#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s GLU 2 N 0.00 1.07 0.02 2.12 -1.05 -1.26 -4.22 118.70 115.38 3hux s GLU 2 Ca 0.00 -1.47 0.04 0.00 -0.15 0.00 0.00 54.97 53.38 3hux s GLU 2 Cb 0.00 -0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 33.19 3hux s GLU 2 CO 0.00 0.00 -0.11 0.00 0.95 0.00 0.00 175.26 176.10 3hux s ALA 3 N -3.45 0.94 0.46 -0.84 0.00 -1.13 -4.99 121.76 112.76 3hux s ALA 3 Ca 0.19 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.56 3hux s ALA 3 Cb 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3hux s ALA 3 CO 0.01 0.18 0.64 0.15 0.00 0.00 0.00 175.76 176.74 3hux s LYS 4 N -0.82 2.75 0.00 0.00 1.02 -1.26 -2.82 119.74 118.60 3hux s LYS 4 Ca 0.01 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.92 3hux s LYS 4 Cb -0.06 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3hux s LYS 4 CO 0.00 -0.41 0.00 0.00 -0.92 0.00 0.00 175.35 174.03 3hux n ALA 5 N -2.01 0.39 -1.36 5.17 0.00 -0.09 -4.42 120.51 118.18 3hux n ALA 5 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3hux n ALA 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3hux n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hux n ILE 6 N 0.00 -5.69 -3.87 0.00 5.41 -1.20 -4.87 119.36 109.14 3hux n ILE 6 Ca 0.00 1.03 -0.30 0.00 1.00 0.00 0.00 62.75 64.49 3hux n ILE 6 Cb 0.00 -3.86 -0.14 0.00 -0.71 0.00 0.00 39.64 34.93 3hux n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hux s ALA 7 N -0.19 2.86 0.68 -1.39 0.00 -0.66 -4.95 121.76 118.11 3hux s ALA 7 Ca 0.00 -2.98 -0.15 0.00 0.00 0.00 0.00 51.96 48.83 3hux s ALA 7 Cb 0.00 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3hux s ALA 7 CO 0.00 -2.01 1.12 1.03 0.00 0.00 0.00 175.76 175.90 3hux s ARG 8 N 0.02 2.66 -1.07 0.00 1.81 -1.26 -2.75 118.95 118.35 3hux s ARG 8 Ca 0.17 1.43 -0.13 0.00 -1.72 0.00 0.00 55.73 55.48 3hux s ARG 8 Cb -0.25 -1.93 0.12 0.00 -0.45 0.00 0.00 34.95 32.45 3hux s ARG 8 CO -0.01 -1.37 0.35 0.66 -0.68 0.00 0.00 175.30 174.25 3hux n TYR 9 N -2.53 -1.57 0.00 -0.53 4.02 -0.95 -4.86 117.16 110.74 3hux n TYR 9 Ca 0.11 0.39 0.00 0.00 -0.01 0.00 0.00 57.90 58.39 3hux n TYR 9 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 39.34 38.19 3hux n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hux n VAL 10 N -3.43 0.00 0.00 -0.72 0.31 0.50 -4.68 118.33 110.31 3hux n VAL 10 Ca 0.06 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 3hux n VAL 10 Cb 0.48 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3hux n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hux n ARG 11 N -1.87 0.00 -3.59 5.55 0.00 -1.26 -4.87 116.66 110.62 3hux n ARG 11 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 3hux n ARG 11 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3hux n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3hux s ILE 12 N -0.56 0.00 0.17 5.15 2.07 -0.98 -4.94 121.20 122.12 3hux s ILE 12 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 3hux s ILE 12 Cb 0.00 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.50 3hux s ILE 12 CO 0.00 0.00 1.41 -0.55 -1.91 0.00 0.00 174.94 173.89 3hux s SER 13 N -0.80 6.77 0.01 4.50 0.15 -1.25 -3.50 113.70 119.58 3hux s SER 13 Ca -0.01 2.46 -0.02 0.00 0.70 0.00 0.00 55.95 59.07 3hux s SER 13 Cb -0.01 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 3hux s SER 13 CO 0.01 -0.65 1.04 -0.65 1.20 0.00 0.00 173.24 174.18 3hux h PRO 14 N 6.06 -0.05 -1.04 5.44 0.11 -1.88 0.37 132.00 141.01 3hux h PRO 14 Ca -0.44 0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.05 3hux h PRO 14 Cb 1.21 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 3hux h PRO 14 CO 0.83 -0.03 0.65 0.54 -0.21 0.00 0.00 178.00 179.78 3hux n ARG 15 N -2.69 -0.03 -0.00 1.05 1.74 -1.26 0.17 116.66 115.64 3hux n ARG 15 Ca -0.01 1.