#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n LEU 3 N 0.00 0.00 -3.58 2.45 7.94 -1.26 -4.79 117.00 117.76 3hux n LEU 3 Ca 0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 3hux n LEU 3 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3hux n LEU 3 CO 0.00 0.00 0.35 1.51 -1.11 0.00 0.00 177.39 178.14 3hux s ASP 4 N -0.38 -0.57 0.27 1.96 -4.77 -1.26 -5.03 116.67 106.89 3hux s ASP 4 Ca 0.00 0.66 -0.12 0.00 -3.30 0.00 0.00 52.55 49.79 3hux s ASP 4 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 3hux s ASP 4 CO 0.00 -0.54 0.52 0.68 0.70 0.00 0.00 175.17 176.53 3hux s VAL 5 N -1.05 0.00 0.18 2.11 -7.23 -1.26 -5.02 120.40 108.12 3hux s VAL 5 Ca -0.10 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.56 3hux s VAL 5 Cb -0.01 -2.30 0.09 0.00 0.56 0.00 0.00 36.38 34.72 3hux s VAL 5 CO 0.08 0.00 1.71 0.00 -0.31 0.00 0.00 175.10 176.58 3hux h ALA 6 N 2.20 0.49 -0.10 1.32 0.00 -2.01 -2.46 119.26 118.70 3hux h ALA 6 Ca -0.26 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3hux h ALA 6 Cb 1.25 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.19 3hux h ALA 6 CO 0.35 -0.33 -0.50 1.25 0.00 0.00 0.00 179.25 180.02 3hux h LEU 7 N 0.20 0.61 -0.49 0.00 6.46 -1.97 -2.94 115.31 117.19 3hux h LEU 7 Ca 0.23 -0.65 0.10 0.00 -0.12 0.00 0.00 57.88 57.44 3hux h LEU 7 Cb 0.30 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 3hux h LEU 7 CO -0.31 1.16 -0.23 0.50 -0.62 0.00 0.00 178.44 178.93 3hux h LYS 8 N 0.11 -0.12 0.46 1.25 3.64 -1.87 -0.02 116.57 120.01 3hux h LYS 8 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3hux h LYS 8 Cb 1.15 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3hux h LYS 8 CO 0.10 -0.08 -0.50 0.00 -2.27 0.00 0.00 179.45 176.70 3hux h ARG 9 N -0.12 -0.94 -0.98 1.90 3.08 -1.49 -1.97 114.38 113.85 3hux h ARG 9 Ca 0.23 0.06 0.32 0.00 0.07 0.00 0.00 59.98 60.65 3hux h ARG 9 Cb 0.48 0.21 -0.18 0.00 0.08 0.00 0.00 29.97 30.56 3hux h ARG 9 CO -0.56 -0.62 0.22 -0.22 -1.07 0.00 0.00 179.97 177.71 3hux h LYS 10 N -0.97 0.03 0.86 0.04 3.64 -1.09 0.38 116.57 119.46 3hux h LYS 10 Ca -0.06 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3hux h LYS 10 Cb 0.85 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hux h LYS 10 CO -0.09 0.02 -0.47 -0.92 -2.27 0.00 0.00 179.45 175.72 3hux h TYR 11 N 0.03 -1.23 -0.66 1.91 3.20 -0.33 0.66 116.97 120.56 3hux h TYR 11 Ca 0.68 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.57 3hux h TYR 11 Cb 1.55 0.42 -0.05 0.00 1.54 0.00 0.00 36.73 40.19 3hux h TYR 11 CO -0.32 -0.73 0.38 1.88 -1.64 0.00 0.00 178.16 177.74 3hux h TYR 12 N -1.23 0.71 -0.31 -3.82 0.99 0.22 0.70 116.97 114.24 3hux h TYR 12 Ca -0.12 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.59 3hux h TYR 12 Cb 0.96 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 38.44 3hux h TYR 12 CO -0.06 0.37 0.01 -0.85 -0.00 0.00 0.00 178.16 177.63 3hux n GLU 13 N -4.75 2.75 0.00 4.88 0.28 0.30 -4.21 120.64 119.88 3hux n GLU 13 Ca 0.08 -2.92 0.00 0.00 -0.16 0.00 0.00 57.16 54.15 3hux n GLU 13 Cb 0.14 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.14 3hux n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3hux n GLU 14 N -0.62 1.43 -0.12 3.44 2.13 0.18 -4.90 120.64 122.18 3hux n GLU 14 Ca 0.25 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.83 3hux n GLU 14 Cb 0.96 -0.28 -0.08 0.00 0.27 0.00 0.00 31.44 32.30 3hux n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hux n VAL 15 N -0.29 1.46 -0.38 6.31 0.31 -0.72 -4.22 118.33 120.79 3hux n VAL 15 Ca 0.00 -0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.05 3hux n VAL 15 Cb 0.00 -1.95 0.04 0.00 -0.91 0.00 0.00 33.84 31.02 3hux n VAL 15 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hux n ARG 16 N -4.23 -0.24 0.21 5.55 5.12 0.16 -1.49 116.66 121.74 3hux n ARG 16 Ca -0.44 1.52 -0.16 0.00 -1.93 0.00 0.00 57.85 56.83 3hux n ARG 16 Cb 0.79 -2.25 -0.09 0.00 -1.16 0.00 0.00 32.46 29.75 3hux n ARG 16 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hux h PRO 17 N 0.00 -0.82 0.00 5.56 0.13 -1.79 -3.14 132.00 131.93 3hux h PRO 17 Ca 0.34 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 3hux h PRO 17 Cb 0.58 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hux h PRO 17 CO -0.98 -0.55 0.00 -1.91 -0.23 0.00 0.00 178.00 174.33 3hux n GLU 18 N -5.27 0.00 -0.28 0.86 4.07 -0.56 -1.34 120.64 118.13 3hux n GLU 18 Ca -0.10 0.81 0.01 0.00 -0.06 0.00 0.00 57.16 57.82 3hux n GLU 18 Cb 0.41 -1.45 0.06 0.00 -0.06 0.00 0.00 31.44 30.41 3hux n GLU 18 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hux n LEU 19 N -2.52 -0.39 0.17 4.31 4.77 -0.96 0.25 117.00 122.63 3hux n LEU 19 Ca 0.00 1.29 -0.10 0.00 -0.03 0.00 0.00 56.01 57.17 3hux n LEU 19 Cb 0.00 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 3hux n LEU 19 CO 0.00 -1.19 0.51 0.40 -1.33 0.00 0.00 177.39 175.78 3hux h ILE 20 N 0.00 0.00 -0.94 -0.08 2.04 -1.38 1.05 117.51 118.20 3hux h ILE 20 Ca 0.30 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.42 3hux h ILE 20 Cb 0.49 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3hux h ILE 20 CO -0.75 0.00 0.66 -0.09 0.00 0.00 0.00 178.15 177.97 3hux h ARG 21 N -0.57 0.12 0.26 2.37 1.12 0.11 2.01 114.38 119.80 3hux h ARG 21 Ca -0.04 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 3hux h ARG 21 Cb 0.49 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 3hux h ARG 21 CO -0.03 0.08 -0.12 -0.09 -3.11 0.00 0.00 179.97 176.69 3hux h ARG 22 N 0.12 -0.34 0.00 0.20 2.43 0.54 -3.38 114.38 113.95 3hux h ARG 22 Ca 0.46 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3hux h ARG 22 Cb 1.64 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3hux h ARG 22 CO -0.07 -0.22 -1.21 1.19 -1.51 0.00 0.00 179.97 178.15 3hux n PHE 23 N -4.59 0.06 -2.17 2.20 3.01 0.34 -5.02 117.46 111.29 3hux n PHE 23 Ca -0.04 0.02 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 3hux n PHE 23 Cb 0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 3hux n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hux n GLY 24 N 1.41 -0.85 3.90 1.37 0.00 0.68 -5.03 105.19 106.66 3hux n GLY 24 Ca 0.02 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 3hux n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hux s TYR 25 N -2.37 3.51 0.00 1.61 2.02 -1.23 -5.04 117.35 115.85 3hux s TYR 25 Ca 0.06 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 3hux s TYR 25 Cb -0.02 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 3hux s TYR 25 CO 0.35 -0.12 0.00 1.04 -1.57 0.00 0.00 175.55 175.24 3hux n GLN 26 N -1.69 0.00 -2.17 -0.62 1.13 -1.26 -4.99 117.38 107.78 3hux n GLN 26 Ca 0.00 0.03 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 3hux n GLN 26 Cb 0.55 -0.27 -0.01 0.00 0.11 0.00 0.00 30.24 30.61 3hux n GLN 26 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3hux s ASN 27 N -2.08 6.44 0.01 1.08 3.84 -1.26 -4.96 114.94 118.01 3hux s ASN 27 Ca 0.00 2.51 -0.02 0.00 0.21 0.00 0.00 52.86 55.56 3hux s ASN 27 Cb 0.00 -2.63 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 3hux s ASN 27 CO 0.00 -0.75 1.04 0.58 -2.79 0.00 0.00 177.10 175.18 3hux h VAL 28 N 2.44 0.00 0.00 -5.21 2.07 -2.00 -3.11 116.25 110.44 3hux h VAL 28 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hux h VAL 28 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hux h VAL 28 CO 0.63 0.00 0.00 0.79 0.02 0.00 0.00 177.57 179.01 3hux n TRP 29 N -2.92 0.00 0.00 1.57 7.02 -1.26 -2.87 117.44 118.98 3hux n TRP 29 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3hux n TRP 29 Cb 0.03 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 3hux n TRP 29 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3hux n GLU 30 N -2.75 0.00 -3.04 -0.99 2.13 -1.18 -4.45 120.64 110.37 3hux n GLU 30 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 3hux n GLU 30 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3hux n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hux s VAL 31 N -1.58 4.65 -0.07 6.31 0.11 -1.14 -4.98 120.40 123.70 3hux s VAL 31 Ca 0.00 1.57 -0.31 0.00 -2.93 0.00 0.00 61.98 60.31 3hux s VAL 31 Cb 0.00 -4.08 -0.15 0.00 -1.53 0.00 0.00 36.38 30.62 3hux s VAL 31 CO 0.00 0.43 0.88 -2.65 -3.33 0.00 0.00 175.10 170.43 3hux n PRO 32 N 2.35 0.00 -4.38 1.54 -0.02 -1.26 -4.99 135.00 128.23 3hux n PRO 32 Ca -0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.19 3hux n PRO 32 Cb 0.50 -1.12 -0.07 0.00 -0.02 0.00 0.00 33.50 32.78 3hux n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hux n ARG 33 N 1.48 0.55 -4.56 -0.52 3.00 -1.26 -4.99 116.66 110.35 3hux n ARG 33 Ca 0.17 -3.45 -0.33 0.00 -0.01 0.00 0.00 57.85 54.23 3hux n ARG 33 Cb 0.04 2.04 -0.13 0.00 0.00 0.00 0.00 32.46 34.41 3hux n ARG 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3hux s LEU 34 N 0.00 3.04 -0.17 0.55 1.43 -1.26 -3.59 118.68 118.68 3hux s LEU 34 Ca 0.24 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 3hux s LEU 34 Cb 0.01 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 3hux s LEU 34 CO 0.17 0.18 -0.11 -0.62 0.23 0.00 0.00 176.35 176.20 3hux n GLU 35 N 3.46 0.49 -3.56 1.70 1.02 -1.02 -4.96 120.64 117.77 3hux n GLU 35 Ca -0.18 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 3hux n GLU 35 Cb 0.53 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 3hux n GLU 35 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3hux s LYS 36 N -2.34 0.64 -0.13 3.49 -2.85 -1.22 -4.63 119.74 112.71 3hux s LYS 36 Ca -0.20 0.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.84 3hux s LYS 36 Cb 0.04 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 3hux s LYS 36 CO 0.34 -0.22 -0.10 0.08 0.10 0.00 0.00 175.35 175.55 3hux s VAL 37 N -1.45 1.24 0.07 1.79 1.01 -0.58 0.63 120.40 123.10 3hux s VAL 37 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3hux s VAL 37 Cb -0.01 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 3hux s VAL 37 CO 0.00 0.40 0.26 -0.69 0.00 0.00 0.00 175.10 175.07 3hux s VAL 38 N 1.62 5.32 -0.21 2.92 1.01 0.27 -2.26 120.40 129.08 3hux s VAL 38 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3hux s VAL 38 Cb -0.13 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.73 3hux s VAL 38 CO -0.09 0.17 0.17 -0.51 0.00 0.00 0.00 175.10 174.84 3hux s ILE 39 N -1.50 -0.22 0.44 2.22 1.10 -1.07 0.62 121.20 122.79 3hux s ILE 39 Ca 0.35 -0.24 0.05 0.00 -0.51 0.00 0.00 60.65 60.30 3hux s ILE 39 Cb -0.13 -0.70 -0.06 0.00 0.15 0.00 0.00 42.46 41.72 3hux s ILE 39 CO 0.24 -0.32 0.02 0.54 -2.11 0.00 0.00 174.94 173.31 3hux s ASN 40 N 2.24 3.98 -0.08 4.50 4.22 -0.84 -2.34 114.94 126.61 3hux s ASN 40 Ca 0.06 -1.44 -0.04 0.00 -2.14 0.00 0.00 52.86 49.29 3hux s ASN 40 Cb -0.16 -0.12 0.03 0.00 1.28 0.00 0.00 41.25 42.28 3hux s ASN 40 CO -0.16 -0.58 0.18 -1.10 -2.04 0.00 0.00 177.10 173.41 3hux s GLN 41 N -3.77 0.15 0.02 3.55 -0.21 0.85 -1.68 119.66 118.57 3hux s GLN 41 Ca 0.26 0.38 -0.17 0.00 0.02 0.00 0.00 55.36 55.85 3hux s GLN 41 Cb 0.07 -0.09 -0.30 0.00 1.00 0.00 0.00 33.01 33.70 3hux s GLN 41 CO 0.14 -0.13 1.04 0.78 -2.12 0.00 0.00 175.29 175.00 3hux h GLY 42 N 6.85 0.58 0.00 3.09 0.00 -1.88 -2.77 103.07 108.94 3hux h GLY 42 Ca -0.37 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 45.70 3hux h GLY 42 CO 0.40 1.11 0.00 1.04 0.00 0.00 0.00 176.54 179.09 3hux n LEU 43 N -3.93 0.00 0.00 3.11 7.99 -1.26 -3.76 117.00 119.16 3hux n LEU 43 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 3hux n LEU 43 Cb 0.92 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.23 3hux n LEU 43 CO 0.55 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.04 3hux n GLY 44 N 0.00 0.00 2.75 -0.72 0.00 -1.26 -4.83 105.19 101.13 3hux n GLY 44 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hux n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hux n GLU 45 N 0.64 4.60 -0.65 1.61 -0.58 -1.26 -4.51 120.64 120.49 3hux n GLU 45 Ca 0.00 -4.71 0.00 0.00 -0.42 0.00 0.00 57.16 52.04 3hux n GLU 45 Cb 0.38 -2.38 0.21 0.00 -0.57 0.00 0.00 31.44 29.08 3hux n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hux n ALA 46 N -0.14 3.79 -1.00 0.62 0.00 -1.26 -4.73 120.51 117.78 3hux n ALA 46 Ca 0.42 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.98 3hux n ALA 46 Cb 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3hux n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hux n LYS 47 N -0.97 1.19 -0.83 0.00 4.76 -1.26 -4.69 118.16 116.36 3hux n LYS 47 Ca 0.29 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 3hux n LYS 47 Cb 0.97 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 34.39 3hux