#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi n VAL 21 N 0.00 0.00 -2.23 3.15 0.24 -1.26 -5.07 118.33 113.16 1aoi n VAL 21 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1aoi n VAL 21 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1aoi n VAL 21 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1aoi s LEU 22 N -5.96 3.30 0.39 1.34 1.43 -1.26 -4.96 118.68 112.96 1aoi s LEU 22 Ca 0.00 -1.49 0.02 0.00 -1.03 0.00 0.00 54.13 51.63 1aoi s LEU 22 Cb 0.00 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1aoi s LEU 22 CO 0.00 -2.39 0.59 -0.13 0.23 0.00 0.00 176.35 174.65 1aoi s ARG 23 N 5.99 3.17 -0.00 1.70 0.52 -1.26 -5.12 118.95 123.95 1aoi s ARG 23 Ca 0.63 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 55.30 1aoi s ARG 23 Cb -0.02 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1aoi s ARG 23 CO 0.05 -0.08 -0.16 0.34 0.02 0.00 0.00 175.30 175.47 1aoi s ASP 24 N -4.16 3.95 0.15 0.23 -1.08 -1.26 -5.07 116.67 109.42 1aoi s ASP 24 Ca 0.45 -0.30 -0.14 0.00 -0.52 0.00 0.00 52.55 52.05 1aoi s ASP 24 Cb -0.10 -0.75 0.03 0.00 -1.46 0.00 0.00 42.92 40.64 1aoi s ASP 24 CO 0.36 0.30 1.67 0.78 0.52 0.00 0.00 175.17 178.80 1aoi h ASN 25 N 4.91 0.73 0.39 -0.34 2.35 -1.99 -2.66 115.58 118.96 1aoi h ASN 25 Ca -0.47 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.01 1aoi h ASN 25 Cb 1.15 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1aoi h ASN 25 CO 0.49 0.74 -0.27 -0.29 -1.65 0.00 0.00 177.43 176.46 1aoi h ILE 26 N 0.67 1.00 0.00 2.81 6.09 -1.97 0.19 117.51 126.30 1aoi h ILE 26 Ca 0.16 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 1aoi h ILE 26 Cb 0.28 1.55 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1aoi h ILE 26 CO -0.00 0.26 0.00 0.00 -3.07 0.00 0.00 178.15 175.34 1aoi n GLN 27 N -3.95 0.01 0.22 2.19 1.13 -1.02 -2.08 117.38 113.88 1aoi n GLN 27 Ca -0.02 0.17 0.11 0.00 -1.94 0.00 0.00 57.00 55.32 1aoi n GLN 27 Cb 0.34 -1.50 0.42 0.00 0.11 0.00 0.00 30.24 29.61 1aoi n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1aoi h GLY 28 N 3.25 0.00 -7.27 1.08 0.00 -0.37 -3.36 103.07 96.40 1aoi h GLY 28 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1aoi h GLY 28 CO 0.00 0.00 1.08 -0.42 0.00 0.00 0.00 176.54 177.20 1aoi s ILE 29 N -3.54 4.12 0.68 2.60 -1.09 -0.88 -4.98 121.20 118.12 1aoi s ILE 29 Ca 0.02 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.72 1aoi s ILE 29 Cb 0.09 -4.90 0.01 0.00 -1.58 0.00 0.00 42.46 36.08 1aoi s ILE 29 CO 0.64 -1.74 1.06 0.42 -1.23 0.00 0.00 174.94 174.09 1aoi s THR 30 N 4.49 3.86 0.16 2.92 -4.23 -1.26 -4.87 115.64 116.72 1aoi s THR 30 Ca 0.36 0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 61.37 1aoi s THR 30 Cb -0.06 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.54 1aoi s THR 30 CO -0.01 -0.73 1.67 0.50 -0.54 0.00 0.00 174.62 175.51 1aoi h LYS 31 N -0.52 -0.01 -0.08 3.99 3.64 -1.93 -0.70 116.57 120.96 1aoi h LYS 31 Ca -0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1aoi h LYS 31 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1aoi h LYS 31 CO 0.56 -0.01 -0.08 -1.00 -2.27 0.00 0.00 179.45 176.66 1aoi h PRO 32 N -0.01 0.12 0.16 1.90 0.13 -1.98 0.37 132.00 132.70 1aoi h PRO 32 Ca 0.18 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1aoi h PRO 32 Cb 0.