#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 4.06 -0.61 0.54 3.52 -1.26 -5.04 118.95 120.17 3hux s ARG 3 Ca 0.00 -0.12 -0.07 0.00 -0.13 0.00 0.00 55.73 55.42 3hux s ARG 3 Cb 0.00 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 29.97 3hux s ARG 3 CO 0.00 -0.06 0.46 0.00 -0.81 0.00 0.00 175.30 174.89 3hux s ALA 4 N 1.42 3.60 0.78 6.12 0.00 -1.26 -5.06 121.76 127.37 3hux s ALA 4 Ca 0.11 -3.02 -0.11 0.00 0.00 0.00 0.00 51.96 48.94 3hux s ALA 4 Cb -0.15 -2.87 0.06 0.00 0.00 0.00 0.00 23.12 20.17 3hux s ALA 4 CO 0.07 -2.06 1.09 -1.59 0.00 0.00 0.00 175.76 173.27 3hux s LYS 5 N 0.47 2.19 0.00 0.00 -2.85 -1.26 -4.98 119.74 113.31 3hux s LYS 5 Ca 0.13 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 55.79 3hux s LYS 5 Cb -0.20 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.64 3hux s LYS 5 CO -0.04 -1.55 0.91 2.41 0.10 0.00 0.00 175.35 177.18 3hux n THR 6 N -3.39 0.00 0.00 3.79 -1.04 -1.26 -4.89 114.28 107.48 3hux n THR 6 Ca 0.07 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.49 3hux n THR 6 Cb 0.56 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 3hux n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hux n GLY 7 N -0.92 1.18 0.20 3.41 0.00 -1.26 -3.69 105.19 104.12 3hux n GLY 7 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hux n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hux h VAL 8 N 0.00 1.27 -0.07 1.61 -1.51 -2.03 -3.36 116.25 112.17 3hux h VAL 8 Ca 0.00 -1.32 0.01 0.00 -1.23 0.00 0.00 66.70 64.16 3hux h VAL 8 Cb 0.00 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3hux h VAL 8 CO 0.00 0.39 -0.04 0.52 -1.23 0.00 0.00 177.57 177.21 3hux n VAL 9 N -4.09 -0.05 0.35 7.19 0.31 -1.24 -3.05 118.33 117.75 3hux n VAL 9 Ca -0.01 1.38 -0.18 0.00 -0.01 0.00 0.00 64.34 65.52 3hux n VAL 9 Cb 0.42 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.43 3hux n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3hux h ARG 10 N 0.00 -0.88 -0.96 5.55 2.43 -1.85 -2.83 114.38 115.84 3hux h ARG 10 Ca 0.01 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 3hux h ARG 10 Cb 0.03 0.20 -0.15 0.00 -0.42 0.00 0.00 29.97 29.63 3hux h ARG 10 CO -0.06 -0.59 -0.39 -2.13 -1.51 0.00 0.00 179.97 175.29 3hux n ARG 11 N -5.50 -0.24 0.15 0.20 0.63 -1.22 -1.43 116.66 109.25 3hux n ARG 11 Ca -0.13 1.48 -0.16 0.00 -0.92 0.00 0.00 57.85 58.12 3hux n ARG 11 Cb 0.39 -2.19 -0.09 0.00 0.45 0.00 0.00 32.46 31.02 3hux n ARG 11 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hux h ARG 12 N 0.00 -0.74 -1.04 -0.14 3.08 -1.45 0.19 114.38 114.28 3hux h ARG 12 Ca 0.32 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.68 3hux h ARG 12 Cb 0.56 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.67 3hux h ARG 12 CO -0.95 -0.49 0.65 0.87 -1.07 0.00 0.00 179.97 178.98 3hux h LYS 13 N -0.77 0.43 0.26 0.04 1.57 -1.00 0.23 116.57 117.33 3hux h LYS 13 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hux h LYS 13 Cb 0.75 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3hux h LYS 13 CO -0.22 0.28 -0.12 0.45 -0.57 0.00 0.00 179.45 179.27 3hux h HIS 14 N 0.44 -0.32 0.00 -1.35 3.86 -0.19 -2.88 115.15 114.70 3hux h HIS 14 Ca 0.61 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.82 3hux h HIS 14 Cb 1.46 0.11 0.00 0.00 1.06 0.00 0.00 27.41 30.03 3hux h HIS 14 CO -0.00 0.02 0.00 1.17 0.86 0.00 0.00 177.93 179.98 3hux n LYS 15 N -5.02 0.13 -0.06 2.45 0.00 0.57 -1.77 118.16 114.46 3hux n LYS 15 Ca -0.08 0.18 -0.04 0.00 0.00 0.00 0.00 58.31 58.37 3hux n LYS 15 Cb 0.25 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.76 