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.93 3hux n ARG 15 Cb 0.03 -1.99 -0.12 0.00 -1.02 0.00 0.00 32.46 29.36 3hux n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hux h LYS 16 N 0.00 0.26 0.00 5.56 1.57 -1.60 -3.28 116.57 119.07 3hux h LYS 16 Ca 0.70 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 59.01 3hux h LYS 16 Cb 2.17 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 34.57 3hux h LYS 16 CO -0.43 1.07 -0.71 -0.24 -0.57 0.00 0.00 179.45 178.57 3hux h VAL 17 N -0.41 1.28 0.00 0.50 3.04 0.27 -3.12 116.25 117.81 3hux h VAL 17 Ca -0.07 -2.65 -0.01 0.00 -1.01 0.00 0.00 66.70 62.96 3hux h VAL 17 Cb 1.27 2.53 -0.00 0.00 -2.01 0.00 0.00 31.29 33.08 3hux h VAL 17 CO 0.09 0.70 -0.05 -0.09 -1.01 0.00 0.00 177.57 177.21 3hux h ARG 18 N 0.00 0.00 0.34 4.17 2.43 0.17 -2.25 114.38 119.24 3hux h ARG 18 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hux h ARG 18 Cb 1.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 3hux h ARG 18 CO 0.09 0.05 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.37 3hux h LEU 19 N 0.00 -0.39 -0.01 3.80 4.07 -1.60 -2.23 115.31 118.95 3hux h LEU 19 Ca -0.00 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.85 3hux h LEU 19 Cb 0.18 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3hux h LEU 19 CO 0.01 -0.09 -0.22 0.58 -1.08 0.00 0.00 178.44 177.63 3hux h VAL 20 N -0.71 0.00 -0.97 1.22 2.07 -1.56 -2.41 116.25 113.89 3hux h VAL 20 Ca -0.05 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.72 3hux h VAL 20 Cb 0.49 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.08 3hux h VAL 20 CO 0.08 0.00 -0.07 0.52 0.02 0.00 0.00 177.57 178.12 3hux n VAL 21 N -3.73 -0.41 0.27 2.57 0.31 -0.96 0.58 118.33 116.97 3hux n VAL 21 Ca -0.03 2.16 0.01 0.00 -0.01 0.00 0.00 64.34 66.47 3hux n VAL 21 Cb 0.16 -3.10 0.05 0.00 -0.91 0.00 0.00 33.84 30.04 3hux n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hux n ASP 22 N -5.49 0.00 -0.58 4.52 10.43 -0.84 -1.16 116.55 123.42 3hux n ASP 22 Ca 0.20 -0.22 0.07 0.00 2.57 0.00 0.00 54.79 57.41 3hux n ASP 22 Cb 0.66 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.70 3hux n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3hux n LEU 23 N -0.68 2.33 0.00 0.64 7.94 0.20 -4.45 117.00 122.98 3hux n LEU 23 Ca 0.01 -1.23 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 3hux n LEU 23 Cb 0.01 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 43.89 3hux n LEU 23 CO 0.01 0.48 0.01 2.30 -1.11 0.00 0.00 177.39 179.08 3hux n ILE 24 N 0.74 0.00 -1.74 1.96 -5.35 -0.31 -4.99 119.36 109.66 3hux n ILE 24 Ca 0.09 -0.02 -0.42 0.00 -0.27 0.00 0.00 62.75 62.13 3hux n ILE 24 Cb 0.36 1.89 -0.03 0.00 -1.74 0.00 0.00 39.64 40.12 3hux n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hux s ARG 25 N -0.00 3.98 -0.25 6.28 3.52 -1.14 -3.53 118.95 127.81 3hux s ARG 25 Ca 0.00 2.41 -0.09 0.00 -0.13 0.00 0.00 55.73 57.92 3hux s ARG 25 Cb 0.00 -4.16 0.01 0.00 -1.56 0.00 0.00 34.95 29.24 3hux s ARG 25 CO 0.00 -1.12 0.33 0.41 -0.81 0.00 0.00 175.30 174.11 3hux n GLY 26 N 4.66 -1.37 3.63 8.12 0.00 -0.28 -5.01 105.19 114.93 3hux n GLY 26 Ca 0.21 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.82 3hux n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 27 N -1.88 0.46 -0.17 1.61 1.02 -1.23 -4.89 119.74 114.67 3hux s LYS 27 Ca 0.14 0.44 -0.41 0.00 0.02 0.00 0.00 55.97 56.15 3hux s LYS 27 Cb -0.04 0.22 -0.19 0.00 -0.52 0.00 0.00 37.83 37.31 3hux s LYS 27 CO 0.47 -0.08 1.37 -1.13 -0.92 0.00 0.00 175.35 175.06 3hux n SER 28 N 1.82 0.98 -0.33 2.83 3.41 -1.26 -2.77 113.62 118.30 3hux n SER 28 Ca -0.12 1.15 0.27 0.00 -0.26 0.00 0.00 58.87 59.91 3hux n SER 28 Cb 0.56 -0.99 0.58 0.00 -0.26 0.00 0.00 64.21 64.11 3hux n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hux h LEU 29 N 4.46 0.31 -0.79 1.04 5.85 -1.84 0.90 115.31 125.25 3hux h LEU 29 Ca -0.48 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3hux h LEU 29 Cb 1.38 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 3hux h LEU 