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1aoi h PRO 32 CO -0.39 0.21 -0.08 0.00 -0.23 0.00 0.00 178.00 177.52 1aoi h ALA 33 N 1.80 -0.21 -0.97 -0.56 0.00 -1.71 0.11 119.26 117.72 1aoi h ALA 33 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1aoi h ALA 33 Cb 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1aoi h ALA 33 CO 0.01 -0.44 0.63 0.82 0.00 0.00 0.00 179.25 180.27 1aoi h ILE 34 N -0.57 1.15 -0.54 0.00 2.04 -0.88 -0.91 117.51 117.81 1aoi h ILE 34 Ca -0.02 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1aoi h ILE 34 Cb 0.44 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1aoi h ILE 34 CO 0.04 0.22 0.33 -0.09 0.00 0.00 0.00 178.15 178.65 1aoi h ARG 35 N 1.21 0.65 -0.59 2.37 2.43 -0.08 -1.51 114.38 118.86 1aoi h ARG 35 Ca 0.39 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1aoi h ARG 35 Cb 0.02 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1aoi h ARG 35 CO -0.13 0.43 0.36 0.00 -1.51 0.00 0.00 179.97 179.13 1aoi h ARG 36 N 0.67 0.70 0.18 0.20 3.08 0.49 -1.98 114.38 117.72 1aoi h ARG 36 Ca 0.21 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1aoi h ARG 36 Cb -0.02 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 1aoi h ARG 36 CO -0.08 0.46 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.88 1aoi h LEU 37 N 0.72 -0.97 -0.73 3.04 3.38 -0.75 -2.24 115.31 117.76 1aoi h LEU 37 Ca 0.23 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.47 1aoi h LEU 37 Cb 0.00 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 40.99 1aoi h LEU 37 CO -0.09 -0.44 0.13 0.00 0.09 0.00 0.00 178.44 178.13 1aoi h ALA 38 N -0.01 0.90 -0.69 1.53 0.00 -1.04 -0.79 119.26 119.15 1aoi h ALA 38 Ca 0.02 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1aoi h ALA 38 Cb 0.61 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1aoi h ALA 38 CO -0.16 -0.37 0.44 0.00 0.00 0.00 0.00 179.25 179.15 1aoi h ARG 39 N 0.21 0.85 0.00 0.00 2.47 -0.93 -0.29 114.38 116.69 1aoi h ARG 39 Ca 0.41 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 59.06 1aoi h ARG 39 Cb 0.72 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1aoi h ARG 39 CO -0.55 0.56 -0.12 -0.09 0.56 0.00 0.00 179.97 180.33 1aoi h ARG 40 N 0.87 0.00 0.00 0.04 2.43 -0.59 0.75 114.38 117.88 1aoi h ARG 40 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1aoi h ARG 40 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1aoi h ARG 40 CO -0.09 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 1aoi n GLY 41 N -1.15 -1.18 1.16 2.80 0.00 -0.20 -4.93 105.19 101.70 1aoi n GLY 41 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1aoi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoi n GLY 42 N 1.07 0.69 3.73 -0.02 0.00 0.26 -5.06 105.19 105.86 1aoi n GLY 42 Ca 0.14 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1aoi n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoi s VAL 43 N -2.00 4.33 -0.25 1.61 1.01 -0.78 -4.99 120.40 119.34 1aoi s VAL 43 Ca 0.00 1.95 -0.05 0.00 0.00 0.00 0.00 61.98 63.88 1aoi s VAL 43 Cb 0.00 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1aoi s VAL 43 CO 0.00 0.31 -0.26 1.17 0.00 0.00 0.00 175.10 176.31 1aoi n LYS 44 N 2.70 0.57 -5.06 2.72 4.81 -1.26 -4.37 118.16 