3hux n LYS 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3hux h LYS 16 N 0.00 0.00 -0.04 1.64 3.64 -0.49 -3.17 116.57 118.16 3hux h LYS 16 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3hux h LYS 16 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hux h LYS 16 CO 0.00 0.15 0.11 0.82 -2.27 0.00 0.00 179.45 178.27 3hux h ILE 17 N -1.00 0.17 0.02 2.00 1.08 -1.16 -1.54 117.51 117.08 3hux h ILE 17 Ca -0.02 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.36 3hux h ILE 17 Cb 0.34 0.90 0.01 0.00 -3.07 0.00 0.00 36.82 34.99 3hux h ILE 17 CO -0.01 0.00 -0.37 -0.07 -0.69 0.00 0.00 178.15 177.01 3hux h LEU 18 N 0.00 0.29 -1.82 1.44 3.38 -1.45 -2.47 115.31 114.68 3hux h LEU 18 Ca 0.02 -0.83 0.33 0.00 0.09 0.00 0.00 57.88 57.49 3hux h LEU 18 Cb 0.24 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3hux h LEU 18 CO -0.00 1.08 0.82 0.11 0.09 0.00 0.00 178.44 180.55 3hux h LYS 19 N -0.47 0.10 0.00 1.13 1.57 -1.24 1.11 116.57 118.76 3hux h LYS 19 Ca -0.05 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3hux h LYS 19 Cb 1.16 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hux h LYS 19 CO 0.07 0.06 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.46 3hux h LEU 20 N 0.10 0.00 0.00 2.94 -0.00 -1.44 -3.14 115.31 113.77 3hux h LEU 20 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.47 3hux h LEU 20 Cb 2.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.79 3hux h LEU 20 CO -0.10 0.48 -0.47 0.00 -0.00 0.00 0.00 178.44 178.35 3hux n ALA 21 N -2.36 3.40 -1.42 1.53 0.00 0.38 -4.96 120.51 117.08 3hux n ALA 21 Ca -0.01 -0.32 -0.56 0.00 0.00 0.00 0.00 53.44 52.55 3hux n ALA 21 Cb 0.55 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 3hux n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hux n LYS 22 N -1.54 0.00 0.00 0.00 4.76 -0.87 -0.64 118.16 119.87 3hux n LYS 22 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3hux n LYS 22 Cb 0.34 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3hux n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hux n GLY 23 N 1.77 1.17 3.75 0.72 0.00 -1.26 -5.06 105.19 106.28 3hux n GLY 23 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3hux n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hux s TYR 24 N -2.28 2.44 0.00 1.61 4.12 0.18 -5.04 117.35 118.38 3hux s TYR 24 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 57.07 58.65 3hux s TYR 24 Cb 0.00 -3.09 0.00 0.00 -1.52 0.00 0.00 41.96 37.35 3hux s TYR 24 CO 0.00 -1.97 0.00 1.87 0.02 0.00 0.00 175.55 175.47 3hux n TRP 25 N -3.64 0.00 0.00 2.71 -0.00 -1.26 -4.49 117.44 110.76 3hux n TRP 25 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 3hux n TRP 25 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 3hux n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hux n GLY 26 N 0.99 0.37 0.34 5.87 0.00 -1.26 -4.60 105.19 106.90 3hux n GLY 26 Ca 0.00 -0.07 0.22 0.00 0.00 0.00 0.00 46.02 46.17 3hux n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hux h LEU 27 N 0.00 0.00 0.00 0.99 -0.00 -1.96 -1.97 115.31 112.37 3hux h LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3hux h LEU 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3hux h LEU 27 CO 0.00 0.00 0.34 0.54 -0.00 0.00 0.00 178.44 179.32 3hux n ARG 28 N -3.10 0.00 0.00 1.13 1.74 -1.26 0.25 116.66 115.42 3hux n ARG 28 Ca -0.03 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hux n ARG 28 Cb 0.12 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 3hux n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hux