#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dft n PRO 3 N 0.00 0.59 0.23 0.00 -0.02 0.07 -4.66 135.00 131.21 2dft n PRO 3 Ca 0.00 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2dft n PRO 3 Cb 0.00 -1.63 0.36 0.00 -0.02 0.00 0.00 33.50 32.20 2dft n PRO 3 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2dft h LYS 4 N 2.93 0.00 -3.44 -0.52 1.57 -1.58 -3.44 116.57 112.09 2dft h LYS 4 Ca -0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 2dft h LYS 4 Cb 1.39 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 2dft h LYS 4 CO 0.67 0.00 -0.10 0.00 -0.57 0.00 0.00 179.45 179.45 2dft s ALA 5 N -3.35 -0.84 -0.04 3.86 0.00 -1.26 -4.77 121.76 115.37 2dft s ALA 5 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 2dft s ALA 5 Cb 0.07 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.91 2dft s ALA 5 CO 0.62 -0.64 0.05 0.08 0.00 0.00 0.00 175.76 175.86 2dft s VAL 6 N -3.82 -0.07 -0.11 0.00 1.01 -0.66 -1.00 120.40 115.75 2dft s VAL 6 Ca 0.04 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2dft s VAL 6 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2dft s VAL 6 CO -0.11 0.16 0.03 -0.76 0.00 0.00 0.00 175.10 174.42 2dft s LEU 7 N 1.89 3.71 0.05 3.92 1.43 0.17 0.25 118.68 130.10 2dft s LEU 7 Ca 0.02 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2dft s LEU 7 Cb -0.12 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2dft s LEU 7 CO -0.03 0.35 -0.07 0.68 0.23 0.00 0.00 176.35 177.50 2dft s VAL 8 N -0.67 0.52 -1.73 -1.59 -7.23 -0.09 -2.21 120.40 107.40 2dft s VAL 8 Ca 0.11 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2dft s VAL 8 Cb -0.12 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2dft s VAL 8 CO 0.02 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 2dft n GLY 9 N 1.27 -1.32 3.94 2.32 0.00 -1.26 -1.05 105.19 109.09 2dft n GLY 9 Ca -0.21 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 2dft n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dft s LEU 10 N 0.00 3.02 0.07 0.99 1.43 -1.26 -4.65 118.68 118.28 2dft s LEU 10 Ca 0.00 0.34 -0.35 0.00 -1.03 0.00 0.00 54.13 53.09 2dft s LEU 10 Cb 0.00 -3.09 -0.15 0.00 0.03 0.00 0.00 46.19 42.99 2dft s LEU 10 CO 0.00 -1.37 1.54 -0.81 0.23 0.00 0.00 176.35 175.94 2dft n PRO 11 N -2.68 1.70 0.00 1.29 -0.04 -1.26 -0.80 135.00 133.21 2dft n PRO 11 Ca 0.07 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2dft n PRO 11 Cb 0.60 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2dft n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dft n GLY 12 N 3.27 0.43 0.30 0.55 0.00 -1.26 -4.78 105.19 103.70 2dft n GLY 12 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2dft n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dft h SER 13 N 0.00 0.52 0.00 1.61 0.02 -1.26 -3.44 113.55 110.99 2dft h SER 13 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dft h SER 13 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2dft h SER 13 CO 0.00 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 2dft n GLY 14 N -1.26 1.13 0.39 -3.77 0.00 -1.26 -4.85 105.19 95.56 2dft n GLY 14 Ca 0.03 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.29 2dft n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dft h LYS 15 N 0.21 0.35 0.04 1.61 2.10 -1.89 0.22 116.57 119.22 2dft h LYS 15 Ca 0.00 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2dft h LYS 15 Cb 0.00 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2dft h LYS 15 CO 0.00 0.23 -0.27 0.77 -2.00 0.00 0.00 179.45 178.18 2dft h SER 16 N 0.36 0.13 0.09 7.07 0.02 -1.96 -1.20 113.55 118.07 2dft h SER 16 Ca 0.68 -0.97 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 2dft h SER 16 Cb 1.67 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 64.19 2dft h SER 16 CO -0.44 1.13 -0.59 0.74 -1.14 0.00 0.00 176.83 176.53 2dft h THR 17 N -0.82 1.57 -0.38 -2.27 2.02 -1.75 0.57 112.91 111.85 2dft h THR 17 Ca -0.05 -2.47 0.05 0.00 0.77 0.00 0.00 66.41 64.71 2dft h THR 17 Cb 1.19 3.23 -0.02 0.00 -1.74 0.00 0.00 68.15 70.81 2dft h THR 17 CO 0.03 0.68 0.26 0.40 0.37 0.00 0.00 175.52 177.26 2dft h ILE 18 N -0.58 0.96 0.31 3.11 1.08 -0.78 -2.45 117.51 119.16 2dft h ILE 18 Ca -0.11 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2dft h ILE 18 Cb 1.44 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 2dft h ILE 18 CO 0.09 0.05 -0.36 1.23 -0.69 0.00 0.00 178.15 178.48 2dft h GLY 19 N 0.30 -0.81 0.63 5.37 0.00 -0.45 0.47 103.07 108.57 2dft h GLY 19 Ca 0.17 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 2dft h GLY 19 CO -0.04 -0.29 -0.03 -0.09 0.00 0.00 0.00 176.54 176.10 2dft h ARG 20 N -0.71 0.11 -0.69 4.80 2.43 -0.72 -2.64 114.38 116.95 2dft h ARG 20 Ca -0.01 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2dft h ARG 20 Cb 0.66 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 2dft h ARG 20 CO -0.09 0.50 0.29 0.00 -1.51 0.00 0.00 179.97 179.16 2dft h ARG 21 N -0.29 0.46 -0.07 0.20 3.08 -1.44 0.16 114.38 116.49 2dft h ARG 21 Ca 0.01 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2dft h ARG 21 Cb 0.47 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2dft h ARG 21 CO 0.01 0.31 -0.75 1.25 -1.07 0.00 0.00 179.97 179.72 2dft h LEU 22 N 0.48 0.46 -0.20 3.04 5.85 -0.02 -1.79 115.31 123.13 2dft h LEU 22 Ca 0.36 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2dft