#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s ARG 3 N 0.00 0.83 -0.02 -0.72 3.52 -1.26 0.59 118.95 121.89 3hux s ARG 3 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 3hux s ARG 3 Cb 0.00 -0.80 0.03 0.00 -1.56 0.00 0.00 34.95 32.62 3hux s ARG 3 CO 0.00 0.08 0.01 -1.17 -0.81 0.00 0.00 175.30 173.41 3hux s LEU 4 N 0.27 1.18 0.62 -0.88 2.96 -0.12 -4.85 118.68 117.85 3hux s LEU 4 Ca -0.04 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.70 3hux s LEU 4 Cb -0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 3hux s LEU 4 CO 0.00 -0.11 1.16 -0.54 -1.32 0.00 0.00 176.35 175.54 3hux s LYS 5 N 0.97 2.91 0.11 1.98 1.02 -1.26 -2.92 119.74 122.54 3hux s LYS 5 Ca -0.09 1.63 -0.08 0.00 0.02 0.00 0.00 55.97 57.45 3hux s LYS 5 Cb -0.12 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3hux s LYS 5 CO -0.02 -1.21 0.19 0.00 -0.92 0.00 0.00 175.35 173.39 3hux s ALA 6 N -1.91 -0.08 0.07 5.17 0.00 -1.20 -4.61 121.76 119.20 3hux s ALA 6 Ca 0.73 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3hux s ALA 6 Cb -0.26 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3hux s ALA 6 CO 0.35 -0.53 -0.05 0.71 0.00 0.00 0.00 175.76 176.24 3hux s TYR 7 N -3.90 0.68 -0.31 0.00 1.51 -1.14 -4.36 117.35 109.83 3hux s TYR 7 Ca 0.09 -0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 54.96 3hux s TYR 7 Cb 0.05 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 3hux s TYR 7 CO -0.08 -0.23 1.30 0.71 -1.11 0.00 0.00 175.55 176.14 3hux s TYR 8 N -3.34 2.68 -0.12 2.71 1.51 -1.26 -1.94 117.35 117.59 3hux s TYR 8 Ca 0.06 0.86 -0.20 0.00 -1.01 0.00 0.00 57.07 56.78 3hux s TYR 8 Cb 0.04 -3.94 -0.04 0.00 -0.11 0.00 0.00 41.96 37.91 3hux s TYR 8 CO -0.06 -1.69 0.56 0.50 -1.11 0.00 0.00 175.55 173.75 3hux s ARG 9 N 4.21 4.34 -0.16 -0.62 3.52 0.31 -4.94 118.95 125.60 3hux s ARG 9 Ca 0.56 0.59 -0.25 0.00 -0.13 0.00 0.00 55.73 56.50 3hux s ARG 9 Cb -0.16 -3.47 -0.24 0.00 -1.56 0.00 0.00 34.95 29.52 3hux s ARG 9 CO 0.24 0.05 0.55 0.93 -0.81 0.00 0.00 175.30 176.25 3hux h GLU 10 N 6.91 0.04 0.00 5.12 3.07 -1.95 -3.38 114.58 124.38 3hux h GLU 10 Ca -0.39 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3hux h GLU 10 Cb 1.18 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3hux h GLU 10 CO 0.76 1.03 0.00 0.41 -1.40 0.00 0.00 179.01 179.81 3hux n GLY 11 N 1.56 0.25 3.23 -3.84 0.00 -1.26 -5.00 105.19 100.14 3hux n GLY 11 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3hux n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hux s GLU 12 N 0.00 3.20 -0.82 1.61 8.01 -1.26 -4.74 118.70 124.69 3hux s GLU 12 Ca 0.00 -0.73 -0.01 0.00 0.01 0.00 0.00 54.97 54.24 3hux s GLU 12 Cb 0.00 -2.73 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 3hux s GLU 12 CO 0.00 -0.13 0.69 1.63 0.01 0.00 0.00 175.26 177.46 3hux n LYS 13 N 4.48 -4.04 0.00 1.61 5.02 -1.26 -4.83 118.16 119.14 3hux n LYS 13 Ca -0.19 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3hux n LYS 13 Cb 0.51 -4.80 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 3hux n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hux n PRO 14 N -3.10 0.00 0.00 1.97 -0.02 -1.26 0.95 135.00 133.54 3hux n PRO 14 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3hux n PRO 14 Cb 0.61 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 3hux n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hux n SER 15 N 0.03 0.04 0.02 2.55 2.88 -1.26 -4.74 113.62 113.14 3hux n SER 15 Ca 0.00 -0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 3hux n SER 15 Cb 0.00 0.16 -0.13 0.00 -0.75 0.00 0.00 64.21 63.49 3hux n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hux h ALA 16 N 0.00 0.54 0.00 -1.46 0.00 0.25 -3.19 119.26 115.39 3hux h ALA 16 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.72 3hux h ALA 16 Cb 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hux h ALA 16 CO 0.00 1.39 -0.01 -0.07 0.00 0.00 0.00 179.25 180.56 3hux h LEU 17 N 0.01 0.00 -0.30 0.00 4.07 -1.79 0.27 115.31 117.57 3hux h LEU 17 Ca -0.16 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.60 3hux h LEU 17 Cb 1.91 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.64 3hux h LEU 17 CO 0.11 0.01 -0.86 0.03 -1.08 0.00 0.00 178.44 176.65 3hux h ARG 18 N 0.00 0.21 -0.09 1.13 3.08 -1.64 2.36 114.38 119.44 3hux h ARG 18 Ca -0.00 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3hux h ARG 18 Cb 0.03 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hux h ARG 18 CO 0.00 0.95 -0.22 0.00 -1.07 0.00 0.00 179.97 179.63 3hux h ARG 19 N 0.12 0.31 0.00 0.04 3.08 -1.00 -2.79 114.38 114.14 3hux h ARG 19 Ca -0.04 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3hux h ARG 19 Cb 1.48 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.56 3hux h ARG 19 CO 0.13 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.85 3hux n ALA 20 N -2.47 1.36 -0.44 0.04 0.00 0.76 -4.79 120.51 114.99 3hux n ALA 20 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hux n ALA 20 Cb 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3hux n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 21 N -0.95 0.77 4.01 0.00 0.00 -0.96 -5.06 105.19 103.01 3hux n GLY 21 Ca 0.02 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3hux n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 22 N -0.64 2.33 -0.19 1.61 3.01 0.79 -2.48 119.74 124.17 3hux s LYS 22 Ca 0.00 -1.25 -0.02 0.00 -1.01 0.00 0.00 55.97 53.69 3hux s LYS 22 Cb 0.00 -2.57 0.06 0.00 -1.01 0.00 0.00 37.83 34.31 3hux s LYS 22 CO 0.00 -0.83 0.01 -1.17 0.51 0.00 0.00 175.35 173.88 3hux s LEU 23 N -4.72 1.36 0.58 3.17 2.96 -0.01 -3.75 118.68 118.27 3hux s LEU 23 Ca 0.60 -0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 3hux s LEU 23 Cb -0.08 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 3hux s LEU 23 CO 0.39 -0.28 1.24 -2.84 -1.32 0.00 0.00 176.35 173.54 3hux s PRO 24 N 1.78 3.01 0.06 0.98 0.02 -1.26 -2.04 135.00 137.56 3hux s PRO 24 Ca -0.01 1.92 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 3hux s PRO 24 Cb -0.17 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.41 3hux s PRO 24 CO -0.07 -1.20 0.97 0.41 -0.33 0.00 0.00 177.00 176.78 3hux n GLY 25 N 0.59 0.49 3.07 0.52 0.00 -1.08 -2.00 105.19 106.78 3hux n GLY 25 Ca 0.13 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 3hux