#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdx n GLY 2 N 0.00 3.18 2.69 3.03 0.00 -1.26 -4.51 105.19 108.32 2gdx n GLY 2 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 2gdx n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gdx n VAL 3 N -0.47 0.45 -3.90 1.61 0.24 -1.26 -5.01 118.33 109.99 2gdx n VAL 3 Ca 0.12 -2.13 -0.35 0.00 -2.04 0.00 0.00 64.34 59.94 2gdx n VAL 3 Cb 0.85 0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 34.06 2gdx n VAL 3 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2gdx s THR 4 N -1.30 5.45 -0.58 3.34 -4.23 -1.26 -4.94 115.64 112.11 2gdx s THR 4 Ca 0.23 -0.01 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 2gdx s THR 4 Cb 0.42 -3.48 0.08 0.00 1.34 0.00 0.00 72.50 70.87 2gdx s THR 4 CO -0.04 0.45 0.76 -1.61 -0.54 0.00 0.00 174.62 173.63 2gdx s GLU 5 N -1.56 3.09 -0.03 3.99 2.02 -1.26 -4.06 118.70 120.89 2gdx s GLU 5 Ca 0.22 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 2gdx s GLU 5 Cb -0.12 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.87 2gdx s GLU 5 CO 0.13 -1.53 0.97 0.00 0.02 0.00 0.00 175.26 174.85 2gdx s ALA 6 N 3.05 3.23 -0.44 5.21 0.00 0.19 -4.92 121.76 128.09 2gdx s ALA 6 Ca 0.16 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.82 2gdx s ALA 6 Cb -0.21 -3.35 0.32 0.00 0.00 0.00 0.00 23.12 19.89 2gdx s ALA 6 CO 0.09 -0.33 1.53 1.96 0.00 0.00 0.00 175.76 179.01 2gdx h GLN 7 N 6.88 0.00 -2.45 0.00 4.20 -1.96 -3.34 115.11 118.45 2gdx h GLN 7 Ca -0.38 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.64 2gdx h GLN 7 Cb 1.20 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.83 2gdx h GLN 7 CO 0.78 0.00 1.86 0.98 -0.67 0.00 0.00 178.83 181.77 2gdx n TYR 8 N -2.94 2.38 -2.92 2.96 9.36 -1.26 -4.80 117.16 119.94 2gdx n TYR 8 Ca 0.03 -2.60 -0.42 0.00 3.32 0.00 0.00 57.90 58.23 2gdx n TYR 8 Cb 0.52 -1.68 0.01 0.00 -0.63 0.00 0.00 39.34 37.56 2gdx n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2gdx n VAL 9 N 1.39 5.53 -3.53 2.97 3.14 -1.25 -4.02 118.33 122.55 2gdx n VAL 9 Ca 0.58 -5.96 -0.21 0.00 -2.96 0.00 0.00 64.34 55.80 2gdx n VAL 9 Cb 0.32 -1.95 -0.14 0.00 -1.06 0.00 0.00 33.84 31.00 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gdx s ALA 10 N -3.17 -0.05 0.86 1.55 0.00 -1.26 -5.07 121.76 114.61 2gdx s ALA 10 Ca 0.33 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 2gdx s ALA 10 Cb 0.08 -1.21 0.11 0.00 0.00 0.00 0.00 23.12 22.10 2gdx s ALA 10 CO 0.05 -1.17 1.19 -2.14 0.00 0.00 0.00 175.76 173.69 2gdx s PRO 11 N 2.27 1.58 -0.22 0.00 0.02 -1.26 -4.77 135.00 132.61 2gdx s PRO 11 Ca 0.05 0.09 -0.08 0.00 0.02 0.00 0.00 61.00 61.08 2gdx s PRO 11 Cb -0.16 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 2gdx s PRO 11 CO -0.11 -1.86 -0.26 0.25 -0.33 0.00 0.00 177.00 174.69 2gdx n THR 12 N -3.49 1.23 -4.14 0.99 -2.24 -1.26 -5.01 114.28 100.36 2gdx n THR 12 Ca 0.09 -0.35 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 2gdx n THR 12 Cb 0.60 -1.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.10 2gdx n THR 12 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gdx s ASN 13 N -6.77 5.17 0.51 3.42 3.84 -1.26 -5.01 114.94 114.84 2gdx s ASN 13 Ca -0.31 -0.24 0.18 0.00 0.21 0.00 0.00 52.86 52.71 2gdx s ASN 13 Cb 0.11 -1.25 1.30 0.00 -0.55 0.00 0.00 41.25 40.86 2gdx s ASN 13 CO 0.42 0.09 2.13 0.00 -2.79 0.00 0.00 177.10 176.95 2gdx h ALA 14 N 2.67 1.84 -0.52 1.71 0.00 -1.99 0.01 119.26 122.98 2gdx h ALA 14 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2gdx h ALA 14 Cb 1.