n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hux s GLU 48 N 0.00 -0.78 0.00 1.97 8.01 -1.26 -3.56 118.70 123.08 3hux s GLU 48 Ca 0.00 0.48 0.00 0.00 0.01 0.00 0.00 54.97 55.46 3hux s GLU 48 Cb 0.00 -1.60 0.00 0.00 -4.31 0.00 0.00 34.13 28.22 3hux s GLU 48 CO 0.00 -3.54 0.00 -3.47 0.01 0.00 0.00 175.26 168.26 3hux n ASP 49 N -4.74 -2.01 -2.08 -0.19 2.03 -1.26 -4.34 116.55 103.97 3hux n ASP 49 Ca 0.06 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.34 3hux n ASP 49 Cb 0.57 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 3hux n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hux n ALA 50 N 0.22 -3.04 -2.24 -1.67 0.00 -1.26 -4.85 120.51 107.67 3hux n ALA 50 Ca 0.00 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 3hux n ALA 50 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 3hux n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hux s ARG 51 N -1.55 2.97 0.00 0.00 1.81 -1.23 -4.74 118.95 116.21 3hux s ARG 51 Ca 0.09 -1.05 -0.03 0.00 -1.72 0.00 0.00 55.73 53.03 3hux s ARG 51 Cb -0.03 -5.26 -0.01 0.00 -0.45 0.00 0.00 34.95 29.20 3hux s ARG 51 CO 0.34 -3.18 0.90 0.82 -0.68 0.00 0.00 175.30 173.49 3hux h ILE 52 N 6.50 0.00 -7.02 1.52 1.08 -1.88 -3.46 117.51 114.25 3hux h ILE 52 Ca 0.22 -0.01 -0.50 0.00 -0.39 0.00 0.00 64.86 64.17 3hux h ILE 52 Cb 0.96 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 3hux h ILE 52 CO 1.30 0.00 -0.84 0.18 -0.69 0.00 0.00 178.15 178.10 3hux n LEU 53 N -2.28 -0.17 -0.06 1.44 7.99 -1.26 -4.80 117.00 117.85 3hux n LEU 53 Ca -0.01 -1.09 -0.07 0.00 -0.01 0.00 0.00 56.01 54.83 3hux n LEU 53 Cb 0.04 -1.31 -0.10 0.00 -0.11 0.00 0.00 43.42 41.94 3hux n LEU 53 CO 0.03 0.65 -0.93 -0.62 -1.51 0.00 0.00 177.39 175.01 3hux n GLU 54 N -4.33 1.75 -0.29 3.23 -0.58 -1.26 -4.27 120.64 114.88 3hux n GLU 54 Ca -0.12 0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.74 3hux n GLU 54 Cb 0.48 -1.32 0.28 0.00 -0.57 0.00 0.00 31.44 30.30 3hux n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hux h LYS 55 N 0.00 0.38 0.00 3.49 3.64 -1.98 2.26 116.57 124.36 3hux h LYS 55 Ca -0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3hux h LYS 55 Cb 1.75 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3hux h LYS 55 CO 0.01 0.25 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 3hux h ALA 56 N 1.68 1.00 0.07 5.00 0.00 -1.96 -0.76 119.26 124.29 3hux h ALA 56 Ca 0.53 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.11 3hux h ALA 56 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3hux h ALA 56 CO -0.51 0.00 -1.78 0.00 0.00 0.00 0.00 179.25 176.95 3hux n ALA 57 N -1.85 0.89 0.39 0.00 0.00 0.72 -1.83 120.51 118.83 3hux n ALA 57 Ca 0.01 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 52.99 3hux n ALA 57 Cb 0.21 -0.58 0.51 0.00 0.00 0.00 0.00 19.45 19.60 3hux n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3hux h GLN 58 N -0.36 0.00 0.00 0.00 -0.00 -0.10 -2.51 115.11 112.13 3hux h GLN 58 Ca -0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.08 3hux h GLN 58 Cb 1.75 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.21 3hux h GLN 58 CO -0.05 0.00 -1.02 -1.91 -0.00 0.00 0.00 178.83 175.85 3hux n GLU 59 N -2.50 0.52 -0.31 0.06 2.13 -0.30 -1.10 120.64 119.13 3hux n GLU 59 Ca 0.02 0.54 0.07 0.00 0.66 0.00 0.00 57.16 58.46 3hux n GLU 59 Cb 0.29 -1.71 0.18 0.00 0.27 0.00 0.00 31.44 30.47 3hux n GLU 59 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hux h LEU 60 N -1.00 -0.59 0.00 4.31 7.12 -1.36 2.12 115.31 125.91 3hux h LEU 60 Ca -0.22 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.04 3hux h LEU 60 Cb 1.01 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 3hux h LEU 60 CO -0.14 -0.28 -0.06 0.00 -0.13 0.00 0.00 178.44 177.84 3hux h ALA 61 N 1.87 0.96 0.00 1.25 0.00 -1.59 -2.85 119.26 118.89 3hux h ALA 61 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 3hux h ALA 61 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hux h ALA 61 CO -0.85 0.00 -0.27 1.25 0.00 0.00 0.00 179.25 179.39 3hux h LEU 62 N 0.00 0.00 -0.46 0.00 5.85 0.50 1.93 115.31 123.13 3hux h LEU 62 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hux h LEU 62 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3hux h LEU 62 CO 0.00 0.27 -0.65 2.30 -0.34 0.00 0.00 178.44 180.02 3hux n ILE 63 N -3.59 0.00 -0.06 4.05 -5.35 -0.37 -4.55 119.36 109.49 3hux n ILE 63 Ca -0.01 -0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 3hux n ILE 63 Cb 0.40 1.11 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 3hux n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3hux n THR 64 N -0.77 0.70 -0.17 7.28 5.66 -0.94 -4.98 114.28 121.05 3hux n THR 64 Ca 0.06 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 3hux n THR 64 Cb 0.35 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 3hux n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hux n GLY 65 N 2.43 0.90 2.59 1.09 0.00 0.65 -4.99 105.19 107.86 3hux n GLY 65 Ca -0.24 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3hux n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hux s GLN 66 N -0.49 0.19 0.13 1.61 0.74 -1.23 -5.06 119.66 115.55 3hux s GLN 66 Ca 0.00 -0.36 -0.34 0.00 0.05 0.00 0.00 55.36 54.70 3hux s GLN 66 Cb 0.00 -1.52 -0.16 0.00 1.10 0.00 0.00 33.01 32.42 3hux s GLN 66 CO 0.00 -0.85 1.20 1.63 -0.55 0.00 0.00 175.29 176.71 3hux n LYS 67 N 5.23 1.05 -1.52 1.67 5.02 -1.26 -4.38 118.16 123.97 3hux n LYS 67 Ca -0.06 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 3hux n LYS 67 Cb 0.45 -1.91 0.12 0.00 -0.02 0.00 0.00 35.03 33.67 3hux n LYS 67 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hux s PRO 68 N -0.09 1.46 -0.29 1.97 0.02 -1.26 -4.92 135.00 131.89 3hux s PRO 68 Ca 0.78 0.44 -0.10 0.00 0.02 0.00 0.00 61.00 62.14 3hux s PRO 68 Cb -0.91 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 3hux s PRO 68 CO 0.51 -2.01 0.17 0.00 -0.33 0.00 0.00 177.00 175.34 3hux s ALA 69 N -3.21 3.41 -1.04 -1.55 0.00 0.46 -4.86 121.76 114.97 3hux s ALA 69 Ca 0.63 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 3hux s ALA 69 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3hux s ALA 69 CO 0.54 -0.68 1.86 0.14 0.00 0.00 0.00 175.76 177.63 3hux s VAL 70 N 1.70 3.59 0.77 0.00 -7.23 -1.26 -1.55 120.40 116.42 3hux s VAL 