n SER 29 N -1.00 0.26 0.00 0.55 3.41 -0.74 -4.09 113.62 112.01 3hux n SER 29 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3hux n SER 29 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3hux n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hux n LYS 30 N -0.06 2.52 -3.75 4.33 4.76 0.68 -4.84 118.16 121.80 3hux n LYS 30 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 3hux n LYS 30 Cb 0.43 -0.75 -0.11 0.00 -1.84 0.00 0.00 35.03 32.76 3hux n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3hux s SER 31 N -1.38 5.29 0.00 4.39 0.15 0.89 -4.94 113.70 118.10 3hux s SER 31 Ca 0.00 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 54.75 3hux s SER 31 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 3hux s SER 31 CO 0.00 -0.53 0.33 2.22 1.20 0.00 0.00 173.24 176.46 3hux n PHE 32 N 4.65 0.00 0.13 3.44 -1.74 -1.26 0.19 117.46 122.86 3hux n PHE 32 Ca -0.04 -0.17 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 3hux n PHE 32 Cb 0.42 -0.25 0.00 0.00 1.52 0.00 0.00 39.48 41.16 3hux n PHE 32 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 3hux n ARG 33 N 1.63 0.00 0.22 3.97 0.63 -1.26 -4.65 116.66 117.20 3hux n ARG 33 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 3hux n ARG 33 Cb 0.10 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.26 3hux n ARG 33 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hux h LYS 34 N 0.00 0.00 0.08 -0.14 1.79 -0.30 -3.12 116.57 114.88 3hux h LYS 34 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 3hux h LYS 34 Cb 0.00 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.67 3hux h LYS 34 CO 0.00 0.07 -0.67 0.00 -1.08 0.00 0.00 179.45 177.77 3hux h ALA 35 N 1.93 -0.03 -0.34 3.86 0.00 0.19 -3.12 119.26 121.74 3hux h ALA 35 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3hux h ALA 35 Cb 0.95 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hux h ALA 35 CO 0.01 0.33 0.00 -2.13 0.00 0.00 0.00 179.25 177.46 3hux n ARG 36 N -4.20 0.00 -0.21 0.00 0.63 -1.21 -1.79 116.66 109.87 3hux n ARG 36 Ca -0.12 0.72 0.02 0.00 -0.92 0.00 0.00 57.85 57.54 3hux n ARG 36 Cb 0.74 -1.44 0.06 0.00 0.45 0.00 0.00 32.46 32.27 3hux n ARG 36 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3hux n GLU 37 N -2.35 -0.08 -0.02 -0.14 1.02 -1.18 0.17 120.64 118.06 3hux n GLU 37 Ca 0.00 0.90 -0.15 0.00 -0.02 0.00 0.00 57.16 57.89 3hux n GLU 37 Cb 0.00 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 3hux n GLU 37 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3hux h THR 38 N 0.00 0.02 -0.00 2.62 2.02 -1.28 -2.34 112.91 113.94 3hux h THR 38 Ca 0.25 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.44 3hux h THR 38 Cb 0.39 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3hux h THR 38 CO -0.59 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 174.90 3hux h LEU 39 N -0.56 -1.03 -0.33 2.58 3.38 0.22 0.63 115.31 120.19 3hux h LEU 39 Ca 0.04 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3hux h LEU 39 Cb 0.67 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3hux h LEU 39 CO -0.45 -0.32 -0.16 0.49 0.09 0.00 0.00 178.44 178.09 3hux n PHE 40 N -4.33 -0.05 -0.11 1.13 0.99 -0.73 0.39 117.46 114.75 3hux n PHE 40 Ca -0.05 0.41 -0.12 0.00 -0.00 0.00 0.00 57.45 57.70 3hux n PHE 40 Cb 0.25 -0.59 -0.00 0.00 -1.00 0.00 0.00 39.48 38.14 3hux n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hux h ALA 41 N 0.35 0.63 0.00 4.37 0.00 -0.82 -2.53 119.26 121.26 3hux h ALA 41 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hux