h LEU 22 Cb 0.46 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2dft h LEU 22 CO -0.33 1.06 -0.14 0.00 -0.34 0.00 0.00 178.44 178.69 2dft h ALA 23 N 0.93 0.02 -0.12 1.25 0.00 -1.04 -2.77 119.26 117.52 2dft h ALA 23 Ca -0.03 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2dft h ALA 23 Cb 1.33 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2dft h ALA 23 CO 0.13 -0.56 -0.13 0.87 0.00 0.00 0.00 179.25 179.56 2dft h LYS 24 N -0.13 0.30 0.00 0.00 1.57 -0.64 0.19 116.57 117.86 2dft h LYS 24 Ca 0.12 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dft h LYS 24 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2dft h LYS 24 CO -0.28 0.71 0.17 0.00 -0.57 0.00 0.00 179.45 179.48 2dft n ALA 25 N -2.41 0.64 -1.52 3.86 0.00 -0.68 -1.06 120.51 119.34 2dft n ALA 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2dft n ALA 25 Cb 0.35 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.21 2dft n ALA 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2dft n LEU 26 N -1.23 0.16 -1.36 0.00 0.00 -0.76 -5.01 117.00 108.80 2dft n LEU 26 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 56.01 55.13 2dft n LEU 26 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 43.42 43.53 2dft n LEU 26 CO 0.00 0.18 -0.16 0.61 0.00 0.00 0.00 177.39 178.02 2dft n GLY 27 N -0.07 0.89 2.66 -3.96 0.00 -0.22 -4.96 105.19 99.53 2dft n GLY 27 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2dft n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dft n VAL 28 N -3.09 0.00 -4.22 1.61 0.24 -0.02 -5.06 118.33 107.80 2dft n VAL 28 Ca -0.16 -1.94 -0.31 0.00 -2.04 0.00 0.00 64.34 59.89 2dft n VAL 28 Cb 0.55 0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 2dft n VAL 28 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2dft s GLY 29 N -2.97 1.88 -0.15 7.63 0.00 -1.26 -4.30 107.32 108.15 2dft s GLY 29 Ca 0.23 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.64 2dft s GLY 29 CO 0.16 -1.00 0.80 -2.27 0.00 0.00 0.00 173.10 170.79 2dft s LEU 30 N -1.98 4.20 0.16 0.66 2.96 -1.26 -1.64 118.68 121.77 2dft s LEU 30 Ca 0.23 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.28 2dft s LEU 30 Cb -0.12 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 2dft s LEU 30 CO 0.14 -0.35 0.36 -0.22 -1.32 0.00 0.00 176.35 174.97 2dft s LEU 31 N 1.92 4.26 -0.15 -0.68 0.20 0.69 -4.94 118.68 119.96 2dft s LEU 31 Ca 0.38 0.45 0.01 0.00 0.69 0.00 0.00 54.13 55.66 2dft s LEU 31 Cb -0.17 -3.20 0.02 0.00 -0.43 0.00 0.00 46.19 42.42 2dft s LEU 31 CO 0.13 0.02 -0.18 -0.62 -0.29 0.00 0.00 176.35 175.42 2dft s ASP 32 N -2.80 2.91 0.28 3.68 -1.08 -1.26 -0.88 116.67 117.52 2dft s ASP 32 Ca 0.39 -0.56 -0.01 0.00 -0.52 0.00 0.00 52.55 51.85 2dft s ASP 32 Cb -0.12 -1.33 0.46 0.00 -1.46 0.00 0.00 42.92 40.47 2dft s ASP 32 CO 0.27 0.00 1.90 0.71 0.52 0.00 0.00 175.17 178.57 2dft h THR 33 N 5.95 1.08 0.86 1.71 1.35 -1.85 0.55 112.91 122.56 2dft h THR 33 Ca -0.39 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 2dft h THR 33 Cb 1.15 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2dft h THR 33 CO 0.57 0.20 -0.45 0.44 -0.25 0.00 0.00 175.52 176.03 2dft h ASP 34 N 1.12 -1.10 -1.33 5.36 3.32 -1.95 0.13 116.42 121.97 2dft h ASP 34 Ca 0.41 0.05 0.42 0.00 0.02 0.00 0.00 57.03 57.94 2dft h ASP 34 Cb 0.18 0.30 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 2dft h ASP 34 CO -0.16 -0.74 0.87 0.58 -1.72 0.00 0.00 179.24 178.07 2dft h VAL 35 N -1.20 0.16 0.00 -1.35 2.07 -1.64 0.12 116.25 114.40 2dft h VAL 35 Ca -0.12 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2dft h VAL 35 Cb 0.94 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2dft h VAL 35 CO 0.17 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.50 2dft n ALA 36 N -2.55 2.57 0.15 1.67 0.00 0.18 -1.33 120.51 121.20 2dft n ALA 36 Ca 0.36 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 2dft n ALA 36 Cb 1.41 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 2dft n ALA 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dft h ILE 37 N 0.00 0.38 0.00 0.00 2.04 0.12 0.78 117.51 120.82 2dft h ILE 37 Ca 0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2dft h ILE 37 Cb 0.74 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2dft h ILE 37 CO 0.00 0.09 -0.11 1.05 0.00 0.00 0.00 178.15 179.18 2dft h GLU 38 N -1.00 0.00 0.63 2.37 4.11 -1.58 0.78 114.58 119.88 2dft h GLU 38 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 2dft h GLU 38 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2dft h GLU 38 CO 0.07 0.11 -0.30 0.37 0.07 0.00 0.00 179.01 179.33 2dft h GLN 39 N 0.00 -0.82 -0.35 1.06 4.15 -1.17 -2.23 115.11 115.75 2dft h GLN 39 Ca -0.00 0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 2dft h GLN 39 Cb 0.52 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2dft h GLN 39 CO 0.01 -0.52 -0.38 0.00 -1.93 0.00 0.00 178.83 176.02 2dft h ARG 40 N -0.93 0.82 -0.67 1.69 3.08 -0.37 -3.31 114.38 114.69 2dft h ARG 40 Ca -0.09 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2dft h ARG 40 Cb 0.68 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dft h ARG 40 CO 0.14 1.06 0.00 0.25 -1.07 0.00 0.00 179.97 180.35 2dft n THR 41 N -4.05 1.18 -0.88 2.04 -2.24 0.27 -4.89 114.28 105.70 2dft n THR 41 Ca -0.02 -0.97 -0.04 0.00 -2.27 0.00 0.00 64.05 60.75 2dft n