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2gdx h ALA 14 CO 0.61 0.06 0.23 0.28 0.00 0.00 0.00 179.25 180.42 2gdx h VAL 15 N 0.00 1.19 -0.12 0.00 2.07 -1.99 0.24 116.25 117.64 2gdx h VAL 15 Ca -0.00 -0.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.77 2gdx h VAL 15 Cb 0.08 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2gdx h VAL 15 CO 0.01 0.22 -0.72 -0.33 0.02 0.00 0.00 177.57 176.77 2gdx h GLU 16 N 0.74 0.55 -0.21 1.57 5.08 -1.38 -1.14 114.58 119.79 2gdx h GLU 16 Ca 0.18 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 57.97 2gdx h GLU 16 Cb 0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2gdx h GLU 16 CO -0.02 1.06 -0.43 0.77 -1.00 0.00 0.00 179.01 179.39 2gdx h SER 17 N 0.38 0.53 -0.27 1.42 0.02 -1.12 -0.86 113.55 113.65 2gdx h SER 17 Ca -0.03 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2gdx h SER 17 Cb 1.31 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2gdx h SER 17 CO 0.13 0.89 -0.05 0.11 -1.14 0.00 0.00 176.83 176.78 2gdx h LYS 18 N 0.41 0.52 -0.52 3.45 6.56 -0.79 -0.71 116.57 125.48 2gdx h LYS 18 Ca 0.03 -0.19 -0.07 0.00 -1.06 0.00 0.00 60.65 59.36 2gdx h LYS 18 Cb 0.92 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.52 2gdx h LYS 18 CO 0.08 0.72 0.05 -0.07 -2.06 0.00 0.00 179.45 178.17 2gdx h LEU 19 N 0.28 0.79 -1.56 2.94 3.38 -1.17 -1.97 115.31 118.00 2gdx h LEU 19 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2gdx h LEU 19 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2gdx h LEU 19 CO 0.02 0.83 -0.15 0.00 0.09 0.00 0.00 178.44 179.23 2gdx h ALA 20 N 1.27 1.64 -0.25 1.53 0.00 -0.92 0.45 119.26 122.97 2gdx h ALA 20 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2gdx h ALA 20 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gdx h ALA 20 CO 0.01 0.27 0.13 1.49 0.00 0.00 0.00 179.25 181.15 2gdx h GLU 21 N 0.09 0.35 0.27 0.00 4.81 -0.35 0.20 114.58 119.95 2gdx h GLU 21 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2gdx h GLU 21 Cb 0.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2gdx h GLU 21 CO 0.02 0.33 -0.13 0.82 -0.73 0.00 0.00 179.01 179.33 2gdx h ILE 22 N 0.28 0.68 -0.04 2.32 2.04 -1.19 -2.85 117.51 118.75 2gdx h ILE 22 Ca 0.09 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2gdx h ILE 22 Cb 0.09 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2gdx h ILE 22 CO -0.01 0.15 -0.02 -0.50 0.00 0.00 0.00 178.15 177.76 2gdx h TRP 23 N -0.85 0.10 0.01 1.37 4.06 -0.97 -2.71 115.95 116.96 2gdx h TRP 23 Ca -0.04 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 2gdx h TRP 23 Cb 0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2gdx h TRP 23 CO 0.05 0.49 -0.00 1.49 -3.56 0.00 0.00 178.44 176.90 2gdx h GLU 24 N -0.31 -0.01 0.00 0.49 4.22 -1.11 0.57 114.58 118.43 2gdx h GLU 24 Ca 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 2gdx h GLU 24 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2gdx h GLU 24 CO 0.01 0.62 -0.24 0.00 -2.18 0.00 0.00 179.01 177.21 2gdx h ARG 25 N -0.66 0.00 0.00 1.92 2.47 -1.53 0.70 