08 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 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3dci n LEU 87 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3dci n GLY 88 N -1.40 1.32 0.28 -0.72 0.00 -1.26 -4.57 105.19 98.83 3dci n GLY 88 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.20 0.00 2.61 2.02 -1.97 -2.52 112.91 114.26 3dci h THR 89 Ca 0.00 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 3dci h THR 89 Cb 0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3dci h THR 89 CO 0.00 0.28 -0.85 0.78 0.37 0.00 0.00 175.52 176.10 3dci h ASN 90 N 0.56 0.00 0.82 4.18 2.35 -1.92 -3.31 115.58 118.26 3dci h ASN 90 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3dci h ASN 90 Cb 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3dci h ASN 90 CO 0.01 0.33 -0.09 0.44 -1.65 0.00 0.00 177.43 176.47 3dci h ASP 91 N 0.00 0.00 -0.18 5.81 5.19 -1.75 -1.43 116.42 124.06 3dci h ASP 91 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3dci h ASP 91 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3dci h ASP 91 CO 0.03 0.09 0.00 2.30 -3.12 0.00 0.00 179.24 178.54 3dci n ILE 92 N -3.26 0.23 -1.82 0.35 -5.35 -1.14 -4.32 119.36 104.06 3dci n ILE 92 Ca -0.00 -0.38 -0.38 0.00 -0.27 0.00 0.00 62.75 61.72 3dci n ILE 92 Cb 0.32 0.43 0.05 0.00 -1.74 0.00 0.00 39.64 38.69 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 -1.77 2.98 0.38 6.28 1.02 -0.54 -3.90 119.74 124.18 3dci s LYS 93 Ca 0.33 2.12 0.14 0.00 0.02 0.00 0.00 55.97 58.58 3dci s LYS 93 Cb 0.18 -2.11 0.97 0.00 -0.52 0.00 0.00 37.83 36.34 3dci s LYS 93 CO 0.27 -1.28 1.81 -1.35 -0.92 0.00 0.00 175.35 173.88 3dci h PRO 94 N 1.16 0.52 0.00 -1.68 0.11 -1.81 -1.10 132.00 129.20 3dci h PRO 94 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3dci h PRO 94 Cb 1.31 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dci h PRO 94 CO 0.56 0.34 -0.06 -0.24 -0.21 0.00 0.00 178.00 178.39 3dci h VAL 95 N 0.53 0.72 -0.61 3.15 3.04 -1.93 -1.55 116.25 119.60 3dci h VAL 95 Ca 0.53 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 3dci h VAL 95 Cb 1.14 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3dci h VAL 95 CO -0.27 0.06 0.00 1.41 -1.01 0.00 0.00 177.57 177.76 3dci n HIS 96 N -3.99 1.40 0.00 3.17 8.25 -0.49 -4.93 115.22 118.63 3dci n HIS 96 Ca -0.03 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 3dci n HIS 96 Cb 0.15 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 0.98 2.07 2.33 -1.41 0.00 -0.58 -4.71 105.19 103.86 3dci n GLY 97 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.58 0.61 3.17 -0.02 0.00 -0.77 -4.91 105.19 102.69 3dci n GLY 98 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.60 0.88 0.30 1.61 0.52 -1.26 -4.75 118.95 114.64 3dci s ARG 99 Ca 0.00 -1.30 0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3dci s ARG 99 Cb 0.00 0.27 0.19 0.00 0.52 0.00 0.00 34.95 35.93 3dci s ARG 99 CO 0.00 -0.25 1.50 0.00 0.02 0.00 0.00 175.30 176.57 3dci h ALA 100 N 2.87 0.73 -0.79 2.13 0.00 -1.91 -3.32 119.26 118.96 3dci h ALA 100 Ca -0.34 -0.43 0.15 0.00 0.00 0.00 0.00 54.91 54.28 3dci h ALA 100 Cb 1.19 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 3dci h ALA 100 CO 0.59 0.60 0.34 0.93 0.00 0.00 0.00 179.25 181.70 3dci h GLU 101 N 0.00 0.47 -0.78 0.00 3.07 -1.96 -1.20 114.58 114.19 3dci h GLU 101 Ca -0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 3dci h GLU 101 Cb 1.29 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 3dci h GLU 101 CO 0.06 0.31 0.36 0.00 -1.40 0.00 0.00 179.01 178.35 3dci h ALA 102 N 1.56 1.18 0.05 3.43 0.00 -1.90 -0.27 119.26 123.32 3dci h ALA 102 Ca 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dci h ALA 102 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dci h ALA 102 CO -0.40 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 3dci h ALA 103 N 1.29 -0.07 -0.68 0.00 0.00 -1.44 0.22 119.26 118.59 3dci h ALA 