29 CO 0.81 0.04 0.52 -0.08 -0.34 0.00 0.00 178.44 179.39 3hux h GLU 30 N 0.26 1.04 0.00 1.25 4.81 -1.84 -2.11 114.58 117.99 3hux h GLU 30 Ca 0.60 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 3hux h GLU 30 Cb 1.78 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 3hux h GLU 30 CO -0.23 0.69 -0.71 1.49 -0.73 0.00 0.00 179.01 179.52 3hux h GLU 31 N 1.07 0.00 -0.30 1.92 4.81 0.29 -3.29 114.58 119.08 3hux h GLU 31 Ca 0.29 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3hux h GLU 31 Cb -0.12 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3hux h GLU 31 CO -0.06 0.08 -0.33 0.00 -0.73 0.00 0.00 179.01 177.97 3hux h ALA 32 N 1.88 0.45 -0.47 2.92 0.00 -0.08 -2.58 119.26 121.38 3hux h ALA 32 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3hux h ALA 32 Cb 1.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3hux h ALA 32 CO 0.01 0.50 0.19 0.00 0.00 0.00 0.00 179.25 179.95 3hux h ARG 33 N 0.52 0.36 0.10 0.00 3.08 -1.49 -1.56 114.38 115.39 3hux h ARG 33 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hux h ARG 33 Cb 0.91 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3hux h ARG 33 CO 0.08 0.24 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.16 3hux h ASN 34 N 0.37 -0.43 -0.10 7.04 -0.26 -1.59 -0.73 115.58 119.88 3hux h ASN 34 Ca 0.22 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 56.01 3hux h ASN 34 Cb 0.20 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 3hux h ASN 34 CO -0.21 -0.18 -0.15 0.40 -1.06 0.00 0.00 177.43 176.24 3hux h ILE 35 N -0.26 0.00 -1.32 2.81 2.04 -1.32 0.29 117.51 119.75 3hux h ILE 35 Ca -0.01 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.27 3hux h ILE 35 Cb 0.24 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.20 3hux h ILE 35 CO -0.05 0.00 0.87 -0.07 0.00 0.00 0.00 178.15 178.90 3hux h LEU 36 N -0.11 0.24 -1.29 1.44 3.38 -1.30 0.86 115.31 118.52 3hux h LEU 36 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hux h LEU 36 Cb 0.16 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hux h LEU 36 CO -0.15 -0.13 0.00 -0.09 0.09 0.00 0.00 178.44 178.16 3hux h ARG 37 N 0.11 0.00 0.00 1.13 2.43 0.63 -3.09 114.38 115.59 3hux h ARG 37 Ca 0.79 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.96 3hux h ARG 37 Cb 2.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.06 3hux h ARG 37 CO -0.35 0.00 -0.09 0.66 -1.51 0.00 0.00 179.97 178.67 3hux n TYR 38 N -3.04 0.00 -2.93 2.20 4.01 0.26 -4.97 117.16 112.70 3hux n TYR 38 Ca 0.01 -0.50 -0.44 0.00 -0.16 0.00 0.00 57.90 56.81 3hux n TYR 38 Cb 0.32 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 3hux n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3hux s THR 39 N -1.30 4.75 -0.97 -0.72 2.01 0.81 -4.96 115.64 115.25 3hux s THR 39 Ca 0.11 -1.64 -0.26 0.00 0.31 0.00 0.00 61.69 60.21 3hux s THR 39 Cb 0.10 -4.79 -0.21 0.00 0.01 0.00 0.00 72.50 67.61 3hux s THR 39 CO 0.01 -1.51 2.17 -3.20 -0.69 0.00 0.00 174.62 171.40 3hux n ASN 40 N 6.50 1.33 -3.51 3.53 5.15 -1.26 -4.65 115.26 122.35 3hux n ASN 40 Ca 0.25 -2.16 -0.00 0.00 -0.60 0.00 0.00 54.58 52.07 3hux n ASN 40 Cb 0.49 -1.67 -0.05 0.00 -0.53 0.00 0.00 39.78 38.02 3hux n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hux s LYS 41 N 8.56 0.39 0.29 1.20 -0.14 -1.26 -5.07 119.74 123.71 3hux s LYS 41 Ca 0.83 0.92 -0.04 0.00 -1.36 0.00 0.00 55.97 56.32 3hux s LYS 41 Cb -0.08 0.48 0.58 0.00 -1.68 0.00 0.00 37.83 37.13 3hux s LYS 41 CO 0.16 -0.12 1.53 -2.13 -0.76 0.00 0.00 175.35 174.03 3hux n ARG 42 N 4.87 -0.08 0.27 1.68 0.63 -1.26 -0.06 116.66 122.71 3hux n ARG 42 Ca -0.12 1.50 0.11 0.00 -0.92 0.00 0.00 57.85 58.43 3hux n ARG 42 Cb 0.53 -2.31 0.61 0.00 0.45 0.00 0.00 32.46 31.74 3hux n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3hux h GLY 43 N 0.00 0.00 2.00 5.14 0.00 -1.93 0.13 103.07 108.41 3hux h GLY 43 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3hux