#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hue s VAL 21 N 0.00 2.37 0.22 3.15 -7.23 -1.26 -5.04 120.40 112.61 2hue s VAL 21 Ca 0.00 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 2hue s VAL 21 Cb 0.00 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.25 2hue s VAL 21 CO 0.00 0.00 1.69 0.25 -0.31 0.00 0.00 175.10 176.73 2hue h LEU 22 N 1.14 -0.06 -1.18 1.32 6.46 -2.05 -0.83 115.31 120.11 2hue h LEU 22 Ca -0.41 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 2hue h LEU 22 Cb 1.27 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 2hue h LEU 22 CO 0.62 -0.03 0.56 -0.09 -0.62 0.00 0.00 178.44 178.88 2hue h ARG 23 N 0.23 1.08 0.00 1.25 2.43 -1.99 -0.62 114.38 116.75 2hue h ARG 23 Ca 0.34 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2hue h ARG 23 Cb 0.53 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2hue h ARG 23 CO -0.45 0.71 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.19 2hue h ASP 24 N 1.11 0.00 -0.60 -3.80 3.32 -1.56 -2.86 116.42 112.04 2hue h ASP 24 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2hue h ASP 24 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2hue h ASP 24 CO -0.08 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 2hue n ASN 25 N -4.17 4.21 -4.72 6.45 3.02 -0.26 -4.90 115.26 114.89 2hue n ASN 25 Ca -0.03 -2.30 -0.42 0.00 -0.03 0.00 0.00 54.58 51.80 2hue n ASN 25 Cb 0.17 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 2hue n ASN 25 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2hue s ILE 26 N -1.56 3.15 0.22 2.41 1.01 -1.08 -5.02 121.20 120.32 2hue s ILE 26 Ca 0.46 0.87 0.12 0.00 0.00 0.00 0.00 60.65 62.09 2hue s ILE 26 Cb 0.28 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 2hue s ILE 26 CO 0.24 0.09 -0.23 -1.10 0.00 0.00 0.00 174.94 173.94 2hue s GLN 27 N 0.67 1.56 0.00 2.79 -1.52 -1.26 -5.05 119.66 116.84 2hue s GLN 27 Ca 0.63 -1.59 0.07 0.00 -1.95 0.00 0.00 55.36 52.52 2hue s GLN 27 Cb -0.38 -1.82 -0.01 0.00 -0.22 0.00 0.00 33.01 30.58 2hue s GLN 27 CO 0.33 0.38 0.49 0.41 -0.25 0.00 0.00 175.29 176.66 2hue n GLY 28 N 0.03 -0.13 2.91 3.09 0.00 -1.26 -4.98 105.19 104.85 2hue n GLY 28 Ca -0.11 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 2hue n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hue s ILE 29 N -1.16 0.35 0.70 -0.61 -4.36 -1.26 -5.16 121.20 109.69 2hue s ILE 29 Ca 0.05 -0.12 -0.06 0.00 -0.26 0.00 0.00 60.65 60.26 2hue s ILE 29 Cb 0.06 -0.34 0.06 0.00 1.25 0.00 0.00 42.46 43.49 2hue s ILE 29 CO 0.19 0.13 1.01 0.42 0.24 0.00 0.00 174.94 176.93 2hue s THR 30 N 0.31 2.31 0.13 8.37 -4.23 -1.26 -4.90 115.64 116.36 2hue s THR 30 Ca -0.03 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.05 2hue s THR 30 Cb -0.07 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 2hue s THR 30 CO -0.00 -0.01 1.64 0.11 -0.54 0.00 0.00 174.62 175.81 2hue h LYS 31 N -0.57 0.63 -0.75 3.99 1.57 -1.99 -1.31 116.57 118.14 2hue h LYS 31 Ca -0.44 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.24 2hue h LYS 31 Cb 1.31 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 2hue h LYS 31 CO 0.60 0.65 0.49 -1.35 -0.57 0.00 0.00 179.45 179.27 2hue h PRO 32 N 0.50 0.83 -0.75 3.15 0.11 -2.00 -0.81 132.00 