103 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3dci h ALA 103 Cb 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dci h ALA 103 CO -0.03 -0.46 0.19 -0.24 0.00 0.00 0.00 179.25 178.70 3dci h VAL 104 N -0.23 1.26 -0.67 0.00 3.04 -1.25 -2.72 116.25 115.68 3dci h VAL 104 Ca -0.01 -0.92 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 3dci h VAL 104 Cb 0.20 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 30.01 3dci h VAL 104 CO 0.01 0.35 0.34 0.28 -1.01 0.00 0.00 177.57 177.54 3dci h SER 105 N 1.00 0.87 0.00 3.17 0.02 -1.03 -1.27 113.55 116.32 3dci h SER 105 Ca 0.22 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dci h SER 105 Cb 0.33 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3dci h SER 105 CO -0.00 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 3dci n GLY 106 N -1.00 0.58 2.47 -3.77 0.00 0.06 -2.37 105.19 101.16 3dci n GLY 106 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.78 0.00 -0.17 1.61 0.63 -0.48 -1.39 116.66 117.64 3dci n ARG 108 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3dci n ARG 108 Cb 0.14 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.06 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 0.74 -0.65 -0.14 9.65 -1.74 -0.51 114.38 121.72 3dci h ARG 109 Ca 0.00 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 3dci h ARG 109 Cb 0.00 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 3dci h ARG 109 CO 0.00 0.64 0.35 -0.07 2.80 0.00 0.00 179.97 183.68 3dci h LEU 110 N 0.67 0.82 -0.59 3.80 3.38 -1.53 -0.63 115.31 121.23 3dci h LEU 110 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dci h LEU 110 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3dci h LEU 110 CO -0.02 0.69 0.37 0.00 0.09 0.00 0.00 178.44 179.58 3dci h ALA 111 N 1.16 0.75 -0.77 1.53 0.00 -1.75 -1.34 119.26 118.85 3dci h ALA 111 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3dci h ALA 111 Cb 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3dci h ALA 111 CO -0.03 0.21 0.46 1.96 0.00 0.00 0.00 179.25 181.85 3dci h GLN 112 N 0.80 0.83 -0.27 0.00 4.20 -0.66 -1.04 115.11 118.99 3dci h GLN 112 Ca 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3dci h GLN 112 Cb -0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3dci h GLN 112 CO -0.04 0.55 0.14 0.82 -0.67 0.00 0.00 178.83 179.62 3dci h ILE 113 N 0.86 1.14 -0.66 2.54 2.04 -0.55 -1.57 117.51 121.32 3dci h ILE 113 Ca 0.33 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3dci h ILE 113 Cb 0.15 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3dci h ILE 113 CO -0.16 0.14 0.37 0.58 0.00 0.00 0.00 178.15 179.07 3dci h VAL 114 N 0.30 1.20 -0.78 1.67 2.07 -0.96 -1.65 116.25 118.11 3dci h VAL 114 Ca 0.09 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3dci h VAL 114 Cb 0.10 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3dci h VAL 114 CO -0.01 0.22 0.39 -0.33 0.02 0.00 0.00 177.57 177.86 3dci h GLU 115 N 0.90 1.11 -0.04 1.57 5.08 -0.94 -3.33 114.58 118.92 3dci h GLU 115 Ca 0.23 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dci h GLU 115 Cb 0.03 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3dci h GLU 115 CO -0.04 0.85 0.00 0.25 -1.00 0.00 0.00 179.01 179.07 3dci n THR 116 N -4.39 0.05 -1.68 1.13 -2.24 -0.61 -5.01 114.28 101.52 3dci n THR 116 Ca 0.07 -0.53 -0.37 0.00 -2.27 0.00 0.00 64.05 60.96 3dci n THR 116 Cb 0.12 1.28 0.07 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.28 2.04 -0.99 4.78 5.36 -0.64 -4.89 117.98 122.36 3dci s PHE 117 Ca 0.19 1.49 -0.21 0.00 -0.96 0.00 0.00 56.93 57.44 3dci s PHE 117 Cb 0.13 -3.69 0.08 0.00 -0.34 0.00 0.00 43.02 39.20 3dci s PHE 117 CO 0.20 -2.96 1.34 0.42 -1.46 0.00 0.00 175.22 172.75 3dci s ILE 118 N -1.44 4.21 0.53 3.12 -1.09 -1.26 -5.00 121.20 120.28 3dci s ILE 118 Ca 0.82 -1.06 -0.09 0.00 -2.23 0.00 0.00 60.65 58.08 3dci s ILE 118 Cb -0.37 -4.96 -0.05 0.00 -1.58 0.00 0.00 42.46 