h GLY 43 CO -0.97 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.57 3hux h ALA 44 N 1.24 1.00 0.13 3.60 0.00 -0.74 -2.24 119.26 122.25 3hux h ALA 44 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3hux h ALA 44 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hux h ALA 44 CO 0.00 0.00 -1.19 -0.92 0.00 0.00 0.00 179.25 177.14 3hux h TYR 45 N 0.00 0.49 0.00 0.00 3.20 -0.92 -2.40 116.97 117.33 3hux h TYR 45 Ca 0.00 -0.36 -0.09 0.00 3.14 0.00 0.00 58.73 61.42 3hux h TYR 45 Cb 0.26 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3hux h TYR 45 CO 0.00 1.46 -0.45 0.74 -1.64 0.00 0.00 178.16 178.28 3hux h PHE 46 N -0.32 0.00 0.07 -3.82 0.04 -1.63 -2.47 116.94 108.80 3hux h PHE 46 Ca -0.24 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.41 3hux h PHE 46 Cb 1.73 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.89 3hux h PHE 46 CO 0.15 0.45 -0.51 0.28 -0.60 0.00 0.00 178.31 178.08 3hux h VAL 47 N 0.00 1.58 -0.37 -0.55 2.07 -1.54 -2.47 116.25 114.96 3hux h VAL 47 Ca -0.00 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.21 3hux h VAL 47 Cb 0.80 3.12 -0.07 0.00 -1.52 0.00 0.00 31.29 33.62 3hux h VAL 47 CO 0.06 0.65 -0.45 0.00 0.02 0.00 0.00 177.57 177.85 3hux h ALA 48 N 0.12 -0.67 -0.99 1.67 0.00 -1.38 0.42 119.26 118.42 3hux h ALA 48 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hux h ALA 48 Cb 1.36 1.07 0.00 0.00 0.00 0.00 0.00 17.79 20.22 3hux h ALA 48 CO 0.10 -0.90 0.00 1.63 0.00 0.00 0.00 179.25 180.08 3hux n LYS 49 N -4.85 0.00 -0.29 0.00 4.76 -0.94 0.31 118.16 117.16 3hux n LYS 49 Ca -0.02 0.82 0.12 0.00 -2.87 0.00 0.00 58.31 56.35 3hux n LYS 49 Cb 0.27 -1.33 0.28 0.00 -1.84 0.00 0.00 35.03 32.40 3hux n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3hux h VAL 50 N 0.00 0.44 0.33 -0.18 3.04 -1.08 -0.25 116.25 118.55 3hux h VAL 50 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 3hux h VAL 50 Cb 0.00 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.35 3hux h VAL 50 CO 0.00 0.06 -0.35 0.25 -1.01 0.00 0.00 177.57 176.51 3hux h LEU 51 N 0.32 -0.98 -1.40 3.16 7.12 0.14 -1.13 115.31 122.55 3hux h LEU 51 Ca 0.53 0.08 0.23 0.00 0.13 0.00 0.00 57.88 58.85 3hux h LEU 51 Cb 1.00 0.33 -0.08 0.00 -0.53 0.00 0.00 40.66 41.37 3hux h LEU 51 CO -0.56 -0.46 0.64 -0.08 -0.13 0.00 0.00 178.44 177.85 3hux h GLU 52 N -0.69 0.42 -0.33 1.25 4.57 0.94 0.02 114.58 120.76 3hux h GLU 52 Ca -0.04 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.96 3hux h GLU 52 Cb 0.60 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3hux h GLU 52 CO -0.05 0.28 -0.40 1.03 -1.18 0.00 0.00 179.01 178.69 3hux h SER 53 N 0.43 0.86 -0.12 1.04 0.87 -0.56 -1.88 113.55 114.19 3hux h SER 53 Ca 0.54 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3hux h SER 53 Cb 1.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3hux h SER 53 CO -0.25 1.15 -0.06 0.00 -0.53 0.00 0.00 176.83 177.14 3hux h ALA 54 N 0.89 1.43 0.01 6.23 0.00 0.25 0.21 119.26 128.27 3hux h ALA 54 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hux h ALA 54 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hux h ALA 54 CO 0.09 0.40 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 3hux h ALA 55 N 1.57 -0.15 0.21 0.00 0.00 -0.81 0.14 119.26 120.21 3hux h ALA 55 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hux h ALA 55 Cb 0.35 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hux h ALA 55 CO 0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 179.25 178.50 3hux h ALA 56 N 0.74 -0.96 -1.30 0.00 0.00 -0.53 -0.83 119.26 116.39 3hux h ALA 56 Ca 0.04 -0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.29 3hux h ALA 56 Cb 0.26 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 3hux h ALA 56 CO -0.11 -0.95 0.85 -0.91 0.00 0.00 0.00 179.25 178.12 3hux h ASN 57 N -0.34 0.25 0.15 0.00 -0.26 -0.94 0.24 115.58 114.68 3hux h ASN 57 Ca -0.03 0.11 -0.21 0.00 -0.56 