118.27 1aoi n LYS 44 Ca 0.02 0.18 -0.28 0.00 -0.87 0.00 0.00 58.31 57.37 1aoi n LYS 44 Cb 0.48 -1.45 -0.16 0.00 0.02 0.00 0.00 35.03 33.93 1aoi n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1aoi s ARG 45 N -2.47 1.86 -0.11 1.64 3.52 -1.26 -5.13 118.95 117.00 1aoi s ARG 45 Ca -0.34 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 1aoi s ARG 45 Cb 0.11 -1.74 0.02 0.00 -1.56 0.00 0.00 34.95 31.78 1aoi s ARG 45 CO 0.50 0.43 -0.10 0.42 -0.81 0.00 0.00 175.30 175.74 1aoi s ILE 46 N -0.39 1.14 0.50 4.11 1.01 -1.26 -5.13 121.20 121.18 1aoi s ILE 46 Ca 0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.09 1aoi s ILE 46 Cb -0.09 -1.11 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 1aoi s ILE 46 CO 0.00 0.38 1.38 -0.24 0.00 0.00 0.00 174.94 176.46 1aoi n SER 47 N 4.70 2.92 0.25 3.58 2.88 -1.26 -4.87 113.62 121.82 1aoi n SER 47 Ca -0.15 1.04 0.18 0.00 -1.33 0.00 0.00 58.87 58.61 1aoi n SER 47 Cb 0.50 -1.58 0.90 0.00 -0.75 0.00 0.00 64.21 63.28 1aoi n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1aoi h GLY 48 N 1.79 0.00 0.50 0.46 0.00 -2.06 -1.70 103.07 102.06 1aoi h GLY 48 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1aoi h GLY 48 CO 0.59 0.00 -0.14 1.04 0.00 0.00 0.00 176.54 178.03 1aoi n LEU 49 N -3.48 0.77 0.12 3.11 4.77 -1.26 -4.14 117.00 116.90 1aoi n LEU 49 Ca 0.00 -0.15 0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1aoi n LEU 49 Cb 0.30 -0.13 0.39 0.00 -2.33 0.00 0.00 43.42 41.65 1aoi n LEU 49 CO 0.23 0.14 0.88 0.40 -1.33 0.00 0.00 177.39 177.71 1aoi h ILE 50 N 1.00 1.18 -0.18 -0.08 1.08 -1.67 -2.85 117.51 115.99 1aoi h ILE 50 Ca 0.00 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1aoi h ILE 50 Cb 0.41 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1aoi h ILE 50 CO 0.00 0.25 0.06 1.88 -0.69 0.00 0.00 178.15 179.65 1aoi h TYR 51 N 0.21 0.28 -0.41 1.37 0.05 -1.80 0.31 116.97 116.99 1aoi h TYR 51 Ca 0.04 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1aoi h TYR 51 Cb 0.39 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1aoi h TYR 51 CO 0.01 0.37 -0.15 0.93 -1.05 0.00 0.00 178.16 178.26 1aoi h GLU 52 N 0.12 0.82 -0.19 4.88 4.39 -1.85 -0.74 114.58 122.02 1aoi h GLU 52 Ca 0.06 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1aoi h GLU 52 Cb 0.21 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1aoi h GLU 52 CO -0.00 0.97 -0.03 1.49 -1.16 0.00 0.00 179.01 180.28 1aoi h GLU 53 N 0.64 0.03 -0.65 2.33 4.57 -1.24 -2.21 114.58 118.04 1aoi h GLU 53 Ca 0.10 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1aoi h GLU 53 Cb 0.70 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1aoi h GLU 53 CO 0.05 0.02 0.42 1.15 -1.18 0.00 0.00 179.01 179.47 1aoi h THR 54 N 0.03 1.17 -0.87 0.32 2.02 -0.13 -1.71 112.91 113.73 1aoi h THR 54 Ca 0.09 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 67.00 1aoi h THR 54 Cb 0.13 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 1aoi h THR 54 CO -0.18 0.17 0.57 0.03 0.37 0.00 0.00 175.52 176.48 1aoi h ARG 55 N 0.88 0.97 -0.39 6.66 3.08 -0.67 -0.43 114.38 124.49 1aoi h ARG 55 Ca 0.24 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 1aoi h ARG 55 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 1aoi h ARG 55 CO -0.05 