THR 41 Cb 0.53 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2dft n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dft n GLY 42 N 1.41 0.40 2.94 3.38 0.00 -0.84 -4.89 105.19 107.59 2dft n GLY 42 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 2dft n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dft s ARG 43 N -1.87 0.39 0.43 1.61 1.70 -1.26 -5.06 118.95 114.89 2dft s ARG 43 Ca 0.00 -0.15 -0.24 0.00 -0.47 0.00 0.00 55.73 54.87 2dft s ARG 43 Cb 0.00 -0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 33.92 2dft s ARG 43 CO 0.00 0.08 1.13 0.45 -1.08 0.00 0.00 175.30 175.88 2dft s SER 44 N -0.02 6.41 0.17 -2.89 0.15 -1.26 -4.41 113.70 111.85 2dft s SER 44 Ca 0.01 2.23 0.03 0.00 0.70 0.00 0.00 55.95 58.92 2dft s SER 44 Cb -0.03 -2.60 0.47 0.00 -1.71 0.00 0.00 66.02 62.15 2dft s SER 44 CO -0.00 -0.75 0.84 -0.38 1.20 0.00 0.00 173.24 174.15 2dft n ILE 45 N -0.27 -0.23 -0.12 6.45 -0.00 -1.26 0.24 119.36 124.18 2dft n ILE 45 Ca 0.06 1.17 -0.12 0.00 -0.00 0.00 0.00 62.75 63.86 2dft n ILE 45 Cb 0.48 -1.74 -0.03 0.00 -0.00 0.00 0.00 39.64 38.36 2dft n ILE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2dft h ALA 46 N 1.07 0.47 -0.96 -1.39 0.00 -2.00 -2.93 119.26 113.53 2dft h ALA 46 Ca 0.35 -0.31 -0.69 0.00 0.00 0.00 0.00 54.91 54.26 2dft h ALA 46 Cb 0.77 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2dft h ALA 46 CO -0.49 0.34 2.11 -0.25 0.00 0.00 0.00 179.25 180.96 2dft n ASP 47 N -4.39 4.96 0.00 0.00 10.43 0.68 0.25 116.55 128.47 2dft n ASP 47 Ca -0.02 -2.93 0.00 0.00 2.57 0.00 0.00 54.79 54.41 2dft n ASP 47 Cb 0.36 -1.72 0.00 0.00 1.84 0.00 0.00 41.12 41.59 2dft n ASP 47 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2dft n ILE 48 N 6.10 0.00 -0.05 0.53 5.41 -1.23 -4.27 119.36 125.85 2dft n ILE 48 Ca 0.47 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.10 2dft n ILE 48 Cb 0.45 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.28 2dft n ILE 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2dft h PHE 49 N 0.00 -0.01 -0.03 1.39 0.04 -1.23 0.39 116.94 117.49 2dft h PHE 49 Ca 0.00 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2dft h PHE 49 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2dft h PHE 49 CO 0.00 0.77 -0.91 0.00 -0.60 0.00 0.00 178.31 177.57 2dft h ALA 50 N -0.09 0.34 -3.00 2.45 0.00 -0.46 -3.22 119.26 115.27 2dft h ALA 50 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dft h ALA 50 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dft h ALA 50 CO 0.00 0.76 0.00 2.41 0.00 0.00 0.00 179.25 182.42 2dft n THR 51 N -3.81 0.00 -3.38 0.00 -1.04 -1.25 -4.74 114.28 100.06 2dft n THR 51 Ca -0.07 0.43 -0.30 0.00 -2.04 0.00 0.00 64.05 62.07 2dft n THR 51 Cb 0.82 -1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 68.05 2dft n THR 51 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2dft n ASP 52 N -0.05 4.21 -0.48 8.00 3.85 0.13 -4.87 116.55 127.34 2dft n ASP 52 Ca 0.00 -3.42 0.00 0.00 -0.71 0.00 0.00 54.79 50.66 2dft n ASP 52 Cb 0.00 -0.79 0.00 0.00 -1.35 0.00 0.00 41.12 38.98 2dft n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dft n GLY 53 N 1.03 -3.35 0.26 6.12 0.00 -1.03 -4.28 105.19 103.95 2dft n GLY 53 Ca 0.28 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 45.23 2dft n GLY 53 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dft h GLU 54 N 0.30 0.38 0.00 1.61 4.81 -1.83 -2.59 114.58 117.26 2dft h GLU 54 Ca 0.00 -0.07 -0.33 0.00 -0.13 0.00 0.00 59.36 58.83 2dft h GLU 54 Cb 0.13 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 2dft h GLU 54 CO 0.00 0.43 -2.00 0.00 -0.73 0.00 0.00 179.01 176.71 2dft n GLN 55 N -4.31 0.66 0.27 1.92 0.00 -1.26 -1.57 117.38 113.08 2dft n GLN 55 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 57.00 57.30 2dft n GLN 55 Cb 0.23 -1.68 0.75 0.00 0.00 0.00 0.00 30.24 29.54 2dft n GLN 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2dft h GLU 56 N 0.00 0.00 0.07 2.61 4.57 -1.72 -1.98 114.58 118.12 2dft h GLU 56 Ca -0.40 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.53 2dft h GLU 56 Cb 2.10 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.70 2dft h GLU 56 CO 0.06 0.10 -1.09 0.35 -1.18 0.00 0.00 179.01 177.25 2dft h PHE 57 N 0.00 0.60 -0.01 0.92 3.57 -0.88 0.05 116.94 121.19 2dft h PHE 57 Ca -0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2dft h PHE 57 Cb 0.28 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 2dft h PHE 57 CO 0.00 1.23 0.03 0.00 -2.23 0.00 0.00 178.31 177.34 2dft h ARG 58 N 0.17 0.00 0.11 1.11 3.08 -0.86 0.38 114.38 118.38 2dft h ARG 58 Ca -0.11 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.66 2dft h ARG 58 Cb 1.