35.50 3dci s ILE 118 CO 0.41 -1.78 0.90 -0.31 -1.23 0.00 0.00 174.94 172.93 3dci s TYR 119 N 4.14 3.57 -0.29 3.97 2.02 -1.26 -5.02 117.35 124.48 3dci s TYR 119 Ca 0.41 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 3dci s TYR 119 Cb -0.02 -2.54 0.08 0.00 -0.40 0.00 0.00 41.96 39.08 3dci s TYR 119 CO -0.10 -0.43 -0.04 0.15 -1.57 0.00 0.00 175.55 173.56 3dci s LYS 120 N -4.73 1.85 0.75 -0.62 1.02 -1.26 -2.38 119.74 114.38 3dci s LYS 120 Ca 0.52 -1.50 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 3dci s LYS 120 Cb -0.11 -2.95 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3dci s LYS 120 CO 0.45 -0.72 1.09 -1.25 -0.92 0.00 0.00 175.35 174.00 3dci s PRO 121 N 1.07 2.46 0.55 -1.68 0.04 -1.26 -4.29 135.00 131.89 3dci s PRO 121 Ca -0.01 0.65 0.24 0.00 0.04 0.00 0.00 61.00 61.92 3dci s PRO 121 Cb -0.19 -1.96 1.55 0.00 0.04 0.00 0.00 34.50 33.93 3dci s PRO 121 CO -0.07 -1.36 2.18 0.00 0.04 0.00 0.00 177.00 177.79 3dci h ARG 122 N -0.90 0.00 -0.00 4.56 2.47 -1.87 -1.89 114.38 116.75 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 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3dci h ARG 122 CO 0.60 0.03 -0.20 -0.85 0.56 0.00 0.00 179.97 180.11 3dci n GLU 123 N -4.06 0.54 -1.08 0.04 0.00 -1.26 -4.42 120.64 110.39 3dci n GLU 123 Ca -0.03 -0.23 -0.30 0.00 0.00 0.00 0.00 57.16 56.60 3dci n GLU 123 Cb 0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.02 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 -1.03 6.49 -2.66 -1.84 0.00 -0.71 -4.90 120.51 115.86 3dci n ALA 124 Ca 0.12 -2.81 -0.42 0.00 0.00 0.00 0.00 53.44 50.32 3dci n ALA 124 Cb 0.31 -3.11 -0.03 0.00 0.00 0.00 0.00 19.45 16.62 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 2.38 4.75 0.64 0.00 1.01 -1.26 -4.55 120.40 123.38 3dci s VAL 125 Ca 0.60 1.86 -0.14 0.00 0.00 0.00 0.00 61.98 64.30 3dci s VAL 125 Cb 0.17 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3dci s VAL 125 CO -0.04 -0.11 1.07 -2.84 0.00 0.00 0.00 175.10 173.18 3dci s PRO 126 N 2.90 3.02 0.82 2.72 0.02 -1.25 -4.97 135.00 138.27 3dci s PRO 126 Ca 0.41 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.52 3dci s PRO 126 Cb -0.15 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.46 3dci s PRO 126 CO 0.08 -1.05 1.10 0.15 -0.33 0.00 0.00 177.00 176.95 3dci s LYS 127 N -4.33 1.89 -0.05 5.54 1.02 -0.09 -4.86 119.74 118.85 3dci s LYS 127 Ca 0.63 0.59 0.01 0.00 0.02 0.00 0.00 55.97 57.23 3dci s LYS 127 Cb -0.17 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3dci s LYS 127 CO 0.43 -1.74 -0.06 -1.17 -0.92 0.00 0.00 175.35 171.88 3dci s LEU 128 N -5.84 1.37 -0.26 3.17 2.96 -1.26 -0.79 118.68 118.03 3dci s LEU 128 Ca 0.61 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3dci s LEU 128 Cb -0.15 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.01 3dci s LEU 128 CO 0.54 -0.04 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.27 3dci s LEU 129 N 0.94 3.36 -0.20 -0.68 2.96 0.24 -1.85 118.68 123.45 3dci s LEU 129 Ca -0.10 -0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 3dci s LEU 129 Cb -0.15 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3dci s LEU 129 CO 0.00 -0.16 0.62 -0.63 -1.32 0.00 0.00 176.35 174.86 3dci s ILE 130 N 1.32 5.03 -0.19 6.68 1.01 0.26 -1.56 121.20 133.75 3dci s ILE 130 Ca -0.01 1.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.78 3dci s ILE 130 Cb -0.17 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 3dci s ILE 130 CO -0.03 0.11 -0.11 -0.69 0.00 0.00 0.00 174.94 174.22 3dci s VAL 131 N 1.91 2.91 -0.07 2.92 1.01 -0.00 -1.49 120.40 127.58 3dci s VAL 131 Ca 0.28 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3dci s VAL 131 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3dci s VAL 131 CO 0.10 0.48 1.17 0.00 0.00 0.00 0.00 175.10 176.85 3dci s ALA 132 N 1.17 3.49 0.70 5.51 0.00 -0.75 -4.02 121.76 127.87 3dci s ALA 132 Ca 0.02 