0.64 -0.21 0.78 -1.07 0.00 0.00 179.97 180.06 1aoi h GLY 56 N 1.00 0.84 0.83 0.04 0.00 -0.74 -1.06 103.07 103.98 1aoi h GLY 56 Ca 0.37 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1aoi h GLY 56 CO -0.13 0.64 0.03 -2.08 0.00 0.00 0.00 176.54 175.00 1aoi h VAL 57 N 0.68 1.18 -0.86 4.60 2.07 -0.86 -2.46 116.25 120.60 1aoi h VAL 57 Ca 0.10 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1aoi h VAL 57 Cb 0.72 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1aoi h VAL 57 CO 0.06 0.17 0.57 0.25 0.02 0.00 0.00 177.57 178.63 1aoi h LEU 58 N -0.00 0.98 -0.18 2.57 5.85 -0.83 0.33 115.31 124.02 1aoi h LEU 58 Ca 0.04 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1aoi h LEU 58 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1aoi h LEU 58 CO -0.00 0.70 0.10 0.50 -0.34 0.00 0.00 178.44 179.40 1aoi h LYS 59 N 1.15 0.26 -0.68 1.25 3.64 -1.11 -0.32 116.57 120.76 1aoi h LYS 59 Ca 0.32 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1aoi h LYS 59 Cb -0.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1aoi h LYS 59 CO -0.07 0.27 0.40 0.28 -2.27 0.00 0.00 179.45 178.06 1aoi h VAL 60 N 0.19 1.20 0.45 2.00 2.07 -0.90 0.13 116.25 121.38 1aoi h VAL 60 Ca 0.06 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1aoi h VAL 60 Cb 0.08 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1aoi h VAL 60 CO -0.01 0.21 -0.43 0.15 0.02 0.00 0.00 177.57 177.51 1aoi h PHE 61 N 0.92 -1.19 -0.43 1.57 3.57 -0.66 -1.59 116.94 119.13 1aoi h PHE 61 Ca 0.24 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1aoi h PHE 61 Cb -0.02 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1aoi h PHE 61 CO -0.01 -0.58 0.11 -0.07 -2.23 0.00 0.00 178.31 175.53 1aoi h LEU 62 N -0.87 0.07 -0.02 0.59 3.38 -0.87 -2.34 115.31 115.25 1aoi h LEU 62 Ca -0.06 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1aoi h LEU 62 Cb 0.75 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1aoi h LEU 62 CO -0.04 0.07 -0.44 -0.33 0.09 0.00 0.00 178.44 177.78 1aoi h GLU 63 N 0.26 -0.56 -0.12 1.13 5.08 -0.58 0.98 114.58 120.77 1aoi h GLU 63 Ca 0.21 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1aoi h GLU 63 Cb 0.24 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1aoi h GLU 63 CO -0.25 -0.37 -0.24 -0.91 -1.00 0.00 0.00 179.01 176.24 1aoi h ASN 64 N -0.58 -0.73 0.02 1.42 2.35 -1.03 -0.19 115.58 116.84 1aoi h ASN 64 Ca 0.05 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1aoi h ASN 64 Cb 0.67 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1aoi h ASN 64 CO -0.34 -0.29 -0.01 0.58 -1.65 0.00 0.00 177.43 175.72 1aoi h VAL 65 N -0.31 1.08 -0.70 2.81 2.07 -1.15 -3.01 116.25 117.05 1aoi h VAL 65 Ca 0.10 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1aoi h VAL 65 Cb 0.45 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1aoi h VAL 65 CO -0.29 0.08 0.33 0.40 0.02 0.00 0.00 177.57 178.10 1aoi h ILE 66 N -0.16 1.23 -0.44 4.57 2.04 -0.63 -0.25 117.51 123.86 1aoi h ILE 66 Ca -0.00 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.28 1aoi h ILE 66 Cb 0.15 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1aoi h ILE 66 CO 0.00 0.27 0.05 -0.09 0.00 0.00 0.00 178.15 178.39 1aoi h ARG 67 N 1.00 0.17 -0.10 2.37 2.43 -0.94 0.24 114.38 119.55 