#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnx n ASP 6 N 0.00 6.01 -4.63 -1.43 3.85 -1.26 -4.99 116.55 114.10 3dnx n ASP 6 Ca 0.00 -3.36 -0.33 0.00 -0.71 0.00 0.00 54.79 50.38 3dnx n ASP 6 Cb 0.00 -1.22 -0.10 0.00 -1.35 0.00 0.00 41.12 38.45 3dnx n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3dnx s LEU 7 N -2.54 3.33 0.79 -2.12 1.43 -1.26 -5.13 118.68 113.17 3dnx s LEU 7 Ca 0.32 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 3dnx s LEU 7 Cb 0.04 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.49 3dnx s LEU 7 CO 0.07 0.32 1.09 -1.10 0.23 0.00 0.00 176.35 176.95 3dnx s GLN 8 N -1.19 2.13 0.23 1.70 -1.52 -1.26 -4.78 119.66 114.98 3dnx s GLN 8 Ca 0.16 0.89 -0.06 0.00 -1.95 0.00 0.00 55.36 54.40 3dnx s GLN 8 Cb -0.11 -1.90 0.40 0.00 -0.22 0.00 0.00 33.01 31.18 3dnx s GLN 8 CO 0.06 -1.65 1.74 -1.35 -0.25 0.00 0.00 175.29 173.83 3dnx h PRO 9 N -1.12 0.43 -0.35 2.91 0.11 -2.00 -1.17 132.00 130.81 3dnx h PRO 9 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3dnx h PRO 9 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3dnx h PRO 9 CO 0.55 0.29 -0.05 0.78 -0.21 0.00 0.00 178.00 179.37 3dnx h GLY 10 N 0.45 0.62 1.75 -0.55 0.00 -1.93 -2.36 103.07 101.04 3dnx h GLY 10 Ca 0.38 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 3dnx h GLY 10 CO -0.37 0.37 -0.32 1.46 0.00 0.00 0.00 176.54 177.68 3dnx h GLN 11 N 0.54 0.29 0.25 4.80 4.20 -1.62 -1.41 115.11 122.16 3dnx h GLN 11 Ca 0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3dnx h GLN 11 Cb 0.42 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3dnx h GLN 11 CO 0.02 0.59 -0.12 0.00 -0.67 0.00 0.00 178.83 178.64 3dnx h ARG 12 N 0.26 -0.33 -0.70 1.46 3.08 -0.75 -1.53 114.38 115.87 3dnx h ARG 12 Ca 0.03 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.17 3dnx h ARG 12 Cb 0.70 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 3dnx h ARG 12 CO 0.05 -0.13 0.39 -0.07 -1.07 0.00 0.00 179.97 179.14 3dnx h LEU 13 N -0.46 0.58 -1.30 3.04 3.38 -1.34 -2.08 115.31 117.13 3dnx h LEU 13 Ca -0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dnx h LEU 13 Cb 0.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3dnx h LEU 13 CO 0.06 0.36 -0.05 0.00 0.09 0.00 0.00 178.44 178.90 3dnx h ALA 14 N 1.37 1.43 -0.33 1.53 0.00 -1.11 -0.08 119.26 122.06 3dnx h ALA 14 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dnx h ALA 14 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dnx h ALA 14 CO -0.19 0.40 0.20 -0.09 0.00 0.00 0.00 179.25 179.57 3dnx h ARG 15 N 0.39 0.45 -0.51 0.00 2.43 -0.59 -0.76 114.38 115.79 3dnx h ARG 15 Ca 0.08 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3dnx h ARG 15 Cb 0.35 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3dnx h ARG 15 CO 0.01 0.34 -0.12 0.78 -1.51 0.00 0.00 179.97 179.48 3dnx h GLY 16 N 0.43 1.04 0.99 2.80 0.00 -1.05 -1.72 103.07 105.57 3dnx h GLY 16 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3dnx h GLY 16 CO -0.02 0.77 0.13 -2.08 0.00 0.00 0.00 176.54 175.34 3dnx h VAL 17 N 0.86 1.07 -0.77 4.60 2.07 -0.95 -1.81 116.25 121.32 3dnx h VAL 17 Ca 0.13 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3dnx h VAL 17 Cb 0.67 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3dnx h VAL 17 CO 0.05 0.07 0.50 0.00 0.02 0.00 0.00 177.57 178.21 3dnx h ALA 18 N 1.06 0.99 -0.35 1.67 0.00 -0.93 0.60 119.26 122.29 3dnx h ALA 18 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dnx h ALA 18 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3dnx h ALA 18 CO -0.02 0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.74 3dnx h ARG 19 N 1.00 0.32 -0.29 0.00 3.08 -1.11 -1.75 114.38 115.63 3dnx h ARG 19 Ca 0.29 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 3dnx h ARG 19 Cb -0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3dnx h ARG 19 CO -0.08 0.21 -0.39 1.25 -1.07 0.00 0.00 179.97 179.89 3dnx h HIS 20 N 0.33 0.95 -0.59 3.04 2.76 -0.80 -1.66 115.15 119.18 3dnx h HIS 20 Ca 0.15 -0.31 0.06 0.00 -2.20 0.00 0.00 60.37 58.07 3dnx h HIS 20 Cb 0.08 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 3dnx h HIS 20 CO -0.11 1.09 0.29 -0.07 -1.30 0.00 0.00 177.93 177.83 3dnx h LEU 21 N 0.53 0.39 -0.58 0.26 3.38 -0.85 -2.76 115.31 115.68 3dnx h LEU 21 Ca 0.03 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3dnx h LEU 21 Cb 0.98 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3dnx h LEU 21 CO 0.09 0.26 -0.05 -0.09 0.09 0.00 0.00 178.44 178.74 3dnx h ARG 22 N 0.54 1.06 -0.27 1.13 2.43 -1.07 -1.24 114.38 116.96 3dnx h ARG 22 Ca 0.27 -0.36 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3dnx h ARG 22 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3dnx h ARG 22 CO -0.21 1.06 0.25 0.00 -1.51 0.00 0.00 179.97 179.57 3dnx h ALA 23 N 0.96 2.03 -0.47 2.80 0.00 -1.05 -2.28 119.26 121.24 3dnx h ALA 23 Ca 0.16 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 3dnx h ALA 