0.00 0.00 56.30 55.61 3hux h ASN 57 Cb 0.28 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3hux h ASN 57 CO 0.01 -0.11 -0.82 0.00 -1.06 0.00 0.00 177.43 175.45 3hux h ALA 58 N 1.56 0.42 0.02 -0.83 0.00 -0.31 -2.86 119.26 117.25 3hux h ALA 58 Ca 0.77 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 3hux h ALA 58 Cb 2.42 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 20.20 3hux h ALA 58 CO -0.35 0.75 -0.98 0.28 0.00 0.00 0.00 179.25 178.96 3hux h VAL 59 N 0.34 1.31 0.00 0.00 2.07 0.94 -2.94 116.25 117.98 3hux h VAL 59 Ca -0.06 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3hux h VAL 59 Cb 1.43 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3hux h VAL 59 CO 0.15 0.68 -0.05 0.78 0.02 0.00 0.00 177.57 179.15 3hux h ASN 60 N 0.27 0.00 -0.09 0.57 -0.26 -1.59 -3.20 115.58 111.28 3hux h ASN 60 Ca -0.13 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.64 3hux h ASN 60 Cb 1.65 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.90 3hux h ASN 60 CO 0.19 0.12 0.22 0.78 -1.06 0.00 0.00 177.43 177.69 3hux h ASN 61 N -0.19 0.00 0.00 5.81 -0.26 -1.72 -2.90 115.58 116.32 3hux h ASN 61 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 3hux h ASN 61 Cb 0.05 0.00 -0.35 0.00 -1.06 0.00 0.00 38.32 36.96 3hux h ASN 61 CO 0.00 0.00 -0.97 1.41 -1.06 0.00 0.00 177.43 176.81 3hux n HIS 62 N -3.28 0.00 -0.14 1.19 8.25 -1.20 -5.02 115.22 115.02 3hux n HIS 62 Ca -0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 3hux n HIS 62 Cb 0.31 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hux n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3hux n ASP 63 N 0.45 0.00 0.00 0.41 5.75 -1.10 -4.88 116.55 117.18 3hux n ASP 63 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 3hux n ASP 63 Cb 1.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.19 3hux n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3hux n MET 64 N 0.72 -0.11 -2.41 0.11 2.81 -1.11 -5.00 117.12 112.13 3hux n MET 64 Ca 0.00 -0.48 -0.05 0.00 -1.81 0.00 0.00 57.70 55.36 3hux n MET 64 Cb 0.00 -0.81 -0.04 0.00 -0.71 0.00 0.00 33.22 31.66 3hux n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hux n LEU 65 N -0.07 -5.51 -0.18 4.03 0.00 -1.26 -4.62 117.00 109.38 3hux n LEU 65 Ca 0.00 1.92 -0.03 0.00 0.00 0.00 0.00 56.01 57.91 3hux n LEU 65 Cb 0.14 -2.92 0.04 0.00 0.00 0.00 0.00 43.42 40.68 3hux n LEU 65 CO 0.00 -3.38 0.72 -0.08 0.00 0.00 0.00 177.39 174.65 3hux h GLU 66 N 3.39 -0.05 0.00 1.96 4.81 -1.96 -1.37 114.58 121.36 3hux h GLU 66 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hux h GLU 66 Cb 1.05 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3hux h GLU 66 CO 0.01 -0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.01 3hux n ASP 67 N -5.41 0.00 -0.12 1.04 8.00 -1.26 -0.94 116.55 117.86 3hux n ASP 67 Ca 0.06 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.60 3hux n ASP 67 Cb 0.32 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.48 3hux n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hux n ARG 68 N -0.58 1.35 -3.41 -1.24 5.12 -0.52 -4.97 116.66 112.41 3hux n ARG 68 Ca 0.00 -1.81 -0.26 0.00 -1.93 0.00 0.00 57.85 53.84 3hux n ARG 68 Cb 0.00 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 3hux n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hux s LEU 69 N -1.60 4.06 0.06 0.55 1.43 -0.11 -1.06 118.68 122.02 3hux s LEU 69 Ca 0.15 0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.52 3hux s LEU 69 Cb 0.13 -3.36 0.09 0.00 0.03 0.00 0.00 46.19 43.08 3hux s LEU 69 CO 0.01 -0.22 0.76 -0.72 0.23 0.00 0.00 176.35 176.42 3hux s TYR 70 N -2.16 -0.44 -1.02 0.29 -0.00 -1.18 -2.73 117.35 110.11 3hux s TYR 70 Ca 0.41 0.29 -0.23 0.00 -0.00 0.00 0.00 57.07 57.54 3hux s TYR 70 Cb -0.10 0.54 0.05 0.00 -0.00 0.00 0.00 41.96 42.45 3hux s TYR 70 CO 0.33 -0.67 1.46 0.08 -0.00 0.00 0.00 175.55 176.75 3hux s VAL 71 N -3.30 3.91 0.22 -3.49 