114.38 117.29 2gdx h ARG 25 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2gdx h ARG 25 Cb 0.64 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 2gdx h ARG 25 CO 0.00 0.24 -0.93 0.28 0.56 0.00 0.00 179.97 180.13 2gdx n VAL 26 N -3.87 1.47 -0.11 2.04 0.31 -1.02 -4.66 118.33 112.49 2gdx n VAL 26 Ca -0.02 0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 2gdx n VAL 26 Cb 0.33 -2.23 -0.10 0.00 -0.91 0.00 0.00 33.84 30.93 2gdx n VAL 26 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdx n LEU 27 N -4.52 2.42 0.46 7.52 4.32 0.03 -4.71 117.00 122.52 2gdx n LEU 27 Ca -0.19 0.06 -0.20 0.00 -0.02 0.00 0.00 56.01 55.65 2gdx n LEU 27 Cb 0.47 -0.75 -0.10 0.00 -1.62 0.00 0.00 43.42 41.42 2gdx n LEU 27 CO 0.14 0.71 0.54 1.23 -1.22 0.00 0.00 177.39 178.79 2gdx h GLY 28 N 0.60 -1.36 0.00 -0.72 0.00 0.04 -3.45 103.07 98.18 2gdx h GLY 28 Ca -0.54 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gdx h GLY 28 CO -0.20 -0.47 0.00 -0.62 0.00 0.00 0.00 176.54 175.25 2gdx n VAL 29 N -5.64 0.00 -0.00 4.60 0.31 0.23 -4.24 118.33 113.59 2gdx n VAL 29 Ca -0.15 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 2gdx n VAL 29 Cb 0.51 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.35 2gdx n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2gdx h SER 30 N 0.00 0.85 0.00 4.52 0.02 -1.84 -3.49 113.55 113.61 2gdx h SER 30 Ca 0.00 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2gdx h SER 30 Cb 0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2gdx h SER 30 CO 0.00 1.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 2gdx n GLY 31 N 0.84 3.87 3.53 -3.77 0.00 -1.26 -4.63 105.19 103.78 2gdx n GLY 31 Ca -0.09 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 2gdx n GLY 31 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gdx s ILE 32 N 0.00 0.00 0.00 -0.61 1.10 -1.26 -0.64 121.20 119.79 2gdx s ILE 32 Ca 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 60.65 59.99 2gdx s ILE 32 Cb 0.00 -1.19 0.00 0.00 0.15 0.00 0.00 42.46 41.42 2gdx s ILE 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 2gdx n GLY 33 N -0.33 -1.59 2.58 1.50 0.00 -1.26 -4.88 105.19 101.21 2gdx n GLY 33 Ca -0.11 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.28 2gdx n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdx n ILE 34 N 0.00 3.91 -3.81 -0.61 2.08 -1.26 -4.80 119.36 114.88 2gdx n ILE 34 Ca 0.00 -3.02 -0.05 0.00 0.56 0.00 0.00 62.75 60.24 2gdx n ILE 34 Cb 0.00 -2.57 -0.01 0.00 -0.75 0.00 0.00 39.64 36.31 2gdx n ILE 34 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2gdx s LEU 35 N 1.11 -0.17 -0.27 1.39 2.34 -1.26 -4.99 118.68 116.83 2gdx s LEU 35 Ca 0.55 -0.57 -0.29 0.00 0.06 0.00 0.00 54.13 53.88 2gdx s LEU 35 Cb 0.15 2.41 -0.02 0.00 -0.56 0.00 0.00 46.19 48.17 2gdx s LEU 35 CO -0.07 -1.13 1.66 -0.62 -1.06 0.00 0.00 176.35 175.12 2gdx s ASP 36 N -2.99 6.22 0.26 1.48 2.15 -1.26 -4.79 116.67 117.74 2gdx s ASP 36 Ca 0.13 1.45 -0.06 0.00 0.43 0.00 0.00 52.55 54.50 2gdx s ASP 36 Cb -0.03 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2gdx s ASP 36 CO 0.05 -1.42 0.37 0.54 -0.17 0.00 0.00 175.17 174.54 2gdx s ASN 37 N 4.81 0.28 0.69 -0.34 2.20 -1.26 -5.10 114.94 116.22 2gdx s ASN 37 Ca 0.73 -1.23 -0.16 0.00 -0.94 0.00 0.00 52.86 51.27 2gdx s