23 Cb 0.62 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.29 3dnx h ALA 23 CO 0.04 -0.39 0.06 0.72 0.00 0.00 0.00 179.25 179.68 3dnx n HIS 24 N -4.01 1.47 -0.98 0.00 8.25 -0.59 -4.97 115.22 114.39 3dnx n HIS 24 Ca 0.04 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 3dnx n HIS 24 Cb 0.40 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3dnx n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dnx n GLY 25 N -1.10 0.65 3.92 -1.41 0.00 -0.86 -5.00 105.19 101.39 3dnx n GLY 25 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.13 3dnx n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dnx s PHE 26 N -2.69 3.44 0.35 1.61 0.40 -0.57 -4.04 117.98 116.48 3dnx s PHE 26 Ca 0.00 0.68 0.05 0.00 -0.60 0.00 0.00 56.93 57.05 3dnx s PHE 26 Cb 0.00 -2.40 -0.07 0.00 0.51 0.00 0.00 43.02 41.06 3dnx s PHE 26 CO 0.00 -0.42 0.05 0.14 0.70 0.00 0.00 175.22 175.69 3dnx s VAL 27 N -2.77 1.40 0.11 -0.44 -7.23 -0.37 -3.54 120.40 107.56 3dnx s VAL 27 Ca 0.49 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 3dnx s VAL 27 Cb -0.10 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.04 3dnx s VAL 27 CO 0.44 0.00 0.38 -0.94 -0.31 0.00 0.00 175.10 174.67 3dnx s SER 28 N -3.56 -0.21 0.16 4.85 1.04 -1.26 -0.40 113.70 114.32 3dnx s SER 28 Ca 0.35 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.50 3dnx s SER 28 Cb 0.09 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 3dnx s SER 28 CO 0.16 -0.82 -0.04 0.68 0.98 0.00 0.00 173.24 174.20 3dnx s VAL 29 N -3.66 0.88 0.13 5.02 -7.23 -1.26 -5.02 120.40 109.25 3dnx s VAL 29 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 3dnx s VAL 29 Cb 0.02 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3dnx s VAL 29 CO -0.11 -0.59 0.03 -1.61 -0.31 0.00 0.00 175.10 172.52 3dnx s GLU 30 N -3.85 2.61 -1.22 4.82 2.02 -1.26 -4.32 118.70 117.49 3dnx s GLU 30 Ca 0.21 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 3dnx s GLU 30 Cb 0.05 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 3dnx s GLU 30 CO 0.02 0.51 0.82 0.39 0.02 0.00 0.00 175.26 177.02 3dnx n GLU 31 N 0.20 -4.55 -3.11 1.61 -0.58 -0.75 -4.95 120.64 108.52 3dnx n GLU 31 Ca -0.10 0.70 -0.39 0.00 -0.42 0.00 0.00 57.16 56.95 3dnx n GLU 31 Cb 0.53 -5.35 -0.06 0.00 -0.57 0.00 0.00 31.44 26.00 3dnx n GLU 31 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3dnx s PHE 32 N -3.53 3.75 -0.48 -0.32 2.19 -0.40 -4.80 117.98 114.40 3dnx s PHE 32 Ca 0.12 1.37 -0.09 0.00 0.33 0.00 0.00 56.93 58.66 3dnx s PHE 32 Cb -0.03 -2.69 0.12 0.00 -1.31 0.00 0.00 43.02 39.12 3dnx s PHE 32 CO 0.78 0.39 0.35 0.08 1.83 0.00 0.00 175.22 178.66 3dnx s VAL 33 N -0.43 4.23 -0.32 3.12 1.01 -1.26 -0.05 120.40 126.70 3dnx s VAL 33 Ca 0.34 -1.81 0.25 0.00 0.00 0.00 0.00 61.98 60.77 3dnx s VAL 33 Cb -0.20 -3.79 0.35 0.00 0.00 0.00 0.00 36.38 32.74 3dnx s VAL 33 CO 0.21 -0.78 1.70 1.55 0.00 0.00 0.00 175.10 177.77 3dnx h PRO 34 N 8.43 0.00 -1.92 2.72 0.13 -1.97 -3.47 132.00 135.93 3dnx h PRO 34 Ca -0.21 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.04 3dnx h PRO 34 Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 3dnx h PRO 34 CO 0.86 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 179.19 3dnx s ALA 35 N -3.31 -1.89 0.13 -0.56 0.00 -1.26 -5.02 121.76 109.85 3dnx s ALA 35 Ca 0.06 1.30 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 3dnx s ALA 35 Cb 0.06 -0.06 -0.17 0.00 0.00 0.00 0.00 23.12 22.95 3dnx s ALA 35 CO 0.64 -0.54 1.14 0.54 0.00 0.00 0.00 175.76 177.54 3dnx n ARG 36 N 0.13 0.91 -0.72 0.00 1.74 -1.26 -1.77 116.66 115.69 3dnx n ARG 36 Ca -0.08 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3dnx n ARG 36 Cb 0.60 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3dnx n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dnx n GLY 37 N 2.03 1.32 3.38 -0.13 0.00 -1.26 -5.02 105.19 105.50 3dnx n GLY 37 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3dnx n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dnx s LEU 38 N 0.00 2.31 -0.11 0.99 1.43 -0.73 -5.13 118.68 117.44 3dnx s LEU 38 Ca 0.00 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 3dnx s LEU 38 Cb 0.00 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 45.07 3dnx s LEU 38 CO 0.00 0.17 0.27 -0.60 0.23 0.00 0.00 176.35 176.43 3dnx s ARG 39 N -2.00 0.26 -0.00 1.70 3.52 -1.26 -4.23 118.95 116.93 3dnx s ARG 39 Ca 0.13 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.29 3dnx s ARG 39 Cb -0.10 -0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 3dnx s ARG 39 CO 0.06 -0.14 -0.04 0.14 -0.81 0.00 0.00 175.30 174.51 3dnx s VAL 40 N 1.04 3.87 0.08 7.11 -7.23 0.93 -4.92 120.40 121.28 3dnx s VAL 40 Ca -0.07 -0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 3dnx s VAL 40 Cb -0.08 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.06 3dnx s VAL 40 CO -0.07 0.40 1.50 0.44 -0.31 0.00 0.00 175.10 177.05 3dnx h ASP 41 N 4.48 0.40 -1.31 