133.03 2hue h PRO 32 Ca 0.13 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 2hue h PRO 32 Cb 0.29 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2hue h PRO 32 CO -0.00 0.55 0.28 0.00 -0.21 0.00 0.00 178.00 178.61 2hue h ALA 33 N 1.58 0.98 -0.42 -0.75 0.00 -1.80 -1.26 119.26 117.59 2hue h ALA 33 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hue h ALA 33 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2hue h ALA 33 CO -0.10 0.63 0.27 0.82 0.00 0.00 0.00 179.25 180.87 2hue h ILE 34 N 1.10 1.11 -0.84 0.00 2.04 -0.52 0.27 117.51 120.67 2hue h ILE 34 Ca 0.25 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2hue h ILE 34 Cb 0.25 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2hue h ILE 34 CO -0.02 0.11 0.47 0.03 0.00 0.00 0.00 178.15 178.74 2hue h ARG 35 N 0.56 1.16 -0.35 2.37 3.08 -0.81 0.05 114.38 120.45 2hue h ARG 35 Ca 0.15 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2hue h ARG 35 Cb -0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 2hue h ARG 35 CO -0.03 0.85 0.13 0.00 -1.07 0.00 0.00 179.97 179.84 2hue h ARG 36 N 1.17 0.54 -0.64 0.04 3.08 -0.58 -0.51 114.38 117.48 2hue h ARG 36 Ca 0.30 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 2hue h ARG 36 Cb 0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2hue h ARG 36 CO -0.05 0.54 0.21 -0.07 -1.07 0.00 0.00 179.97 179.53 2hue h LEU 37 N 0.42 0.92 -0.32 3.04 3.38 -0.72 -0.50 115.31 121.52 2hue h LEU 37 Ca 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2hue h LEU 37 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2hue h LEU 37 CO -0.01 0.88 0.20 0.00 0.09 0.00 0.00 178.44 179.60 2hue h ALA 38 N 1.08 0.41 -0.61 1.53 0.00 -0.77 -1.17 119.26 119.73 2hue h ALA 38 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2hue h ALA 38 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2hue h ALA 38 CO -0.01 -0.10 0.38 0.00 0.00 0.00 0.00 179.25 179.53 2hue h ARG 39 N 0.42 0.83 -0.42 0.00 3.08 -0.86 -0.79 114.38 116.64 2hue h ARG 39 Ca 0.12 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.15 2hue h ARG 39 Cb -0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2hue h ARG 39 CO -0.02 0.58 0.29 -0.09 -1.07 0.00 0.00 179.97 179.65 2hue h ARG 40 N 0.83 0.37 -0.13 0.04 9.65 -0.77 -0.33 114.38 124.04 2hue h ARG 40 Ca 0.22 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2hue h ARG 40 Cb -0.04 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2hue h ARG 40 CO -0.04 0.24 0.00 0.41 2.80 0.00 0.00 179.97 183.38 2hue n GLY 41 N -1.51 -0.18 1.01 2.80 0.00 -0.47 -4.91 105.19 101.92 2hue n GLY 41 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2hue n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hue n GLY 42 N 0.95 0.69 3.77 -0.02 0.00 -0.13 -5.05 105.19 105.40 2hue n GLY 42 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2hue n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hue s VAL 43 N -2.63 2.98 -0.13 1.61 1.01 -0.40 -4.97 120.40 117.88 2hue s VAL 43 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.95 2hue s VAL 43 Cb 0.00 -3.54 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 2hue s VAL 43 CO 0.00 0.15 -0.02 0.29 0.00 0.00 0.00 175.10 175.52 2hue n LYS 44 N 0.44 