1aoi h ARG 67 Ca 0.24 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1aoi h ARG 67 Cb 0.12 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1aoi h ARG 67 CO -0.03 0.11 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.08 1aoi h ASP 68 N 0.18 0.19 0.13 -3.80 5.19 -1.25 -1.84 116.42 115.23 1aoi h ASP 68 Ca 0.22 -0.38 0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1aoi h ASP 68 Cb 0.29 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1aoi h ASP 68 CO -0.31 0.53 -0.45 0.00 -3.12 0.00 0.00 179.24 175.89 1aoi h ALA 69 N 0.67 -0.82 -0.77 3.45 0.00 -0.56 0.90 119.26 122.14 1aoi h ALA 69 Ca 0.02 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1aoi h ALA 69 Cb 0.44 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1aoi h ALA 69 CO 0.01 -1.03 0.51 0.28 0.00 0.00 0.00 179.25 179.02 1aoi h VAL 70 N -0.69 0.86 -0.80 0.00 2.07 -0.59 0.27 116.25 117.37 1aoi h VAL 70 Ca 0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1aoi h VAL 70 Cb 0.71 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1aoi h VAL 70 CO -0.25 0.10 0.38 0.74 0.02 0.00 0.00 177.57 178.56 1aoi h THR 71 N 0.55 1.25 -0.38 2.57 2.02 -0.27 0.17 112.91 118.81 1aoi h THR 71 Ca 0.37 -0.71 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 1aoi h THR 71 Cb 0.67 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1aoi h THR 71 CO -0.13 0.30 -0.23 1.88 0.37 0.00 0.00 175.52 177.71 1aoi h TYR 72 N 1.14 0.97 0.31 3.16 0.05 0.17 -2.17 116.97 120.60 1aoi h TYR 72 Ca 0.27 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1aoi h TYR 72 Cb 0.12 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1aoi h TYR 72 CO 0.01 1.03 -0.43 1.15 -1.05 0.00 0.00 178.16 178.87 1aoi h THR 73 N 0.64 0.14 -0.30 -2.88 2.02 0.29 -0.88 112.91 111.95 1aoi h THR 73 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1aoi h THR 73 Cb 0.79 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1aoi h THR 73 CO 0.06 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.47 1aoi h GLU 74 N -0.79 -0.11 -0.88 6.66 5.08 -0.72 -0.32 114.58 123.50 1aoi h GLU 74 Ca -0.02 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1aoi h GLU 74 Cb 0.74 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1aoi h GLU 74 CO -0.13 -0.08 0.57 1.25 -1.00 0.00 0.00 179.01 179.62 1aoi h HIS 75 N -0.12 0.91 0.00 4.33 2.76 -1.03 0.36 115.15 122.36 1aoi h HIS 75 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1aoi h HIS 75 Cb 0.35 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1aoi h HIS 75 CO -0.35 0.40 0.00 0.00 -1.30 0.00 0.00 177.93 176.68 1aoi n ALA 76 N -2.42 2.23 -1.56 5.26 0.00 -0.16 -4.83 120.51 119.03 1aoi n ALA 76 Ca 0.15 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1aoi n ALA 76 Cb 0.34 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 1aoi n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoi n LYS 77 N -0.70 -1.48 -3.63 0.00 5.02 0.12 -4.97 118.16 112.52 1aoi n LYS 77 Ca 0.06 1.18 -0.25 0.00 -2.02 0.00 0.00 58.31 57.28 1aoi n LYS 77 Cb 0.03 -5.57 -0.02 0.00 -0.02 0.00 0.00 35.03 29.44 1aoi n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aoi s ARG 78 N -3.64 3.50 0.00 1.97 0.52 -1.04 -5.01 118.95 115.25 1aoi s ARG 78 Ca 0.00 -0.40 0.13 0.00 -0.52 0.00 0.00 