4.85 3.32 -1.88 -1.00 116.42 125.28 3dnx h ASP 41 Ca -0.49 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.24 3dnx h ASP 41 Cb 1.17 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3dnx h ASP 41 CO 0.55 0.63 0.00 0.52 -1.72 0.00 0.00 179.24 179.22 3dnx n VAL 42 N -4.65 0.00 -3.64 -1.35 0.31 -0.52 -1.81 118.33 106.68 3dnx n VAL 42 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.19 3dnx n VAL 42 Cb 0.25 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.11 3dnx n VAL 42 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3dnx s GLY 44 N -0.56 -0.21 -0.15 2.92 0.00 0.51 -0.87 107.32 108.95 3dnx s GLY 44 Ca 0.00 2.57 0.01 0.00 0.00 0.00 0.00 44.72 47.30 3dnx s GLY 44 CO 0.00 1.80 -0.17 -2.27 0.00 0.00 0.00 173.10 172.47 3dnx s LEU 45 N 0.21 1.85 0.58 0.66 2.96 0.46 -1.12 118.68 124.29 3dnx s LEU 45 Ca 0.03 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3dnx s LEU 45 Cb -0.05 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3dnx s LEU 45 CO -0.05 -0.02 0.93 -0.83 -1.32 0.00 0.00 176.35 175.05 3dnx s GLY 46 N 1.32 1.59 0.38 7.98 0.00 -0.16 -1.24 107.32 117.19 3dnx s GLY 46 Ca 0.03 -0.47 0.27 0.00 0.00 0.00 0.00 44.72 44.55 3dnx s GLY 46 CO -0.10 -0.21 1.83 -0.56 0.00 0.00 0.00 173.10 174.06 3dnx h PRO 47 N -0.17 0.00 -0.39 2.90 0.13 -1.90 -1.01 132.00 131.56 3dnx h PRO 47 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dnx h PRO 47 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3dnx h PRO 47 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 3dnx n LYS 48 N -2.50 3.07 -0.56 0.86 5.02 -1.26 -4.95 118.16 117.84 3dnx n LYS 48 Ca 0.00 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 3dnx n LYS 48 Cb 0.16 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3dnx n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dnx n GLY 49 N 0.32 0.69 3.76 0.72 0.00 -0.38 -5.05 105.19 105.24 3dnx n GLY 49 Ca 0.18 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3dnx n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dnx s GLU 50 N -0.75 4.21 -0.17 1.61 8.01 -1.26 -4.74 118.70 125.62 3dnx s GLU 50 Ca 0.00 2.42 -0.01 0.00 0.01 0.00 0.00 54.97 57.39 3dnx s GLU 50 Cb 0.00 -3.05 -0.00 0.00 -4.31 0.00 0.00 34.13 26.77 3dnx s GLU 50 CO 0.00 -0.46 -0.13 0.42 0.01 0.00 0.00 175.26 175.11 3dnx s ILE 51 N -0.48 2.82 -0.06 -1.63 1.01 -1.26 -0.98 121.20 120.62 3dnx s ILE 51 Ca 0.57 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.56 3dnx s ILE 51 Cb -0.44 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3dnx s ILE 51 CO 0.51 0.50 -0.19 0.26 0.00 0.00 0.00 174.94 176.01 3dnx s TRP 52 N 0.98 2.58 -0.15 3.97 0.52 -0.27 0.05 118.94 126.62 3dnx s TRP 52 Ca -0.02 -0.48 -0.03 0.00 0.02 0.00 0.00 56.10 55.59 3dnx s TRP 52 Cb -0.15 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3dnx s TRP 52 CO -0.02 -0.06 -0.05 0.08 0.02 0.00 0.00 176.95 176.92 3dnx s VAL 53 N -0.32 3.75 -0.16 4.03 1.01 -0.63 -0.37 120.40 127.70 3dnx s VAL 53 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3dnx s VAL 53 Cb -0.13 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.66 3dnx s VAL 53 CO 0.02 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3dnx s ILE 54 N 0.31 1.56 -0.25 2.22 1.09 -0.05 -0.61 121.20 125.47 3dnx s ILE 54 Ca -0.05 -0.74 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 3dnx s ILE 54 Cb -0.14 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.69 3dnx s ILE 54 CO 0.03 0.36 0.31 -1.61 -0.10 0.00 0.00 174.94 173.93 3dnx s GLU 55 N 1.47 4.06 -0.50 2.79 0.41 -0.30 -1.44 118.70 125.20 3dnx s GLU 55 Ca 0.03 -0.03 -0.16 0.00 -0.41 0.00 0.00 54.97 54.39 3dnx s GLU 55 Cb -0.14 -3.60 0.08 0.00 -1.78 0.00 0.00 34.13 28.70 3dnx s GLU 55 CO -0.10 -0.13 0.48 0.00 -0.49 0.00 0.00 175.26 175.02 3dnx s LYS 57 N 1.88 3.63 0.00 0.00 -0.14 -0.23 -4.83 119.74 120.05 3dnx s LYS 57 Ca 0.06 -0.51 0.24 0.00 -1.36 0.00 0.00 55.97 54.41 3dnx s LYS 57 Cb -0.25 -3.42 0.40 0.00 -1.68 0.00 0.00 37.83 32.89 3dnx s LYS 57 CO 0.07 -0.23 1.34 -1.13 -0.76 0.00 0.00 175.35 174.63 3dnx n SER 58 N 4.95 0.73 -3.51 2.83 3.41 -1.26 -4.49 113.62 116.28 3dnx n SER 58 Ca -0.15 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 57.81 3dnx n SER 58 Cb 0.51 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3dnx n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dnx s SER 59 N -2.89 -0.45 0.30 4.04 1.04 -1.26 -4.94 113.70 109.53 3dnx s SER 59 Ca 0.13 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3dnx s SER 59 Cb 0.18 0.57 0.67 0.00 0.10 0.00 0.00 66.02 67.53 3dnx s SER 59 CO 0.69 -0.96 1.81 0.03 0.98 0.00 0.00 173.24 175.79 3dnx h ARG 60 N 2.11 0.84 -0.69 4.02 3.08 -1.99 -2.09 114.38 119.66 3dnx h ARG 60 Ca -0.33 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 3dnx h ARG 60 Cb 1.29 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 3dnx h ARG 60 CO 0.40 0.55 0.22 0.00 -1.07 0.00 0.00 179.97 180.07 3dnx