1.45 -3.87 2.72 4.01 -1.26 -4.27 118.16 117.38 2hue n LYS 44 Ca 0.02 0.03 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2hue n LYS 44 Cb 0.44 -1.30 -0.11 0.00 -0.51 0.00 0.00 35.03 33.55 2hue n LYS 44 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2hue s ARG 45 N -2.29 0.35 0.02 1.97 0.52 -1.26 -5.12 118.95 113.14 2hue s ARG 45 Ca -0.11 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2hue s ARG 45 Cb 0.04 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.64 2hue s ARG 45 CO 0.44 -0.07 -0.10 0.96 0.02 0.00 0.00 175.30 176.55 2hue s ILE 46 N -0.94 0.74 0.47 1.52 -4.36 -1.26 -5.13 121.20 112.24 2hue s ILE 46 Ca -0.10 -0.69 -0.23 0.00 -0.26 0.00 0.00 60.65 59.37 2hue s ILE 46 Cb -0.06 -0.68 -0.07 0.00 1.25 0.00 0.00 42.46 42.91 2hue s ILE 46 CO 0.01 0.00 1.26 -0.55 0.24 0.00 0.00 174.94 175.90 2hue s SER 47 N -0.76 5.90 0.64 4.36 0.15 -1.26 -4.93 113.70 117.80 2hue s SER 47 Ca -0.00 2.55 0.41 0.00 0.70 0.00 0.00 55.95 59.61 2hue s SER 47 Cb -0.06 -2.62 2.19 0.00 -1.71 0.00 0.00 66.02 63.82 2hue s SER 47 CO 0.00 -1.12 2.30 1.23 1.20 0.00 0.00 173.24 176.85 2hue h GLY 48 N 2.01 0.00 1.73 9.45 0.00 -2.06 -1.73 103.07 112.47 2hue h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2hue h GLY 48 CO 0.60 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.18 2hue n LEU 49 N -3.17 0.00 0.16 3.11 4.77 -1.26 -3.61 117.00 117.00 2hue n LEU 49 Ca -0.02 0.36 0.02 0.00 -0.03 0.00 0.00 56.01 56.34 2hue n LEU 49 Cb 0.11 -0.36 0.33 0.00 -2.33 0.00 0.00 43.42 41.17 2hue n LEU 49 CO 0.22 -0.07 0.72 0.40 -1.33 0.00 0.00 177.39 177.33 2hue h ILE 50 N 0.00 1.27 -0.03 -0.08 1.08 -1.69 -2.46 117.51 115.60 2hue h ILE 50 Ca 0.00 -1.30 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 2hue h ILE 50 Cb 0.29 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2hue h ILE 50 CO 0.00 0.37 0.01 1.88 -0.69 0.00 0.00 178.15 179.73 2hue h TYR 51 N 0.05 0.05 -0.45 1.37 0.05 -1.79 0.50 116.97 116.76 2hue h TYR 51 Ca 0.00 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2hue h TYR 51 Cb 0.67 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 2hue h TYR 51 CO 0.00 0.17 -0.14 1.49 -1.05 0.00 0.00 178.16 178.63 2hue h GLU 52 N -0.09 0.84 -0.23 4.88 4.57 -1.81 -1.50 114.58 121.25 2hue h GLU 52 Ca 0.01 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2hue h GLU 52 Cb 0.14 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2hue h GLU 52 CO -0.00 0.93 0.13 1.49 -1.18 0.00 0.00 179.01 180.38 2hue h GLU 53 N 0.75 0.31 -0.44 1.92 4.57 -1.17 -1.28 114.58 119.24 2hue h GLU 53 Ca 0.12 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2hue h GLU 53 Cb 0.65 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2hue h GLU 53 CO 0.05 0.27 0.24 1.15 -1.18 0.00 0.00 179.01 179.54 2hue h THR 54 N 0.26 1.16 -0.73 0.32 2.02 -0.75 -1.52 112.91 113.69 2hue h THR 54 Ca 0.08 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2hue h THR 54 Cb 0.05 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 2hue h THR 54 CO -0.01 0.17 0.42 0.03 0.37 0.00 0.00 175.52 176.49 2hue h ARG 55 N 0.58 0.74 -0.66 6.66 3.08 -1.10 0.19 114.38 123.86 2hue h ARG 55 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2hue h ARG 55 Cb 