h ALA 41 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hux h ALA 41 CO -0.33 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3hux n ALA 42 N -2.54 1.41 -0.06 0.00 0.00 1.25 -1.47 120.51 119.11 3hux n ALA 42 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 3hux n ALA 42 Cb 0.53 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 3hux n ALA 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hux h GLY 43 N 1.31 0.00 0.82 0.00 0.00 0.51 -3.16 103.07 102.55 3hux h GLY 43 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3hux h GLY 43 CO 0.00 0.00 0.47 3.43 0.00 0.00 0.00 176.54 180.44 3hux h ASN 44 N -0.85 0.00 0.21 0.19 -0.26 -1.36 -0.66 115.58 112.85 3hux h ASN 44 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3hux h ASN 44 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 3hux h ASN 44 CO 0.00 0.00 -0.10 1.88 -1.06 0.00 0.00 177.43 178.15 3hux h TYR 45 N 0.00 -0.27 -0.80 1.19 0.99 -1.38 -0.46 116.97 116.23 3hux h TYR 45 Ca 0.21 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.04 3hux h TYR 45 Cb 1.14 0.09 -0.08 0.00 1.00 0.00 0.00 36.73 38.88 3hux h TYR 45 CO 0.00 0.13 0.43 0.00 -0.00 0.00 0.00 178.16 178.72 3hux h ALA 46 N -0.34 1.16 0.12 3.88 0.00 -1.13 0.26 119.26 123.21 3hux h ALA 46 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hux h ALA 46 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hux h ALA 46 CO 0.05 0.00 -0.06 -0.92 0.00 0.00 0.00 179.25 178.32 3hux h TYR 47 N 0.69 -0.15 -1.28 0.00 3.20 -1.32 -0.12 116.97 118.00 3hux h TYR 47 Ca 0.41 -0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.64 3hux h TYR 47 Cb 0.45 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 3hux h TYR 47 CO -0.08 -0.09 1.01 0.00 -1.64 0.00 0.00 178.16 177.36 3hux h ALA 48 N -1.92 3.18 0.00 1.82 0.00 -0.77 0.18 119.26 121.75 3hux h ALA 48 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hux h ALA 48 Cb 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hux h ALA 48 CO 0.03 -1.67 -1.15 0.45 0.00 0.00 0.00 179.25 176.91 3hux h HIS 49 N 0.00 0.00 -0.40 0.00 3.86 -0.30 -2.01 115.15 116.30 3hux h HIS 49 Ca 0.61 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.68 3hux h HIS 49 Cb 2.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 31.09 3hux h HIS 49 CO 0.00 0.36 -0.31 0.00 0.86 0.00 0.00 177.93 178.84 3hux h ARG 50 N 0.00 0.90 0.08 2.45 3.08 0.13 0.41 114.38 121.43 3hux h ARG 50 Ca -0.09 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 3hux h ARG 50 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3hux h ARG 50 CO 0.03 1.07 -0.04 0.87 -1.07 0.00 0.00 179.97 180.83 3hux h LYS 51 N 0.75 -0.11 -0.72 0.04 1.79 -1.54 -2.91 116.57 113.86 3hux h LYS 51 Ca 0.08 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.74 3hux h LYS 51 Cb 0.88 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.42 3hux h LYS 51 CO 0.08 -0.08 -0.03 0.54 -1.08 0.00 0.00 179.45 178.88 3hux n ARG 52 N -2.37 -0.06 -0.32 3.15 5.12 -0.76 -1.12 116.66 120.30 3hux n ARG 52 Ca -0.01 1.10 0.14 0.00 -1.93 0.00 0.00 57.85 57.14 3hux n ARG 52 Cb 0.05 -1.72 0.33 0.00 -1.16 0.00 0.00 32.46 29.96 3hux n ARG 52 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3hux h ARG 53 N 0.00 0.51 0.65 5.56 2.43 0.04 0.50 114.38 124.07 3hux h ARG 53 Ca 0.42 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3hux h ARG 53 Cb 0.81 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3hux h ARG 53 CO -0.70 0.33 -0.31 0.87 -1.51 0.00 0.00 179.97 178.66 3hux h LYS 54 N 0.52 -0.84 0.00 0.20 1.79 -1.17 -1.26 116.57 115.81 