n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s VAL 26 N -2.09 -0.03 -0.15 1.61 0.11 -0.40 -1.83 120.40 117.61 3hux s VAL 26 Ca 0.22 0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 59.31 3hux s VAL 26 Cb -0.01 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3hux s VAL 26 CO 0.02 0.05 0.14 0.00 -3.33 0.00 0.00 175.10 171.97 3hux s MET 27 N 1.06 3.76 0.16 1.54 0.23 -0.84 -0.52 119.30 124.69 3hux s MET 27 Ca -0.08 -0.17 -0.24 0.00 -1.03 0.00 0.00 55.69 54.17 3hux s MET 27 Cb -0.09 -3.29 0.06 0.00 -1.53 0.00 0.00 34.83 29.99 3hux s MET 27 CO -0.07 0.57 0.76 1.52 -2.03 0.00 0.00 175.02 175.77 3hux s TYR 28 N -0.43 -0.33 0.00 3.16 -0.85 0.13 -0.13 117.35 118.90 3hux s TYR 28 Ca 0.12 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.73 3hux s TYR 28 Cb -0.12 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.83 3hux s TYR 28 CO 0.01 -0.88 0.00 0.27 -1.52 0.00 0.00 175.55 173.43 3hux n ASN 29 N -0.39 0.00 0.00 -0.18 6.94 -0.60 -2.81 115.26 118.23 3hux n ASN 29 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 3hux n ASN 29 Cb 0.62 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 3hux n ASN 29 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hux n ARG 30 N 0.00 0.00 -0.11 -3.83 0.00 -1.26 -4.08 116.66 107.38 3hux n ARG 30 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 3hux n ARG 30 Cb 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 32.46 30.81 3hux n ARG 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hux n HIS 31 N -0.17 0.00 -4.70 -0.14 8.25 -1.26 -5.07 115.22 112.13 3hux n HIS 31 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 3hux n HIS 31 Cb 0.00 -0.82 -0.06 0.00 1.12 0.00 0.00 29.99 30.23 3hux n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hux n LEU 32 N -3.58 0.00 0.00 2.41 4.32 -1.26 -5.12 117.00 113.77 3hux n LEU 32 Ca -0.41 -3.01 0.00 0.00 -0.02 0.00 0.00 56.01 52.57 3hux n LEU 32 Cb 0.86 0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.99 3hux n LEU 32 CO 0.12 -0.43 0.00 -3.20 -1.22 0.00 0.00 177.39 172.66 3hux n ASN 33 N -1.30 0.00 -4.08 -1.43 5.15 -1.18 -1.56 115.26 110.87 3hux n ASN 33 Ca -0.20 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.55 3hux n ASN 33 Cb 0.61 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.70 3hux n ASN 33 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hux s ARG 34 N 0.00 1.49 -0.23 1.20 1.81 0.81 -4.96 118.95 119.07 3hux s ARG 34 Ca 0.00 -0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 53.24 3hux s ARG 34 Cb 0.00 -1.31 -0.02 0.00 -0.45 0.00 0.00 34.95 33.17 3hux s ARG 34 CO 0.00 0.17 1.54 0.15 -0.68 0.00 0.00 175.30 176.49 3hux s LYS 35 N 0.16 3.85 0.17 3.54 1.02 -1.26 -1.99 119.74 125.23 3hux s LYS 35 Ca -0.05 1.60 0.01 0.00 0.02 0.00 0.00 55.97 57.55 3hux s LYS 35 Cb -0.11 -3.99 -0.00 0.00 -0.52 0.00 0.00 37.83 33.20 3hux s LYS 35 CO 0.02 -1.22 0.03 1.33 -0.92 0.00 0.00 175.35 174.58 3hux n VAL 36 N 6.30 0.00 -3.34 3.17 0.24 -0.76 0.11 118.33 124.05 3hux n VAL 36 Ca 0.18 -0.88 0.02 0.00 -2.04 0.00 0.00 64.34 61.62 3hux n VAL 36 Cb 0.45 0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 3hux n VAL 36 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3hux s TYR 37 N -1.88 -0.64 0.25 6.34 -0.85 -0.82 -2.64 117.35 117.11 3hux s TYR 37 Ca 0.04 1.02 -0.01 0.00 -0.52 0.00 0.00 57.07 57.59 3hux s TYR 37 Cb 0.00 0.35 0.05 0.00 0.38 0.00 0.00 41.96 42.74 3hux s TYR 37 CO 0.03 -0.32 0.34 1.33 -1.52 0.00 0.00 175.55 175.40 3hux n VAL 38 N 5.03 0.00 -3.52 -3.49 0.24 -0.86 -2.89 118.33 112.84 3hux n VAL 38 Ca -0.08 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 3hux n VAL 38 Cb 0.53 -1.36 -0.08 0.00 -1.47 0.00 0.00 33.84 31.47 3hux n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hux s ASP 39 N -2.35 5.79 0.01 -1.34 -1.08 -1.26 -0.83 116.67 115.62 3hux s ASP 39 Ca 0.22 -1.98 -0.03 0.00 -0.52 0.00 0.00 52.55 50.24 3hux s ASP 39 Cb -0.01 -2.04 -0.01 0.00 -1.46 0.00 0.00 42.92 39.40 3hux s ASP 39 CO 0.15 -0.69 0.13 -0.11 0.52 0.00 0.00 175.17 175.16 3hux n LEU 40 N 4.84 -0.09 0.12 -1.34 0.00 -1.04 0.87 117.00 120.36 3hux n LEU 40 Ca -0.07 0.15 -0.13 0.00 0.00 0.00 0.00 56.01 55.96 3hux n LEU 40 Cb 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 43.42 43.73 3hux n LEU 40 CO 0.43 -0.12 0.68 1.62 0.00 0.00 0.00 177.39 180.01 3hux h VAL 41 N 0.00 0.88 -0.38 1.96 3.04 -1.94 0.75 116.25 120.56 3hux h VAL 41 Ca 0.01 -0.43 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 3hux h VAL 41 Cb 0.03 1.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.41 3hux h VAL 41 CO -0.08 0.10 0.16 -0.08 -1.01 0.00 0.00 177.57 176.66 3hux h GLU 42 N -0.48 0.33 0.09 4.17 4.81 0.10 -1.80 114.58 121.81 3hux h GLU 42 Ca -0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3hux h GLU 42 Cb 0.37 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3hux h GLU 42 CO 0.04 0.22 -0.16 0.35 -0.73 0.00 0.00 179.01 178.73 3hux h PHE 43 N 0.34 -0.42 0.00 0.92 3.04 0.41 -3.01 116.94 118.22 3hux h PHE 43 Ca 0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3hux h PHE 43 Cb 0.11 0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3hux h PHE 43 CO -0.12 -0.24 0.00 -3.47 -2.02 0.00 0.00 178.31 172.46 3hux n ASP 44 N -5.29 0.00 -0.30 0.41 4.64 0.26 -0.66 116.55 115.61 3hux n ASP 44 Ca -0.07 0.97 0.04 0.00 -1.38 0.00 0.00 54.79 54.35 3hux n ASP 44 Cb 0.21 -0.47 0.11 0.00 -1.04 0.00 0.00 41.12 39.92 3hux n ASP 44 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hux n LYS 45 N -2.90 -0.09 0.00 -0.67 5.02 -0.77 -1.02 118.16 117.73 3hux n LYS 45 Ca 0.00 1.31 0.00 0.00 -2.02 0.00 0.00 58.31 57.60 3hux n LYS 45 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 3hux n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hux n VAL 46 N -5.35 0.00 0.03 -0.18 0.31 0.17 -3.13 118.33 110.17 3hux n VAL 46 Ca 0.13 0.84 0.12 0.00 -0.01 0.00 0.00 64.34 65.42 3hux n VAL 46 Cb 0.41 -1.81 0.19 0.00 -0.91 0.00 0.00 33.84 31.72 3hux n VAL 46 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3hux n PHE 47 N -0.36 0.00 0.06 3.52 -0.00 -0.38 0.78 117.46 121.08 3hux n PHE 47 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 3hux n PHE 47 Cb 0.00 -0.11 0.49 0.00 -0.00 0.00 0.00 39.48 39.85 3hux n PHE 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hux h ARG 48 N 0.00 0.39 0.00 -4.13 2.47 -1.02 -0.96 114.38 