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 3dci s ALA 132 Cb -0.14 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.49 3dci s ALA 132 CO -0.04 -0.75 1.10 -1.25 0.00 0.00 0.00 175.76 174.82 3dci s PRO 133 N 2.23 2.62 0.42 0.00 0.04 -1.26 -1.08 135.00 137.96 3dci s PRO 133 Ca 0.54 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 3dci s PRO 133 Cb -0.23 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3dci s PRO 133 CO 0.21 -1.37 1.45 -2.30 0.04 0.00 0.00 177.00 175.02 3dci n PRO 134 N -2.90 2.40 -1.27 0.56 -0.02 -1.26 -4.38 135.00 128.14 3dci n PRO 134 Ca 0.09 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 3dci n PRO 134 Cb 0.53 -2.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.48 3dci n PRO 134 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3dci s PRO 135 N -2.30 1.92 0.73 0.52 0.02 -1.26 -4.74 135.00 129.89 3dci s PRO 135 Ca 0.58 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 3dci s PRO 135 Cb -0.46 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.27 3dci s PRO 135 CO 0.60 -1.98 1.08 0.00 -0.33 0.00 0.00 177.00 176.38 3dci s VAL 137 N -2.85 0.62 0.11 0.00 -7.23 0.07 -4.82 120.40 106.30 3dci s VAL 137 Ca 0.61 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 3dci s VAL 137 Cb -0.17 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 3dci s VAL 137 CO 0.53 0.00 1.58 0.00 -0.31 0.00 0.00 175.10 176.90 3dci s ALA 138 N -3.54 3.71 0.86 1.32 0.00 -1.26 -3.55 121.76 119.30 3dci s ALA 138 Ca 0.35 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3dci s ALA 138 Cb 0.06 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3dci s ALA 138 CO 0.15 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3dci n GLY 139 N 3.83 -0.69 0.31 0.00 0.00 -0.85 -4.47 105.19 103.33 3dci n GLY 139 Ca 0.14 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 0.80 0.00 1.61 0.11 -1.79 -1.95 132.00 130.79 3dci h PRO 140 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3dci h PRO 140 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 3dci h PRO 140 CO 0.00 0.53 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 3dci n GLY 141 N -1.32 -1.41 0.00 -0.55 0.00 -1.26 -4.91 105.19 95.74 3dci n GLY 141 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.30 1.85 3.19 -0.02 0.00 -0.73 -5.10 105.19 105.68 3dci n GLY 142 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.03 1.11 0.86 1.61 0.41 -1.26 -4.59 118.70 116.81 3dci s GLU 143 Ca 0.00 -1.55 -0.11 0.00 -0.41 0.00 0.00 54.97 52.90 3dci s GLU 143 Cb 0.00 0.26 0.11 0.00 -1.78 0.00 0.00 34.13 32.72 3dci s GLU 143 CO 0.00 -0.35 1.10 -2.14 -0.49 0.00 0.00 175.26 173.38 3dci s PRO 144 N -4.12 1.56 0.68 0.39 0.02 -1.23 -2.00 135.00 130.30 3dci s PRO 144 Ca 0.33 1.12 -0.17 0.00 0.02 0.00 0.00 61.00 62.31 3dci s PRO 144 Cb 0.07 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.78 3dci s PRO 144 CO 0.08 -2.11 1.25 0.00 -0.33 0.00 0.00 177.00 175.88 3dci s ALA 145 N -2.84 2.28 -0.32 -1.55 0.00 -0.58 -3.84 121.76 114.91 3dci s ALA 145 Ca 0.63 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.64 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 0.57 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3dci n GLY 146 N 0.64 0.62 2.27 0.00 0.00 -1.26 -3.33 105.19 104.13 3dci n GLY 146 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.30 0.39 3.76 -0.02 0.00 -1.25 -4.34 105.19 101.43 3dci n GLY 147 Ca -0.03 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.67 3.27 -0.20 1.61 0.52 -1.21 -4.59 118.95 117.68 3dci s ARG 148 Ca 0.00 1.76 -0.06 0.00 -0.52 0.00 0.00 55.73 56.91 3dci s ARG 148 Cb 0.00 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3dci s ARG 148 CO 0.00 -0.95 0.03 0.34 0.02 0.00 0.00 175.30 174.74 3dci s ASP 149 N -1.58 5.12 0.09 0.23 2.15 -1.26 -4.20 116.67 117.22 3dci s ASP 149 Ca 0.73 -0.12 -0.22 0.00 0.43 0.00 0.00 52.55 53.37 3dci s ASP 149 Cb -0.28 -1.88 -0.12 0.00 -0.30 0.00 0.00 42.92 40.33 3dci s ASP 149 CO 0.32 0.08 1.69 0.40 -0.17 0.00 0.00 175.17 177.49 3dci h ILE 150 N 5.25 1.08 -0.92 4.11 2.04 -1.95 -2.22 117.51 124.90 3dci h ILE 150 Ca -0.36 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.45 3dci h ILE 150 Cb 1.18 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 38.23 3dci h ILE 150 CO 0.63 0.07 0.53 -0.08 0.00 0.00 0.00 178.15 179.29 3dci h GLU 151 N 0.05 0.71 -0.30 2.37 4.81 -1.94 -2.15 114.58 118.12 3dci h GLU 151 Ca 0.03 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 3dci h GLU 151 Cb 0.07 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3dci h GLU 151 CO -0.00 0.47 -0.52 1.96 -0.73 0.00 0.00 179.01 180.19 3dci h GLN 152 N 0.73 0.88 -1.99 1.92 1.08 -1.79 -3.17 115.11 112.77 3dci h GLN 152 Ca 0.51 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3dci h GLN 152 Cb 0.70 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 3dci h GLN 152 CO -0.35 1.18 0.00 -1.13 -0.95 0.00 0.00 178.83 177.58 3dci n SER 153 N -4.03 0.42 0.00 1.46 3.41 -0.81 -3.78 113.62 110.28 3dci n SER 153 Ca -0.04 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3dci n SER 153 Cb 0.61 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.87 0.00 -0.29 4.33 1.74 -1.20 -4.52 116.66 118.59 3dci n ARG 155 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 3dci n ARG 155 Cb 0.04 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.55 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 1.05 0.80 0.55 3.38 -1.91 -2.15 115.31 117.02 3dci h LEU 156 Ca 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3dci h LEU 156 Cb 0.00 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.49 3dci h LEU 156 CO 0.00 0.90 -0.38 0.00 0.09 0.00 0.00 178.44 179.05 3dci h ALA 157 N 1.19 -1.07 -0.78 1.53 0.00 -1.91 0.10 119.26 118.33 3dci h ALA 157 Ca 0.27 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dci h ALA 157 Cb 0.14 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3dci h ALA 157 CO -0.03 -1.10 0.51 -1.00 0.00 0.00 0.00 179.25 177.63 3dci h PRO 158 N -1.07 0.97 -0.32 0.00 0.13 -1.97 -0.61 132.00 129.14 3dci h PRO 158 Ca -0.11 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 3dci h PRO 158 Cb 0.82 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 3dci h PRO 158 CO 0.18 0.64 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.21 3dci h LEU 159 N 1.00 0.83 -0.56 1.56 3.38 -1.23 -2.25 115.31 118.04 3dci h LEU 159 Ca 0.30 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3dci h LEU 159 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3dci h LEU 159 CO -0.08 1.13 -0.37 1.88 0.09 0.00 0.00 178.44 181.09 3dci h TYR 160 N 0.54 0.89 -0.29 1.13 -1.99 -0.63 -1.06 116.97 115.56 3dci h TYR 160 Ca 0.05 -0.25 0.01 0.00 2.00 0.00 0.00 58.73 60.53 3dci h TYR 160 Cb 0.90 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 3dci h TYR 160 CO 0.07 1.01 0.18 -0.09 -0.00 0.00 0.00 178.16 179.32 3dci h ARG 161 N 0.62 0.35 -0.70 4.88 2.43 -1.08 0.10 114.38 120.99 3dci h ARG 161 Ca 0.06 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3dci h ARG 161 Cb 0.91 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3dci h ARG 161 CO 0.08 0.23 0.21 0.87 -1.51 0.00 0.00 179.97 179.85 3dci h LYS 162 N 0.36 1.09 -0.33 0.20 1.57 -1.33 -1.92 116.57 116.21 3dci h LYS 162 Ca 0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3dci h LYS 162 Cb -0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3dci h LYS 162 CO -0.04 0.94 0.17 1.25 -0.57 0.00 0.00 179.45 181.20 3dci h LEU 163 N 1.02 0.43 -0.61 2.94 5.85 -0.98 -1.41 115.31 122.55 3dci h LEU 163 Ca 0.22 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3dci h LEU 163 Cb 0.31 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3dci h LEU 163 CO -0.01 0.41 0.36 0.00 -0.34 0.00 0.00 178.44 178.87 3dci h ALA 164 N 1.03 0.78 -0.52 1.25 0.00 -0.61 -0.81 119.26 120.38 3dci h ALA 164 