1.01 -1.12 -1.63 120.40 116.01 3hux s VAL 71 Ca 0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3hux s VAL 71 Cb -0.01 -5.03 0.18 0.00 0.00 0.00 0.00 36.38 31.52 3hux s VAL 71 CO -0.10 -1.91 1.85 0.50 0.00 0.00 0.00 175.10 175.43 3hux h LYS 72 N 9.83 0.88 -3.63 2.72 3.64 -1.36 -0.74 116.57 127.91 3hux h LYS 72 Ca 0.20 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3hux h LYS 72 Cb 1.01 -0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.51 3hux h LYS 72 CO 1.42 0.58 -0.18 0.00 -2.27 0.00 0.00 179.45 179.01 3hux s ALA 73 N -6.09 -0.43 -0.30 5.00 0.00 -0.72 -4.70 121.76 114.51 3hux s ALA 73 Ca -0.13 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3hux s ALA 73 Cb 0.17 0.81 0.21 0.00 0.00 0.00 0.00 23.12 24.31 3hux s ALA 73 CO 0.78 -0.69 1.28 0.00 0.00 0.00 0.00 175.76 177.13 3hux s ALA 74 N -3.91 -2.71 -0.18 0.00 0.00 -1.26 -1.30 121.76 112.40 3hux s ALA 74 Ca 0.12 1.96 -0.28 0.00 0.00 0.00 0.00 51.96 53.76 3hux s ALA 74 Cb 0.02 -2.01 0.10 0.00 0.00 0.00 0.00 23.12 21.22 3hux s ALA 74 CO -0.03 -0.33 0.84 1.52 0.00 0.00 0.00 175.76 177.76 3hux s TYR 75 N 1.05 -0.58 -0.12 0.00 1.13 -1.10 -4.95 117.35 112.79 3hux s TYR 75 Ca -0.08 1.19 -0.01 0.00 -1.41 0.00 0.00 57.07 56.76 3hux s TYR 75 Cb -0.02 0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3hux s TYR 75 CO -0.10 -0.41 -0.07 0.54 -2.51 0.00 0.00 175.55 173.01 3hux s VAL 76 N -0.52 3.67 0.11 -3.49 0.11 -1.26 -2.32 120.40 116.70 3hux s VAL 76 Ca -0.03 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 3hux s VAL 76 Cb -0.02 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 3hux s VAL 76 CO 0.03 0.54 0.11 -1.81 -3.33 0.00 0.00 175.10 170.63 3hux s ASP 77 N -0.06 5.56 -0.15 3.54 1.01 -0.63 -4.90 116.67 121.04 3hux s ASP 77 Ca 0.00 -0.04 -0.24 0.00 0.71 0.00 0.00 52.55 52.98 3hux s ASP 77 Cb -0.13 -1.49 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 3hux s ASP 77 CO 0.03 0.13 0.78 -0.70 0.21 0.00 0.00 175.17 175.62 3hux s GLU 78 N -2.66 4.32 0.08 8.23 2.12 -1.26 -0.97 118.70 128.56 3hux s GLU 78 Ca 0.30 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.57 3hux s GLU 78 Cb -0.11 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.75 3hux s GLU 78 CO 0.23 -0.23 0.11 0.41 -0.54 0.00 0.00 175.26 175.24 3hux n GLY 79 N 3.42 0.12 3.61 -1.50 0.00 0.49 -4.91 105.19 106.44 3hux n GLY 79 Ca 0.02 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3hux n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hux s PRO 80 N -2.87 3.54 0.68 1.61 0.04 -1.26 -4.41 135.00 132.32 3hux s PRO 80 Ca 0.07 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 3hux s PRO 80 Cb -0.00 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.41 3hux s PRO 80 CO 0.05 -1.61 1.12 0.00 0.04 0.00 0.00 177.00 176.60 3hux s ALA 81 N 6.16 2.40 -0.40 8.56 0.00 -1.26 -4.43 121.76 132.78 3hux s ALA 81 Ca 0.77 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.18 3hux s ALA 81 Cb -0.24 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3hux s ALA 81 CO 0.32 -1.40 0.28 -0.51 0.00 0.00 0.00 175.76 174.46 3hux s LEU 82 N -4.96 5.04 -0.12 0.00 1.43 0.14 -4.97 118.68 115.24 3hux s LEU 82 Ca 0.68 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3hux s LEU 82 Cb -0.22 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3hux s LEU 82 CO 0.43 -0.44 1.08 -0.54 0.23 0.00 0.00 176.35 177.10 3hux s LYS 83 N 1.65 4.36 0.04 1.70 1.02 -1.26 -1.87 119.74 125.38 3hux s LYS 83 Ca 0.04 1.47 0.08 0.00 0.02 0.00 0.00 55.97 57.58 3hux s LYS 83 Cb -0.19 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 3hux s LYS 83 CO 0.09 -0.44 -0.22 1.03 -0.92 0.00 0.00 175.35 174.90 3hux s ARG 84 N 2.41 1.46 -0.16 1.68 1.81 -0.41 -4.99 118.95 120.76 3hux s ARG 84 Ca 0.50 -0.96 -0.21 0.00 -1.72 0.00 0.00 55.73 53.34 3hux s ARG 84 Cb -0.19 -1.58 -0.03 0.00 -0.45 0.00 0.00 34.95 32.70 3hux s ARG 84 CO 0.16 0.40 0.61 0.08 -0.68 0.00 