111.13 3hux h ARG 48 Ca 0.22 -0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.63 3hux h ARG 48 Cb 2.04 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 30.23 3hux h ARG 48 CO -0.00 0.26 -1.95 1.04 0.56 0.00 0.00 179.97 179.87 3hux n GLN 49 N -4.49 0.36 0.17 0.04 6.02 0.23 -4.76 117.38 114.96 3hux n GLN 49 Ca 0.02 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 57.08 3hux n GLN 49 Cb 0.09 -1.12 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 3hux n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hux h ALA 50 N -0.57 -1.02 -0.81 -1.58 0.00 -1.52 -3.46 119.26 110.30 3hux h ALA 50 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hux h ALA 50 Cb 1.39 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3hux h ALA 50 CO -0.25 -1.01 0.00 0.45 0.00 0.00 0.00 179.25 178.44 3hux n SER 51 N -3.69 0.00 -2.57 0.00 2.88 -0.36 -2.04 113.62 107.84 3hux n SER 51 Ca -0.06 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.37 3hux n SER 51 Cb 0.22 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.71 3hux n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3hux n ILE 52 N 0.00 1.63 0.00 2.46 -6.64 -1.26 -4.49 119.36 111.05 3hux n ILE 52 Ca 0.00 -3.48 0.00 0.00 -1.77 0.00 0.00 62.75 57.50 3hux n ILE 52 Cb 0.00 0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.51 3hux n ILE 52 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3hux n HIS 53 N -0.50 0.00 -3.75 4.28 8.25 -0.87 -4.49 115.22 118.15 3hux n HIS 53 Ca 0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.50 3hux n HIS 53 Cb 0.83 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.78 3hux n HIS 53 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hux s HIS 54 N -0.53 -0.03 0.63 4.41 3.76 -1.14 -4.89 115.29 117.49 3hux s HIS 54 Ca 0.00 0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 55.00 3hux s HIS 54 Cb 0.00 -0.22 -0.10 0.00 1.11 0.00 0.00 32.58 33.37 3hux s HIS 54 CO 0.00 -0.13 0.15 0.28 -0.85 0.00 0.00 174.74 174.19 3hux n VAL 55 N 4.36 1.07 -4.40 -0.90 0.31 -1.26 -4.69 118.33 112.82 3hux n VAL 55 Ca -0.24 -0.47 -0.22 0.00 -0.01 0.00 0.00 64.34 63.40 3hux n VAL 55 Cb 0.50 -0.38 -0.10 0.00 -0.91 0.00 0.00 33.84 32.95 3hux n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hux s ILE 56 N -1.90 2.10 -0.21 2.52 -1.09 0.13 -0.45 121.20 122.30 3hux s ILE 56 Ca 0.61 -2.22 -0.01 0.00 -2.23 0.00 0.00 60.65 56.80 3hux s ILE 56 Cb -0.41 -2.11 0.06 0.00 -1.58 0.00 0.00 42.46 38.41 3hux s ILE 56 CO 0.63 -0.42 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.22 3hux s VAL 57 N -2.49 0.96 -0.16 2.92 1.01 0.20 -0.67 120.40 122.16 3hux s VAL 57 Ca 0.24 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 3hux s VAL 57 Cb -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3hux s VAL 57 CO 0.10 -0.16 0.84 -0.76 0.00 0.00 0.00 175.10 175.11 3hux s LEU 58 N 1.66 4.18 -0.86 3.92 1.43 0.20 -0.95 118.68 128.26 3hux s LEU 58 Ca -0.03 1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 3hux s LEU 58 Cb -0.18 -3.24 0.23 0.00 0.03 0.00 0.00 46.19 43.02 3hux s LEU 58 CO -0.07 -0.39 0.81 -1.61 0.23 0.00 0.00 176.35 175.31 3hux s GLU 59 N 2.10 3.65 0.62 1.70 2.02 -1.15 -1.11 118.70 126.53 3hux s GLU 59 Ca 0.39 -2.59 -0.11 0.00 0.02 0.00 0.00 54.97 52.68 3hux s GLU 59 Cb -0.17 -4.41 -0.03 0.00 0.10 0.00 0.00 34.13 29.62 3hux s GLU 59 CO 0.13 -1.28 1.02 -0.51 0.02 0.00 0.00 175.26 174.64 3hux s LEU 60 N -0.09 3.22 0.16 1.80 2.01 -1.03 -3.24 118.68 121.52 3hux s LEU 60 Ca 0.20 1.34 0.17 0.00 0.01 0.00 0.00 54.13 55.85 3hux s LEU 60 Cb -0.10 -4.35 0.76 0.00 0.01 0.00 0.00 46.19 42.51 3hux s LEU 60 CO -0.09 -0.90 1.52 -2.65 1.01 0.00 0.00 176.35 175.24 3hux n PRO 61 N -2.74 0.10 0.00 1.29 -0.02 -1.26 -0.44 135.00 131.93 3hux n PRO 61 Ca 0.06 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3hux n PRO 61 Cb 0.54 -1.73 0.42 0.00 -0.02 0.00 0.00 33.50 32.72 3hux n PRO 61 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hux n ASP 62 N -1.92 0.00 0.00 2.55 8.00 -1.26 -4.72 116.55 119.19 3hux n ASP 62 Ca 0.01 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3hux n ASP 62 Cb 0.14 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3hux n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hux n GLY 63 N -0.01 2.95 3.02 0.44 0.00 0.42 -4.98 105.19 107.02 3hux n GLY 63 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3hux n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hux n GLN 64 N -0.97 -0.05 -3.41 1.61 6.02 -1.23 -4.65 117.38 114.70 3hux n GLN 64 Ca 0.00 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.78 3hux n GLN 64 Cb 0.00 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 3hux n GLN 64 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hux s SER 65 N -1.05 1.88 -0.31 1.08 0.15 -1.24 -2.45 113.70 111.75 3hux s SER 65 Ca 0.39 -1.25 -0.10 0.00 0.70 0.00 0.00 55.95 55.70 3hux s SER 65 Cb -0.07 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 3hux s SER 65 CO 0.76 -0.34 0.16 -0.76 1.20 0.00 0.00 173.24 174.25 3hux s LEU 66 N 1.89 4.16 -0.53 3.45 1.02 -0.27 -4.84 118.68 123.56 3hux s LEU 66 Ca 0.13 -0.52 -0.29 0.00 0.02 0.00 0.00 54.13 53.48 3hux s LEU 66 Cb -0.16 -2.02 0.03 0.00 0.02 0.00 0.00 46.19 44.06 3hux s LEU 66 CO -0.20 -0.20 1.22 -2.16 0.02 0.00 0.00 176.35 175.03 3hux s PRO 67 N 1.63 3.57 0.20 1.29 0.04 -1.25 -0.63 135.00 139.84 3hux s PRO 67 Ca 0.05 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.54 3hux s PRO 67 Cb -0.17 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 3hux s PRO 67 CO 0.07 -1.60 0.06 0.95 0.04 0.00 0.00 177.00 176.52 3hux s THR 68 N 4.96 0.49 0.20 1.26 -4.23 0.15 -0.59 115.64 117.88 3hux s THR 68 Ca 0.48 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.11 3hux s THR 68 Cb -0.08 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 3hux s THR 68 CO 0.28 -0.25 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.18 3hux s LEU 69 N -3.20 2.69 -0.29 4.79 1.43 0.08 -0.69 118.68 123.48 3hux s LEU 69 Ca 0.30 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 3hux s LEU 69 Cb 0.07 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3hux s LEU 69 CO 0.08 0.10 0.72 -0.69 0.23 0.00 0.00 176.35 176.78 3hux s VAL 70 N -1.82 4.87 -0.05 -1.59 1.01 -1.26 0.20 120.40 121.76 3hux s VAL 70 Ca 0.24 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 