70 Ca 0.06 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 3hux s VAL 70 Cb -0.16 -4.41 0.06 0.00 0.56 0.00 0.00 36.38 32.43 3hux s VAL 70 CO 0.09 -1.17 1.11 0.42 -0.31 0.00 0.00 175.10 175.24 3hux s THR 71 N 9.28 3.00 0.33 5.32 -4.23 -0.70 -4.88 115.64 123.77 3hux s THR 71 Ca 0.65 0.36 0.04 0.00 -1.18 0.00 0.00 61.69 61.57 3hux s THR 71 Cb -0.03 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 70.97 3hux s THR 71 CO 0.03 -0.39 0.04 -0.13 -0.54 0.00 0.00 174.62 173.64 3hux s ARG 72 N -4.62 1.67 0.18 3.99 0.52 -1.20 -2.71 118.95 116.79 3hux s ARG 72 Ca 0.64 -1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 3hux s ARG 72 Cb -0.20 -0.97 -0.08 0.00 0.52 0.00 0.00 34.95 34.22 3hux s ARG 72 CO 0.53 -0.15 1.24 0.00 0.02 0.00 0.00 175.30 176.93 3hux s ALA 73 N -3.21 3.47 -0.01 2.13 0.00 -1.20 -4.95 121.76 117.98 3hux s ALA 73 Ca 0.36 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 3hux s ALA 73 Cb 0.08 -3.44 -0.32 0.00 0.00 0.00 0.00 23.12 19.44 3hux s ALA 73 CO 0.15 -0.44 0.81 0.87 0.00 0.00 0.00 175.76 177.15 3hux h LYS 74 N 5.41 0.43 0.00 0.00 1.57 -1.90 -3.36 116.57 118.72 3hux h LYS 74 Ca -0.44 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 57.60 3hux h LYS 74 Cb 1.21 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.80 3hux h LYS 74 CO 0.76 1.35 0.00 1.63 -0.57 0.00 0.00 179.45 182.62 3hux n LYS 75 N -3.62 0.00 0.00 3.15 5.02 -1.26 -4.90 118.16 116.55 3hux n LYS 75 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3hux n LYS 75 Cb 1.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.09 3hux n LYS 75 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hux n SER 76 N 0.00 0.00 -3.98 4.39 3.41 -1.26 -1.76 113.62 114.42 3hux n SER 76 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3hux n SER 76 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3hux n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hux s ILE 77 N 0.00 1.36 0.05 -1.33 -1.09 -1.24 -4.74 121.20 114.21 3hux s ILE 77 Ca 0.00 -0.50 -0.32 0.00 -2.23 0.00 0.00 60.65 57.60 3hux s ILE 77 Cb 0.00 -1.30 -0.17 0.00 -1.58 0.00 0.00 42.46 39.41 3hux s ILE 77 CO 0.00 0.42 1.48 -1.28 -1.23 0.00 0.00 174.94 174.33 3hux h SER 78 N 8.05 -1.02 -0.44 3.58 0.87 -1.87 -3.23 113.55 119.50 3hux h SER 78 Ca -0.35 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.33 3hux h SER 78 Cb 1.14 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 63.30 3hux h SER 78 CO 0.48 -0.67 -0.17 0.59 -0.53 0.00 0.00 176.83 176.54 3hux n ASN 79 N -5.07 -0.27 -3.47 6.23 4.13 -1.26 -1.63 115.26 113.91 3hux n ASN 79 Ca -0.13 0.76 -0.27 0.00 1.68 0.00 0.00 54.58 56.62 3hux n ASN 79 Cb 0.44 -0.18 -0.08 0.00 -1.54 0.00 0.00 39.78 38.41 3hux n ASN 79 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3hux n PHE 80 N -4.65 3.38 0.00 3.10 -0.00 -1.22 -5.08 117.46 112.98 3hux n PHE 80 Ca 0.05 -4.14 0.00 0.00 -0.00 0.00 0.00 57.45 53.35 3hux n PHE 80 Cb 0.18 -0.55 0.00 0.00 -0.00 0.00 0.00 39.48 39.11 3hux n PHE 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3hux n LYS 81 N 1.03 0.00 0.00 -4.13 5.02 -0.65 -4.85 118.16 114.57 3hux n LYS 81 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3hux n LYS 81 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 3hux n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hux n LEU 82 N 0.00 0.00 -3.89 -0.35 4.77 -1.26 -4.33 117.00 111.94 3hux n LEU 82 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3hux n LEU 82 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3hux n LEU 82 CO 0.00 0.00 0.41 0.00 -1.33 0.00 0.00 177.39 176.47 3hux s ARG 83 N 0.00 1.99 0.00 3.23 1.04 -1.26 -3.65 118.95 120.30 3hux s ARG 83 Ca 0.00 -1.35 0.00 0.00 -1.04 0.00 0.00 55.73 53.34 3hux s ARG 83 Cb 0.00 0.58 0.00 0.00 -2.04 0.00 0.00 34.95 33.49 3hux s ARG 83 CO 0.00 -0.90 0.00 1.63 -0.04 0.00 0.00 175.30 175.99 3hux n LYS 84 N -0.50 0.00 0.00 3.89 5.02 -0.72 -4.74 118.16 121.11 3hux n LYS 84 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3hux n LYS 84 Cb 0.60 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 3hux n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hux n GLY 85 N 0.00 4.12 0.00 0.72 0.00 -1.26 -4.60 105.19 104.17 3hux n GLY 85 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3hux n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hux n MET 86 N 0.00 0.00 0.00 1.61 1.56 -1.26 -3.26 117.12 115.77 3hux n MET 86 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3hux n MET 86 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 3hux n MET 86 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3hux n PRO 87 N -0.39 0.00 -1.85 2.12 -0.02 -1.26 -4.33 135.00 129.26 3hux n PRO 87 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3hux n PRO 87 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 33.66 3hux n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3hux s ILE 88 N 0.00 1.97 0.00 4.25 1.10 -1.26 -4.85 121.20 122.41 3hux s ILE 88 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 3hux s ILE 88 Cb 0.00 -2.95 0.00 0.00 0.15 0.00 0.00 42.46 39.66 3hux s ILE 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 3hux n GLY 89 N -3.48 3.41 3.03 1.50 0.00 -1.10 -3.21 105.19 105.33 3hux n GLY 89 Ca 0.14 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3hux n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hux s LEU 90 N 0.00 0.27 -0.28 0.99 1.43 -1.05 -1.72 118.68 118.33 3hux s LEU 90 Ca 0.00 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 53.43 3hux s LEU 90 Cb 0.00 0.69 0.11 0.00 0.03 0.00 0.00 46.19 47.02 3hux s LEU 90 CO 0.00 -0.18 0.86 -0.60 0.23 0.00 0.00 176.35 176.66 3hux s ARG 91 N 1.52 0.58 -0.03 1.70 3.00 -0.59 -0.11 118.95 125.02 3hux s ARG 91 Ca -0.07 0.88 0.06 0.00 -1.00 0.00 0.00 55.73 55.60 3hux s ARG 91 Cb -0.11 0.18 -0.01 0.00 0.00 0.00 0.00 34.95 35.01 3hux s ARG 91 CO -0.08 -0.10 -0.21 0.54 0.00 0.00 0.00 175.30 175.44 3hux s VAL 92 N 1.05 1.70 -0.24 7.11 0.11 -0.99 -0.41 120.40 128.73 3hux s VAL 92 Ca -0.05 -0.90 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 3hux s VAL 92 Cb -0.05 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3hux s VAL 92 CO -0.12 0.48 0.13 -0.89 -3.33 0.00 0.00 175.10 171.37 3hux s THR 93 N -0.34 4.96 -0.17 5.04 2.01 -1.26 -2.61 