3hux h LYS 54 Ca 0.58 0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 59.06 3hux h LYS 54 Cb 1.06 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3hux h LYS 54 CO -0.48 -0.55 -0.21 0.07 -1.08 0.00 0.00 179.45 177.20 3hux h ARG 55 N -0.91 0.00 -0.47 3.15 0.11 -1.58 -1.62 114.38 113.06 3hux h ARG 55 Ca -0.09 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 3hux h ARG 55 Cb 0.68 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 3hux h ARG 55 CO 0.15 0.21 0.08 0.22 0.10 0.00 0.00 179.97 180.73 3hux h ASP 56 N 0.00 0.69 0.18 0.08 3.58 0.53 -3.14 116.42 118.34 3hux h ASP 56 Ca -0.00 -0.13 -0.35 0.00 0.42 0.00 0.00 57.03 56.97 3hux h ASP 56 Cb 0.54 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.41 3hux h ASP 56 CO 0.03 0.71 -1.74 -0.26 -2.88 0.00 0.00 179.24 175.10 3hux h PHE 57 N 0.70 0.70 -0.88 0.28 0.05 -0.71 -3.31 116.94 113.77 3hux h PHE 57 Ca 0.15 -0.51 0.22 0.00 3.82 0.00 0.00 57.97 61.66 3hux h PHE 57 Cb 0.32 -0.03 -0.16 0.00 2.00 0.00 0.00 35.95 38.09 3hux h PHE 57 CO 0.02 1.68 0.03 -0.09 -0.18 0.00 0.00 178.31 179.76 3hux h ARG 58 N 0.07 0.07 -0.46 1.51 2.43 -1.29 0.76 114.38 117.47 3hux h ARG 58 Ca -0.35 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 3hux h ARG 58 Cb 2.07 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.56 3hux h ARG 58 CO 0.17 0.05 0.19 0.00 -1.51 0.00 0.00 179.97 178.86 3hux h ARG 59 N 0.07 0.37 -0.82 0.20 3.08 -1.66 0.11 114.38 115.73 3hux h ARG 59 Ca 0.51 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.67 3hux h ARG 59 Cb 0.98 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.89 3hux h ARG 59 CO -0.79 0.25 0.54 1.25 -1.07 0.00 0.00 179.97 180.14 3hux h LEU 60 N 0.39 0.58 0.14 3.04 7.12 0.38 0.83 115.31 127.78 3hux h LEU 60 Ca 0.21 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 3hux h LEU 60 Cb 0.17 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 3hux h LEU 60 CO -0.19 0.31 -0.07 -0.50 -0.13 0.00 0.00 178.44 177.87 3hux h TRP 61 N 0.62 -0.17 -0.54 1.25 6.55 0.34 -2.07 115.95 121.92 3hux h TRP 61 Ca 0.40 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 60.30 3hux h TRP 61 Cb 0.67 0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 28.94 3hux h TRP 61 CO -0.00 0.20 -0.52 0.82 -1.05 0.00 0.00 178.44 177.88 3hux h ILE 62 N -0.96 0.03 -0.61 1.49 1.08 -0.42 0.40 117.51 118.51 3hux h ILE 62 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 3hux h ILE 62 Cb 0.45 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 3hux h ILE 62 CO 0.03 0.00 0.41 0.58 -0.69 0.00 0.00 178.15 178.48 3hux h VAL 63 N -0.30 0.92 0.00 1.67 2.07 -0.94 0.19 116.25 119.86 3hux h VAL 63 Ca 0.12 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3hux h VAL 63 Cb 0.56 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3hux h VAL 63 CO -0.67 0.09 -0.84 0.03 0.02 0.00 0.00 177.57 176.20 3hux h ARG 64 N 0.47 0.00 0.32 1.57 3.08 -0.42 -2.34 114.38 117.06 3hux h ARG 64 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 3hux h ARG 64 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3hux h ARG 64 CO -0.08 0.84 -0.15 0.82 -1.07 0.00 0.00 179.97 180.32 3hux h ILE 65 N 0.00 0.00 -0.26 2.04 2.04 0.12 -3.32 117.51 118.13 3hux h ILE 65 Ca -0.01 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.59 3hux h ILE 65 Cb 1.54 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3hux h ILE 65 CO 0.11 0.00 -0.10 -1.13 0.00 0.00 0.00 178.15 177.02 3hux h ASN 66 N -0.74 -0.36 0.00 1.72 -0.73 -0.83 0.26 115.58 114.89 3hux h ASN 66 Ca -0.04 