0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2hue h ARG 55 CO -0.02 0.49 0.39 0.78 -1.07 0.00 0.00 179.97 180.54 2hue h GLY 56 N 0.76 0.97 1.18 0.04 0.00 -0.81 -1.19 103.07 104.02 2hue h GLY 56 Ca 0.33 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2hue h GLY 56 CO -0.19 0.40 -0.19 -2.08 0.00 0.00 0.00 176.54 174.48 2hue h VAL 57 N 0.90 1.27 -0.64 4.60 2.07 -0.84 -2.26 116.25 121.35 2hue h VAL 57 Ca 0.24 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2hue h VAL 57 Cb -0.01 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2hue h VAL 57 CO -0.04 0.46 0.15 0.25 0.02 0.00 0.00 177.57 178.41 2hue h LEU 58 N 0.82 0.96 0.10 2.57 5.85 -0.75 -1.47 115.31 123.38 2hue h LEU 58 Ca 0.11 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2hue h LEU 58 Cb 0.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2hue h LEU 58 CO 0.06 0.93 -0.12 0.50 -0.34 0.00 0.00 178.44 179.47 2hue h LYS 59 N 0.97 -0.24 -0.37 1.25 3.64 -0.83 -0.10 116.57 120.89 2hue h LYS 59 Ca 0.20 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2hue h LYS 59 Cb 0.35 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2hue h LYS 59 CO 0.00 -0.16 0.21 0.28 -2.27 0.00 0.00 179.45 177.51 2hue h VAL 60 N -0.25 1.03 -0.28 2.00 2.07 -1.19 0.19 116.25 119.82 2hue h VAL 60 Ca 0.01 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2hue h VAL 60 Cb 0.25 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2hue h VAL 60 CO -0.05 0.08 0.01 0.15 0.02 0.00 0.00 177.57 177.78 2hue h PHE 61 N 0.43 0.00 -0.52 1.57 3.57 -0.92 -1.22 116.94 119.85 2hue h PHE 61 Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2hue h PHE 61 Cb 0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2hue h PHE 61 CO -0.08 -0.04 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.78 2hue h LEU 62 N 0.09 1.01 -0.53 0.59 3.38 -0.51 -1.76 115.31 117.59 2hue h LEU 62 Ca 0.13 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2hue h LEU 62 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2hue h LEU 62 CO -0.22 1.13 0.34 -0.33 0.09 0.00 0.00 178.44 179.45 2hue h GLU 63 N 0.87 0.67 -0.11 1.13 5.08 -0.27 0.13 114.58 122.08 2hue h GLU 63 Ca 0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hue h GLU 63 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2hue h GLU 63 CO 0.05 0.44 0.06 -0.91 -1.00 0.00 0.00 179.01 177.65 2hue h ASN 64 N 0.69 0.14 -0.12 1.42 2.35 -1.06 -0.72 115.58 118.28 2hue h ASN 64 Ca 0.20 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2hue h ASN 64 Cb -0.05 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2hue h ASN 64 CO -0.06 0.20 -0.01 0.58 -1.65 0.00 0.00 177.43 176.50 2hue h VAL 65 N 0.07 1.27 -0.39 2.81 2.07 -1.16 -2.93 116.25 117.99 2hue h VAL 65 Ca 0.04 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 2hue h VAL 65 Cb 0.10 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2hue h VAL 65 CO -0.01 0.25 -0.06 0.40 0.02 0.00 0.00 177.57 178.17 2hue h ILE 66 N -0.06 1.24 -0.59 4.57 2.04 -0.75 -0.06 117.51 123.90 2hue h ILE 66 Ca 0.03 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 64.93 2hue h ILE 66 Cb 0.39 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2hue h ILE 66 CO 0.01 0.34 0.32 -0.09 0.00 0.00 0.00 