ASN 37 Cb -0.23 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.58 2gdx s ASN 37 CO 0.31 -1.08 1.20 0.72 -2.94 0.00 0.00 177.10 175.31 2gdx s PHE 38 N -3.81 2.16 0.00 1.54 -0.71 -1.26 -3.72 117.98 112.18 2gdx s PHE 38 Ca 0.30 1.57 0.00 0.00 -1.04 0.00 0.00 56.93 57.76 2gdx s PHE 38 Cb 0.02 -3.46 0.00 0.00 -1.21 0.00 0.00 43.02 38.37 2gdx s PHE 38 CO 0.13 -2.48 0.00 1.97 -1.34 0.00 0.00 175.22 173.50 2gdx n PHE 39 N -2.43 0.00 -0.07 3.49 1.16 -1.20 -4.56 117.46 113.85 2gdx n PHE 39 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.68 2gdx n PHE 39 Cb 0.50 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.56 2gdx n PHE 39 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 2gdx h GLN 40 N 0.00 0.71 -0.65 3.97 4.20 -1.86 -2.49 115.11 118.99 2gdx h GLN 40 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2gdx h GLN 40 Cb 0.00 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2gdx h GLN 40 CO 0.00 0.75 0.00 0.44 -0.67 0.00 0.00 178.83 179.35 2gdx n ILE 41 N -4.21 1.95 0.00 2.54 -5.35 -1.25 -3.67 119.36 109.37 2gdx n ILE 41 Ca 0.02 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 2gdx n ILE 41 Cb 0.31 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2gdx n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gdx n GLY 42 N 1.03 4.22 0.18 3.28 0.00 -0.94 -5.04 105.19 107.92 2gdx n GLY 42 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2gdx n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdx n GLY 43 N -0.90 0.68 3.73 -0.02 0.00 -1.25 -3.21 105.19 104.21 2gdx n GLY 43 Ca 0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2gdx n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gdx s HIS 44 N -1.97 2.08 1.03 1.61 -3.43 -1.26 -4.60 115.29 108.74 2gdx s HIS 44 Ca 0.00 1.51 -0.17 0.00 -0.80 0.00 0.00 55.06 55.59 2gdx s HIS 44 Cb 0.00 -3.65 0.25 0.00 -1.43 0.00 0.00 32.58 27.74 2gdx s HIS 44 CO 0.00 -2.86 1.16 -1.13 -2.00 0.00 0.00 174.74 169.91 2gdx n SER 45 N -2.03 -0.83 -2.07 7.38 3.41 -1.26 -4.98 113.62 113.24 2gdx n SER 45 Ca 0.15 -1.31 -0.25 0.00 -0.26 0.00 0.00 58.87 57.20 2gdx n SER 45 Cb 0.48 -0.95 0.12 0.00 -0.26 0.00 0.00 64.21 63.61 2gdx n SER 45 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gdx n LEU 46 N 0.00 6.49 -4.45 1.04 4.32 -1.26 -4.73 117.00 118.41 2gdx n LEU 46 Ca 0.15 -4.05 -0.22 0.00 -0.02 0.00 0.00 56.01 51.88 2gdx n LEU 46 Cb 0.55 -0.80 -0.10 0.00 -1.62 0.00 0.00 43.42 41.44 2gdx n LEU 46 CO 0.39 1.38 -0.26 -1.59 -1.22 0.00 0.00 177.39 176.09 2gdx s LYS 47 N -3.54 1.67 0.39 3.23 -2.85 -1.26 -5.04 119.74 112.33 2gdx s LYS 47 Ca 0.57 -1.94 0.09 0.00 -1.00 0.00 0.00 55.97 53.69 2gdx s LYS 47 Cb 0.47 -0.76 0.85 0.00 -2.06 0.00 0.00 37.83 36.34 2gdx s LYS 47 CO 0.03 -0.25 1.97 0.00 0.10 0.00 0.00 175.35 177.21 2gdx h ALA 48 N 2.09 1.82 -0.92 0.59 0.00 -1.99 -0.83 119.26 120.01 2gdx h ALA 48 Ca -0.40 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.64 2gdx h ALA 48 Cb 1.25 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2gdx h ALA 48 CO 0.67 0.06 0.59 1.98 0.00 0.00 0.00 179.25 182.55 2gdx h MET 49 N 0.62 0.73 0.04 0.00 -1.53 -1.96 0.80 114.93 113.63 2gdx h MET 49 Ca 0.29 -0.04 -0.26 0.00 -3.44 0.00 0.00 59.70 56.25 2gdx h MET 49 Cb 0.35 -0.16 0.02 0.00 -0.55 0.00 0.00 31.60 31.26 2gdx