h ALA 61 N 1.60 1.09 -0.88 0.04 0.00 -1.99 0.31 119.26 119.44 3dnx h ALA 61 Ca 0.54 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3dnx h ALA 61 Cb 0.71 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3dnx h ALA 61 CO -0.32 0.62 0.58 0.22 0.00 0.00 0.00 179.25 180.35 3dnx h ASP 62 N 1.01 0.96 -0.11 0.00 3.58 -1.79 -1.58 116.42 118.49 3dnx h ASP 62 Ca 0.23 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.48 3dnx h ASP 62 Cb 0.27 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.11 3dnx h ASP 62 CO -0.01 0.66 -0.64 0.15 -2.88 0.00 0.00 179.24 176.53 3dnx h PHE 63 N 1.11 0.85 -0.91 0.28 3.57 -0.98 -3.13 116.94 117.74 3dnx h PHE 63 Ca 0.35 -0.39 0.09 0.00 3.53 0.00 0.00 57.97 61.55 3dnx h PHE 63 Cb 0.00 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 3dnx h PHE 63 CO -0.00 1.19 0.59 1.96 -2.23 0.00 0.00 178.31 179.82 3dnx h GLN 64 N 0.27 0.90 0.00 1.11 4.20 -0.51 -1.59 115.11 119.49 3dnx h GLN 64 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3dnx h GLN 64 Cb 1.28 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3dnx h GLN 64 CO 0.13 0.59 -0.01 0.00 -0.67 0.00 0.00 178.83 178.88 3dnx h ALA 65 N 1.54 1.00 -0.68 3.87 0.00 -1.26 -3.26 119.26 120.49 3dnx h ALA 65 Ca 0.42 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.85 3dnx h ALA 65 Cb 0.38 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.98 3dnx h ALA 65 CO -0.18 0.01 0.59 -3.47 0.00 0.00 0.00 179.25 176.20 3dnx n ASP 66 N -3.10 6.93 0.05 0.00 2.03 -0.60 -4.70 116.55 117.16 3dnx n ASP 66 Ca 0.01 -3.35 0.11 0.00 0.52 0.00 0.00 54.79 52.07 3dnx n ASP 66 Cb 0.31 -1.05 0.56 0.00 -0.72 0.00 0.00 41.12 40.22 3dnx n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dnx h ALA 67 N 1.85 2.03 -0.38 -1.67 0.00 -1.71 -2.16 119.26 117.22 3dnx h ALA 67 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 3dnx h ALA 67 Cb 0.82 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3dnx h ALA 67 CO 1.08 -0.11 0.16 1.63 0.00 0.00 0.00 179.25 182.00 3dnx n LYS 68 N -4.47 2.25 0.15 0.00 4.76 -1.26 -4.55 118.16 115.03 3dnx n LYS 68 Ca 0.05 -1.49 0.13 0.00 -2.87 0.00 0.00 58.31 54.13 3dnx n LYS 68 Cb 0.27 -1.72 0.66 0.00 -1.84 0.00 0.00 35.03 32.39 3dnx n LYS 68 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 3dnx h TRP 69 N 1.21 0.01 -0.06 2.13 5.08 -1.78 0.22 115.95 122.76 3dnx h TRP 69 Ca 0.15 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.14 3dnx h TRP 69 Cb 1.56 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.71 3dnx h TRP 69 CO 0.65 0.01 0.12 1.96 -1.28 0.00 0.00 178.44 179.90 3dnx h GLN 70 N 0.01 0.00 0.00 0.12 4.20 -1.87 -0.76 115.11 116.82 3dnx h GLN 70 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dnx h GLN 70 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3dnx h GLN 70 CO -0.00 0.00 0.00 0.78 -0.67 0.00 0.00 178.83 178.94 3dnx h GLY 71 N 0.00 0.00 2.00 3.46 0.00 -1.32 -2.40 103.07 104.80 3dnx h GLY 71 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3dnx h GLY 71 CO -0.00 0.00 -0.13 -0.97 0.00 0.00 0.00 176.54 175.44 3dnx h TYR 72 N 0.00 0.00 -0.90 5.60 0.99 -1.30 -3.37 116.97 117.99 3dnx h TYR 72 Ca 0.00 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 3dnx h TYR 72 Cb 0.33 0.00 -0.06 0.00 1.00 0.00 0.00 36.73 38.00 3dnx h TYR 72 CO 0.00 0.13 0.57 -0.07 -0.00 0.00 0.00 178.16 178.79 3dnx h LEU 73 N 0.00 0.91 0.00 3.88 3.38 -1.56 -1.63 115.31 120.30 3dnx h LEU 73 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dnx h LEU 73 Cb 0.79 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3dnx h LEU 73 CO 0.02 0.59 0.00 -1.84 0.09 0.00 0.00 178.44 177.30 3dnx n GLU 74 N -4.57 0.25 -0.32 1.13 0.28 -1.26 -2.80 120.64 113.36 3dnx n GLU 74 Ca 0.13 0.12 0.07 0.00 -0.16 0.00 0.00 57.16 57.32 3dnx n GLU 74 Cb 0.16 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.74 3dnx n GLU 74 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3dnx n TRP 75 N -1.25 0.73 -3.70 -1.84 7.02 -0.61 -5.01 117.44 112.78 3dnx n TRP 75 Ca 0.08 -0.66 -0.10 0.00 -1.02 0.00 0.00 57.50 55.80 3dnx n TRP 75 Cb 0.11 -0.16 -0.05 0.00 -2.42 0.00 0.00 31.31 28.80 3dnx n TRP 75 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dnx h ASP 77 N 2.34 0.65 -3.66 0.00 3.32 -0.59 -3.41 116.42 115.07 3dnx h ASP 77 Ca -0.32 -0.74 -0.27 0.00 0.02 0.00 0.00 57.03 55.71 3dnx h ASP 77 Cb 1.25 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.29 3dnx h ASP 77 CO 0.45 1.59 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.69 3dnx s ARG 78 N -2.62 0.08 -0.13 3.56 0.52 -1.01 -0.58 118.95 118.77 3dnx s ARG 78 Ca -0.08 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 3dnx s ARG 78 Cb 0.05 -0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 3dnx s ARG 78 CO 0.91 -0.05 -0.14 -0.47 0.02 0.00 0.00 175.30 175.56 3dnx s TYR 79 N 0.42 2.78 0.06 -0.53 5.04 -1.26 -1.60 117.35 122.26 3dnx s TYR 79 Ca -0.04 -0.74 0.05 0.00 -2.44 0.00 0.00 