115.64 123.27 3hux s THR 93 Ca 0.04 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 3hux s THR 93 Cb -0.10 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3hux s THR 93 CO 0.00 0.33 0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 3hux s LEU 94 N 1.30 3.71 0.00 4.42 1.43 -0.96 -5.01 118.68 123.57 3hux s LEU 94 Ca 0.06 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3hux s LEU 94 Cb -0.15 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3hux s LEU 94 CO 0.06 0.20 0.13 0.54 0.23 0.00 0.00 176.35 177.50 3hux n ARG 95 N 3.36 0.58 0.00 1.70 1.74 -1.26 -1.53 116.66 121.26 3hux n ARG 95 Ca -0.17 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.45 3hux n ARG 95 Cb 0.52 1.50 0.00 0.00 -1.02 0.00 0.00 32.46 33.46 3hux n ARG 95 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hux n ARG 96 N -0.61 0.00 0.06 5.56 5.12 -1.26 0.67 116.66 126.20 3hux n ARG 96 Ca -0.02 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.91 3hux n ARG 96 Cb 0.44 0.00 0.33 0.00 -1.16 0.00 0.00 32.46 32.07 3hux n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3hux h ASP 97 N 0.00 0.35 -0.32 0.55 3.32 -1.99 -1.30 116.42 117.03 3hux h ASP 97 Ca 0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3hux h ASP 97 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3hux h ASP 97 CO 0.00 0.49 0.04 0.03 -1.72 0.00 0.00 179.24 178.08 3hux h ARG 98 N 0.35 0.63 -0.63 3.56 2.47 -1.79 -0.26 114.38 118.72 3hux h ARG 98 Ca 0.07 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3hux h ARG 98 Cb 0.40 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 3hux h ARG 98 CO 0.02 0.62 0.37 1.98 0.56 0.00 0.00 179.97 183.52 3hux h MET 99 N 0.61 0.85 0.22 0.04 4.05 0.14 -2.91 114.93 117.93 3hux h MET 99 Ca 0.13 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3hux h MET 99 Cb 0.32 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hux h MET 99 CO 0.01 0.62 -0.10 -1.49 0.23 0.00 0.00 176.91 176.17 3hux h TRP 100 N 0.85 -0.27 0.00 1.39 4.06 -0.95 -2.83 115.95 118.20 3hux h TRP 100 Ca 0.22 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3hux h TRP 100 Cb -0.01 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3hux h TRP 100 CO -0.02 -0.07 0.04 0.44 -3.56 0.00 0.00 178.44 175.28 3hux n ILE 101 N -4.96 0.69 -0.05 1.49 -0.00 -0.17 -2.03 119.36 114.32 3hux n ILE 101 Ca -0.05 0.22 -0.04 0.00 -0.00 0.00 0.00 62.75 62.87 3hux n ILE 101 Cb 0.16 -1.22 -0.01 0.00 -0.00 0.00 0.00 39.64 38.57 3hux n ILE 101 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 3hux n PHE 102 N -1.11 0.18 -0.41 4.28 -0.00 -1.10 -4.40 117.46 114.90 3hux n PHE 102 Ca 0.00 0.08 0.35 0.00 -0.00 0.00 0.00 57.45 57.88 3hux n PHE 102 Cb 0.04 -0.38 0.67 0.00 -0.00 0.00 0.00 39.48 39.82 3hux n PHE 102 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3hux h LEU 103 N -0.59 0.18 0.00 -2.13 3.38 -1.14 -2.05 115.31 112.96 3hux h LEU 103 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hux h LEU 103 Cb 0.49 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hux h LEU 103 CO 0.00 -0.03 0.00 1.21 0.09 0.00 0.00 178.44 179.71 3hux n GLU 104 N -4.40 0.00 -0.28 1.13 2.13 -0.86 -0.27 120.64 118.09 3hux n GLU 104 Ca 0.32 0.13 -0.03 0.00 0.66 0.00 0.00 57.16 58.24 3hux n GLU 104 Cb 1.32 -0.91 -0.00 0.00 0.27 0.00 0.00 31.44 32.12 3hux n GLU 104 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hux n LYS 105 N -0.53 -0.21 -0.24 5.31 5.02 -0.83 0.61 118.16 127.28 3hux n LYS 105 Ca 0.00 1.08 -0.11 0.00 -2.02 0.00 0.00 58.31 57.26 3hux n LYS 105 Cb 0.00 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.33 3hux n LYS 105 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hux h LEU 106 N 0.00 -1.87 -0.97 -0.35 5.85 -1.28 1.58 115.31 118.27 3hux h LEU 106 Ca 0.21 0.27 -0.10 0.00 0.84 0.00 0.00 57.88 59.10 3hux h LEU 106 Cb 0.38 0.80 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3hux h LEU 106 CO -0.69 -0.34 -0.48 -0.07 -0.34 0.00 0.00 178.44 176.52 3hux h LEU 107 N -0.23 0.00 0.01 2.25 3.38 0.33 0.26 115.31 121.31 3hux h LEU 107 Ca 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 3hux h LEU 107 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3hux h LEU 107 CO -0.73 0.48 -1.68 0.59 0.09 0.00 0.00 178.44 177.19 3hux n ASN 108 N -3.80 1.91 -0.07 -0.43 4.13 0.10 -4.71 115.26 112.40 3hux n ASN 108 Ca -0.01 0.36 -0.08 0.00 1.68 0.00 0.00 54.58 56.53 3hux n ASN 108 Cb 0.52 -0.91 -0.09 0.00 -1.54 0.00 0.00 39.78 37.77 3hux n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3hux n VAL 109 N -4.26 0.85 0.00 2.41 0.31 0.51 -4.70 118.33 113.45 3hux n VAL 109 Ca -0.38 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 3hux n VAL 109 Cb 0.78 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3hux n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hux n ALA 110 N -2.64 0.00 -0.23 3.52 0.00 0.48 -3.89 120.51 117.75 3hux n ALA 110 Ca -0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hux n ALA 110 Cb 0.85 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.52 3hux n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hux n LEU 111 N -0.24 -0.04 -0.12 0.00 4.77 0.87 -1.17 117.00 121.08 3hux n LEU 111 Ca 0.00 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 57.08 3hux n LEU 111 Cb 0.00 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 3hux n LEU 111 CO 0.00 -1.16 0.41 -2.65 -1.33 0.00 0.00 177.39 172.66 3hux n PRO 112 N -4.84 -0.12 -2.92 3.23 -0.02 -1.26 -3.32 135.00 125.75 3hux n PRO 112 Ca 0.17 0.97 -0.44 0.00 -2.02 0.00 0.00 63.50 62.18 3hux n PRO 112 Cb 0.55 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 3hux n PRO 112 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hux s ARG 113 N -3.82 3.38 -0.42 -0.52 3.00 -0.32 -4.86 118.95 115.39 3hux s ARG 113 Ca -0.03 -1.40 0.04 0.00 -1.00 0.00 0.00 55.73 53.34 3hux s ARG 113 Cb 0.03 -4.62 0.17 0.00 0.00 0.00 0.00 34.95 30.53 3hux s ARG 113 CO 0.17 -1.77 0.37 0.42 0.00 0.00 0.00 175.30 174.50 3hux s ILE 114 N 3.17 0.21 0.00 4.11 1.01 -1.21 -4.76 121.20 123.73 3hux s ILE 114 Ca 0.27 -2.48 0.00 0.00 0.00 0.00 0.00 60.65 58.44 3hux s ILE 114 Cb -0.11 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hux s ILE 114 CO -0.01 -1.13 0.00 0.54 0.00 0.00 0.00 174.94 174.34 3hux n ARG 115 N 2.88 0.00 -0.13 2.79 1.74 -1.26 -0.50 116.66 122.18 3hux n ARG 115 Ca 0.28 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.08 3hux n ARG 115 Cb 0.48 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.83 3hux n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hux n ASP 116 N 1.20 1.90 -1.66 0.55 9.92 -1.26 -5.08 116.55 122.12 3hux n ASP 116 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 3hux n ASP 116 Cb 0.00 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 3hux n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3hux n PHE 117 N -4.22 0.00 -2.58 1.24 7.35 0.35 -4.89 117.46 114.71 3hux n PHE 117 Ca -0.52 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 55.90 3hux n PHE 117 Cb 0.86 -0.58 -0.01 0.00 0.35 0.00 0.00 39.48 40.10 3hux n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hux n ARG 118 N 1.87 3.36 0.00 -4.13 1.74 -1.26 -4.96 116.66 113.28 3hux n ARG 118 Ca 0.00 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.51 3hux n ARG 118 Cb 0.00 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 3hux n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hux n GLY 119 N -0.43 0.34 3.46 -0.13 0.00 -1.26 -3.76 105.19 103.42 3hux n GLY 119 Ca 0.37 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3hux n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hux s LEU 120 N -0.97 4.22 -0.28 0.99 1.43 -1.18 -3.78 118.68 119.11 3hux s LEU 120 Ca 0.00 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3hux s LEU 120 Cb 0.00 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 3hux s LEU 120 CO 0.00 -0.20 1.01 -3.20 0.23 0.00 0.00 176.35 174.18 3hux n ASN 121 N 5.01 0.58 0.00 2.29 2.85 -1.26 -2.03 115.26 122.71 3hux n ASN 121 Ca -0.14 0.56 0.07 0.00 -0.11 0.00 0.00 54.58 54.97 3hux n ASN 121 Cb 0.49 -0.50 0.44 0.00 1.24 0.00 0.00 39.78 41.46 3hux n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3hux n PRO 122 N 2.96 0.61 0.01 1.20 -0.04 -1.26 -3.53 135.00 134.95 3hux n PRO 122 Ca 0.22 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 3hux n PRO 122 Cb -0.03 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 3hux n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hux n ASN 123 N -0.88 0.18 0.00 3.54 4.13 -1.26 -4.47 115.26 116.50 3hux n ASN 123 Ca 0.11 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3hux n ASN 123 Cb 0.05 1.66 0.00 0.00 -1.54 0.00 0.00 39.78 39.95 3hux n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hux n SER 124 N -2.36 0.00 0.00 6.41 7.64 -1.23 -3.46 113.62 120.62 3hux n SER 124 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3hux n SER 124 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 3hux n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hux n PHE 125 N -0.54 0.00 -2.43 1.43 3.01 -1.26 -3.15 117.46 114.52 3hux n PHE 125 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 3hux n PHE 125 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 3hux n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hux n ASP 126 N 0.00 -5.11 0.00 4.37 8.00 -1.22 -3.65 116.55 118.93 3hux n ASP 126 Ca 0.00 1.46 0.00 0.00 0.71 0.00 0.00 54.79 56.96 3hux n ASP 126 Cb 0.00 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 3hux n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hux n GLY 127 N 1.94 0.00 3.62 0.44 0.00 -1.26 -4.85 105.19 105.09 3hux n GLY 127 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3hux n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hux s ARG 128 N 0.00 3.97 0.00 1.61 1.81 -1.24 -4.82 118.95 120.28 3hux s ARG 128 Ca 0.00 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3hux s ARG 128 Cb 0.00 -3.77 0.00 0.00 -0.45 0.00 0.00 34.95 30.73 3hux s ARG 128 CO 0.00 -0.93 1.53 0.41 -0.68 0.00 0.00 175.30 175.63 3hux n GLY 129 N 4.11 2.13 3.53 -3.53 0.00 -1.25 -4.58 105.19 105.60 3hux n GLY 129 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3hux n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hux s ASN 130 N 1.74 -0.17 0.08 1.61 0.01 -1.26 -1.24 114.94 115.71 3hux s ASN 130 Ca 0.00 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.50 3hux s ASN 130 Cb 0.00 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.19 3hux s ASN 130 CO 0.00 -1.07 -0.07 -0.47 -1.51 0.00 0.00 177.10 173.98 3hux s TYR 131 N -3.93 0.80 -0.02 2.20 5.04 0.99 -4.61 117.35 117.82 3hux s TYR 131 Ca 0.14 -0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 53.97 3hux s TYR 131 Cb -0.01 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.84 3hux s TYR 131 CO 0.01 -0.13 0.08 -0.80 -1.34 0.00 0.00 175.55 173.37 3hux s ASN 132 N -2.49 -0.01 -0.07 4.32 0.01 -1.19 -0.60 114.94 114.91 3hux s ASN 132 Ca 0.04 -0.02 -0.31 0.00 -0.71 0.00 0.00 52.86 51.86 3hux s ASN 132 Cb -0.00 0.18 0.08 0.00 0.41 0.00 0.00 41.25 41.91 3hux s ASN 132 CO -0.03 -0.15 0.72 -1.48 -1.51 0.00 0.00 177.10 174.65 3hux s LEU 133 N -0.53 -0.63 0.24 0.60 2.34 -0.43 -4.77 118.68 115.50 3hux s LEU 133 Ca -0.06 0.72 0.09 0.00 0.06 0.00 0.00 54.13 54.94 3hux s LEU 133 Cb -0.04 2.46 -0.04 0.00 -0.56 0.00 0.00 46.19 48.01 3hux s LEU 133 CO 0.00 -0.56 -0.02 -0.83 -1.06 0.00 0.00 176.35 173.88 3hux s GLY 134 N -1.10 1.68 -0.01 -3.48 0.00 -1.26 -0.39 107.32 102.75 3hux s GLY 134 Ca -0.09 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.05 3hux s GLY 134 CO 0.09 -1.66 -0.11 1.08 0.00 0.00 0.00 173.10 172.50 3hux s LEU 135 N -3.47 2.00 -0.12 0.66 1.02 -0.41 -4.99 118.68 113.37 3hux s LEU 135 Ca 0.30 -0.20 -0.12 0.00 0.02 0.00 0.00 54.13 54.12 3hux s LEU 135 Cb -0.07 -0.58 -0.11 0.00 0.02 0.00 0.00 46.19 45.46 3hux s LEU 135 CO 0.19 0.13 0.30 0.03 0.02 0.00 0.00 176.35 177.02 3hux h ARG 136 N 5.92 0.00 0.00 1.70 3.08 -1.90 -0.59 114.38 122.59 3hux h ARG 136 Ca -0.32 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.44 3hux h ARG 136 Cb 1.17 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.31 3hux h ARG 136 CO 0.49 0.42 0.17 0.39 -1.07 0.00 0.00 179.97 180.38 3hux n GLU 137 N -4.70 -0.35 0.00 0.04 1.02 -1.26 -0.42 120.64 114.97 3hux n GLU 137 Ca -0.05 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 3hux n GLU 137 Cb 0.22 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3hux n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hux n GLN 138 N -2.51 1.58 0.00 3.49 0.00 -1.23 -4.38 117.38 114.33 3hux n GLN 138 Ca 0.11 -0.01 0.16 0.00 0.00 0.00 0.00 57.00 57.26 3hux n GLN 138 Cb 0.38 -0.15 0.87 0.00 0.00 0.00 0.00 30.24 31.34 3hux n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3hux n LEU 139 N -0.23 0.01 0.08 2.61 -0.00 -1.26 -3.32 117.00 114.89 3hux n LEU 139 Ca 0.00 0.11 0.06 0.00 -0.00 0.00 0.00 56.01 56.18 3hux n LEU 139 Cb 0.01 -0.11 0.32 0.00 -0.00 0.00 0.00 43.42 43.64 3hux n LEU 139 CO 0.00 0.00 0.69 -0.38 -0.00 0.00 0.00 177.39 177.70 3hux n ILE 140 N -1.10 1.40 -3.90 1.47 5.41 -1.26 -4.61 119.36 116.77 3hux n ILE 140 Ca 0.20 0.56 -0.22 0.00 1.00 0.00 0.00 62.75 64.29 3hux n ILE 140 Cb 0.16 -1.53 -0.02 0.00 -0.71 0.00 0.00 39.64 37.54 3hux n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3hux s PHE 141 N -3.27 3.46 -0.10 1.39 0.08 -1.21 -3.91 117.98 114.43 3hux s PHE 141 Ca -0.00 0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.85 3hux s PHE 141 Cb 0.04 -1.62 -0.20 0.00 -0.57 0.00 0.00 43.02 40.67 3hux s PHE 141 CO 0.14 0.42 0.80 -1.00 -0.10 0.00 0.00 175.22 175.48 3hux h PRO 142 N 1.27 -0.04 0.00 0.24 0.13 -1.92 -3.32 132.00 128.36 3hux h PRO 142 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hux h PRO 142 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hux h PRO 142 CO 0.62 0.64 0.17 -0.85 -0.23 0.00 0.00 178.00 178.35 3hux n GLU 143 N -4.74 0.00 -4.36 0.86 0.00 -1.26 -4.41 120.64 106.73 3hux n GLU 143 Ca -0.08 0.27 -0.20 0.00 0.00 0.00 0.00 57.16 57.16 3hux n GLU 143 Cb 0.34 -1.67 -0.15 0.00 0.00 0.00 0.00 31.44 29.96 3hux n GLU 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3hux s ILE 144 N -2.51 0.74 0.39 3.84 1.10 -1.25 -4.94 121.20 118.58 3hux s ILE 144 Ca 0.00 -0.35 0.08 0.00 -0.51 0.00 0.00 60.65 59.87 3hux s ILE 144 Cb 0.00 -0.65 -0.01 0.00 0.15 0.00 0.00 42.46 41.95 3hux s ILE 144 CO 0.00 0.23 0.45 0.42 -2.11 0.00 0.00 174.94 173.93 3hux s THR 145 N 0.12 3.11 0.09 4.00 -4.23 -1.26 -4.73 115.64 112.74 3hux s THR 145 Ca -0.02 -1.17 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 3hux s THR 145 Cb -0.07 -3.08 -0.15 0.00 1.34 0.00 0.00 72.50 70.53 3hux s THR 145 CO 0.00 -0.05 1.70 0.22 -0.54 0.00 0.00 174.62 175.95 3hux h TYR 146 N 0.89 -0.30 -0.17 3.99 3.20 -1.96 -3.28 116.97 119.33 3hux h TYR 146 Ca -0.42 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.48 3hux h TYR 146 Cb 1.27 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 39.59 3hux h TYR 146 CO 0.46 -0.18 -0.48 0.22 -1.64 0.00 0.00 178.16 176.54 3hux h ASP 147 N -0.30 -1.53 -2.26 -2.11 3.58 -2.03 -3.34 116.42 108.42 3hux h ASP 147 Ca -0.02 0.19 -0.57 0.00 0.42 0.00 0.00 57.03 57.05 3hux h ASP 147 Cb 0.25 0.60 -0.10 0.00 1.72 0.00 0.00 39.33 41.81 3hux h ASP 147 CO 0.02 -0.40 1.01 -0.32 -2.88 0.00 0.00 179.24 176.67 3hux s MET 148 N -5.33 3.24 0.00 0.28 1.75 -1.24 -4.60 119.30 113.40 3hux s MET 148 Ca -0.13 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 3hux s MET 148 Cb 0.06 -4.36 0.00 0.00 2.84 0.00 0.00 34.83 33.38 3hux s MET 148 CO 0.53 -2.08 0.00 1.33 -0.65 0.00 0.00 175.02 174.14 3hux n VAL 149 N 6.33 0.00 -0.27 10.11 0.24 -1.26 -4.55 118.33 128.94 3hux n VAL 149 Ca 0.06 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.32 3hux n VAL 149 Cb 0.49 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.87 3hux n VAL 149 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3hux h ASP 150 N 0.00 -1.26 -2.44 -1.34 2.03 -1.90 -3.43 116.42 108.08 3hux h ASP 150 Ca 0.00 0.26 -0.55 0.00 -0.73 0.00 0.00 57.03 56.01 3hux h ASP 150 Cb 0.00 0.64 -0.13 0.00 -0.83 0.00 0.00 39.33 39.01 3hux h ASP 150 CO 0.00 -0.30 -0.60 0.00 -1.03 0.00 0.00 179.24 177.31 3hux s ALA 151 N -5.98 2.78 1.15 4.15 0.00 -1.26 -5.16 121.76 117.45 3hux s ALA 151 Ca -0.14 -2.16 -0.19 0.00 0.00 0.00 0.00 51.96 49.46 3hux s ALA 151 Cb 0.17 0.41 0.28 0.00 0.00 0.00 0.00 23.12 23.99 3hux s ALA 151 CO 0.70 -0.21 1.20 -1.17 0.00 0.00 0.00 175.76 176.28 3hux s LEU 152 N -3.60 1.35 -0.31 0.00 2.96 -1.26 -5.06 118.68 112.76 3hux s LEU 152 Ca 0.35 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.52 3hux s LEU 152 Cb 0.09 -2.12 0.19 0.00 0.50 0.00 0.00 46.19 44.85 3hux s LEU 152 CO 0.17 -3.81 1.09 -0.60 -1.32 0.00 0.00 176.35 171.88 3hux s ARG 153 N -5.68 0.11 0.96 1.98 6.06 -1.26 -5.02 118.95 116.10 3hux s ARG 153 Ca 0.74 0.02 -0.16 0.00 -2.50 0.00 0.00 55.73 53.82 3hux s ARG 153 Cb -0.05 0.03 0.23 0.00 0.06 0.00 0.00 34.95 35.21 3hux s ARG 153 CO 0.55 -0.18 1.05 0.41 -2.50 0.00 0.00 175.30 174.63 3hux n GLY 154 N 4.29 -2.11 3.56 8.12 0.00 0.44 -3.51 105.19 115.99 3hux n GLY 154 Ca 0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 3hux n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hux s MET 155 N -5.34 0.50 -0.09 1.61 0.23 -0.23 -4.83 119.30 111.16 3hux s MET 155 Ca 0.64 -0.15 -0.04 0.00 -1.03 0.00 0.00 55.69 55.11 3hux s MET 155 Cb -0.04 0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 3hux s MET 155 CO 0.47 -0.21 0.07 -0.51 -2.03 0.00 0.00 175.02 172.80 3hux s ASP 156 N -2.15 5.76 -0.16 -1.18 1.01 -0.68 -1.28 116.67 117.99 3hux s ASP 156 Ca 0.07 0.28 0.01 0.00 0.71 0.00 0.00 52.55 53.62 3hux s ASP 156 Cb -0.01 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.21 3hux s ASP 156 CO -0.06 0.38 -0.14 -0.63 0.21 0.00 0.00 175.17 174.94 3hux s ILE 157 N -0.97 1.62 -0.21 0.77 1.01 0.47 -1.98 121.20 121.91 3hux s ILE 157 Ca 0.15 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3hux s ILE 157 Cb -0.12 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.82 3hux s ILE 157 CO 0.04 0.39 -0.16 0.00 0.00 0.00 0.00 174.94 175.21 3hux s ALA 158 N 1.45 2.43 -0.24 9.38 0.00 0.20 -1.32 121.76 133.68 3hux s ALA 158 Ca 0.03 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 3hux s ALA 158 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3hux s ALA 158 CO -0.10 -0.59 0.13 0.54 0.00 0.00 0.00 175.76 175.74 3hux s VAL 159 N 1.25 5.08 -0.03 0.00 0.11 0.23 0.97 120.40 128.01 3hux s VAL 159 Ca 0.01 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 3hux s VAL 159 Cb -0.15 -3.37 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 3hux s VAL 159 CO -0.10 0.35 0.27 -0.69 -3.33 0.00 0.00 175.10 171.60 3hux s VAL 160 N 1.13 5.28 0.02 2.04 1.01 0.20 -0.01 120.40 130.08 3hux s VAL 160 Ca 0.06 