3hux s VAL 70 Cb -0.08 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 3hux s VAL 70 CO 0.13 -0.15 1.09 0.03 0.00 0.00 0.00 175.10 176.19 3hux h ARG 71 N 8.06 0.10 -2.49 2.72 2.47 -1.84 -3.45 114.38 119.95 3hux h ARG 71 Ca -0.25 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.32 3hux h ARG 71 Cb 1.11 0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 29.28 3hux h ARG 71 CO 0.84 0.77 0.11 1.14 0.56 0.00 0.00 179.97 183.39 3hux s GLN 72 N -3.44 1.06 -0.03 0.04 -2.07 -1.26 -5.03 119.66 108.93 3hux s GLN 72 Ca -0.16 -0.05 0.02 0.00 -1.82 0.00 0.00 55.36 53.34 3hux s GLN 72 Cb 0.01 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.43 3hux s GLN 72 CO 0.71 -0.37 -0.06 0.08 -1.32 0.00 0.00 175.29 174.33 3hux s VAL 73 N -2.02 0.60 -0.19 3.63 1.01 -1.26 -1.39 120.40 120.77 3hux s VAL 73 Ca -0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3hux s VAL 73 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3hux s VAL 73 CO 0.02 0.21 0.07 0.20 0.00 0.00 0.00 175.10 175.61 3hux s ASN 74 N 0.47 5.72 0.01 3.32 -0.87 -0.03 -4.98 114.94 118.58 3hux s ASN 74 Ca -0.06 0.10 -0.06 0.00 -1.57 0.00 0.00 52.86 51.26 3hux s ASN 74 Cb -0.10 -1.99 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 3hux s ASN 74 CO 0.00 0.17 0.27 -0.76 -2.57 0.00 0.00 177.10 174.21 3hux s LEU 75 N 0.41 4.36 -0.40 0.60 2.01 -1.26 -0.48 118.68 123.92 3hux s LEU 75 Ca 0.04 0.54 -0.27 0.00 0.01 0.00 0.00 54.13 54.45 3hux s LEU 75 Cb -0.12 -2.71 0.02 0.00 0.01 0.00 0.00 46.19 43.39 3hux s LEU 75 CO -0.00 0.24 0.99 -0.62 1.01 0.00 0.00 176.35 177.97 3hux s ASP 76 N -1.76 6.68 0.58 2.29 2.15 -1.20 -4.87 116.67 120.53 3hux s ASP 76 Ca 0.28 0.55 0.29 0.00 0.43 0.00 0.00 52.55 54.10 3hux s ASP 76 Cb -0.13 -2.49 1.50 0.00 -0.30 0.00 0.00 42.92 41.50 3hux s ASP 76 CO 0.17 -0.97 1.94 0.11 -0.17 0.00 0.00 175.17 176.25 3hux h LYS 77 N 8.66 0.00 -2.40 4.34 1.79 -1.93 1.33 116.57 128.37 3hux h LYS 77 Ca -0.23 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.56 3hux h LYS 77 Cb 1.07 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.57 3hux h LYS 77 CO 1.02 0.00 1.70 0.54 -1.08 0.00 0.00 179.45 181.63 3hux n ARG 78 N -3.81 3.99 0.00 3.15 5.12 -1.26 -4.18 116.66 119.67 3hux n ARG 78 Ca 0.08 -3.23 0.00 0.00 -1.93 0.00 0.00 57.85 52.77 3hux n ARG 78 Cb 0.62 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 3hux n ARG 78 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hux n ARG 79 N 1.29 0.00 0.00 5.56 5.12 -1.13 -4.85 116.66 122.65 3hux n ARG 79 Ca 0.57 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 3hux n ARG 79 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 3hux n ARG 79 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hux n ARG 80 N 0.00 0.00 -0.11 5.56 1.85 0.46 -4.78 116.66 119.64 3hux n ARG 80 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 3hux n ARG 80 Cb 0.00 -1.74 -0.01 0.00 -1.05 0.00 0.00 32.46 29.66 3hux n ARG 80 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3hux n ARG 81 N -0.12 0.00 -1.57 2.89 0.63 -1.26 -3.26 116.66 113.97 3hux n ARG 81 Ca 0.00 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 3hux n ARG 81 Cb 0.00 -0.11 -0.04 0.00 0.45 0.00 0.00 32.46 32.76 3hux n ARG 81 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3hux n PRO 82 N 0.62 1.07 -0.00 -0.14 -0.04 -1.26 -3.38 135.00 131.86 3hux n PRO 82 Ca 0.05 0.38 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 3hux n PRO 82 Cb 0.00 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 3hux n PRO 82 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hux n GLU 83 N 1.59 1.99 -3.64 0.54 1.02 0.36 -4.90 120.64 117.61 3hux n GLU 83 Ca 0.15 -0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3hux n GLU 83 Cb 0.25 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.50 3hux n GLU 83 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3hux s HIS 84 N -2.30 -0.68 -0.01 -0.32 5.04 -1.16 -4.24 115.29 111.62 3hux s HIS 84 Ca -0.00 1.48 0.07 0.00 -1.54 0.00 0.00 55.06 55.08 3hux s HIS 84 Cb 0.07 0.40 -0.02 0.00 0.04 0.00 0.00 32.58 33.07 3hux s HIS 84 CO 0.39 -0.33 -0.24 0.14 -2.34 0.00 0.00 174.74 172.36 3hux s VAL 85 N 0.90 2.26 -0.10 0.89 -7.23 -0.85 -0.85 120.40 115.41 3hux s VAL 85 Ca -0.04 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 3hux s VAL 85 Cb -0.05 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3hux s VAL 85 CO -0.11 0.54 -0.01 -1.81 -0.31 0.00 0.00 175.10 173.41 3hux s ASP 86 N -0.75 5.14 -0.16 4.85 1.11 -0.49 -1.28 116.67 125.09 3hux s ASP 86 Ca 0.11 0.08 0.01 0.00 0.18 0.00 0.00 52.55 52.92 3hux s ASP 86 Cb -0.10 -1.54 0.02 0.00 1.07 0.00 0.00 42.92 42.38 3hux s ASP 86 CO -0.00 0.33 -0.16 -0.36 1.18 0.00 0.00 175.17 176.16 3hux s PHE 87 N -0.57 2.40 -0.50 4.23 2.99 0.32 -2.50 117.98 124.36 3hux s PHE 87 Ca 0.09 -1.40 -0.19 0.00 0.00 0.00 0.00 56.93 55.44 3hux s PHE 87 Cb -0.12 -1.71 0.06 0.00 0.00 0.00 0.00 43.02 41.25 3hux s PHE 87 CO 0.02 -0.72 0.60 0.12 -0.00 0.00 0.00 175.22 175.24 3hux s PHE 88 N 1.41 3.07 -0.49 0.36 5.99 0.52 -0.69 117.98 128.15 3hux s PHE 88 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 56.93 56.16 3hux s PHE 88 Cb -0.13 -3.50 -0.06 0.00 0.00 0.00 0.00 43.02 39.33 3hux s PHE 88 CO -0.11 -1.01 2.33 0.08 -0.00 0.00 0.00 175.22 176.51 3hux s VAL 89 N 2.55 3.05 0.42 3.12 1.01 -1.12 -0.74 120.40 128.69 3hux s VAL 89 Ca 0.14 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 3hux s VAL 89 Cb -0.19 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 3hux s VAL 89 CO 0.12 -0.12 1.33 0.18 0.00 0.00 0.00 175.10 176.60 3hux n LEU 90 N 15.35 4.37 0.00 3.92 4.32 0.24 -4.82 117.00 140.38 3hux n LEU 90 Ca 0.34 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 57.46 3hux n LEU 90 Cb 0.54 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 3hux n LEU 90 CO 0.71 -0.45 0.00 -0.24 -1.22 0.00 0.00 177.39 176.19 3hux n SER 91 N 0.13 0.28 -2.58 -1.43 2.88 -1.26 -4.83 113.62 106.81 3hux n SER 91 Ca 0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 3hux n SER 91 Cb 0.40 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 3hux n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hux n ASP 92 N 0.00 5.36 -4.32 -3.46 5.68 -1.26 -4.63 116.55 113.93 3hux n ASP 92 Ca 0.00 -3.75 -0.16 0.00 -0.50 0.00 0.00 54.79 50.38 3hux n ASP 92 Cb 0.00 -0.60 -0.10 0.00 -1.14 0.00 0.00 41.12 39.28 3hux n ASP 92 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3hux s GLU 93 N -3.66 1.39 0.00 0.11 1.03 -1.26 -4.97 118.70 111.33 3hux s GLU 93 Ca 0.49 -1.74 0.00 0.00 0.03 0.00 0.00 54.97 53.75 3hux s GLU 93 Cb 0.41 -0.33 0.00 0.00 -0.80 0.00 0.00 34.13 33.41 3hux s GLU 93 CO -0.24 -0.25 0.01 -2.30 -1.33 0.00 0.00 175.26 171.14 3hux n PRO 94 N -0.45 0.01 0.00 -4.83 -0.02 -1.25 -3.99 135.00 124.47 3hux n PRO 94 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3hux n PRO 94 Cb 0.66 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3hux n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hux n VAL 95 N -0.19 0.00 -1.71 -1.45 0.31 -1.16 -1.22 118.33 112.91 3hux n VAL 95 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3hux n VAL 95 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3hux n VAL 95 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hux n GLU 96 N 0.00 1.33 -3.88 5.55 1.02 -1.26 -3.95 120.64 119.44 3hux n GLU 96 Ca 0.00 0.50 -0.04 0.00 -0.02 0.00 0.00 57.16 57.60 3hux n GLU 96 Cb 0.00 -2.45 0.02 0.00 -0.02 0.00 0.00 31.44 28.99 3hux n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hux s MET 97 N -2.97 1.49 -0.12 3.49 0.23 0.16 -4.94 119.30 116.64 3hux s MET 97 Ca 0.76 -0.97 -0.05 0.00 -1.03 0.00 0.00 55.69 54.39 3hux s MET 97 Cb -0.41 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 3hux s MET 97 CO 0.46 -0.70 0.07 0.71 -2.03 0.00 0.00 175.02 173.53 3hux s TYR 98 N -2.08 3.35 -0.09 3.16 2.02 -1.25 0.15 117.35 122.60 3hux s TYR 98 Ca 0.22 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 3hux s TYR 98 Cb -0.03 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3hux s TYR 98 CO 0.07 0.48 -0.09 0.08 -1.57 0.00 0.00 175.55 174.52 3hux s VAL 99 N -0.60 1.03 0.13 0.71 1.01 0.31 -4.57 120.40 118.42 3hux s VAL 99 Ca 0.11 -0.33 -0.35 0.00 0.00 0.00 0.00 61.98 61.41 3hux s VAL 99 Cb -0.12 -1.01 -0.16 0.00 0.00 0.00 0.00 36.38 35.09 3hux s VAL 99 CO 0.02 0.36 1.24 -2.65 0.00 0.00 0.00 175.10 174.07 3hux n PRO 100 N 4.56 1.14 -4.09 2.72 -0.02 -1.26 -2.10 135.00 135.96 3hux n PRO 100 Ca -0.16 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 3hux n PRO 100 Cb 0.51 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 3hux n PRO 100 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hux s LEU 101 N 0.58 3.25 -0.49 2.45 1.02 -0.59 -1.87 118.68 123.03 3hux s LEU 101 Ca 0.79 -0.20 -0.11 0.00 0.02 0.00 0.00 54.13 54.62 3hux s LEU 101 Cb -0.90 -1.82 0.12 0.00 0.02 0.00 0.00 46.19 43.60 3hux s LEU 101 CO 0.50 0.07 0.38 -0.13 0.02 0.00 0.00 176.35 177.19 3hux s ARG 102 N 0.96 2.65 -0.76 1.70 0.52 -1.12 -4.75 118.95 118.15 3hux s ARG 102 Ca 0.01 -1.71 -0.26 0.00 -0.52 0.00 0.00 55.73 53.25 3hux s ARG 102 Cb -0.14 -4.03 0.02 0.00 0.52 0.00 0.00 34.95 31.32 3hux s ARG 102 CO 0.02 -1.21 1.40 -0.06 0.02 0.00 0.00 175.30 175.47 3hux s PHE 103 N 1.44 2.21 -0.14 -0.53 0.08 -1.26 -2.53 117.98 117.25 3hux s PHE 103 Ca 0.05 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 3hux s PHE 103 Cb -0.27 -4.55 -0.05 0.00 -0.57 0.00 0.00 43.02 37.59 3hux s PHE 103 CO 0.01 -2.09 0.26 0.54 -0.10 0.00 0.00 175.22 173.84 3hux s VAL 104 N 6.22 5.32 0.00 -0.44 0.11 -1.06 -4.92 120.40 125.63 3hux s VAL 104 Ca 0.42 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 3hux s VAL 104 Cb -0.08 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 3hux s VAL 104 CO 0.12 0.45 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 3hux n GLY 105 N 3.05 1.87 3.65 6.54 0.00 -1.26 -3.25 105.19 115.78 3hux n GLY 105 Ca -0.14 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3hux n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hux s THR 106 N 0.00 4.78 0.91 2.61 -4.23 -1.26 -3.11 115.64 115.35 3hux s THR 106 Ca 0.00 1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 62.12 3hux s THR 106 Cb 0.00 -4.18 0.14 0.00 1.34 0.00 0.00 72.50 69.80 3hux s THR 106 CO 0.00 -0.11 1.13 -2.16 -0.54 0.00 0.00 174.62 172.94 3hux s PRO 107 N 2.96 1.03 0.46 3.99 0.04 -1.24 -4.58 135.00 137.66 3hux s PRO 107 Ca 0.38 1.45 0.25 0.00 0.04 0.00 0.00 61.00 63.11 3hux s PRO 107 Cb -0.15 -1.74 1.27 0.00 0.04 0.00 0.00 34.50 33.92 3hux s PRO 107 CO 0.07 -2.59 1.81 0.00 0.04 0.00 0.00 177.00 176.33 3hux h ALA 108 N -1.83 2.55 -0.14 8.56 0.00 0.62 -3.27 119.26 125.73 3hux h ALA 108 Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3hux h ALA 108 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hux h ALA 108 CO 0.43 -0.89 0.05 0.20 0.00 0.00 0.00 179.25 179.04 3hux s GLY 109 N -3.92 -1.11 0.00 0.00 0.00 -1.12 -0.37 107.32 100.80 3hux s GLY 109 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.27 3hux s GLY 109 CO 0.79 4.29 0.00 1.55 0.00 0.00 0.00 173.10 179.74 3hux n VAL 110 N 9.02 0.00 0.00 1.40 3.14 -0.98 -4.13 118.33 126.78 3hux n VAL 110 Ca 0.42 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.80 3hux n VAL 110 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3hux n VAL 110 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3hux n ARG 111 N 0.00 0.00 -0.99 1.45 0.00 0.50 -4.00 116.66 113.62 3hux n ARG 111 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 3hux n ARG 111 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 32.46 32.09 3hux n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hux n ALA 112 N -2.95 5.44 0.00 5.13 0.00 -1.26 -4.90 120.51 121.96 3hux n ALA 112 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.68 3hux n ALA 112 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3hux n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 113 N 0.95 1.21 0.00 0.00 0.00 -1.26 -5.04 105.19 101.04 3hux n GLY 113 Ca 0.32 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3hux n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 114 N 1.44 4.39 3.44 -0.02 0.00 -1.26 -2.33 105.19 110.86 3hux n GLY 114 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 3hux n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hux s VAL 115 N -1.93 -0.30 -0.21 1.61 1.01 -0.60 -4.58 120.40 115.40 3hux s VAL 115 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 3hux s VAL 115 Cb 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 3hux s VAL 115 CO 0.00 0.03 0.89 -0.22 0.00 0.00 0.00 175.10 175.80 3hux s LEU 116 N 1.97 4.12 -0.56 