h MET 49 CO -0.09 0.48 -1.05 0.00 0.14 0.00 0.00 176.91 176.39 2gdx h ALA 50 N 1.59 0.07 -0.69 0.39 0.00 -1.44 -2.92 119.26 116.25 2gdx h ALA 50 Ca 0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2gdx h ALA 50 Cb 0.70 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2gdx h ALA 50 CO -0.23 0.63 0.29 0.28 0.00 0.00 0.00 179.25 180.22 2gdx h VAL 51 N 0.27 1.24 -0.84 0.00 2.07 -1.12 -0.41 116.25 117.47 2gdx h VAL 51 Ca -0.14 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2gdx h VAL 51 Cb 1.72 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2gdx h VAL 51 CO 0.20 0.30 0.50 0.00 0.02 0.00 0.00 177.57 178.59 2gdx h ALA 52 N 1.13 1.07 -0.23 1.67 0.00 -0.92 -0.79 119.26 121.20 2gdx h ALA 52 Ca 0.23 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2gdx h ALA 52 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gdx h ALA 52 CO -0.02 0.54 -0.48 0.00 0.00 0.00 0.00 179.25 179.29 2gdx h ALA 53 N 1.27 0.74 0.00 0.00 0.00 -1.27 -1.32 119.26 118.68 2gdx h ALA 53 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gdx h ALA 53 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2gdx h ALA 53 CO -0.05 0.67 0.00 -0.56 0.00 0.00 0.00 179.25 179.31 2gdx h GLN 54 N 0.47 0.00 -0.02 0.00 3.07 -0.59 -3.24 115.11 114.81 2gdx h GLN 54 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2gdx h GLN 54 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 2gdx h GLN 54 CO 0.09 0.00 0.00 1.55 0.09 0.00 0.00 178.83 180.56 2gdx n VAL 55 N -2.83 0.07 0.09 1.86 3.14 -0.35 -0.58 118.33 119.74 2gdx n VAL 55 Ca 0.03 -0.54 -0.02 0.00 -2.96 0.00 0.00 64.34 60.86 2gdx n VAL 55 Cb 0.42 1.06 0.24 0.00 -1.06 0.00 0.00 33.84 34.51 2gdx n VAL 55 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 2gdx h HIS 56 N 0.97 0.30 0.00 1.45 2.76 -1.26 -3.39 115.15 115.97 2gdx h HIS 56 Ca 0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2gdx h HIS 56 Cb 0.24 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2gdx h HIS 56 CO 0.01 0.59 0.00 -2.13 -1.30 0.00 0.00 177.93 175.10 2gdx n ARG 57 N -4.07 0.00 -2.72 5.26 0.00 -1.26 -4.98 116.66 108.90 2gdx n ARG 57 Ca -0.01 0.02 -0.08 0.00 -0.00 0.00 0.00 57.85 57.78 2gdx n ARG 57 Cb 0.44 -0.24 0.10 0.00 0.00 0.00 0.00 32.46 32.77 2gdx n ARG 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2gdx n GLU 58 N -1.72 1.07 -3.24 -0.14 0.00 -1.26 -5.03 120.64 110.32 2gdx n GLU 58 Ca 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 57.16 55.20 2gdx n GLU 58 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 31.44 30.86 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2gdx n TYR 59 N -0.06 -2.82 0.55 4.31 4.01 -1.19 -4.92 117.16 117.03 2gdx n TYR 59 Ca 0.02 1.12 0.12 0.00 -0.16 0.00 0.00 57.90 58.99 2gdx n TYR 59 Cb 0.76 -3.56 0.09 0.00 -0.31 0.00 0.00 39.34 36.32 2gdx n TYR 59 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2gdx n GLN 60 N -1.55 0.30 0.00 -0.72 3.00 0.25 -4.98 117.38 113.68 2gdx n GLN 60 Ca -0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2gdx n GLN 60 Cb 0.56 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.16 2gdx n GLN 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2gdx n VAL 61 N -2.05 0.00 -0.56 5.09 0.31 -1.14 -1.77 118.33 118.21 2gdx n VAL 61 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.44 