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.81 2dft h ARG 58 CO 0.19 0.00 -1.31 0.07 -1.07 0.00 0.00 179.97 177.85 2dft h ARG 59 N 0.00 0.23 0.65 0.04 -0.00 -0.61 -3.03 114.38 111.67 2dft h ARG 59 Ca 0.01 -0.40 -0.03 0.00 -0.00 0.00 0.00 59.98 59.56 2dft h ARG 59 Cb 0.06 0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 2dft h ARG 59 CO -0.00 1.15 -0.36 0.82 -0.00 0.00 0.00 179.97 181.58 2dft h ILE 60 N 0.06 0.27 -0.22 0.08 5.03 -0.62 -2.80 117.51 119.32 2dft h ILE 60 Ca -0.15 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.64 2dft h ILE 60 Cb 1.97 0.27 -0.07 0.00 -3.03 0.00 0.00 36.82 35.96 2dft h ILE 60 CO 0.18 0.00 -0.25 -0.08 -0.68 0.00 0.00 178.15 177.32 2dft h GLU 61 N -0.94 -0.26 -0.95 2.37 4.81 -0.35 0.39 114.58 119.65 2dft h GLU 61 Ca -0.08 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.46 2dft h GLU 61 Cb 0.74 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.03 2dft h GLU 61 CO 0.11 -0.17 0.39 1.49 -0.73 0.00 0.00 179.01 180.09 2dft h GLU 62 N -0.27 0.21 0.07 1.92 4.81 -1.57 0.84 114.58 120.59 2dft h GLU 62 Ca 0.13 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 2dft h GLU 62 Cb 0.47 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2dft h GLU 62 CO -0.38 0.14 -1.10 -0.44 -0.73 0.00 0.00 179.01 176.50 2dft h ASP 63 N 0.22 0.33 -0.07 1.04 5.19 0.01 -1.02 116.42 122.12 2dft h ASP 63 Ca 0.66 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2dft h ASP 63 Cb 1.47 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 2dft h ASP 63 CO -0.67 1.22 0.03 0.58 -3.12 0.00 0.00 179.24 177.28 2dft h VAL 64 N 0.08 1.12 -0.88 -1.35 2.07 0.20 -2.29 116.25 115.19 2dft h VAL 64 Ca -0.09 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.14 2dft h VAL 64 Cb 1.81 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 2dft h VAL 64 CO 0.17 0.10 0.56 0.58 0.02 0.00 0.00 177.57 179.00 2dft h VAL 65 N -0.01 1.07 -0.68 2.57 2.07 0.72 0.76 116.25 122.75 2dft h VAL 65 Ca 0.03 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2dft h VAL 65 Cb 0.13 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 2dft h VAL 65 CO -0.00 0.19 0.35 -0.09 0.02 0.00 0.00 177.57 178.04 2dft h ARG 66 N 1.03 0.61 -0.12 1.57 2.43 -1.16 -0.48 114.38 118.26 2dft h ARG 66 Ca 0.38 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.35 2dft h ARG 66 Cb 0.14 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2dft h ARG 66 CO -0.16 0.41 -0.56 0.00 -1.51 0.00 0.00 179.97 178.15 2dft h ALA 67 N 1.38 0.23 -0.84 2.80 0.00 -0.13 -3.10 119.26 119.60 2dft h ALA 67 Ca 0.32 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2dft h ALA 67 Cb 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2dft h ALA 67 CO -0.22 0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.97 2dft h ALA 68 N 0.50 1.21 0.00 0.00 0.00 0.70 0.23 119.26 121.89 2dft h ALA 68 Ca -0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dft h ALA 68 Cb 1.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2dft h ALA 68 CO 0.12 0.12 -0.01 -0.07 0.00 0.00 0.00 179.25 179.41 2dft h LEU 69 N 0.82 0.00 -0.05 0.00 3.38 -1.06 -0.68 115.31 117.72 2dft h LEU 69 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2dft h LEU 69 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dft h LEU 69 CO -0.24 0.01 -0.41 0.00 0.09 0.00 0.00 178.44 177.88 2dft n ALA 70 N -2.11 3.16 -0.01 1.53 0.00 -0.68 -4.53 120.51 117.86 2dft n ALA 70 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dft n ALA 70 Cb 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 2dft n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dft n ASP 71 N -1.15 3.76 -4.44 0.00 8.00 -0.02 -4.84 116.55 117.87 2dft n ASP 71 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2dft n ASP 71 Cb 0.15 0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 42.04 2dft n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2dft s HIS 72 N -2.24 3.11 -1.71 1.24 2.46 -0.33 -4.98 115.29 112.83 2dft s HIS 72 Ca -0.02 -0.47 0.20 0.00 0.47 0.00 0.00 55.06 55.24 2dft s HIS 72 Cb 0.02 -2.26 0.65 0.00 -0.13 0.00 0.00 32.58 30.86 2dft s HIS 72 CO 0.21 -0.39 1.55 -0.25 -2.47 0.00 0.00 174.74 173.40 2dft n ASP 73 N 4.93 4.08 0.00 9.88 8.00 -1.26 -0.75 116.55 141.43 2dft n ASP 73 Ca -0.16 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.19 2dft n ASP 73 Cb 0.51 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2dft n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dft n GLY 74 N 1.45 5.10 3.87 0.44 0.00 -1.26 -3.80 105.19 110.99 2dft n GLY 74 Ca 0.24 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 2dft n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dft s VAL 75 N 3.19 4.86 -0.04 1.61 1.01 -0.65 -2.50 120.40 127.89 2dft s VAL 75 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2dft s VAL 75 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2dft s VAL 75 CO 0.00 -0.08 -0.24 -0.22 0.00 0.00 0.00 175.10 174.56 2dft s LEU 76 N -2.81 2.04 -0.29 3.92 2.96 -0.17 -0.22 118.68 124.11 2dft s LEU 76 Ca 0.49 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2dft s LEU 76 Cb -0.11 -1.26 0.08 0.00 0.50 0.00 0.00 46.19 45.40 2dft s LEU 76 CO 0.20 0.26 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.92 2dft s SER 77 N -0.35 4.41 -0.08 3.68 0.15 -0.06 0.46 113.70 121.91 2dft s SER 77 Ca 0.03 -1.66 -0.16 0.00 0.70 0.00 0.00 55.95 54.87 2dft s SER 77 Cb -0.11 -1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 62.71 2dft s SER 77 CO 0.01 -0.29 0.41 -0.22 1.20 0.00 0.00 173.24 174.35 2dft s LEU 78 N 1.13 4.35 -0.65 3.45 0.20 -0.94 -2.49 118.68 123.73 2dft s LEU 78 Ca 0.01 0.80 -0.26 0.00 0.69 0.00 0.00 54.13 55.37 2dft s LEU 78 Cb -0.19 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2dft s LEU 78 CO -0.08 0.15 2.10 -0.83 -0.29 0.00 0.00 176.35 177.40 2dft s GLY 79 N -0.09 -0.11 0.00 7.98 0.00 -1.26 -4.79 107.32 109.04 2dft s GLY 79 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2dft s GLY 79 CO 0.10 3.74 0.00 0.61 0.00 