3.92 0.20 -1.26 0.11 118.68 127.17 3hux s LEU 116 Ca -0.07 1.19 -0.18 0.00 0.69 0.00 0.00 54.13 55.75 3hux s LEU 116 Cb -0.09 -3.31 0.09 0.00 -0.43 0.00 0.00 46.19 42.46 3hux s LEU 116 CO -0.16 -0.52 0.65 -1.58 -0.29 0.00 0.00 176.35 174.45 3hux s GLN 117 N 2.70 3.05 -0.78 1.98 0.74 0.88 -4.92 119.66 123.31 3hux s GLN 117 Ca 0.39 -1.27 -0.06 0.00 0.05 0.00 0.00 55.36 54.47 3hux s GLN 117 Cb -0.16 -4.22 -0.09 0.00 1.10 0.00 0.00 33.01 29.63 3hux s GLN 117 CO 0.09 -1.42 2.39 -0.85 -0.55 0.00 0.00 175.29 174.95 3hux n GLU 118 N 6.12 2.15 -1.53 1.67 0.28 -1.26 -2.21 120.64 125.87 3hux n GLU 118 Ca -0.09 -1.36 -0.38 0.00 -0.16 0.00 0.00 57.16 55.17 3hux n GLU 118 Cb 0.43 -2.34 -0.08 0.00 1.43 0.00 0.00 31.44 30.88 3hux n GLU 118 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3hux n ILE 119 N 3.66 -0.05 -0.50 3.84 5.41 -1.22 -3.43 119.36 127.07 3hux n ILE 119 Ca 0.46 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3hux n ILE 119 Cb 0.28 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 3hux n ILE 119 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3hux n HIS 120 N 13.81 0.00 0.24 1.39 -0.00 -1.26 -3.66 115.22 125.74 3hux n HIS 120 Ca 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.07 3hux n HIS 120 Cb 0.34 -0.50 -0.07 0.00 -0.00 0.00 0.00 29.99 29.76 3hux n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hux h ARG 121 N 0.00 -0.73 0.00 1.57 3.08 -1.86 -3.45 114.38 112.98 3hux h ARG 121 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hux h ARG 121 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hux h ARG 121 CO 0.00 -0.49 0.00 -0.40 -1.07 0.00 0.00 179.97 178.01 3hux n ASP 122 N -4.56 0.00 -3.60 7.04 5.68 -1.26 -1.55 116.55 118.30 3hux n ASP 122 Ca -0.09 -0.04 -0.08 0.00 -0.50 0.00 0.00 54.79 54.08 3hux n ASP 122 Cb 0.34 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 3hux n ASP 122 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3hux s ILE 123 N 1.35 0.00 0.40 2.12 2.07 -0.89 -4.73 121.20 121.52 3hux s ILE 123 Ca 0.00 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 3hux s ILE 123 Cb 0.00 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.50 3hux s ILE 123 CO 0.00 0.00 1.01 -0.22 -1.91 0.00 0.00 174.94 173.82 3hux s LEU 124 N -1.14 4.11 0.00 8.50 2.96 -1.24 0.12 118.68 131.98 3hux s LEU 124 Ca 0.02 1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.58 3hux s LEU 124 Cb -0.01 -4.26 0.08 0.00 0.50 0.00 0.00 46.19 42.50 3hux s LEU 124 CO -0.02 -0.43 0.69 0.54 -1.32 0.00 0.00 176.35 175.81 3hux s VAL 125 N -1.77 0.00 -0.26 1.68 0.11 0.41 -2.43 120.40 118.14 3hux s VAL 125 Ca 0.58 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.56 3hux s VAL 125 Cb -0.19 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3hux s VAL 125 CO 0.24 0.00 0.07 -0.75 -3.33 0.00 0.00 175.10 171.32 3hux s LYS 126 N -1.97 3.44 0.21 1.54 2.20 0.47 0.38 119.74 126.01 3hux s LYS 126 Ca -0.06 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 3hux s LYS 126 Cb -0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3hux s LYS 126 CO 0.02 -0.28 0.45 0.54 -0.36 0.00 0.00 175.35 175.72 3hux s VAL 127 N 1.57 0.02 0.21 4.02 0.11 -0.36 0.13 120.40 126.10 3hux s VAL 127 Ca 0.05 -1.22 -0.14 0.00 -2.93 0.00 0.00 61.98 57.75 3hux s VAL 127 Cb -0.16 -1.94 -0.08 0.00 -1.53 0.00 0.00 36.38 32.68 3hux s VAL 127 CO 0.03 -0.10 0.61 -0.55 -3.33 0.00 0.00 175.10 171.75 3hux s SER 128 N -2.96 6.80 0.33 3.54 0.15 -1.26 -2.99 113.70 117.30 3hux s SER 128 Ca 0.17 1.12 0.11 0.00 0.70 0.00 0.00 55.95 58.05 3hux s SER 128 Cb -0.00 -2.31 0.58 0.00 -1.71 0.00 0.00 66.02 62.59 3hux s SER 128 CO 0.04 -0.00 1.20 -2.65 1.20 0.00 0.00 173.24 173.02 3hux n PRO 129 N 0.35 0.08 -0.07 5.44 -0.02 -1.26 -2.23 135.00 137.30 3hux n PRO 129 Ca -0.02 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 3hux n PRO 129 Cb 0.52 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3hux n PRO 129 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hux n ARG 130 N -2.00 0.42 0.00 -0.52 3.00 -1.26 -4.20 116.66 112.10 3hux n ARG 130 Ca -0.01 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.31 3hux n ARG 130 Cb 0.40 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.27 3hux n ARG 130 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3hux n ASN 131 N -4.42 0.38 -4.58 0.55 6.94 -0.99 -4.82 115.26 108.32 3hux n ASN 131 Ca -0.07 -1.18 -0.45 0.00 -0.02 0.00 0.00 54.58 52.85 3hux n ASN 131 Cb 0.27 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3hux n ASN 131 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3hux n ILE 132 N -0.05 0.38 -0.43 1.53 5.41 -0.95 -4.62 119.36 120.63 3hux n ILE 132 Ca 0.00 -0.34 -0.25 0.00 1.00 0.00 0.00 62.75 63.17 3hux n ILE 132 Cb 0.09 -2.24 0.23 0.00 -0.71 0.00 0.00 39.64 37.01 3hux n ILE 132 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hux n PRO 133 N 8.24 -3.84 -0.03 0.38 -0.04 -1.26 -4.97 135.00 133.48 3hux n PRO 133 Ca 0.31 -1.26 -0.01 0.00 -0.04 0.00 0.00 63.50 62.49 3hux n PRO 133 Cb 0.37 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3hux n PRO 133 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hux n GLU 134 N -4.82 1.75 -1.47 0.54 2.13 -1.26 -5.01 120.64 112.50 3hux n GLU 134 Ca 0.12 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3hux n GLU 134 Cb 0.48 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.98 3hux n GLU 134 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3hux n PHE 135 N -2.12 -0.16 -3.16 4.31 1.16 -1.26 -4.63 117.46 111.60 3hux n PHE 135 Ca -0.09 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.52 3hux n PHE 135 Cb 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 3hux n PHE 135 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hux s ILE 136 N -2.19 -0.98 0.72 1.97 1.01 -0.78 -4.94 121.20 116.00 3hux s ILE 136 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 3hux s ILE 136 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.51 3hux s ILE 136 CO 0.00 -0.01 1.12 -1.83 0.00 0.00 0.00 174.94 174.22 3hux s GLU 137 N 2.83 2.41 -0.11 2.79 -1.05 -1.26 -2.81 118.70 121.50 3hux s GLU 137 Ca 0.14 1.40 -0.05 0.00 -0.15 0.00 0.00 54.97 56.32 3hux s GLU 137 Cb -0.12 -1.90 0.05 0.00 -0.44 0.00 0.00 34.13 31.72 3hux s GLU 137 CO -0.24 -1.56 0.24 0.08 0.95 0.00 0.00 175.26 174.72 3hux s VAL 138 N -2.46 -0.23 -1.10 1.83 1.01 -1.05 -4.55 120.40 113.86 3hux s VAL 138 Ca 0.67 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 3hux s VAL 138 Cb -0.21 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 3hux s VAL 138 CO 0.47 0.10 2.24 -0.90 0.00 0.00 0.00 175.10 177.01 3hux n ASP 139 N 4.84 4.90 0.06 3.32 3.85 -1.26 -2.55 116.55 129.71 3hux n ASP 139 Ca -0.15 -2.54 0.05 0.00 -0.71 0.00 0.00 54.79 51.45 3hux n ASP 139 Cb 0.51 -1.27 0.26 0.00 -1.35 0.00 0.00 41.12 39.27 3hux n ASP 139 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hux n VAL 140 N 4.68 1.47 -0.30 2.12 3.14 -1.20 -3.35 118.33 124.89 3hux n VAL 140 Ca 0.53 0.51 -0.01 0.00 -2.96 0.00 0.00 64.34 62.42 3hux n VAL 140 Cb 0.26 -1.47 0.06 0.00 -1.06 0.00 0.00 33.84 31.62 3hux n VAL 140 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3hux h SER 141 N 0.00 -1.12 -0.84 6.55 4.64 -1.69 -2.78 113.55 118.31 3hux h SER 141 Ca 0.00 0.27 -0.71 0.00 -0.47 0.00 0.00 61.79 60.88 3hux h SER 141 Cb 0.07 0.62 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 3hux h SER 141 CO 0.00 -0.29 2.37 0.61 -0.87 0.00 0.00 176.83 178.65 3hux n GLY 142 N -1.49 3.66 3.08 -0.77 0.00 -1.21 -3.11 105.19 105.34 3hux n GLY 142 Ca 0.09 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 3hux n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hux s LEU 143 N 2.47 1.60 0.08 0.99 2.01 -1.05 -4.97 118.68 119.82 3hux s LEU 143 Ca 0.48 -0.13 0.04 0.00 0.01 0.00 0.00 54.13 54.53 3hux s LEU 143 Cb 0.07 0.58 -0.03 0.00 0.01 0.00 0.00 46.19 46.82 3hux s LEU 143 CO -0.00 -0.30 -0.11 -0.70 1.01 0.00 0.00 176.35 176.25 3hux s GLU 144 N -1.09 0.80 0.33 1.70 -6.30 -1.26 0.93 118.70 113.81 3hux s GLU 144 Ca -0.12 -1.04 0.11 0.00 -2.50 0.00 0.00 54.97 51.42 3hux s GLU 144 Cb -0.06 -0.59 1.00 0.00 0.00 0.00 0.00 34.13 34.47 3hux s GLU 144 CO 0.01 0.11 1.65 -0.84 0.02 0.00 0.00 175.26 176.21 3hux h ILE 145 N 3.90 0.26 -1.03 -3.70 3.07 -1.90 0.11 117.51 118.22 3hux h ILE 145 Ca -0.38 -0.09 -0.63 0.00 1.55 0.00 0.00 64.86 65.31 3hux h ILE 145 Cb 1.19 -0.01 -0.13 0.00 -0.27 0.00 0.00 36.82 37.60 3hux h ILE 145 CO 0.47 0.05 1.66 0.61 -1.05 0.00 0.00 178.15 179.89 3hux n GLY 146 N -1.32 4.78 3.50 0.16 0.00 -1.26 -4.45 105.19 106.60 3hux n GLY 146 Ca 0.29 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 3hux n GLY 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hux s ASP 147 N 0.51 -0.39 -0.13 1.61 -1.08 0.37 -5.12 116.67 112.44 3hux s ASP 147 Ca 0.57 0.01 -0.30 0.00 -0.52 0.00 0.00 52.55 52.31 3hux s ASP 147 Cb 0.26 0.41 0.12 0.00 -1.46 0.00 0.00 42.92 42.24 3hux s ASP 147 CO -0.14 -0.65 0.94 -0.94 0.52 0.00 0.00 175.17 174.90 3hux s SER 148 N -2.49 -0.42 0.14 -0.34 1.04 -1.26 -3.14 113.70 107.23 3hux s SER 148 Ca 0.04 0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.99 3hux s SER 148 Cb -0.01 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3hux s SER 148 CO -0.09 -0.40 -0.22 -1.48 0.98 0.00 0.00 173.24 172.02 3hux s LEU 149 N -1.22 2.35 0.00 2.42 -0.00 -0.80 -5.00 118.68 116.44 3hux s LEU 149 Ca -0.03 -0.76 0.00 0.00 -0.00 0.00 0.00 54.13 53.34 3hux s LEU 149 Cb -0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 46.19 45.18 3hux s LEU 149 CO 0.02 0.08 0.00 0.00 -0.00 0.00 0.00 176.35 176.46 3hux n HIS 150 N 0.76 0.00 0.00 3.48 1.44 -1.26 -1.99 115.22 117.65 3hux n HIS 150 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 3hux n HIS 150 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 3hux n HIS 150 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hux n ALA 151 N -2.08 0.00 1.29 1.59 0.00 -1.26 -4.00 120.51 116.06 3hux n ALA 151 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3hux n ALA 151 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 3hux n ALA 151 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hux n SER 152 N 0.00 0.64 -4.42 0.00 2.88 -1.26 -4.41 113.62 107.05 3hux n SER 152 Ca 0.00 -0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 56.81 3hux n SER 152 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 3hux n SER 152 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hux n ASP 153 N -0.93 -0.22 0.00 -3.46 9.92 -1.26 -4.56 116.55 116.04 3hux n ASP 153 Ca 0.12 -1.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 3hux n ASP 153 Cb 0.31 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 3hux n ASP 153 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hux n LEU 154 N 11.41 0.00 -4.68 0.64 4.77 -1.26 -4.81 117.00 123.06 3hux n LEU 154 Ca 0.42 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.98 3hux n LEU 154 Cb 0.36 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3hux n LEU 154 CO 0.73 0.00 0.92 -0.75 -1.33 0.00 0.00 177.39 176.96 3hux s LYS 155 N -1.46 4.34 -1.00 3.23 2.20 -1.26 -4.95 119.74 120.83 3hux s LYS 155 Ca 0.00 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.12 3hux s LYS 155 Cb 0.00 -3.60 0.29 0.00 -1.51 0.00 0.00 37.83 33.01 3hux s LYS 155 CO 0.00 -0.48 1.26 1.28 -0.36 0.00 0.00 175.35 177.04 3hux n LEU 156 N 5.56 5.68 -4.02 5.43 4.77 -1.26 -5.00 117.00 128.17 3hux n LEU 156 Ca 0.11 -5.23 -0.19 0.00 -0.03 0.00 0.00 56.01 50.67 3hux n LEU 156 Cb 0.47 -1.18 0.13 0.00 -2.33 0.00 0.00 43.42 40.50 3hux n LEU 156 CO 0.54 1.70 -0.21 -0.81 -1.33 0.00 0.00 177.39 177.28 3hux n PRO 157 N 1.49 -1.80 -1.67 3.23 -0.04 -1.26 -4.87 135.00 130.07 3hux n PRO 157 Ca 0.26 -0.53 -0.46 0.00 -0.04 0.00 0.00 63.50 62.72 3hux n PRO 157 Cb 0.35 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 3hux n PRO 157 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hux n PRO 158 N -1.12 2.20 0.00 0.54 -0.02 -1.26 -3.49 135.00 131.85 3hux n PRO 158 Ca 0.04 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3hux n PRO 158 Cb 0.38 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3hux n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hux n GLY 159 N 3.79 1.86 3.70 -1.23 0.00 -1.26 -4.89 105.19 107.15 3hux n GLY 159 Ca 0.19 -0.20 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 3hux n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hux n VAL 160 N 0.00 0.32 -3.98 1.61 0.31 -1.23 -4.58 118.33 110.78 3hux n VAL 160 Ca 0.00 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 3hux n VAL 160 Cb 0.00 -1.29 -0.16 0.00 -0.91 0.00 0.00 33.84 31.48 3hux n VAL 160 