55.73 54.94 1aoi s ARG 78 Cb 0.00 -2.79 0.34 0.00 0.52 0.00 0.00 34.95 33.03 1aoi s ARG 78 CO 0.00 0.32 1.27 1.17 0.02 0.00 0.00 175.30 178.08 1aoi n LYS 79 N -1.13 2.70 -4.08 3.54 4.81 -1.26 -4.35 118.16 118.37 1aoi n LYS 79 Ca -0.05 -2.09 -0.20 0.00 -0.87 0.00 0.00 58.31 55.10 1aoi n LYS 79 Cb 0.55 -1.31 -0.16 0.00 0.02 0.00 0.00 35.03 34.12 1aoi n LYS 79 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1aoi s THR 80 N -1.01 0.48 -0.37 3.15 2.01 -1.26 -5.11 115.64 113.54 1aoi s THR 80 Ca 0.26 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 1aoi s THR 80 Cb 0.14 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1aoi s THR 80 CO 0.18 0.22 1.24 -0.69 -0.69 0.00 0.00 174.62 174.88 1aoi s VAL 81 N 1.07 4.19 0.48 3.82 1.01 -1.26 -4.96 120.40 124.75 1aoi s VAL 81 Ca -0.09 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 1aoi s VAL 81 Cb -0.14 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1aoi s VAL 81 CO -0.01 -0.66 0.80 0.42 0.00 0.00 0.00 175.10 175.66 1aoi s THR 82 N 4.44 4.88 0.41 3.92 -4.23 -1.26 -4.94 115.64 118.85 1aoi s THR 82 Ca 0.53 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1aoi s THR 82 Cb -0.13 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.16 1aoi s THR 82 CO 0.25 -0.82 2.01 0.00 -0.54 0.00 0.00 174.62 175.53 1aoi h ALA 83 N 0.36 1.81 -0.23 3.99 0.00 -1.95 -0.72 119.26 122.51 1aoi h ALA 83 Ca -0.47 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1aoi h ALA 83 Cb 1.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1aoi h ALA 83 CO 0.62 0.12 0.01 0.52 0.00 0.00 0.00 179.25 180.51 1aoi h MET 84 N 0.55 0.08 -0.83 0.00 2.86 -1.92 0.18 114.93 115.85 1aoi h MET 84 Ca 0.23 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.93 1aoi h MET 84 Cb 0.21 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1aoi h MET 84 CO -0.06 0.05 0.50 -0.44 1.06 0.00 0.00 176.91 178.02 1aoi h ASP 85 N 0.08 0.76 -0.57 1.22 3.32 -1.50 -0.10 116.42 119.63 1aoi h ASP 85 Ca 0.11 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1aoi h ASP 85 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1aoi h ASP 85 CO -0.18 0.48 0.14 0.58 -1.72 0.00 0.00 179.24 178.54 1aoi h VAL 86 N 0.89 1.25 -0.12 -1.35 2.07 -0.79 -2.28 116.25 115.93 1aoi h VAL 86 Ca 0.37 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1aoi h VAL 86 Cb 0.22 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1aoi h VAL 86 CO -0.19 0.33 0.05 0.58 0.02 0.00 0.00 177.57 178.35 1aoi h VAL 87 N 0.82 1.15 -0.81 2.57 2.07 -0.18 -1.59 116.25 120.27 1aoi h VAL 87 Ca 0.18 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1aoi h VAL 87 Cb 0.35 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1aoi h VAL 87 CO 0.00 0.13 0.51 1.88 0.02 0.00 0.00 177.57 180.12 1aoi h TYR 88 N 0.03 0.96 -0.58 1.57 0.05 -1.01 -1.21 116.97 116.79 1aoi h TYR 88 Ca 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1aoi h TYR 88 Cb 0.17 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1aoi h TYR 88 CO -0.02 0.54 0.24 0.00 -1.05 0.00 0.00 178.16 177.88 1aoi h ALA 89 N 1.34 0.75 -0.25 3.88 0.00 -1.27 -2.80 119.26 120.91 1aoi h ALA 89 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aoi h ALA 89 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1aoi