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3hux h ASN 66 Cb 0.33 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 3hux h ASN 66 CO 0.07 -0.13 -0.00 0.00 -0.37 0.00 0.00 177.43 177.00 3hux n ALA 67 N -2.58 3.08 0.10 1.57 0.00 -0.88 -1.50 120.51 120.30 3hux n ALA 67 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hux n ALA 67 Cb 0.19 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3hux n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ALA 68 N 1.83 0.71 0.13 0.00 0.00 -0.12 -4.81 120.51 118.26 3hux n ALA 68 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3hux n ALA 68 Cb 0.32 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.19 3hux n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ARG 70 N -2.04 0.99 0.01 0.00 0.63 -0.56 -1.85 116.66 113.83 3hux n ARG 70 Ca -0.01 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.03 3hux n ARG 70 Cb 0.10 -1.08 -0.15 0.00 0.45 0.00 0.00 32.46 31.78 3hux n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3hux n GLN 71 N -0.58 0.64 -0.64 -0.14 6.02 0.48 -4.14 117.38 119.02 3hux n GLN 71 Ca 0.04 -0.15 0.09 0.00 -0.01 0.00 0.00 57.00 56.96 3hux n GLN 71 Cb 0.02 -1.56 0.35 0.00 1.02 0.00 0.00 30.24 30.06 3hux n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hux n HIS 72 N -2.30 1.51 0.00 1.08 8.25 -0.77 -4.99 115.22 117.99 3hux n HIS 72 Ca -0.03 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 3hux n HIS 72 Cb 0.56 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3hux n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hux n GLY 73 N 0.78 2.31 3.87 -1.41 0.00 -1.24 -5.06 105.19 104.44 3hux n GLY 73 Ca 0.25 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3hux n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hux s LEU 74 N 0.00 2.72 0.43 0.99 0.05 -1.26 -4.89 118.68 116.72 3hux s LEU 74 Ca 0.00 1.07 0.08 0.00 0.05 0.00 0.00 54.13 55.33 3hux s LEU 74 Cb 0.00 -3.75 -0.02 0.00 -2.05 0.00 0.00 46.19 40.37 3hux s LEU 74 CO 0.00 -1.62 0.37 0.54 -0.55 0.00 0.00 176.35 175.09 3hux s ASN 75 N -4.32 4.96 0.02 1.48 4.22 -1.26 -3.29 114.94 116.75 3hux s ASN 75 Ca 0.60 -0.82 -0.05 0.00 -2.14 0.00 0.00 52.86 50.45 3hux s ASN 75 Cb -0.12 -0.47 -0.01 0.00 1.28 0.00 0.00 41.25 41.93 3hux s ASN 75 CO 0.52 -0.69 1.08 0.22 -2.04 0.00 0.00 177.10 176.18 3hux h TYR 76 N 1.03 -0.27 -1.06 1.54 3.20 -1.92 0.13 116.97 119.61 3hux h TYR 76 Ca -0.41 0.02 0.39 0.00 3.14 0.00 0.00 58.73 61.87 3hux h TYR 76 Cb 1.27 0.13 -0.16 0.00 1.54 0.00 0.00 36.73 39.51 3hux h TYR 76 CO 0.56 -0.06 0.61 0.66 -1.64 0.00 0.00 178.16 178.29 3hux h SER 77 N -0.02 0.37 0.00 -2.11 4.64 -2.00 0.14 113.55 114.57 3hux h SER 77 Ca 0.02 0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3hux h SER 77 Cb 0.07 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hux h SER 77 CO -0.12 -0.29 -0.15 0.74 -0.87 0.00 0.00 176.83 176.14 3hux h THR 78 N 0.12 1.59 -0.11 2.95 2.02 -1.60 -3.06 112.91 114.82 3hux h THR 78 Ca 0.81 -1.93 0.02 0.00 0.77 0.00 0.00 66.41 66.07 3hux h THR 78 Cb 2.13 2.84 -0.04 0.00 -1.74 0.00 0.00 68.15 71.35 3hux h THR 78 CO -0.65 0.52 -0.28 0.15 0.37 0.00 0.00 175.52 175.62 3hux h PHE 79 N -0.63 -0.86 0.00 3.16 -0.00 0.19 -0.53 116.94 118.27 3hux h PHE 79 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 3hux h PHE 79 Cb 0.93 0.39 -0.01 0.00 -0.00 0.00 0.00 35.95 37.26 3hux h PHE 79 CO 0.19 -0.28 -0.08 0.82 -0.00 0.00 0.00 178.31 178.97 3hux h ILE 80 N -0.27 0.00 -0.72 1.41 1.08 -1.36 1.60 117.51 119.24 3hux h ILE 80 Ca 0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 3hux