57.07 53.91 3dnx s TYR 79 Cb -0.06 -1.84 -0.03 0.00 0.35 0.00 0.00 41.96 40.39 3dnx s TYR 79 CO -0.01 -0.27 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.72 3dnx s PHE 80 N 0.42 1.25 0.15 4.97 0.08 0.22 -1.42 117.98 123.66 3dnx s PHE 80 Ca -0.11 -0.42 -0.08 0.00 0.12 0.00 0.00 56.93 56.44 3dnx s PHE 80 Cb -0.16 -0.72 -0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3dnx s PHE 80 CO 0.05 0.06 0.44 -1.58 -0.10 0.00 0.00 175.22 174.09 3dnx s TRP 81 N -1.11 3.49 -0.10 0.36 0.52 -0.46 -1.15 118.94 120.50 3dnx s TRP 81 Ca -0.00 0.73 0.01 0.00 0.02 0.00 0.00 56.10 56.85 3dnx s TRP 81 Cb -0.09 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.11 3dnx s TRP 81 CO 0.02 0.40 -0.09 0.00 0.02 0.00 0.00 176.95 177.30 3dnx s ALA 82 N -1.64 1.31 0.13 0.98 0.00 0.30 -0.62 121.76 122.23 3dnx s ALA 82 Ca 0.41 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3dnx s ALA 82 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3dnx s ALA 82 CO 0.22 -0.22 0.04 0.14 0.00 0.00 0.00 175.76 175.93 3dnx s VAL 83 N 1.31 0.21 0.00 0.00 -7.23 -0.89 -1.07 120.40 112.73 3dnx s VAL 83 Ca -0.02 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3dnx s VAL 83 Cb -0.14 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3dnx s VAL 83 CO -0.04 -0.54 0.00 -0.90 -0.31 0.00 0.00 175.10 173.31 3dnx n ASP 84 N -0.09 0.00 0.00 4.85 5.68 -1.25 -0.61 116.55 125.13 3dnx n ASP 84 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 3dnx n ASP 84 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3dnx n ASP 84 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dnx n GLU 86 N 0.00 0.00 -2.28 0.11 4.71 -1.26 -4.86 120.64 117.05 3dnx n GLU 86 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 3dnx n GLU 86 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3dnx n GLU 86 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3dnx s PHE 87 N 0.00 3.30 -1.25 -0.32 5.36 -1.26 -4.94 117.98 118.87 3dnx s PHE 87 Ca 0.00 1.49 -0.19 0.00 -0.96 0.00 0.00 56.93 57.27 3dnx s PHE 87 Cb 0.00 -3.50 0.01 0.00 -0.34 0.00 0.00 43.02 39.18 3dnx s PHE 87 CO 0.00 -1.33 1.89 -0.35 -1.46 0.00 0.00 175.22 173.97 3dnx n PRO 88 N 1.34 2.60 0.07 10.12 -0.04 -1.26 -4.82 135.00 143.02 3dnx n PRO 88 Ca 0.01 -2.84 0.20 0.00 -0.04 0.00 0.00 63.50 60.83 3dnx n PRO 88 Cb 0.43 -3.47 0.74 0.00 -0.04 0.00 0.00 33.50 31.16 3dnx n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dnx h ALA 89 N 7.86 2.22 0.00 0.55 0.00 -1.92 -1.88 119.26 126.09 3dnx h ALA 89 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3dnx h ALA 89 Cb 0.83 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3dnx h ALA 89 CO 1.52 -0.58 -0.04 0.93 0.00 0.00 0.00 179.25 181.08 3dnx h GLU 90 N 0.00 0.00 0.00 0.00 5.08 -2.02 -2.04 114.58 115.60 3dnx h GLU 90 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3dnx h GLU 90 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3dnx h GLU 90 CO -0.00 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 3dnx n LEU 91 N -3.35 0.79 -4.79 1.33 4.77 -0.71 -4.85 117.00 110.19 3dnx n LEU 91 Ca -0.02 0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 56.22 3dnx n LEU 91 Cb 0.17 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3dnx n LEU 91 CO 0.25 -0.26 0.73 -0.76 -1.33 0.00 0.00 177.39 176.02 3dnx s LEU 92 N -4.54 3.79 0.13 2.23 1.43 -0.77 -4.95 118.68 116.01 3dnx s LEU 92 Ca 0.09 1.97 -0.35 0.00 -1.03 0.00 0.00 54.13 54.82 3dnx s LEU 92 Cb 0.12 -4.56 -0.16 0.00 0.03 0.00 0.00 46.19 41.62 3dnx s LEU 92 CO 0.56 -0.91 1.38 -2.65 0.23 0.00 0.00 176.35 174.95 3dnx n PRO 93 N -1.13 1.46 0.19 1.29 -0.02 -1.26 -4.87 135.00 130.67 3dnx n PRO 93 Ca 0.10 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 3dnx n PRO 93 Cb 0.52 -2.18 0.55 0.00 -0.02 0.00 0.00 33.50 32.37 3dnx n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dnx h ALA 94 N 4.68 1.84 0.00 3.55 0.00 -1.92 -2.72 119.26 124.69 3dnx h ALA 94 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3dnx h ALA 94 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dnx h ALA 94 CO 0.79 0.13 -0.14 0.39 0.00 0.00 0.00 179.25 180.42 3dnx n GLU 95 N -4.46 0.05 -2.44 0.00 -0.58 -1.26 -4.86 120.64 107.09 3dnx n GLU 95 Ca -0.02 0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3dnx n GLU 95 Cb 0.13 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 3dnx n GLU 95 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3dnx s SER 96 N -3.25 6.64 0.80 1.62 0.01 -1.03 -4.26 113.70 114.23 3dnx s SER 96 Ca 0.13 1.59 -0.11 0.00 1.31 0.00 0.00 55.95 58.86 3dnx s SER 96 Cb 0.18 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.96 3dnx s SER 96 CO 0.58 -0.57 1.09 -0.83 0.41 0.00 0.00 173.24 173.92 3dnx s GLY 97 N -2.96 1.64 -0.12 3.44 0.00 -0.51 -4.74 107.32 104.07 3dnx s GLY 97 Ca 0.59 -0.