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dci h ALA 164 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dci h ALA 164 CO -0.02 0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.74 3dci h ALA 165 N 1.18 0.67 -0.37 0.00 0.00 -1.23 -0.00 119.26 119.51 3dci h ALA 165 Ca 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dci h ALA 165 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3dci h ALA 165 CO -0.04 0.25 0.18 1.49 0.00 0.00 0.00 179.25 181.13 3dci h GLU 166 N 0.70 0.36 -0.00 0.00 4.81 -0.77 -2.98 114.58 116.70 3dci h GLU 166 Ca 0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3dci h GLU 166 Cb 0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3dci h GLU 166 CO -0.02 0.24 -0.29 1.28 -0.73 0.00 0.00 179.01 179.49 3dci n LEU 167 N -4.94 0.40 -0.16 1.64 4.77 -0.35 -4.94 117.00 113.40 3dci n LEU 167 Ca 0.01 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3dci n LEU 167 Cb 0.09 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3dci n LEU 167 CO 0.30 0.09 -0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3dci n GLY 168 N 1.46 0.54 2.74 -0.72 0.00 -0.35 -5.07 105.19 103.79 3dci n GLY 168 Ca 0.08 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.56 0.14 -3.84 1.61 8.25 -0.16 -5.02 115.22 112.64 3dci n HIS 169 Ca -0.00 -1.80 -0.28 0.00 -0.26 0.00 0.00 57.72 55.38 3dci n HIS 169 Cb 0.50 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.21 3.49 0.02 4.41 3.76 -0.77 -4.38 115.29 119.60 3dci s HIS 170 Ca 0.10 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.29 3dci s HIS 170 Cb -0.01 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 3dci s HIS 170 CO 0.06 0.48 -0.12 0.12 -0.85 0.00 0.00 174.74 174.43 3dci s PHE 171 N -1.73 1.03 -0.04 1.40 5.36 -1.26 -0.57 117.98 122.16 3dci s PHE 171 Ca 0.36 -0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.03 3dci s PHE 171 Cb -0.11 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 41.96 3dci s PHE 171 CO 0.28 0.00 0.09 0.12 -1.46 0.00 0.00 175.22 174.26 3dci s PHE 172 N -0.63 -0.08 -0.50 10.12 5.36 -0.55 -4.93 117.98 126.76 3dci s PHE 172 Ca 0.01 0.32 -0.17 0.00 -0.96 0.00 0.00 56.93 56.13 3dci s PHE 172 Cb -0.06 -0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.57 3dci s PHE 172 CO 0.00 -0.12 0.53 0.34 -1.46 0.00 0.00 175.22 174.51 3dci s ASP 173 N 0.97 6.19 0.47 6.13 2.15 -1.26 -1.80 116.67 129.51 3dci s ASP 173 Ca -0.08 -1.15 0.24 0.00 0.43 0.00 0.00 52.55 52.00 3dci s ASP 173 Cb -0.10 -2.24 1.18 0.00 -0.30 0.00 0.00 42.92 41.45 3dci s ASP 173 CO -0.04 -0.80 1.96 0.00 -0.17 0.00 0.00 175.17 176.12 3dci h ALA 174 N 8.90 1.22 0.00 3.66 0.00 -1.41 -1.91 119.26 129.72 3dci h ALA 174 Ca -0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3dci h ALA 174 Cb 1.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dci h ALA 174 CO 0.94 0.24 -0.08 0.78 0.00 0.00 0.00 179.25 181.13 3dci h GLY 175 N 1.24 0.00 1.95 0.00 0.00 -1.75 -1.28 103.07 103.23 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 0.03 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 3dci n SER 176 N -3.66 0.00 -0.11 0.19 3.41 -0.72 -3.99 113.62 108.75 3dci n SER 176 Ca -0.02 0.44 -0.18 0.00 -0.26 0.00 0.00 58.87 58.84 3dci n SER 176 Cb 0.19 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 3dci n SER 176 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3dci n VAL 177 N -1.47 1.19 -4.00 -3.33 0.31 -0.52 -5.09 118.33 105.42 3dci n VAL 177 Ca 0.06 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 3dci n VAL 177 Cb 0.25 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 3dci n VAL 177 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dci s ALA 178 N -2.41 0.20 0.12 3.52 0.00 -0.97 -4.96 121.76 117.26 3dci s ALA 178 Ca -0.29 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 50.76 3dci s ALA 178 Cb 0.09 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 3dci s ALA 178 CO 0.44 -0.58 -0.24 -1.12 0.00 0.00 0.00 175.76 174.26 3dci s SER 179 N -2.97 2.93 0.58 0.00 0.01 -1.26 -4.33 113.70 108.65 3dci s SER 179 Ca 0.17 -0.73 -0.19 0.00 1.31 0.00 0.00 55.95 56.51 3dci s SER 179 Cb 0.05 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.04 3dci s SER 179 CO -0.02 0.11 0.89 0.00 0.41 0.00 0.00 173.24 174.64 3dci n ALA 180 N 0.94 -0.06 -2.24 1.44 0.00 -1.25 -4.76 120.51 114.58 3dci n ALA 180 Ca -0.18 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3dci n ALA 180 Cb 0.54 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.18 7.38 0.00 0.00 0.15 0.49 -4.84 113.70 115.70 3dci s SER 181 Ca 0.73 1.91 0.16 0.00 0.70 0.00 0.00 55.95 59.44 3dci s SER 181 Cb -0.44 -2.59 0.82 0.00 -1.71 0.00 0.00 66.02 62.10 3dci s SER 181 CO 0.49 -0.16 1.43 -0.81 1.20 0.00 0.00 173.24 175.39 3dci n PRO 182 N 2.81 0.27 -0.27 5.44 -0.04 -1.26 0.20 135.00 142.14 3dci n PRO 182 Ca 0.03 0.12 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 3dci n PRO 182 Cb 0.48 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.18 0.00 0.52 2.07 -1.92 -3.30 116.25 114.81 3dci h VAL 183 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3dci h VAL 183 Cb 0.12 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 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 -4.42 0.13 0.00 0.57 5.68 -1.13 -4.50 116.55 112.87 3dci n ASP 184 Ca 0.10 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 3dci n ASP 184 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.00 1.54 1.60 6.12 0.00 0.13 -1.53 105.19 113.05 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 0.01 -2.09 1.61 0.31 -1.24 -0.75 118.33 114.17 3dci n VAL 186 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 3dci n VAL 186 Cb 0.00 -0.90 0.11 0.00 -0.91 0.00 0.00 33.84 32.14 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 2.48 -0.09 3.52 3.76 -1.26 -4.71 115.29 116.99 3dci s HIS 187 Ca 0.00 0.42 0.02 0.00 -0.15 0.00 0.00 55.06 55.35 3dci s HIS 187 Cb 0.00 -3.48 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 3dci s HIS 187 CO 0.00 -1.83 -0.16 -0.51 -0.85 0.00 0.00 174.74 171.39 3dci s LEU 188 N -5.48 2.61 1.07 0.89 1.43 -1.26 -0.38 118.68 117.56 3dci s LEU 188 Ca 0.65 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 3dci s LEU 188 Cb -0.09 -1.55 0.23 0.00 0.03 0.00 0.00 46.19 44.81 3dci s LEU 188 CO 0.48 0.24 1.17 1.51 0.23 0.00 0.00 176.35 179.98 3dci s ASP 189 N -0.10 2.13 0.31 2.29 1.47 -1.26 -4.36 116.67 117.15 3dci s ASP 189 Ca -0.02 0.63 0.06 0.00 1.18 0.00 0.00 52.55 54.40 3dci s ASP 189 Cb -0.14 -0.90 0.50 0.00 -0.34 0.00 0.00 42.92 42.04 3dci s ASP 189 CO 0.04 -3.38 1.74 0.00 0.68 0.00 0.00 175.17 174.25 3dci h ALA 190 N -2.07 1.17 0.19 2.11 0.00 -1.94 -1.21 119.26 117.51 3dci h ALA 190 Ca -0.46 -0.37 -0.31 0.00 0.00 0.00 0.00 54.91 53.77 3dci h ALA 190 Cb 1.29 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dci h ALA 190 CO 0.42 0.54 -1.36 0.66 0.00 0.00 0.00 179.25 179.51 3dci h SER 191 N 0.24 0.68 -0.60 0.00 4.64 -1.92 -1.80 113.55 114.78 3dci h SER 191 Ca 0.03 -0.72 0.03 0.00 -0.47 0.00 0.00 61.79 60.66 3dci h SER 191 Cb 0.72 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3dci h SER 191 CO 0.05 1.56 0.37 0.00 -0.87 0.00 0.00 176.83 177.94 3dci h ALA 192 N 0.35 0.78 -0.24 5.18 0.00 -1.89 -0.70 119.26 122.73 3dci h ALA 192 Ca -0.20 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dci h ALA 192 Cb 2.