h ILE 80 Cb 0.34 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.99 3hux h ILE 80 CO -0.25 0.00 -0.38 1.57 -0.69 0.00 0.00 178.15 178.40 3hux n HIS 81 N -2.95 -0.21 0.18 1.37 -0.00 -1.16 0.26 115.22 112.72 3hux n HIS 81 Ca -0.01 0.90 -0.14 0.00 -0.00 0.00 0.00 57.72 58.46 3hux n HIS 81 Cb 0.06 -0.63 -0.08 0.00 -0.00 0.00 0.00 29.99 29.34 3hux n HIS 81 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3hux h GLY 82 N 0.00 -0.40 0.34 1.57 0.00 -0.53 0.29 103.07 104.34 3hux h GLY 82 Ca 0.16 0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.84 3hux h GLY 82 CO -0.69 -0.15 0.59 -2.00 0.00 0.00 0.00 176.54 174.29 3hux h LEU 83 N -0.39 0.38 -0.02 3.11 5.85 0.95 0.89 115.31 126.07 3hux h LEU 83 Ca -0.04 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hux h LEU 83 Cb 0.30 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hux h LEU 83 CO 0.06 0.15 -0.10 0.50 -0.34 0.00 0.00 178.44 178.72 3hux h LYS 84 N 0.38 0.10 0.00 1.25 1.63 0.45 -2.94 116.57 117.45 3hux h LYS 84 Ca 0.46 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.15 3hux h LYS 84 Cb 1.17 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3hux h LYS 84 CO -0.16 0.74 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.24 3hux h LYS 85 N -0.52 0.00 0.00 1.90 3.64 0.61 -1.47 116.57 120.74 3hux h LYS 85 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hux h LYS 85 Cb 0.76 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3hux h LYS 85 CO 0.02 0.12 -0.06 0.00 -2.27 0.00 0.00 179.45 177.27 3hux h ALA 86 N 1.88 1.08 0.00 5.00 0.00 0.93 -3.47 119.26 124.69 3hux h ALA 86 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hux h ALA 86 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hux h ALA 86 CO 0.02 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3hux n GLY 87 N -0.42 2.04 3.67 0.00 0.00 -0.55 -5.04 105.19 104.88 3hux n GLY 87 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3hux n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hux s ILE 88 N -2.47 4.39 -0.28 -0.61 1.01 -1.14 -4.88 121.20 117.21 3hux s ILE 88 Ca 0.00 1.69 0.16 0.00 0.00 0.00 0.00 60.65 62.49 3hux s ILE 88 Cb 0.00 -4.09 0.49 0.00 0.01 0.00 0.00 42.46 38.88 3hux s ILE 88 CO 0.00 -0.09 1.39 -1.84 0.00 0.00 0.00 174.94 174.40 3hux n GLU 89 N 5.99 2.90 0.00 2.79 0.28 -1.26 -4.50 120.64 126.83 3hux n GLU 89 Ca 0.12 -2.73 0.00 0.00 -0.16 0.00 0.00 57.16 54.40 3hux n GLU 89 Cb 0.46 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.57 3hux n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3hux n VAL 90 N -0.38 0.00 0.00 3.84 0.31 -1.26 -4.40 118.33 116.44 3hux n VAL 90 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3hux n VAL 90 Cb 0.82 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 3hux n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hux n ASP 91 N 0.00 0.00 -1.59 4.52 4.64 -1.26 -4.55 116.55 118.31 3hux n ASP 91 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3hux n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3hux n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hux n ARG 92 N 0.00 -1.85 0.00 -0.67 3.00 -1.26 -0.75 116.66 115.13 3hux n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hux n ARG 92 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 32.46 28.70 3hux n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hux n LYS 93 N -1.56 0.00 -0.27 5.56 4.01 -1.26 -4.37 118.16 120.27 3hux n LYS 93 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.87 3hux n LYS 93 Cb 0.23 0.00 0.22 0.00 -0.51 0.00 0.00 