0.00 0.00 173.10 177.55 2dft n GLY 80 N 6.13 0.00 0.01 0.20 0.00 -1.26 -0.31 105.19 109.96 2dft n GLY 80 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.34 2dft n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dft n GLY 81 N 0.00 -0.01 0.03 -0.02 0.00 -1.26 -2.57 105.19 101.36 2dft n GLY 81 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2dft n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dft n ALA 82 N -1.61 1.60 1.15 4.61 0.00 0.58 -2.52 120.51 124.33 2dft n ALA 82 Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2dft n ALA 82 Cb 0.03 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.43 2dft n ALA 82 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dft n VAL 83 N -1.67 0.00 -0.14 0.00 0.24 -1.06 -3.42 118.33 112.27 2dft n VAL 83 Ca 0.03 -0.28 0.26 0.00 -2.04 0.00 0.00 64.34 62.31 2dft n VAL 83 Cb 0.17 0.97 0.70 0.00 -1.47 0.00 0.00 33.84 34.20 2dft n VAL 83 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2dft h THR 84 N 2.66 0.60 -3.12 3.34 2.02 -1.79 -3.43 112.91 113.19 2dft h THR 84 Ca 0.00 -0.01 -0.57 0.00 0.77 0.00 0.00 66.41 66.60 2dft h THR 84 Cb 0.71 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2dft h THR 84 CO 0.00 0.01 0.97 -0.44 0.37 0.00 0.00 175.52 176.42 2dft s SER 85 N -5.76 6.69 0.55 4.18 0.01 -1.22 -4.89 113.70 113.26 2dft s SER 85 Ca -0.05 1.25 0.25 0.00 1.31 0.00 0.00 55.95 58.71 2dft s SER 85 Cb 0.21 -2.54 1.47 0.00 0.21 0.00 0.00 66.02 65.37 2dft s SER 85 CO 0.76 -1.06 2.06 -0.65 0.41 0.00 0.00 173.24 174.77 2dft h PRO 86 N 9.22 0.00 -0.08 12.44 0.11 -1.90 -1.02 132.00 150.76 2dft h PRO 86 Ca -0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 2dft h PRO 86 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2dft h PRO 86 CO 1.03 0.00 -0.42 0.78 -0.21 0.00 0.00 178.00 179.17 2dft h GLY 87 N 0.00 0.20 0.91 -0.55 0.00 -1.94 -0.34 103.07 101.35 2dft h GLY 87 Ca 0.15 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 2dft h GLY 87 CO -0.00 0.18 -0.92 -2.08 0.00 0.00 0.00 176.54 173.72 2dft h VAL 88 N 0.16 1.41 -0.29 4.60 2.07 -1.59 1.29 116.25 123.88 2dft h VAL 88 Ca 0.01 -2.39 0.05 0.00 0.82 0.00 0.00 66.70 65.19 2dft h VAL 88 Cb 0.82 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.41 2dft h VAL 88 CO 0.06 0.70 0.02 0.03 0.02 0.00 0.00 177.57 178.41 2dft h ARG 89 N -0.07 0.11 -0.60 1.57 3.08 -1.03 0.36 114.38 117.81 2dft h ARG 89 Ca -0.14 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2dft h ARG 89 Cb 1.66 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.65 2dft h ARG 89 CO 0.18 0.08 0.24 0.00 -1.07 0.00 0.00 179.97 179.39 2dft h ALA 90 N 1.24 1.29 0.00 0.04 0.00 -0.29 -2.23 119.26 119.31 2dft h ALA 90 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2dft h ALA 90 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2dft h ALA 90 CO -0.21 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.26 2dft h ALA 91 N 1.40 0.85 0.00 0.00 0.00 0.26 -2.96 119.26 118.81 2dft h ALA 91 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dft h ALA 91 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dft h ALA 91 CO -0.02 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.55 2dft h LEU 92 N 0.00 0.00 -9.25 0.00 3.38 -0.31 -3.46 115.31 105.66 2dft h LEU 92 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2dft h LEU 92 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2dft h LEU 92 CO 0.04 0.00 1.08 0.00 0.09 0.00 0.00 178.44 179.65 2dft s ALA 93 N -3.32 3.61 0.00 1.53 0.00 -1.12 -1.79 121.76 120.67 2dft s ALA 93 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2dft s ALA 93 Cb 0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2dft s ALA 93 CO 0.50 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2dft n GLY 94 N 4.12 1.10 3.90 0.00 0.00 -1.26 -5.07 105.19 107.98 2dft n GLY 94 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2dft n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dft s HIS 95 N -1.47 3.16 -0.21 1.61 3.76 -0.74 -4.99 115.29 116.41 2dft s HIS 95 Ca 0.00 0.83 -0.29 0.00 -0.15 0.00 0.00 55.06 55.45 2dft s HIS 95 Cb 0.00 -3.17 -0.02 0.00 1.11 0.00 0.00 32.58 30.50 2dft s HIS 95 CO 0.00 -1.34 1.54 0.99 -0.85 0.00 0.00 174.74 175.08 2dft s THR 96 N -3.36 3.81 -0.15 1.30 2.01 -1.26 -4.80 115.64 113.19 2dft s THR 96 Ca 0.59 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.52 2dft s THR 96 Cb -0.11 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.62 2dft s THR 96 CO 0.49 -0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 2dft s VAL 97 N 4.77 2.66 -0.21 3.82 1.01 -1.26 -1.66 120.40 129.53 2dft s VAL 97 Ca 0.68 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2dft s VAL 97 Cb -0.24 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2dft s VAL 97 CO 0.27 0.52 0.08 -0.69 0.00 0.00 0.00 175.10 175.28 2dft s VAL 98 N 0.76 4.76 -0.50 2.92 1.01 0.14 -1.56 120.40 127.92 2dft s VAL 98 Ca -0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2dft s VAL 98 Cb -0.15 -3.18 0.11 0.00 0.00 0.00 0.00 36.38 33.16 2dft s VAL 98 CO 0.01 0.41 0.43 -0.47 0.00 0.00 0.00 175.10 175.48 2dft s TYR 99 N 0.80 3.28 -0.55 5.22 5.04 0.86 -0.91 117.35 131.09 2dft s TYR 99 Ca 0.04 -1.27 -0.28 0.00 -2.44 0.00 0.00 57.07 53.12 2dft s TYR 99 Cb -0.13 -3.51 0.01 0.00 0.35 0.00 0.00 41.96 38.68 2dft s TYR 99 CO 0.02 -0.94 