2gdx n VAL 61 Cb 0.44 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.73 2gdx n VAL 61 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gdx n GLU 62 N 0.00 3.74 -3.85 5.55 -0.58 -1.26 -4.55 120.64 119.69 2gdx n GLU 62 Ca 0.00 -2.81 -0.28 0.00 -0.42 0.00 0.00 57.16 53.65 2gdx n GLU 62 Cb 0.00 -1.91 -0.12 0.00 -0.57 0.00 0.00 31.44 28.85 2gdx n GLU 62 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2gdx n LEU 63 N 1.09 2.82 -1.48 -4.62 7.99 -0.73 -4.61 117.00 117.44 2gdx n LEU 63 Ca 0.25 -5.17 0.08 0.00 -0.01 0.00 0.00 56.01 51.16 2gdx n LEU 63 Cb 0.89 -0.66 0.32 0.00 -0.11 0.00 0.00 43.42 43.86 2gdx n LEU 63 CO 0.24 1.77 0.76 -0.81 -1.51 0.00 0.00 177.39 177.85 2gdx n PRO 64 N 1.98 3.60 -1.68 3.23 -0.04 -1.26 -4.73 135.00 136.09 2gdx n PRO 64 Ca 0.21 -2.52 -0.42 0.00 -0.04 0.00 0.00 63.50 60.72 2gdx n PRO 64 Cb 0.36 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 2gdx n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2gdx s LEU 65 N -1.82 4.21 0.00 1.53 2.96 -1.26 -1.78 118.68 122.52 2gdx s LEU 65 Ca 0.45 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 2gdx s LEU 65 Cb 0.30 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.47 2gdx s LEU 65 CO 0.20 -1.25 0.00 0.29 -1.32 0.00 0.00 176.35 174.27 2gdx n LYS 66 N 7.79 -0.43 -0.12 1.98 4.76 -1.25 -4.76 118.16 126.14 2gdx n LYS 66 Ca 0.22 0.11 -0.21 0.00 -2.87 0.00 0.00 58.31 55.55 2gdx n LYS 66 Cb 0.42 -3.83 -0.07 0.00 -1.84 0.00 0.00 35.03 29.70 2gdx n LYS 66 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2gdx n VAL 67 N -2.16 1.52 -3.58 -0.18 0.31 -0.73 -4.97 118.33 108.54 2gdx n VAL 67 Ca 0.00 -0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 64.10 2gdx n VAL 67 Cb 0.11 -2.08 -0.04 0.00 -0.91 0.00 0.00 33.84 30.92 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2gdx s LEU 68 N -7.70 -0.25 0.00 7.52 1.98 -0.88 -4.84 118.68 114.51 2gdx s LEU 68 Ca -0.34 0.16 0.00 0.00 -2.89 0.00 0.00 54.13 51.06 2gdx s LEU 68 Cb 0.10 1.63 0.00 0.00 0.66 0.00 0.00 46.19 48.59 2gdx s LEU 68 CO 0.46 -0.31 0.00 0.33 -1.89 0.00 0.00 176.35 174.94 2gdx n PHE 69 N 0.29 0.00 -1.47 5.38 -0.00 -1.26 -4.55 117.46 115.86 2gdx n PHE 69 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.99 2gdx n PHE 69 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.05 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gdx n ALA 70 N 0.00 5.28 -3.67 3.13 0.00 -1.24 -4.75 120.51 119.25 2gdx n ALA 70 Ca 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 53.44 49.79 2gdx n ALA 70 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 19.45 15.86 2gdx n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gdx s GLN 71 N 3.48 0.52 0.12 0.00 -1.52 -1.26 -3.93 119.66 117.07 2gdx s GLN 71 Ca 0.52 1.03 0.13 0.00 -1.95 0.00 0.00 55.36 55.09 2gdx s GLN 71 Cb 0.14 0.14 0.59 0.00 -0.22 0.00 0.00 33.01 33.67 2gdx s GLN 71 CO -0.03 -0.17 1.39 -2.30 -0.25 0.00 0.00 175.29 173.93 2gdx n PRO 72 N 4.49 0.06 -3.82 2.91 -0.02 -1.26 -4.25 135.00 133.11 2gdx n PRO 72 Ca -0.20 0.45 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 2gdx n PRO 72 Cb 0.56 -1.67 -0.17 0.00 -0.02 0.00 0.00 33.50 32.20 2gdx n PRO 72 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2gdx s THR 73 N -3.18 0.76 -0.46 3.45 -1.32 -1.26 -4.07 115.64 109.56 2gdx s THR 73 Ca 0.02 -0.40 0.25 0.00 -1.21 0.00 0.00 61.69 60.35 2gdx s THR 73 Cb 0.05 -1.01 0.32 0.00 -1.51 0.00 0.00 72.50 70.36 2gdx s THR 73 CO 0.18 0.08 1.72 0.40 -2.21 0.00 0.00 174.62 174.79 2gdx h ILE 74 N 6.39 0.00 -0.14 5.08 2.04 -1.97 -3.24 117.51 125.67 2gdx h ILE 74 Ca -0.21 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2gdx h ILE 74 Cb 1.12 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2gdx h ILE 74 CO 0.35 0.00 -0.06 0.50 0.00 0.00 0.00 178.15 178.94 2gdx h LYS 75 N 0.00 -0.04 -0.68 2.37 3.64 -1.95 0.04 116.57 119.94 2gdx h LYS 75 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2gdx h LYS 75 Cb 0.80 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2gdx h LYS 75 CO 0.00 -0.03 0.29 0.00 -2.27 0.00 0.00 179.45 177.44 2gdx h ALA 76 N 1.09 0.89 -0.30 5.00 0.00 -1.98 -2.89 119.26 121.07 2gdx h ALA 76 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2gdx h ALA 76 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gdx h ALA 76 CO -0.17 0.49 0.12 -0.07 0.00 0.00 0.00 179.25 179.62 2gdx h LEU 77 N 0.97 0.41 -1.68 0.00 3.38 -1.53 -2.00 115.31 114.85 2gdx h LEU 77 Ca 0.23 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2gdx h LEU 77 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2gdx h LEU 77 CO -0.02 0.46 -0.18 0.00 0.09 0.00 0.00 178.44 178.79 2gdx h ALA 78 N 0.97 1.61 -0.61 1.53 0.00 -0.88 -1.42 119.26 120.46 2gdx h ALA 78 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gdx h ALA 78 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2gdx h ALA 78 CO -0.01 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2gdx n GLN 79 N -4.19 2.66 0.00 0.00 10.64 -1.10 -4.30 117.38 121.09 2gdx n GLN 79 Ca -0.02 -2.50 0.00 0.00 -1.83 0.00 0.00 57.00 52.64 2gdx n GLN 79 Cb 0.25 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2gdx n GLN 79 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2gdx n TYR 80 N 1.50 0.00 -0.83 2.61 4.02 -0.57 -4.84 117.16 119.05 2gdx n TYR 80 Ca 0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 58.01 2gdx n TYR 80 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2gdx n VAL 81 N 0.00 2.58 0.00 -0.72 0.31 -1.00 -3.16 118.33 116.35 2gdx n VAL 81 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.00 2gdx n VAL 81 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2gdx n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx n ALA 82 N 1.29 2.06 -1.95 3.52 0.00 -1.23 -4.94 120.51 119.25 2gdx n ALA 82 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2gdx n ALA 82 Cb 0.61 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 2gdx n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gdx s THR 83 N -1.60 2.85 -1.17 0.00 -4.23 -1.19 -4.93 115.64 105.37 2gdx s THR 83 Ca 0.00 0.68 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 2gdx s THR 83 Cb 0.00 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.49 2gdx s THR 83 CO 0.00 0.09 1.56 -0.13 -0.54 0.00 0.00 174.62 175.59 2gdx s ARG 84 N 0.16 3.85 0.00 3.99 0.52 -1.26 -5.01 118.95 121.20 2gdx s ARG 84 Ca 0.61 -1.80 0.11 0.00 -0.52 0.00 0.00 55.73 54.13 2gdx s ARG 84 Cb -0.40 -5.36 0.09 0.00 0.52 0.00 0.00 34.95 29.79 2gdx s ARG 84 CO 0.38 -2.13 0.84 0.43 0.02 0.00 0.00 175.30 174.84