178.15 178.73 2hue h ARG 67 N 0.61 0.59 -0.20 2.37 2.43 -1.09 0.14 114.38 119.23 2hue h ARG 67 Ca 0.12 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2hue h ARG 67 Cb 0.47 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2hue h ARG 67 CO 0.02 0.39 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.10 2hue h ASP 68 N 0.61 0.63 -0.66 -3.80 3.32 -1.25 -2.42 116.42 112.84 2hue h ASP 68 Ca 0.26 -0.53 0.07 0.00 0.02 0.00 0.00 57.03 56.85 2hue h ASP 68 Cb 0.15 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 2hue h ASP 68 CO -0.17 1.05 0.35 0.00 -1.72 0.00 0.00 179.24 178.75 2hue h ALA 69 N 0.60 0.89 -0.71 3.45 0.00 -0.63 -1.68 119.26 121.18 2hue h ALA 69 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2hue h ALA 69 Cb 0.93 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2hue h ALA 69 CO 0.08 -0.01 0.21 0.28 0.00 0.00 0.00 179.25 179.80 2hue h VAL 70 N 0.62 1.26 -0.70 0.00 2.07 -0.70 -1.60 116.25 117.21 2hue h VAL 70 Ca 0.31 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2hue h VAL 70 Cb 0.25 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2hue h VAL 70 CO -0.22 0.36 0.38 0.74 0.02 0.00 0.00 177.57 178.85 2hue h THR 71 N 1.06 0.94 -0.19 2.57 2.02 -0.82 0.00 112.91 118.48 2hue h THR 71 Ca 0.23 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 67.01 2hue h THR 71 Cb 0.32 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2hue h THR 71 CO -0.00 0.13 -0.53 1.88 0.37 0.00 0.00 175.52 177.36 2hue h TYR 72 N 0.69 0.70 -0.46 3.16 0.99 -1.01 -1.61 116.97 119.43 2hue h TYR 72 Ca 0.32 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 2hue h TYR 72 Cb 0.25 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.82 2hue h TYR 72 CO -0.08 0.97 0.12 1.15 -0.00 0.00 0.00 178.16 180.32 2hue h THR 73 N 0.44 1.23 -0.68 -2.88 2.02 -0.78 -1.86 112.91 110.40 2hue h THR 73 Ca 0.01 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 2hue h THR 73 Cb 1.07 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2hue h THR 73 CO 0.10 0.29 0.20 -0.33 0.37 0.00 0.00 175.52 176.14 2hue h GLU 74 N 0.61 1.06 0.00 6.66 5.08 -0.83 -1.83 114.58 125.32 2hue h GLU 74 Ca 0.14 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2hue h GLU 74 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2hue h GLU 74 CO 0.00 0.93 -0.27 0.45 -1.00 0.00 0.00 179.01 179.12 2hue h HIS 75 N 1.00 0.00 -0.05 4.33 3.86 -1.06 -1.04 115.15 122.19 2hue h HIS 75 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2hue h HIS 75 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2hue h HIS 75 CO 0.02 0.27 0.00 0.00 0.86 0.00 0.00 177.93 179.09 2hue n ALA 76 N -2.28 2.59 -2.70 2.45 0.00 -0.72 -4.91 120.51 114.93 2hue n ALA 76 Ca -0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 2hue n ALA 76 Cb 0.42 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.64 2hue n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hue n LYS 77 N -0.41 -3.25 -4.06 0.00 4.76 -0.39 -5.00 118.16 109.80 2hue n LYS 77 Ca 0.16 0.93 -0.22 0.00 -2.87 0.00 0.00 58.31 56.31 2hue n LYS 77 Cb 0.16 -5.65 -0.04 0.00 -1.84 0.00 0.00 35.03 27.66 2hue n LYS 77 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2hue s ARG 78 N -5.35 2.93 -0.00 1.97 