0.00 175.30 175.88 3hux s VAL 85 N -0.79 5.06 -0.25 3.52 1.01 -1.26 0.11 120.40 127.80 3hux s VAL 85 Ca 0.08 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 3hux s VAL 85 Cb -0.09 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3hux s VAL 85 CO 0.02 0.18 -0.06 -0.22 0.00 0.00 0.00 175.10 175.01 3hux s LEU 86 N 1.44 3.16 0.21 3.92 2.96 0.18 -4.84 118.68 125.71 3hux s LEU 86 Ca 0.30 -0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 3hux s LEU 86 Cb -0.16 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.79 3hux s LEU 86 CO 0.12 -0.12 1.14 -2.16 -1.32 0.00 0.00 176.35 174.01 3hux s PRO 87 N 1.33 4.56 0.51 0.98 0.04 -1.26 0.12 135.00 141.27 3hux s PRO 87 Ca 0.00 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3hux s PRO 87 Cb -0.16 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3hux s PRO 87 CO -0.05 0.05 0.05 1.03 0.04 0.00 0.00 177.00 178.12 3hux s ARG 88 N -0.67 2.19 0.55 4.56 1.81 -1.26 -4.72 118.95 121.41 3hux s ARG 88 Ca 0.49 -2.33 -0.20 0.00 -1.72 0.00 0.00 55.73 51.98 3hux s ARG 88 Cb -0.32 -1.61 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 3hux s ARG 88 CO 0.38 -0.36 1.17 0.00 -0.68 0.00 0.00 175.30 175.80 3hux s ALA 89 N -2.85 2.68 -0.76 2.13 0.00 -1.26 -3.13 121.76 118.57 3hux s ALA 89 Ca 0.12 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3hux s ALA 89 Cb 0.02 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3hux s ALA 89 CO 0.06 -0.90 0.65 0.54 0.00 0.00 0.00 175.76 176.11 3hux n ARG 90 N -1.29 -4.31 -1.62 0.00 5.12 -1.26 -2.94 116.66 110.36 3hux n ARG 90 Ca 0.12 0.51 -0.12 0.00 -1.93 0.00 0.00 57.85 56.43 3hux n ARG 90 Cb 0.50 -4.54 -0.04 0.00 -1.16 0.00 0.00 32.46 27.22 3hux n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hux n GLY 91 N -1.20 0.71 0.00 -0.13 0.00 -1.25 -4.89 105.19 98.43 3hux n GLY 91 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hux n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hux n ARG 92 N -2.03 0.00 -1.42 1.61 0.63 -1.15 -4.94 116.66 109.36 3hux n ARG 92 Ca -0.12 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3hux n ARG 92 Cb 0.44 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.34 3hux n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hux n ALA 93 N -1.32 -2.46 -3.94 5.13 0.00 -1.25 -4.73 120.51 111.94 3hux n ALA 93 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 3hux n ALA 93 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3hux n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hux n ASP 94 N 1.07 2.00 -3.94 0.00 10.43 0.31 -4.80 116.55 121.62 3hux n ASP 94 Ca 0.00 -1.61 -0.30 0.00 2.57 0.00 0.00 54.79 55.44 3hux n ASP 94 Cb 0.00 0.05 -0.16 0.00 1.84 0.00 0.00 41.12 42.86 3hux n ASP 94 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3hux s ILE 95 N -1.20 1.55 0.56 0.53 -5.25 -1.26 0.51 121.20 116.63 3hux s ILE 95 Ca 0.04 -1.24 -0.19 0.00 -0.99 0.00 0.00 60.65 58.27 3hux s ILE 95 Cb -0.00 -1.82 -0.05 0.00 2.95 0.00 0.00 42.46 43.54 3hux s ILE 95 CO 0.03 -0.11 1.14 -0.63 -1.79 0.00 0.00 174.94 173.58 3hux s ILE 96 N 1.38 3.10 -0.67 8.37 1.09 0.29 -4.82 121.20 129.94 3hux s ILE 96 Ca -0.06 0.67 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 3hux s ILE 96 Cb -0.19 -3.26 0.17 0.00 -1.06 0.00 0.00 42.46 38.11 3hux s ILE 96 CO -0.06 -0.16 0.47 -0.54 -0.10 0.00 0.00 174.94 174.55 3hux s LYS 97 N -3.33 2.49 -0.31 2.79 -0.14 -1.26 -1.29 119.74 118.68 3hux s LYS 97 Ca 0.73 -3.00 -0.28 0.00 -1.36 0.00 0.00 55.97 52.06 3hux s LYS 97 Cb -0.25 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 3hux s LYS 97 CO 0.28 -1.21 2.06 0.15 -0.76 0.00 0.00 175.35 175.87 3hux s LYS 98 N -0.88 3.06 0.19 1.68 -0.14 -0.78 -4.84 119.74 118.04 3hux s LYS 98 Ca 0.22 1.65 -0.11 0.00 -1.36 0.00 0.00 55.97 56.37 3hux s LYS 98 Cb -0.14 -4.33 -0.07 0.00 -1.68 0.00 0.00 37.83 31.61 3hux s LYS 98 CO -0.09 -2.18 0.54 1.03 -0.76 0.00 0.00 175.35 