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3dci h ALA 192 CO 0.24 0.11 0.10 1.15 0.00 0.00 0.00 179.25 180.86 3dci h THR 193 N 0.73 0.97 -0.68 0.00 2.02 -1.23 -2.62 112.91 112.11 3dci h THR 193 Ca 0.24 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 3dci h THR 193 Cb 0.02 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3dci h THR 193 CO -0.10 0.04 0.19 0.00 0.37 0.00 0.00 175.52 176.02 3dci h ALA 194 N 1.13 1.05 -0.74 6.16 0.00 -1.09 -2.57 119.26 123.21 3dci h ALA 194 Ca 0.10 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dci h ALA 194 Cb 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3dci h ALA 194 CO -0.08 0.63 0.48 0.00 0.00 0.00 0.00 179.25 180.29 3dci h ALA 195 N 1.18 1.63 -0.16 0.00 0.00 -0.91 -1.15 119.26 119.85 3dci h ALA 195 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3dci h ALA 195 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dci h ALA 195 CO -0.00 0.28 -0.13 0.82 0.00 0.00 0.00 179.25 180.22 3dci h ILE 196 N 0.83 1.33 -0.63 0.00 2.04 -1.09 -0.71 117.51 119.29 3dci h ILE 196 Ca 0.31 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3dci h ILE 196 Cb 0.15 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3dci h ILE 196 CO -0.10 0.37 0.35 1.23 0.00 0.00 0.00 178.15 180.01 3dci h GLY 197 N 0.02 0.91 0.95 5.37 0.00 -1.24 -0.19 103.07 108.89 3dci h GLY 197 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3dci h GLY 197 CO 0.03 0.16 0.09 3.21 0.00 0.00 0.00 176.54 180.04 3dci h ARG 198 N 0.66 0.22 0.00 4.80 3.08 -1.12 -2.92 114.38 119.10 3dci h ARG 198 Ca 0.28 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 3dci h ARG 198 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3dci h ARG 198 CO -0.16 0.21 -0.27 0.00 -1.07 0.00 0.00 179.97 178.68 3dci h ALA 199 N 0.99 1.49 0.00 0.04 0.00 -0.89 -2.46 119.26 118.43 3dci h ALA 199 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3dci h ALA 199 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dci h ALA 199 CO -0.01 0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 179.35 3dci h LEU 200 N 0.00 0.00 -0.26 0.00 3.38 -0.84 -3.34 115.31 114.26 3dci h LEU 200 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dci h LEU 200 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3dci h LEU 200 CO 0.04 0.16 0.01 0.00 0.09 0.00 0.00 178.44 178.74 3dci h ALA 201 N 1.84 0.24 0.68 1.53 0.00 -1.39 -1.81 119.26 120.35 3dci h ALA 201 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dci h ALA 201 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dci h ALA 201 CO 0.02 -0.40 -0.38 0.00 0.00 0.00 0.00 179.25 178.49 3dci h ALA 202 N 1.22 -0.99 -0.58 0.00 0.00 -1.77 0.25 119.26 117.39 3dci h ALA 202 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dci h ALA 202 Cb 0.15 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3dci h ALA 202 CO -0.20 -1.07 0.28 -1.00 0.00 0.00 0.00 179.25 177.26 3dci h PRO 203 N -0.98 0.81 -0.45 0.00 0.13 -1.76 -1.90 132.00 127.83 3dci h PRO 203 Ca -0.09 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 3dci h PRO 203 Cb 0.78 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 3dci h PRO 203 CO 0.12 0.62 0.18 0.28 -0.23 0.00 0.00 178.00 178.97 3dci h VAL 204 N 0.81 1.20 -0.92 1.56 2.07 -1.12 -0.16 116.25 119.68 3dci h VAL 204 Ca 0.20 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.17 3dci h VAL 204 Cb 0.08 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3dci h VAL 204 CO -0.03 0.24 0.57 -0.09 0.02 0.00 0.00 177.57 178.28 3dci h ARG 205 N 0.59 0.95 -0.22 1.57 2.43 -0.13 -1.00 114.38 118.57 3dci h ARG 205 Ca 0.15 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3dci h ARG 205 Cb 0.19 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3dci h ARG 205 CO -0.01 0.63 -0.24 0.22 -1.51 0.00 0.00 179.97 179.06 3dci h ASP 206 N 0.98 0.59 -0.46 -3.80 3.58 -1.08 -3.20 116.42 113.03 3dci h ASP 206 Ca 0.43 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 3dci h ASP 206 Cb 0.30 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3dci h ASP 206 CO -0.22 0.95 0.27 0.40 -2.88 0.00 0.00 179.24 177.77 3dci h ILE 207 N 0.24 1.15 0.00 2.25 2.04 -0.66 -3.51 117.51 119.02 3dci h ILE 207 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3dci h ILE 207 Cb 0.79 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3dci h ILE 207 CO 0.06 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.54