h ALA 89 CO -0.12 0.36 0.13 -0.07 0.00 0.00 0.00 179.25 179.55 1aoi h LEU 90 N 0.79 0.32 -1.19 0.00 3.38 -0.93 -1.82 115.31 115.88 1aoi h LEU 90 Ca 0.19 -0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.21 1aoi h LEU 90 Cb 0.19 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1aoi h LEU 90 CO -0.02 0.34 0.60 0.50 0.09 0.00 0.00 178.44 179.95 1aoi h LYS 91 N 0.28 0.72 -0.34 1.13 3.64 -1.07 0.27 116.57 121.20 1aoi h LYS 91 Ca 0.09 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1aoi h LYS 91 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1aoi h LYS 91 CO -0.01 0.47 -0.34 0.00 -2.27 0.00 0.00 179.45 177.30 1aoi h ARG 92 N 0.74 0.78 0.00 1.90 3.08 -1.28 -2.04 114.38 117.55 1aoi h ARG 92 Ca 0.50 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1aoi h ARG 92 Cb 0.78 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1aoi h ARG 92 CO -0.26 1.00 0.00 1.96 -1.07 0.00 0.00 179.97 181.60 1aoi h GLN 93 N 0.65 0.00 0.00 0.04 1.08 0.12 -3.45 115.11 113.55 1aoi h GLN 93 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1aoi h GLN 93 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1aoi h GLN 93 CO 0.08 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 1aoi n GLY 94 N -0.21 0.62 1.00 3.46 0.00 -0.13 -4.95 105.19 104.98 1aoi n GLY 94 Ca 0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 1aoi n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoi n ARG 95 N -1.18 2.01 -0.68 1.61 5.12 0.66 -5.00 116.66 119.21 1aoi n ARG 95 Ca 0.00 -3.08 -0.26 0.00 -1.93 0.00 0.00 57.85 52.58 1aoi n ARG 95 Cb 0.38 -1.79 -0.04 0.00 -1.16 0.00 0.00 32.46 29.85 1aoi n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1aoi n THR 96 N -1.02 0.00 -4.89 0.55 -1.04 -1.24 -4.66 114.28 101.98 1aoi n THR 96 Ca 0.29 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.97 1aoi n THR 96 Cb 0.96 -0.13 -0.16 0.00 -1.82 0.00 0.00 70.33 69.18 1aoi n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1aoi s LEU 97 N 0.78 2.24 -0.00 -4.42 2.96 -1.26 -5.00 118.68 113.98 1aoi s LEU 97 Ca 0.41 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1aoi s LEU 97 Cb -0.58 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1aoi s LEU 97 CO 0.30 0.12 0.32 -0.31 -1.32 0.00 0.00 176.35 175.46 1aoi s TYR 98 N 0.56 3.63 0.00 5.38 2.02 -1.26 -4.50 117.35 123.18 1aoi s TYR 98 Ca -0.12 0.74 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1aoi s TYR 98 Cb -0.17 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1aoi s TYR 98 CO 0.04 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.05 1aoi n GLY 99 N 1.43 1.11 0.89 0.71 0.00 -1.26 -4.99 105.19 103.08 1aoi n GLY 99 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1aoi n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1aoi n PHE 100 N -0.34 0.00 0.00 1.61 3.01 -1.26 -5.07 117.46 115.41 1aoi n PHE 100 Ca 0.00 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.43 1aoi n PHE 100 Cb 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1aoi n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aoi n GLY 101 N -0.49 0.01 0.00 1.37 0.00 -1.26 -4.60 105.19 100.22 1aoi n GLY 101 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1aoi n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93