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3hux s VAL 160 Cb -0.14 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3hux s VAL 160 CO 0.05 0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.71 3hux s THR 161 N -1.15 0.39 -2.00 3.92 2.01 -0.37 -2.42 115.64 116.01 3hux s THR 161 Ca 0.22 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3hux s THR 161 Cb -0.14 -0.42 0.21 0.00 0.01 0.00 0.00 72.50 72.16 3hux s THR 161 CO 0.11 -0.21 1.09 0.35 -0.69 0.00 0.00 174.62 175.27 3hux n THR 162 N 2.09 0.00 -2.41 -0.82 -2.24 -1.24 -4.47 114.28 105.20 3hux n THR 162 Ca -0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 3hux n THR 162 Cb 0.56 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3hux n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hux s ALA 163 N -2.00 2.79 -0.18 6.98 0.00 -1.25 -4.84 121.76 123.25 3hux s ALA 163 Ca 0.11 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.85 3hux s ALA 163 Cb 0.05 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.71 3hux s ALA 163 CO 0.08 -0.52 -0.08 0.39 0.00 0.00 0.00 175.76 175.63 3hux n GLU 164 N -1.11 0.90 -3.05 0.00 1.02 -1.26 -3.84 120.64 113.30 3hux n GLU 164 Ca 0.10 0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 3hux n GLU 164 Cb 0.52 -1.41 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 3hux n GLU 164 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hux s THR 165 N -2.40 2.71 -0.10 2.62 -4.23 -1.26 -4.22 115.64 108.76 3hux s THR 165 Ca -0.19 -1.02 -0.24 0.00 -1.18 0.00 0.00 61.69 59.07 3hux s THR 165 Cb 0.06 -2.73 -0.28 0.00 1.34 0.00 0.00 72.50 70.90 3hux s THR 165 CO 0.55 0.00 0.74 0.44 -0.54 0.00 0.00 174.62 175.80 3hux h ASP 166 N 0.51 0.24 -0.63 3.99 3.45 -1.90 -2.04 116.42 120.04 3hux h ASP 166 Ca -0.37 -0.91 0.13 0.00 0.43 0.00 0.00 57.03 56.31 3hux h ASP 166 Cb 1.28 -0.08 -0.10 0.00 -0.56 0.00 0.00 39.33 39.87 3hux h ASP 166 CO 0.44 1.29 0.07 -0.33 -1.57 0.00 0.00 179.24 179.15 3hux h GLU 167 N -0.65 0.18 -0.09 3.56 3.07 -1.95 7.09 114.58 125.79 3hux h GLU 167 Ca -0.13 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3hux h GLU 167 Cb 1.40 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 3hux h GLU 167 CO 0.05 0.12 0.03 0.93 -1.40 0.00 0.00 179.01 178.74 3hux h GLU 168 N 0.19 0.07 -0.10 2.33 5.08 -1.97 0.16 114.58 120.34 3hux h GLU 168 Ca 0.34 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 3hux h GLU 168 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hux h GLU 168 CO -0.48 0.05 -0.01 0.00 -1.00 0.00 0.00 179.01 177.56 3hux h ALA 169 N 1.06 0.14 0.04 3.43 0.00 0.51 -2.88 119.26 121.55 3hux h ALA 169 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hux h ALA 169 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hux h ALA 169 CO -0.04 -0.16 -0.27 -0.09 0.00 0.00 0.00 179.25 178.69 3hux h ARG 170 N -0.11 -0.35 -0.43 0.00 9.65 1.48 -2.21 114.38 122.40 3hux h ARG 170 Ca 0.03 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 3hux h ARG 170 Cb 0.38 0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.95 3hux h ARG 170 CO 0.01 -0.24 -0.53 0.00 2.80 0.00 0.00 179.97 182.01 3hux h ALA 171 N -1.02 -0.70 -0.14 2.80 0.00 -0.77 -0.15 119.26 119.27 3hux h ALA 171 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hux h ALA 171 Cb 0.38 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3hux h ALA 171 CO -0.16 -1.01 -0.12 1.25 0.00 0.00 0.00 179.25 179.21 3hux h LEU 172 N -0.37 -0.43 -2.04 0.00 6.46 -1.34 0.91 115.31 118.49 3hux h LEU 172 Ca 0.09 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 3hux h LEU 172 Cb 0.59 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 3hux h LEU 172 CO -0.61 -0.07 0.38 -0.07 -0.62 0.00 0.00 178.44 177.44 3hux h LEU 173 N -0.05 0.00 -0.06 2.25 3.38 -1.24 0.19 115.31 119.78 3hux h LEU 173 Ca 0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 3hux h LEU 173 Cb 0.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hux h LEU 173 CO -0.16 0.00 -0.92 -0.08 0.09 0.00 0.00 178.44 177.37 3hux h GLU 174 N 0.00 0.72 0.00 1.13 4.81 0.19 -0.76 114.58 120.67 3hux h GLU 174 Ca 0.19 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3hux h GLU 174 Cb 0.94 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3hux h GLU 174 CO -0.00 1.29 0.00 -0.07 -0.73 0.00 0.00 179.01 179.50 3hux h LEU 175 N 0.42 0.00 0.11 1.64 4.07 0.24 -3.15 115.31 118.64 3hux h LEU 175 Ca -0.10 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.58 3hux h LEU 175 Cb 1.57 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.34 3hux h LEU 175 CO 0.18 0.00 -1.19 -0.07 -1.08 0.00 0.00 178.44 176.29 3hux h LEU 176 N 0.00 0.84 0.00 1.67 3.38 -1.04 -3.46 115.31 116.71 3hux h LEU 176 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3hux h LEU 176 Cb 0.69 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hux h LEU 176 CO 0.00 1.58 0.00 0.61 0.09 0.00 0.00 178.44 180.72 3hux n GLY 177 N 1.38 -0.96 3.62 0.83 0.00 -1.08 -5.03 105.19 103.95 3hux n GLY 177 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3hux n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hux s PHE 178 N 0.00 1.24 0.99 1.61 0.40 -0.31 -4.95 117.98 116.95 3hux s PHE 178 Ca 0.00 0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.42 3hux s PHE 178 Cb 0.00 -4.04 0.18 0.00 0.51 0.00 0.00 43.02 39.67 3hux s PHE 178 CO 0.00 -4.53 1.08 -2.14 0.70 0.00 0.00 175.22 170.34 3hux s PRO 179 N 5.67 0.51 -0.07 0.24 0.02 -1.26 -4.66 135.00 135.45 3hux s PRO 179 Ca 0.95 0.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 3hux s PRO 179 Cb -0.36 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.49 3hux s PRO 179 CO 0.37 -2.79 0.14 -0.06 -0.33 0.00 0.00 177.00 174.33 3hux s PHE 180 N -2.74 -0.15 -1.05 6.54 0.40 -1.26 -3.09 117.98 116.64 3hux s PHE 180 Ca 0.66 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 3hux s PHE 180 Cb -0.21 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.15 3hux s PHE 180 CO 0.59 -0.20 0.59 -2.13 0.70 0.00 0.00 175.22 174.78 3hux n ARG 181 N 4.62 0.00 -0.14 0.44 0.63 -0.86 -4.29 116.66 117.06 3hux n ARG 181 Ca -0.19 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3hux n ARG 181 Cb 0.51 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.84 3hux n ARG 181 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29