1.44 -0.51 -1.34 0.00 0.00 175.55 174.22 2dft s LEU 100 N 1.57 3.41 0.01 6.97 1.43 -0.21 -2.37 118.68 129.48 2dft s LEU 100 Ca 0.04 0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 2dft s LEU 100 Cb -0.27 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 2dft s LEU 100 CO 0.04 -1.71 0.32 -1.83 0.23 0.00 0.00 176.35 173.39 2dft s GLU 101 N 5.52 3.69 0.05 1.70 -1.05 0.16 -4.45 118.70 124.32 2dft s GLU 101 Ca 0.54 0.10 -0.11 0.00 -0.15 0.00 0.00 54.97 55.35 2dft s GLU 101 Cb -0.11 -3.11 0.01 0.00 -0.44 0.00 0.00 34.13 30.48 2dft s GLU 101 CO 0.25 0.65 0.25 -1.50 0.95 0.00 0.00 175.26 175.87 2dft s ILE 102 N -1.24 0.10 0.68 1.83 1.10 -1.26 -2.29 121.20 120.12 2dft s ILE 102 Ca 0.26 -0.84 -0.11 0.00 -0.51 0.00 0.00 60.65 59.45 2dft s ILE 102 Cb -0.14 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.46 2dft s ILE 102 CO 0.14 -0.46 1.06 -0.94 -2.11 0.00 0.00 174.94 172.63 2dft s SER 103 N -2.24 5.48 0.07 4.50 1.04 -1.26 -4.92 113.70 116.38 2dft s SER 103 Ca -0.03 1.63 -0.32 0.00 0.48 0.00 0.00 55.95 57.71 2dft s SER 103 Cb 0.00 -2.50 -0.15 0.00 0.10 0.00 0.00 66.02 63.47 2dft s SER 103 CO -0.05 -1.38 1.50 0.00 0.98 0.00 0.00 173.24 174.29 2dft h ALA 104 N -0.56 -1.12 -0.79 5.32 0.00 -1.97 0.76 119.26 120.90 2dft h ALA 104 Ca -0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2dft h ALA 104 Cb 1.21 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 2dft h ALA 104 CO 0.57 -1.14 0.43 0.00 0.00 0.00 0.00 179.25 179.11 2dft h ALA 105 N -1.00 1.01 0.31 0.00 0.00 -1.96 0.12 119.26 117.74 2dft h ALA 105 Ca -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2dft h ALA 105 Cb 0.78 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dft h ALA 105 CO -0.05 0.52 -0.15 1.49 0.00 0.00 0.00 179.25 181.06 2dft h GLU 106 N 1.09 -0.40 0.00 0.00 4.57 -1.94 -2.27 114.58 115.64 2dft h GLU 106 Ca 0.28 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2dft h GLU 106 Cb 0.04 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2dft h GLU 106 CO -0.04 -0.27 0.00 0.41 -1.18 0.00 0.00 179.01 177.93 2dft n GLY 107 N 0.50 0.00 0.22 1.92 0.00 0.24 0.91 105.19 108.98 2dft n GLY 107 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2dft n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dft h VAL 108 N 0.00 0.94 0.09 1.61 2.07 -0.61 -2.70 116.25 117.65 2dft h VAL 108 Ca 0.00 -0.98 -0.26 0.00 0.82 0.00 0.00 66.70 66.28 2dft h VAL 108 Cb 0.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2dft h VAL 108 CO 0.00 0.26 -1.14 0.03 0.02 0.00 0.00 177.57 176.73 2dft h ARG 109 N 0.00 0.33 -0.77 1.57 2.47 0.11 -3.19 114.38 114.90 2dft h ARG 109 Ca -0.00 -0.47 -0.06 0.00 -1.26 0.00 0.00 59.98 58.19 2dft h ARG 109 Cb 0.55 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 2dft h ARG 109 CO 0.03 1.18 0.08 0.54 0.56 0.00 0.00 179.97 182.37 2dft n ARG 110 N -3.61 3.28 -2.05 0.04 1.74 -0.44 -4.13 116.66 111.49 2dft n ARG 110 Ca -0.08 -2.07 -0.31 0.00 -0.77 0.00 0.00 57.85 54.62 2dft n ARG 110 Cb 0.96 -1.97 0.03 0.00 -1.02 0.00 0.00 32.46 30.46 2dft n ARG 110 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dft n THR 111 N 0.23 2.92 -0.61 0.55 -2.24 -1.21 -4.78 114.28 109.15 2dft n THR 111 Ca 0.22 -4.28 0.00 0.00 -2.27 0.00 0.00 64.05 57.72 2dft n THR 111 Cb 0.95 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2dft n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dft n GLY 112 N -0.62 -3.43 3.04 3.38 0.00 -1.26 -5.14 105.19 101.16 2dft n GLY 112 Ca 0.48 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2dft n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dft s GLY 113 N -3.36 1.43 0.00 -0.02 0.00 -1.26 -5.15 107.32 98.96 2dft s GLY 113 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2dft s GLY 113 CO 0.00 0.61 0.00 2.09 0.00 0.00 0.00 173.10 175.80 2dft n ASP 124 N 4.58 0.00 -0.09 1.64 5.68 -1.26 -5.30 116.55 121.80 2dft n ASP 124 Ca -0.15 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.27 2dft n ASP 124 Cb 0.45 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.94 2dft n ASP 124 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2dft n ARG 125 N 0.00 0.45 -0.06 0.11 0.63 -1.26 -3.20 116.66 113.33 2dft n ARG 125 Ca 0.00 -0.18 -0.14 0.00 -0.92 0.00 0.00 57.85 56.61 2dft n ARG 125 Cb 0.00 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 2dft n ARG 125 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dft h ALA 126 N 3.39 0.28 -0.24 5.13 0.00 -1.99 -3.20 119.26 122.63 2dft h ALA 126 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2dft h ALA 126 Cb 0.43 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2dft h ALA 126 CO 0.00 0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.38 2dft h GLU 127 N 0.18 -0.05 -1.00 0.00 3.07 -1.98 0.80 114.58 115.60 2dft h GLU 127 Ca 0.02 0.00 0.36 0.00 -0.50 0.00 0.00 59.36 59.24 2dft h GLU 127 Cb 0.87 0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 28.61 2dft h GLU 127 CO 0.07 -0.03 0.34 1.63 -1.40 0.00 0.00 179.01 179.61 2dft n LYS 128 N -5.26 -0.07 -0.03 2.33 5.02 -1.19 -0.61 118.16 118.35 2dft n LYS 128 Ca -0.01 1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 57.56 2dft n LYS 128 Cb 0.18 -2.43 -0.14 0.00 -0.02 0.00 0.00 35.03 32.61 2dft n LYS 128 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2dft n TYR 129 N -5.35 0.87 -0.31 2.13 