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 3dnx s GLY 97 CO 0.29 0.36 0.29 -2.27 0.00 0.00 0.00 173.10 171.77 3dnx s LEU 98 N -5.86 0.28 0.01 0.66 2.96 0.74 -1.35 118.68 116.13 3dnx s LEU 98 Ca 0.61 0.62 0.07 0.00 -0.22 0.00 0.00 54.13 55.20 3dnx s LEU 98 Cb -0.16 0.89 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 3dnx s LEU 98 CO 0.55 -0.17 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.46 3dnx s LEU 99 N 1.29 2.53 -0.22 -0.68 1.02 0.21 -0.54 118.68 122.30 3dnx s LEU 99 Ca -0.09 -0.39 -0.09 0.00 0.02 0.00 0.00 54.13 53.57 3dnx s LEU 99 Cb -0.10 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 3dnx s LEU 99 CO -0.10 0.28 0.11 -0.63 0.02 0.00 0.00 176.35 176.04 3dnx s ILE 100 N -0.83 5.06 0.10 -0.59 -1.09 -0.51 -2.09 121.20 121.24 3dnx s ILE 100 Ca 0.13 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 3dnx s ILE 100 Cb -0.10 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3dnx s ILE 100 CO 0.03 0.39 -0.02 0.00 -1.23 0.00 0.00 174.94 174.11 3dnx s ALA 101 N 0.82 0.89 0.00 9.38 0.00 0.22 -1.09 121.76 131.99 3dnx s ALA 101 Ca 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3dnx s ALA 101 Cb -0.13 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3dnx s ALA 101 CO 0.02 -0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.05 3dnx n ASP 102 N -0.05 0.00 0.09 0.00 5.68 -0.73 -3.94 116.55 117.61 3dnx n ASP 102 Ca -0.10 -0.60 0.10 0.00 -0.50 0.00 0.00 54.79 53.69 3dnx n ASP 102 Cb 0.62 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.03 3dnx n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dnx n ALA 103 N -3.00 1.62 0.09 2.12 0.00 -1.23 -2.84 120.51 117.27 3dnx n ALA 103 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.52 3dnx n ALA 103 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 3dnx n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dnx n TYR 104 N -1.99 0.00 -3.88 0.00 4.01 -1.26 -3.62 117.16 110.41 3dnx n TYR 104 Ca 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3dnx n TYR 104 Cb 0.20 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3dnx n TYR 104 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dnx s ASP 105 N -2.53 -0.01 0.16 7.72 -1.08 -1.24 -4.86 116.67 114.83 3dnx s ASP 105 Ca -0.01 -0.40 -0.20 0.00 -0.52 0.00 0.00 52.55 51.42 3dnx s ASP 105 Cb 0.05 0.31 0.05 0.00 -1.46 0.00 0.00 42.92 41.87 3dnx s ASP 105 CO 0.30 -0.62 0.52 0.00 0.52 0.00 0.00 175.17 175.90 3dnx s ALA 106 N -2.21 -1.25 0.01 3.66 0.00 -1.24 -1.77 121.76 118.97 3dnx s ALA 106 Ca 0.23 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3dnx s ALA 106 Cb -0.01 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3dnx s ALA 106 CO 0.02 -0.74 -0.01 -1.83 0.00 0.00 0.00 175.76 173.19 3dnx s GLU 107 N -3.79 0.11 -0.21 0.00 -1.05 -0.25 -4.85 118.70 108.66 3dnx s GLU 107 Ca 0.03 -0.22 -0.25 0.00 -0.15 0.00 0.00 54.97 54.38 3dnx s GLU 107 Cb -0.00 0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.72 3dnx s GLU 107 CO -0.10 -0.02 0.84 0.42 0.95 0.00 0.00 175.26 177.35 3dnx s ILE 108 N -0.53 4.85 -0.21 1.83 1.01 -1.26 -1.43 121.20 125.46 3dnx s ILE 108 Ca -0.06 1.62 0.19 0.00 0.00 0.00 0.00 60.65 62.40 3dnx s ILE 108 Cb -0.04 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 38.03 3dnx s ILE 108 CO -0.00 -0.03 0.49 1.33 0.00 0.00 0.00 174.94 176.73 3dnx n VAL 109 N 5.00 0.00 -2.91 2.92 0.24 0.30 -4.97 118.33 118.91 3dnx n VAL 109 Ca 0.05 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3dnx n VAL 109 Cb 0.48 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3dnx n VAL 109 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3dnx n ARG 110 N -1.99 0.00 -4.57 7.34 0.63 -1.02 -4.97 116.66 112.08 3dnx n ARG 110 Ca -0.02 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.63 3dnx n ARG 110 Cb 0.44 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.22 3dnx n ARG 110 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dnx s ALA 112 N -1.67 2.18 0.58 5.13 0.00 -1.26 -0.18 121.76 126.54 3dnx s ALA 112 Ca 0.00 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 3dnx s ALA 112 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3dnx s ALA 112 CO 0.00 0.49 1.19 -1.25 0.00 0.00 0.00 175.76 176.19 3dnx s PRO 113 N -1.66 3.09 -0.21 0.00 0.04 -1.26 -4.91 135.00 130.08 3dnx s PRO 113 Ca 0.11 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.71 3dnx s PRO 113 Cb -0.10 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3dnx s PRO 113 CO 0.04 -1.10 0.67 -2.00 0.04 0.00 0.00 177.00 174.65 3dnx s GLU 114 N -3.31 4.20 -0.57 4.56 2.12 -1.26 -4.54 118.70 119.90 3dnx s GLU 114 Ca 0.76 0.68 0.06 0.00 0.36 0.00 0.00 54.97 56.84 3dnx s GLU 114 Cb -0.29 -3.59 0.23 0.00 0.26 0.00 0.00 34.13 30.74 3dnx s GLU 114 CO 0.31 -0.30 0.63 0.00 -0.54 0.00 0.00 175.26 175.36 3dnx n GLN 115 N 5.25 1.81 -1.48 4.30 -0.00 0.25 -5.04 117.38 122.47 3dnx n GLN 115 Ca 0.00 -4.18 -0.44 0.00 -0.00 0.00 0.00 57.00 52.38 3dnx n GLN 115 Cb 0.49 -1.96 -0.01 0.00 -0.00 0.00 0.00 30.24 28.77 3dnx n GLN 