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hux s GLU 161 N 3.34 1.90 -0.20 5.55 2.12 0.35 -4.64 118.70 127.12 3hux s GLU 161 Ca 0.96 -0.89 -0.42 0.00 0.36 0.00 0.00 54.97 54.98 3hux s GLU 161 Cb -1.00 -2.47 -0.19 0.00 0.26 0.00 0.00 34.13 30.73 3hux s GLU 161 CO 0.62 -0.48 1.39 -0.11 -0.54 0.00 0.00 175.26 176.13 3hux n LEU 162 N 4.68 0.98 -2.72 2.70 -0.00 -1.26 0.18 117.00 121.55 3hux n LEU 162 Ca -0.14 1.15 -0.27 0.00 -0.00 0.00 0.00 56.01 56.75 3hux n LEU 162 Cb 0.46 -0.97 -0.02 0.00 -0.00 0.00 0.00 43.42 42.88 3hux n LEU 162 CO 0.19 -1.21 0.18 0.00 -0.00 0.00 0.00 177.39 176.56 3hux n ALA 163 N 3.06 4.89 -2.10 1.96 0.00 -1.02 -4.67 120.51 122.63 3hux n ALA 163 Ca 0.25 -4.52 0.00 0.00 0.00 0.00 0.00 53.44 49.16 3hux n ALA 163 Cb 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hux n ALA 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hux n VAL 164 N -0.36 0.00 -0.00 0.00 0.31 -1.26 -4.51 118.33 112.50 3hux n VAL 164 Ca 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.68 3hux n VAL 164 Cb 0.52 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3hux n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hux h SER 165 N 0.00 0.00 -3.36 4.52 0.02 -1.94 -3.48 113.55 109.30 3hux h SER 165 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hux h SER 165 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 3hux h SER 165 CO 0.00 0.05 0.04 -2.84 -1.14 0.00 0.00 176.83 172.94 3hux s PRO 166 N -1.07 4.36 0.00 3.45 0.02 -1.26 -5.03 135.00 135.47 3hux s PRO 166 Ca -0.01 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.72 3hux s PRO 166 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3hux s PRO 166 CO 0.01 0.01 0.00 -1.91 -0.33 0.00 0.00 177.00 174.78 3hux n GLU 167 N 4.07 0.00 -2.16 5.54 0.00 -1.26 -4.41 120.64 122.41 3hux n GLU 167 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.70 3hux n GLU 167 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.93 3hux n GLU 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3hux s GLU 168 N 0.00 3.62 0.28 5.31 2.56 -1.26 -4.30 118.70 124.90 3hux s GLU 168 Ca 0.00 1.38 -0.29 0.00 0.00 0.00 0.00 54.97 56.06 3hux s GLU 168 Cb 0.00 -4.07 -0.14 0.00 2.00 0.00 0.00 34.13 31.92 3hux s GLU 168 CO 0.00 -1.51 1.12 2.41 -0.56 0.00 0.00 175.26 176.72 3hux n THR 169 N 6.86 1.73 0.02 -1.70 -1.04 -1.26 -4.28 114.28 114.60 3hux n THR 169 Ca 0.19 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3hux n THR 169 Cb 0.46 -1.12 -0.00 0.00 -1.82 0.00 0.00 70.33 67.85 3hux n THR 169 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3hux n ILE 170 N 0.60 0.00 -3.57 12.58 -5.35 -0.84 -4.67 119.36 118.11 3hux n ILE 170 Ca 0.10 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 3hux n ILE 170 Cb 0.31 0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 39.03 3hux n ILE 170 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hux s ALA 171 N -1.29 -1.87 -0.29 -1.28 0.00 -1.07 -3.41 121.76 112.55 3hux s ALA 171 Ca 0.00 1.55 -0.14 0.00 0.00 0.00 0.00 51.96 53.36 3hux s ALA 171 Cb 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 23.12 22.69 3hux s ALA 171 CO 0.02 -0.32 0.81 0.00 0.00 0.00 0.00 175.76 176.27 3hux s ALA 172 N -0.93 -2.19 -0.24 0.00 0.00 -0.94 -1.90 121.76 115.57 3hux s ALA 172 Ca -0.04 2.28 -0.27 0.00 0.00 0.00 0.00 51.96 53.93 3hux s ALA 172 Cb -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3hux s ALA 172 CO 0.04 -0.63 0.93 0.08 0.00 0.00 0.00 175.76 176.18 3hux s VAL 173 N 2.05 4.76 0.48 0.00 1.01 -1.19 -0.08 120.40 127.44 3hux s VAL 173 Ca -0.07 1.79 0.07 0.00 0.00 0.00 0.00 61.98 63.77 3hux s VAL 173 Cb -0.07 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3hux s VAL 173 CO -0.18 -0.13 0.37 0.68 0.00 0.00 0.00 175.10 175.85 3hux s VAL 174 N 3.02 2.10 0.20 2.92 -7.23 0.30 -4.09 120.40 117.62 3hux s VAL 174 Ca 0.39 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3hux s VAL 174 Cb -0.15 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3hux s VAL 174 CO 0.07 0.00 0.36 -2.16 -0.31 0.00 0.00 175.10 173.06 3hux s PRO 175 N -4.18 3.48 0.18 4.82 0.04 -1.26 -1.56 135.00 136.51 3hux s PRO 175 Ca 0.41 -0.49 -0.03 0.00 0.04 0.00 0.00 61.00 60.93 3hux s PRO 175 Cb -0.02 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.69 3hux s PRO 175 CO 0.24 0.43 0.22 -0.35 0.04 0.00 0.00 177.00 177.58 3hux n PRO 176 N -0.81 -0.50 0.00 0.56 -0.04 -1.26 -4.89 135.00 128.05 3hux n PRO 176 Ca -0.06 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 3hux n PRO 176 Cb 0.54 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 3hux n PRO 176 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hux n GLU 177 N -1.62 0.00 0.00 0.54 -0.58 -1.26 -4.99 120.64 112.73 3hux n GLU 177 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3hux n GLU 177 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 3hux n GLU 177 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hux n ASP 178 N 0.00 0.00 -3.97 1.62 5.75 -1.26 -4.83 116.55 113.87 3hux n ASP 178 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 3hux n ASP 178 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 3hux n ASP 178 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hux s VAL 179 N 0.00 0.53 0.00 2.12 0.11 -1.26 -5.12 120.40 116.78 3hux s VAL 179 Ca 0.00 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 3hux s VAL 179 Cb 0.00 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3hux s VAL 179 CO 0.00 0.17 0.00 -1.84 -3.33 0.00 0.00 175.10 170.10 3hux n GLU 180 N 3.14 0.16 0.00 1.54 0.00 -1.26 -5.14 120.64 119.08 3hux n GLU 180 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 3hux n GLU 180 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 3hux n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hux n LYS 181 N 0.00 0.00 0.00 3.44 5.02 -1.26 -5.01 118.16 120.35 3hux n LYS 181 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hux n LYS 181 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hux n LYS 181 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3hux n LEU 182 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -5.34 117.00 110.05 3hux n LEU 182 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hux n LEU 182 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hux n LEU 182 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39