0.52 -0.72 -5.02 118.95 113.28 2hue s ARG 78 Ca 0.15 -1.07 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 2hue s ARG 78 Cb -0.07 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 2hue s ARG 78 CO 0.19 0.36 0.36 1.63 0.02 0.00 0.00 175.30 177.86 2hue n LYS 79 N -1.22 4.07 -3.90 3.54 5.02 -1.26 -4.32 118.16 120.09 2hue n LYS 79 Ca -0.07 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 2hue n LYS 79 Cb 0.58 -0.91 -0.12 0.00 -0.02 0.00 0.00 35.03 34.56 2hue n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hue s THR 80 N -1.83 4.40 0.01 -0.18 2.01 -1.26 -5.09 115.64 113.70 2hue s THR 80 Ca 0.03 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2hue s THR 80 Cb 0.07 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2hue s THR 80 CO 0.36 0.39 0.89 -0.69 -0.69 0.00 0.00 174.62 174.87 2hue s VAL 81 N 1.14 4.83 0.30 3.82 1.01 -1.26 -4.96 120.40 125.28 2hue s VAL 81 Ca 0.04 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.97 2hue s VAL 81 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2hue s VAL 81 CO 0.03 0.23 0.28 0.42 0.00 0.00 0.00 175.10 176.06 2hue s THR 82 N 0.66 3.98 0.34 3.92 -4.23 -1.26 -5.01 115.64 114.04 2hue s THR 82 Ca 0.46 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 2hue s THR 82 Cb -0.21 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.60 2hue s THR 82 CO 0.26 -0.24 1.96 0.00 -0.54 0.00 0.00 174.62 176.06 2hue h ALA 83 N 1.29 1.62 -0.51 3.99 0.00 -1.99 -1.99 119.26 121.67 2hue h ALA 83 Ca -0.46 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.48 2hue h ALA 83 Cb 1.25 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2hue h ALA 83 CO 0.59 0.28 0.20 1.98 0.00 0.00 0.00 179.25 182.29 2hue h MET 84 N 0.85 0.37 -0.72 0.00 -1.53 -1.99 0.36 114.93 112.26 2hue h MET 84 Ca 0.31 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.55 2hue h MET 84 Cb 0.16 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 2hue h MET 84 CO -0.10 0.25 0.44 -0.44 0.14 0.00 0.00 176.91 177.20 2hue h ASP 85 N 0.38 0.87 -0.25 1.39 3.32 -1.73 -1.86 116.42 118.55 2hue h ASP 85 Ca 0.24 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 2hue h ASP 85 Cb 0.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2hue h ASP 85 CO -0.23 0.67 -0.17 0.58 -1.72 0.00 0.00 179.24 178.37 2hue h VAL 86 N 0.99 1.31 -0.49 -1.35 2.07 -1.01 -2.11 116.25 115.66 2hue h VAL 86 Ca 0.26 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2hue h VAL 86 Cb -0.04 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2hue h VAL 86 CO -0.05 0.40 0.29 0.58 0.02 0.00 0.00 177.57 178.81 2hue h VAL 87 N 0.26 1.05 -0.55 2.57 2.07 -0.10 -0.22 116.25 121.33 2hue h VAL 87 Ca 0.05 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2hue h VAL 87 Cb 0.70 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2hue h VAL 87 CO 0.05 0.10 0.13 0.22 0.02 0.00 0.00 177.57 178.09 2hue h TYR 88 N 0.57 0.94 -0.27 1.57 5.03 -1.34 -2.64 116.97 120.84 2hue h TYR 88 Ca 0.20 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 2hue h TYR 88 Cb 0.02 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 2hue h TYR 88 CO -0.07 0.82 0.16 0.00 -1.32 0.00 0.00 178.16 177.75 2hue h ALA 89 N 1.01 1.79 0.00 1.82 0.00 -0.75 -1.46 119.26 121.68 2hue h ALA 89 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hue h ALA 89 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2hue h ALA 89 CO 0.00 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2hue n LEU 90 N -4.48 0.29 0.21 0.00 4.77 -0.15 -2.52 117.00 115.11 2hue n LEU 90 Ca 0.01 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 2hue n LEU 90 Cb 0.08 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.00 2hue n LEU 90 CO 0.35 -0.34 0.76 0.11 -1.33 0.00 0.00 177.39 176.93 2hue h LYS 91 N 0.00 0.00 -0.03 3.23 1.57 -1.26 -3.32 116.57 116.76 2hue h LYS 91 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2hue h LYS 91 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2hue h LYS 91 CO 0.00 0.22 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.92 2hue h ARG 92 N 0.00 0.05 0.00 3.15 2.43 -1.64 -1.41 114.38 116.96 2hue h ARG 92 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hue h ARG 92 Cb 0.89 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2hue h ARG 92 CO 0.03 0.14 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 2hue n GLN 93 N -4.40 0.05 -0.17 0.20 10.64 -1.25 -4.99 117.38 117.46 2hue n GLN 93 Ca -0.02 0.39 0.02 0.00 -1.83 0.00 0.00 57.00 55.56 2hue n GLN 93 Cb 0.18 -1.61 -0.01 0.00 -0.86 0.00 0.00 30.24 27.95 2hue n GLN 93 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hue n GLY 94 N -0.56 -2.01 3.07 2.61 0.00 -0.53 -4.86 105.19 102.91 2hue n GLY 94 Ca 0.02 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2hue n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hue s ARG 95 N -0.64 2.63 -0.17 1.61 0.52 -1.26 -4.96 118.95 116.67 2hue s ARG 95 Ca 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 2hue s ARG 95 Cb 0.00 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 2hue s ARG 95 CO 0.00 -0.23 -0.02 0.99 0.02 0.00 0.00 175.30 176.06 2hue s THR 96 N 1.39 3.93 0.36 0.02 2.01 -1.26 -5.10 115.64 116.98 2hue s THR 96 Ca 0.05 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.76 2hue s THR 96 Cb -0.13 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 2hue s THR 96 CO -0.12 0.47 0.20 -1.48 -0.69 0.00 0.00 174.62 173.00 2hue s LEU 97 N 0.63 1.82 -0.17 4.42 -0.00 -1.26 -5.13 118.68 118.99 2hue s LEU 97 Ca -0.02 -1.70 -0.15 0.00 -0.00 0.00 0.00 54.13 52.27 2hue s LEU 97 Cb -0.14 0.24 -0.04 0.00 -0.00 0.00 0.00 46.19 46.24 2hue s LEU 97 CO 0.02 -0.99 0.34 -0.72 -0.00 0.00 0.00 176.35 175.00 2hue s TYR 98 N -3.39 3.43 0.00 3.48 1.13 -1.26 -4.95 117.35 115.79 2hue s TYR 98 Ca 0.33 0.61 0.00 0.00 -1.41 0.00 0.00 57.07 56.59 2hue s TYR 98 Cb 0.03 -2.42 0.00 0.00 -1.10 0.00 0.00 41.96 38.47 2hue s TYR 98 CO 0.21 0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.80 2hue n GLY 99 N 3.60 -2.59 1.34 5.49 0.00 -1.26 -4.67 105.19 107.11 2hue n GLY 99 Ca -0.10 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.36 2hue n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hue n PHE 100 N -0.73 1.45 0.11 1.61 3.01 -1.26 -5.19 117.46 116.46 2hue n PHE 100 Ca 0.00 -0.81 0.01 0.00 1.01 0.00 0.00 57.45 57.66 2hue n PHE 100 Cb 0.00 -0.40 0.05 0.00 -0.01 0.00 0.00 39.48 39.12 2hue n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18