4.19 0.83 -3.04 117.16 116.48 2dft n TYR 129 Ca 0.32 0.26 0.03 0.00 3.31 0.00 0.00 57.90 61.82 2dft n TYR 129 Cb 1.08 -1.14 0.10 0.00 0.49 0.00 0.00 39.34 39.87 2dft n TYR 129 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dft h ARG 130 N 0.02 -0.01 0.45 2.98 3.08 0.22 0.25 114.38 121.37 2dft h ARG 130 Ca -0.39 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2dft h ARG 130 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.08 2dft h ARG 130 CO 0.06 -0.01 -0.40 0.00 -1.07 0.00 0.00 179.97 178.56 2dft h ALA 131 N 1.78 -1.10 0.00 0.04 0.00 -0.93 0.35 119.26 119.39 2dft h ALA 131 Ca 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dft h ALA 131 Cb 0.63 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dft h ALA 131 CO -0.89 -1.11 -0.01 1.25 0.00 0.00 0.00 179.25 178.49 2dft h LEU 132 N -0.84 0.00 0.68 0.00 5.85 -1.34 1.88 115.31 121.54 2dft h LEU 132 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2dft h LEU 132 Cb 0.71 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.75 2dft h LEU 132 CO -0.02 0.01 -0.33 -0.03 -0.34 0.00 0.00 178.44 177.74 2dft h MET 133 N 0.00 -0.88 -0.32 1.25 4.05 -0.39 -2.53 114.93 116.11 2dft h MET 133 Ca -0.00 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2dft h MET 133 Cb 0.08 0.20 -0.08 0.00 -0.80 0.00 0.00 31.60 31.00 2dft h MET 133 CO 0.00 -0.59 -0.39 0.00 0.23 0.00 0.00 176.91 176.16 2dft h ALA 134 N -1.53 -0.40 -0.81 0.39 0.00 0.60 0.12 119.26 117.63 2dft h ALA 134 Ca -0.09 0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.06 2dft h ALA 134 Cb 0.70 0.80 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 2dft h ALA 134 CO 0.15 -0.84 -0.02 0.87 0.00 0.00 0.00 179.25 179.42 2dft h LYS 135 N -0.35 0.08 0.00 0.00 1.79 0.22 -3.35 116.57 114.95 2dft h LYS 135 Ca 0.13 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2dft h LYS 135 Cb 0.58 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2dft h LYS 135 CO -0.51 0.05 -1.02 0.54 -1.08 0.00 0.00 179.45 177.43 2dft n ARG 136 N -5.39 0.45 -0.23 3.15 5.12 -0.88 -4.50 116.66 114.38 2dft n ARG 136 Ca 0.15 -0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.08 2dft n ARG 136 Cb 0.52 -1.01 0.14 0.00 -1.16 0.00 0.00 32.46 30.94 2dft n ARG 136 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dft h ALA 137 N 0.04 0.92 -0.14 7.54 0.00 -0.92 1.11 119.26 127.81 2dft h ALA 137 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dft h ALA 137 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dft h ALA 137 CO 0.00 -0.15 -0.11 -1.35 0.00 0.00 0.00 179.25 177.64 2dft h PRO 138 N 0.48 0.22 0.10 0.00 0.11 -1.79 0.08 132.00 131.20 2dft h PRO 138 Ca 0.35 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 66.14 2dft h PRO 138 Cb 0.44 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.53 2dft h PRO 138 CO -0.32 0.34 -1.19 -0.07 -0.21 0.00 0.00 178.00 176.55 2dft h LEU 139 N 0.21 0.65 -0.37 2.35 3.38 -0.05 -2.05 115.31 119.43 2dft h LEU 139 Ca 0.05 -0.61 -0.19 0.00 0.09 0.00 0.00 57.88 57.22 2dft h LEU 139 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2dft h LEU 139 CO 0.02 1.44 -0.66 1.88 0.09 0.00 0.00 178.44 181.21 2dft h TYR 140 N 0.19 0.79 0.00 1.13 0.05 0.14 -1.86 116.97 117.42 2dft h TYR 140 Ca -0.15 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2dft h TYR 140 Cb 1.87 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.47 2dft h TYR 140 CO 0.09 1.09 0.00 0.54 -1.05 0.00 0.00 178.16 178.83 2dft n ARG 141 N -3.92 0.27 0.00 4.88 1.74 -0.03 -2.02 116.66 117.58 2dft n ARG 141 Ca -0.05 0.11 0.03 0.00 -0.77 0.00 0.00 57.85 57.18 2dft n ARG 141 Cb 0.67 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 2dft n ARG 141 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2dft n ARG 142 N -1.22 4.52 -0.00 5.56 0.63 -0.71 -4.42 116.66 121.02 2dft n ARG 142 Ca 0.08 -0.06 0.01 0.00 -0.92 0.00 0.00 57.85 56.96 2dft n ARG 142 Cb 0.10 -0.83 -0.01 0.00 0.45 0.00 0.00 32.46 32.17 2dft n ARG 142 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2dft n VAL 143 N -1.06 0.00 -1.64 5.15 0.24 -0.92 -5.05 118.33 115.05 2dft n VAL 143 Ca 0.01 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.34 61.79 2dft n VAL 143 Cb 0.11 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 2dft n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dft n ALA 144 N -1.52 0.41 0.88 2.33 0.00 -0.86 -4.76 120.51 116.99 2dft n ALA 144 Ca -0.00 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.99 2dft n ALA 144 Cb 0.04 -2.19 0.13 0.00 0.00 0.00 0.00 19.45 17.43 2dft n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dft n THR 145 N 1.97 0.06 -3.62 0.00 -2.24 -0.60 -4.86 114.28 105.00 2dft n THR 145 Ca 0.14 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 2dft n THR 145 Cb 0.28 0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.70 2dft n THR 145 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2dft s MET 146 N -3.05 0.05 0.38 -0.78 -2.45 -0.83 -4.92 119.30 107.70 2dft s MET 146 Ca 0.09 0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.80 2dft s MET 146 Cb 0.16 -0.89 -0.04 0.00 1.25 0.00 0.00 34.83 35.31 2dft s MET 146 CO 0.75 -0.47 0.63 1.03 1.05 0.00 0.00 175.02 178.01 2dft s ARG 147 N 2.24 3.53 -0.28 4.11 0.52 -1.26 -0.10 118.95 127.70 2dft s ARG 147 Ca 0.04 -0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 