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3dnx n LYS 116 N 1.28 0.69 -3.02 2.61 5.02 -1.26 -4.39 118.16 119.10 3dnx n LYS 116 Ca 0.26 0.25 -0.33 0.00 -2.02 0.00 0.00 58.31 56.47 3dnx n LYS 116 Cb 0.44 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3dnx n LYS 116 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dnx s LEU 117 N 1.62 4.02 0.48 -0.35 2.96 -1.26 -4.96 118.68 121.19 3dnx s LEU 117 Ca 0.62 1.43 -0.22 0.00 -0.22 0.00 0.00 54.13 55.74 3dnx s LEU 117 Cb -0.69 -4.24 -0.07 0.00 0.50 0.00 0.00 46.19 41.69 3dnx s LEU 117 CO 0.58 -0.26 1.18 0.00 -1.32 0.00 0.00 176.35 176.53 3dnx s ALA 118 N -2.05 2.91 0.31 5.97 0.00 -1.26 -4.84 121.76 122.80 3dnx s ALA 118 Ca 0.57 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3dnx s ALA 118 Cb -0.10 -3.40 0.81 0.00 0.00 0.00 0.00 23.12 20.44 3dnx s ALA 118 CO 0.16 -0.75 1.73 -1.35 0.00 0.00 0.00 175.76 175.55 3dnx h PRO 119 N 1.84 0.54 -0.29 0.00 0.11 -1.99 -1.09 132.00 131.12 3dnx h PRO 119 Ca -0.50 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 3dnx h PRO 119 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3dnx h PRO 119 CO 0.59 0.36 -0.44 0.00 -0.21 0.00 0.00 178.00 178.30 3dnx h ALA 120 N 1.71 0.66 -0.14 -0.75 0.00 -2.00 -2.34 119.26 116.39 3dnx h ALA 120 Ca 0.61 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3dnx h ALA 120 Cb 1.12 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dnx h ALA 120 CO -0.47 0.67 -0.64 -0.09 0.00 0.00 0.00 179.25 178.71 3dnx h ARG 121 N 0.61 0.69 -0.77 0.00 9.65 -1.79 -2.66 114.38 120.10 3dnx h ARG 121 Ca 0.04 -0.55 0.13 0.00 -1.10 0.00 0.00 59.98 58.50 3dnx h ARG 121 Cb 1.00 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.60 3dnx h ARG 121 CO 0.10 1.17 0.35 -0.09 2.80 0.00 0.00 179.97 184.30 3dnx h ARG 122 N 0.38 0.52 -0.11 0.20 2.43 -1.21 -1.85 114.38 114.74 3dnx h ARG 122 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dnx h ARG 122 Cb 1.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3dnx h ARG 122 CO 0.13 0.34 0.07 0.87 -1.51 0.00 0.00 179.97 179.88 3dnx h LYS 123 N 0.53 0.14 -0.52 0.20 1.57 -1.30 -1.37 116.57 115.82 3dnx h LYS 123 Ca 0.41 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 3dnx h LYS 123 Cb 0.58 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3dnx h LYS 123 CO -0.36 0.11 0.32 0.28 -0.57 0.00 0.00 179.45 179.24 3dnx h VAL 124 N 0.13 1.08 -0.28 0.50 2.07 -1.17 -1.97 116.25 116.61 3dnx h VAL 124 Ca 0.04 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 3dnx h VAL 124 Cb 0.00 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3dnx h VAL 124 CO -0.01 0.12 -0.48 -0.07 0.02 0.00 0.00 177.57 177.15 3dnx h LEU 125 N 0.65 0.83 -1.09 2.57 3.38 -1.22 -1.84 115.31 118.58 3dnx h LEU 125 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3dnx h LEU 125 Cb -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3dnx h LEU 125 CO -0.07 1.17 0.25 0.40 0.09 0.00 0.00 178.44 180.27 3dnx h ILE 126 N 0.60 1.22 -0.66 1.22 2.04 -1.12 -0.62 117.51 120.19 3dnx h ILE 126 Ca 0.03 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3dnx h ILE 126 Cb 1.05 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3dnx h ILE 126 CO 0.10 0.27 0.18 -0.61 0.00 0.00 0.00 178.15 178.09 3dnx h GLN 127 N 0.88 1.05 -0.34 2.37 5.75 -1.15 -0.13 115.11 123.53 3dnx h GLN 127 Ca 0.21 -0.24 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 3dnx h GLN 127 Cb 0.17 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3dnx h GLN 127 CO -0.02 0.93 -0.21 0.87 -2.65 0.00 0.00 178.83 177.75 3dnx h LYS 128 N 0.97 0.75 0.11 1.69 1.57 -1.05 -1.31 116.57 119.30 3dnx h LYS 128 Ca 0.21 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3dnx h LYS 128 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3dnx h LYS 128 CO -0.00 0.96 -0.05 0.35 -0.57 0.00 0.00 179.45 180.14 3dnx h PHE 129 N 0.53 -0.13 -0.49 -1.35 3.57 -0.93 -0.44 116.94 117.70 3dnx h PHE 129 Ca 0.07 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3dnx h PHE 129 Cb 0.76 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.46 3dnx h PHE 129 CO 0.06 -0.06 -0.11 0.00 -2.23 0.00 0.00 178.31 175.97 3dnx h ALA 130 N 0.72 0.33 -0.62 2.41 0.00 -0.96 0.73 119.26 121.87 3dnx h ALA 130 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dnx h ALA 130 Cb 0.13 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dnx h ALA 130 CO 0.02 -0.44 0.29 1.15 0.00 0.00 0.00 179.25 180.28 3dnx h THR 131 N 0.01 1.22 0.21 0.00 2.02 -1.07 -0.68 112.91 114.62 3dnx h THR 131 Ca 0.23 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3dnx h THR 131 Cb 0.36 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3dnx h THR 131 CO -0.49 0.25 -0.10 -0.74 0.37 0.00 0.00 175.52 174.81 3dnx h HIS 132 N 0.85 -0.27 -0.27 3.16 6.17 -0.43 -1.89 115.15 122.47 3dnx h HIS 132 Ca 0.21 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.32 3dnx h HIS 132 Cb 0.13 