173.89 3hux s ARG 99 N 6.34 3.84 0.14 1.68 0.52 -1.26 0.25 118.95 130.46 3hux s ARG 99 Ca 0.91 0.32 0.09 0.00 -0.52 0.00 0.00 55.73 56.52 3hux s ARG 99 Cb -0.26 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 3hux s ARG 99 CO 0.33 0.38 -0.14 -0.08 0.02 0.00 0.00 175.30 175.81 3hux s THR 100 N -1.69 3.05 0.28 0.02 -1.32 -1.26 -2.32 115.64 112.40 3hux s THR 100 Ca 0.44 -1.55 0.08 0.00 -1.21 0.00 0.00 61.69 59.44 3hux s THR 100 Cb -0.12 -2.45 -0.06 0.00 -1.51 0.00 0.00 72.50 68.36 3hux s THR 100 CO 0.20 0.01 -0.10 -0.44 -2.21 0.00 0.00 174.62 172.08 3hux s SER 101 N -2.46 3.03 -0.35 8.08 0.01 -1.23 -0.38 113.70 120.41 3hux s SER 101 Ca 0.21 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.34 3hux s SER 101 Cb -0.10 -0.21 0.11 0.00 0.21 0.00 0.00 66.02 66.03 3hux s SER 101 CO 0.13 -0.23 0.13 -1.00 0.41 0.00 0.00 173.24 172.68 3hux s HIS 102 N -2.86 1.97 -0.63 2.43 3.76 -0.14 -0.37 115.29 119.45 3hux s HIS 102 Ca 0.29 -2.05 -0.21 0.00 -0.15 0.00 0.00 55.06 52.94 3hux s HIS 102 Cb 0.01 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.92 3hux s HIS 102 CO 0.12 -0.86 0.85 0.42 -0.85 0.00 0.00 174.74 174.42 3hux s ILE 103 N 1.20 4.56 0.24 0.60 1.01 -1.11 -1.61 121.20 126.08 3hux s ILE 103 Ca 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 3hux s ILE 103 Cb -0.19 -4.60 -0.08 0.00 0.01 0.00 0.00 42.46 37.60 3hux s ILE 103 CO -0.16 -1.31 0.61 -0.89 0.00 0.00 0.00 174.94 173.18 3hux s THR 104 N 3.42 4.83 -0.18 2.92 2.01 -0.98 -1.65 115.64 126.01 3hux s THR 104 Ca 0.17 0.70 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 3hux s THR 104 Cb -0.20 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.71 3hux s THR 104 CO 0.08 -0.02 0.46 -0.69 -0.69 0.00 0.00 174.62 173.76 3hux s VAL 105 N -1.78 -0.01 -0.13 3.82 1.01 -1.26 -2.70 120.40 119.36 3hux s VAL 105 Ca 0.47 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3hux s VAL 105 Cb -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3hux s VAL 105 CO 0.20 0.01 0.28 0.27 0.00 0.00 0.00 175.10 175.86 3hux s ILE 106 N 0.58 -0.32 0.65 2.22 -4.36 -0.42 -0.92 121.20 118.63 3hux s ILE 106 Ca -0.03 0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.61 3hux s ILE 106 Cb -0.05 -0.45 0.10 0.00 1.25 0.00 0.00 42.46 43.31 3hux s ILE 106 CO -0.03 0.10 0.90 -0.76 0.24 0.00 0.00 174.94 175.38 3hux s LEU 107 N 2.08 3.08 0.00 0.37 2.01 -1.13 -1.09 118.68 124.01 3hux s LEU 107 Ca -0.02 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 53.73 3hux s LEU 107 Cb -0.11 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 43.97 3hux s LEU 107 CO -0.09 -1.58 0.00 0.61 1.01 0.00 0.00 176.35 176.30 3hux n GLY 108 N -2.59 3.55 3.90 -3.19 0.00 -0.64 -2.82 105.19 103.40 3hux n GLY 108 Ca 0.13 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 3hux n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hux s GLU 109 N -0.24 3.07 0.00 1.61 0.41 -1.25 -3.08 118.70 119.22 3hux s GLU 109 Ca 0.00 -1.01 -0.25 0.00 -0.41 0.00 0.00 54.97 53.30 3hux s GLU 109 Cb 0.00 -2.69 -0.19 0.00 -1.78 0.00 0.00 34.13 29.48 3hux s GLU 109 CO 0.00 0.29 1.34 -0.22 -0.49 0.00 0.00 175.26 176.18 3hux h LYS 110 N 1.25 -0.07 0.00 1.61 1.63 -1.44 -3.47 116.57 116.08 3hux h LYS 110 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3hux h LYS 110 Cb 1.24 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3hux h LYS 110 CO 0.59 0.30 0.00 -2.39 -3.45 0.00 0.00 179.45 174.50 3hux n HIS 111 N -4.95 0.00 0.00 1.91 1.44 -1.26 -5.01 115.22 107.35 3hux n HIS 111 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 3hux n HIS 111 Cb 0.21 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.32 3hux n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hux n GLY 112 N 0.00 0.00 0.27 -1.39 0.00 -1.26 -5.22 105.19 97.60 3hux n GLY 112 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3hux n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90