2dft s ARG 147 Cb -0.14 -2.56 0.09 0.00 0.52 0.00 0.00 34.95 32.85 2dft s ARG 147 CO -0.07 0.04 0.69 0.08 0.02 0.00 0.00 175.30 176.06 2dft s VAL 148 N -2.42 -0.10 -0.79 3.52 1.01 -1.00 -4.89 120.40 115.72 2dft s VAL 148 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 2dft s VAL 148 Cb -0.10 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.39 2dft s VAL 148 CO 0.38 0.00 1.02 -0.62 0.00 0.00 0.00 175.10 175.88 2dft s ASP 149 N 1.76 6.41 0.00 3.32 2.15 -1.26 0.36 116.67 129.40 2dft s ASP 149 Ca -0.10 -1.58 0.24 0.00 0.43 0.00 0.00 52.55 51.55 2dft s ASP 149 Cb -0.06 -2.40 1.16 0.00 -0.30 0.00 0.00 42.92 41.33 2dft s ASP 149 CO -0.20 -1.22 1.78 0.35 -0.17 0.00 0.00 175.17 175.71 2dft n THR 150 N 5.67 0.06 0.24 1.71 -2.24 -0.97 -3.77 114.28 114.98 2dft n THR 150 Ca 0.10 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 2dft n THR 150 Cb 0.47 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 2dft n THR 150 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2dft h ASN 151 N 1.07 -0.52 0.00 3.42 2.35 -1.90 -3.36 115.58 116.65 2dft h ASN 151 Ca 0.00 -0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 2dft h ASN 151 Cb 0.23 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2dft h ASN 151 CO 0.00 -0.23 -1.38 -1.14 -1.65 0.00 0.00 177.43 173.03 2dft n ARG 152 N -5.28 0.54 -0.96 0.81 3.00 -1.26 -4.98 116.66 108.53 2dft n ARG 152 Ca -0.11 0.41 -0.31 0.00 -0.00 0.00 0.00 57.85 57.84 2dft n ARG 152 Cb 0.29 -1.61 -0.01 0.00 0.00 0.00 0.00 32.46 31.14 2dft n ARG 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dft n ARG 153 N -4.43 0.00 -2.81 -0.14 1.74 -1.25 -4.97 116.66 104.80 2dft n ARG 153 Ca -0.29 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.57 2dft n ARG 153 Cb 0.61 -0.73 0.02 0.00 -1.02 0.00 0.00 32.46 31.34 2dft n ARG 153 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2dft s ASN 154 N -0.73 5.62 -0.07 0.55 2.20 -1.26 -4.84 114.94 116.41 2dft s ASN 154 Ca 0.44 0.23 -0.21 0.00 -0.94 0.00 0.00 52.86 52.38 2dft s ASN 154 Cb -0.50 -1.33 -0.16 0.00 -2.00 0.00 0.00 41.25 37.25 2dft s ASN 154 CO 0.45 -0.88 0.80 -0.65 -2.94 0.00 0.00 177.10 173.87 2dft h PRO 155 N 0.23 -0.13 -0.95 3.55 0.11 -1.93 -1.38 132.00 131.50 2dft h PRO 155 Ca -0.45 0.01 0.28 0.00 0.11 0.00 0.00 66.00 65.95 2dft h PRO 155 Cb 1.27 0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 2dft h PRO 155 CO 0.56 0.37 0.17 0.78 -0.21 0.00 0.00 178.00 179.67 2dft h GLY 156 N -0.87 1.44 0.83 -0.55 0.00 -1.99 0.12 103.07 102.05 2dft h GLY 156 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2dft h GLY 156 CO 0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 176.54 175.92 2dft h ALA 157 N 1.92 -0.37 -0.84 3.60 0.00 -1.96 0.14 119.26 121.75 2dft h ALA 157 Ca 0.62 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.68 2dft h ALA 157 Cb 1.35 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 2dft h ALA 157 CO -0.81 -0.62 0.23 0.28 0.00 0.00 0.00 179.25 178.32 2dft n VAL 158 N -5.18 -0.35 0.12 0.00 0.31 -0.33 -0.28 118.33 112.62 2dft n VAL 158 Ca -0.10 1.79 -0.03 0.00 -0.01 0.00 0.00 64.34 65.99 2dft n VAL 158 Cb 0.22 -2.74 0.12 0.00 -0.91 0.00 0.00 33.84 30.52 2dft n VAL 158 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2dft h VAL 159 N 0.00 1.49 0.00 2.52 2.07 0.18 -2.76 116.25 119.75 2dft h VAL 159 Ca 0.61 -2.33 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 2dft h VAL 159 Cb 1.45 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 2dft h VAL 159 CO -0.72 0.67 -1.12 0.08 0.02 0.00 0.00 177.57 176.49 2dft h ARG 160 N 0.01 0.00 0.00 1.57 0.11 -0.01 -1.46 114.38 114.61 2dft h ARG 160 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2dft h ARG 160 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2dft h ARG 160 CO 0.09 0.29 0.00 1.58 0.10 0.00 0.00 179.97 182.03 2dft n HIS 161 N -2.94 0.00 -0.07 4.08 -0.00 -0.33 -0.38 115.22 115.58 2dft n HIS 161 Ca -0.05 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.06 2dft n HIS 161 Cb 0.77 -0.46 -0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2dft n HIS 161 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 2dft h ILE 162 N 0.00 0.54 -0.67 3.57 2.04 -1.51 -1.58 117.51 119.89 2dft h ILE 162 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2dft h ILE 162 Cb 0.00 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2dft h ILE 162 CO 0.00 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.53 2dft h LEU 163 N -0.11 0.40 -0.12 1.44 3.38 -0.95 0.27 115.31 119.62 2dft h LEU 163 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dft h LEU 163 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dft h LEU 163 CO -0.37 0.23 -0.10 -1.54 0.09 0.00 0.00 178.44 176.75 2dft n SER 164 N -4.47 0.29 -0.01 -0.43 3.41 0.49 -3.13 113.62 109.76 2dft n SER 164 Ca 0.12 -0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.28 2dft n SER 164 Cb 0.43 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.08 2dft n SER 164 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dft h ARG 165 N 0.30 0.12 0.00 4.33 -0.00 -0.95 -3.51 114.38 114.66 2dft h ARG 165 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 2dft h ARG 165 Cb 0.36 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.41 2dft h ARG 165 CO 0.00 0.81 0.00 1.28 0.00 0.00 0.00 179.97 182.06