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 3dnx h HIS 132 CO 0.00 -0.05 0.08 0.00 0.71 0.00 0.00 177.93 178.67 3dnx h ALA 133 N 0.31 0.30 -0.21 5.26 0.00 -0.74 -2.18 119.26 121.99 3dnx h ALA 133 Ca -0.03 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3dnx h ALA 133 Cb 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dnx h ALA 133 CO 0.05 -0.33 -0.45 0.00 0.00 0.00 0.00 179.25 178.51 3dnx h ALA 134 N 1.18 0.83 0.27 0.00 0.00 -1.08 -1.36 119.26 119.11 3dnx h ALA 134 Ca 0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3dnx h ALA 134 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dnx h ALA 134 CO -0.14 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 3dnx h ARG 135 N 0.42 -0.35 -0.90 0.00 3.08 -1.22 -1.17 114.38 114.24 3dnx h ARG 135 Ca 0.03 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3dnx h ARG 135 Cb 0.95 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 3dnx h ARG 135 CO 0.08 -0.19 0.59 0.00 -1.07 0.00 0.00 179.97 179.39 3dnx h ARG 136 N -0.43 1.19 -0.03 0.04 2.47 -1.32 -1.57 114.38 114.73 3dnx h ARG 136 Ca -0.04 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3dnx h ARG 136 Cb 0.33 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3dnx h ARG 136 CO 0.06 0.79 -0.01 1.25 0.56 0.00 0.00 179.97 182.62 3dnx h LEU 137 N 1.22 -0.03 -1.04 3.04 5.85 -1.15 -2.35 115.31 120.85 3dnx h LEU 137 Ca 0.33 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.07 3dnx h LEU 137 Cb -0.14 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3dnx h LEU 137 CO -0.07 -0.01 0.65 -0.61 -0.34 0.00 0.00 178.44 178.06 3dnx h GLN 138 N -0.00 1.30 -0.18 1.25 -0.00 -0.87 -1.21 115.11 115.40 3dnx h GLN 138 Ca 0.02 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.65 58.51 3dnx h GLN 138 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 27.48 27.20 3dnx h GLN 138 CO -0.03 0.86 -0.21 0.00 0.00 0.00 0.00 178.83 179.44 3dnx h ALA 139 N 1.39 1.31 -0.11 3.38 0.00 -1.18 -0.06 119.26 123.98 3dnx h ALA 139 Ca 0.36 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3dnx h ALA 139 Cb -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dnx h ALA 139 CO -0.08 0.47 -0.86 -0.07 0.00 0.00 0.00 179.25 178.71 3dnx h LEU 140 N 0.29 0.93 -0.79 0.00 3.38 -0.86 -2.71 115.31 115.55 3dnx h LEU 140 Ca 0.05 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3dnx h LEU 140 Cb 0.55 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dnx h LEU 140 CO 0.04 1.45 -0.30 0.03 0.09 0.00 0.00 178.44 179.75 3dnx h ARG 141 N 0.50 0.00 -1.50 1.13 3.08 -1.06 -3.38 114.38 113.15 3dnx h ARG 141 Ca -0.08 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.55 3dnx h ARG 141 Cb 1.50 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.26 3dnx h ARG 141 CO 0.17 0.30 -0.83 -3.47 -1.07 0.00 0.00 179.97 175.08 3dnx n ASP 142 N -3.36 -1.36 -0.30 7.04 2.03 -0.05 -5.03 116.55 115.52 3dnx n ASP 142 Ca 0.01 -2.77 0.15 0.00 0.52 0.00 0.00 54.79 52.70 3dnx n ASP 142 Cb 0.51 0.36 0.41 0.00 -0.72 0.00 0.00 41.12 41.68 3dnx n ASP 142 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dnx h PRO 143 N 4.67 0.60 0.00 -0.67 0.11 -1.67 -1.15 132.00 133.87 3dnx h PRO 143 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3dnx h PRO 143 Cb 0.96 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dnx h PRO 143 CO 0.32 0.39 -0.38 0.39 -0.21 0.00 0.00 178.00 178.51 3dnx n GLU 144 N -4.63 0.12 -0.53 1.05 4.71 -1.26 -4.57 120.64 115.53 3dnx n GLU 144 Ca 0.21 0.05 -0.03 0.00 -0.01 0.00 0.00 57.16 57.38 3dnx n GLU 144 Cb 0.62 -1.59 0.01 0.00 -1.01 0.00 0.00 31.44 29.46 3dnx n GLU 144 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dnx n GLY 145 N 1.43 2.75 3.56 0.62 0.00 -0.44 -4.77 105.19 108.34 3dnx n GLY 145 Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3dnx n GLY 145 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dnx s HIS 146 N -0.34 -0.06 0.41 1.61 -3.43 -1.26 -5.01 115.29 107.21 3dnx s HIS 146 Ca 0.06 -0.29 0.08 0.00 -0.80 0.00 0.00 55.06 54.10 3dnx s HIS 146 Cb 0.05 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.58 3dnx s HIS 146 CO 0.00 -0.95 0.46 0.20 -2.00 0.00 0.00 174.74 172.44 3dnx s GLY 147 N -2.90 2.03 0.16 -1.38 0.00 -1.26 -5.01 107.32 98.96 3dnx s GLY 147 Ca 0.11 -1.78 0.23 0.00 0.00 0.00 0.00 44.72 43.28 3dnx s GLY 147 CO -0.01 -1.60 1.70 0.29 0.00 0.00 0.00 173.10 173.48 3dnx n ILE 148 N -1.67 0.71 -3.86 0.90 -5.35 -1.26 -4.45 119.36 104.39 3dnx n ILE 148 Ca 0.05 0.09 -0.35 0.00 -0.27 0.00 0.00 62.75 62.28 3dnx n ILE 148 Cb 0.60 -0.92 -0.13 0.00 -1.74 0.00 0.00 39.64 37.46 3dnx n ILE 148 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3dnx s PHE 149 N -3.16 3.58 0.00 4.28 5.36 -1.26 -5.36 117.98 121.42 3dnx s PHE 149 Ca 0.07 -2.49 0.00 0.00 -0.96 0.00 0.00 56.93 53.56 3dnx s PHE 149 Cb 0.11 -2.97 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 3dnx s PHE 149 CO 0.43 -0.94 0.30 0.39 -1.46 0.00 0.00 175.22 173.93