35.03 34.96 3hux n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3hux h ASN 94 N 0.00 0.22 0.51 4.39 -1.24 -1.83 0.38 115.58 118.01 3hux h ASN 94 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3hux h ASN 94 Cb 0.00 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.18 3hux h ASN 94 CO 0.00 0.04 -1.21 0.18 -1.29 0.00 0.00 177.43 175.15 3hux n LEU 95 N -5.06 0.56 0.29 0.34 4.77 -0.32 -3.38 117.00 114.20 3hux n LEU 95 Ca 0.16 0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.39 3hux n LEU 95 Cb 0.49 -0.07 0.93 0.00 -2.33 0.00 0.00 43.42 42.44 3hux n LEU 95 CO 0.15 -0.03 1.13 0.00 -1.33 0.00 0.00 177.39 177.31 3hux h ALA 96 N 2.28 1.53 -1.67 -1.18 0.00 0.18 0.12 119.26 120.51 3hux h ALA 96 Ca 0.00 -0.00 0.49 0.00 0.00 0.00 0.00 54.91 55.39 3hux h ALA 96 Cb 0.86 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3hux h ALA 96 CO 0.00 -0.05 1.23 -0.40 0.00 0.00 0.00 179.25 180.03 3hux n ASP 97 N -3.78 0.00 -0.13 0.00 5.75 0.73 -2.61 116.55 116.52 3hux n ASP 97 Ca -0.02 0.85 0.12 0.00 -0.01 0.00 0.00 54.79 55.72 3hux n ASP 97 Cb 0.12 -0.42 0.18 0.00 -1.03 0.00 0.00 41.12 39.97 3hux n ASP 97 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hux n LEU 98 N -3.62 0.00 0.00 -2.12 4.77 0.03 -0.61 117.00 115.45 3hux n LEU 98 Ca 0.38 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 3hux n LEU 98 Cb 1.73 -0.11 0.23 0.00 -2.33 0.00 0.00 43.42 42.95 3hux n LEU 98 CO 0.38 -0.26 0.45 0.00 -1.33 0.00 0.00 177.39 176.63 3hux n ALA 99 N -1.85 1.81 -1.13 -1.18 0.00 -1.07 -3.62 120.51 113.46 3hux n ALA 99 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hux n ALA 99 Cb 0.52 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hux n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hux n VAL 100 N -0.97 0.00 -2.47 0.00 0.31 0.22 -4.76 118.33 110.66 3hux n VAL 100 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 3hux n VAL 100 Cb 0.03 -0.76 -0.02 0.00 -0.91 0.00 0.00 33.84 32.18 3hux n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hux s ARG 101 N 0.00 4.26 -0.44 5.55 0.52 -1.24 -4.28 118.95 123.32 3hux s ARG 101 Ca 0.00 1.62 -0.09 0.00 -0.52 0.00 0.00 55.73 56.74 3hux s ARG 101 Cb 0.00 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.77 3hux s ARG 101 CO 0.00 -0.65 0.52 0.39 0.02 0.00 0.00 175.30 175.58 3hux n GLU 102 N 6.31 -1.64 0.07 3.54 1.02 -1.26 -4.63 120.64 124.05 3hux n GLU 102 Ca 0.13 1.65 -0.08 0.00 -0.02 0.00 0.00 57.16 58.84 3hux n GLU 102 Cb 0.45 -4.93 0.06 0.00 -0.02 0.00 0.00 31.44 27.00 3hux n GLU 102 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3hux h PRO 103 N 1.19 0.29 -0.90 3.49 0.11 -1.74 -3.27 132.00 131.16 3hux h PRO 103 Ca 0.00 -0.23 0.25 0.00 0.11 0.00 0.00 66.00 66.12 3hux h PRO 103 Cb 0.88 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3hux h PRO 103 CO 0.19 0.88 0.63 1.96 -0.21 0.00 0.00 178.00 181.46 3hux h GLN 104 N 0.19 0.10 0.00 1.05 7.50 -1.94 1.25 115.11 123.27 3hux h GLN 104 Ca -0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 3hux h GLN 104 Cb 1.27 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.77 3hux h GLN 104 CO 0.11 0.07 -0.33 0.28 -1.50 0.00 0.00 178.83 177.46 3hux h VAL 105 N 0.11 0.16 0.02 -0.54 2.07 -1.92 -2.94 116.25 113.20 3hux h VAL 105 Ca 0.44 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 3hux h VAL 105 Cb 1.58 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3hux h VAL 105 CO -0.06 0.09 -0.21 0.15 0.02 0.00 0.00 177.57 177.56 3hux h PHE 106 N 0.00 0.18 -0.94 1.57 3.57 0.92 -2.84 116.94 119.40 3hux h PHE 106 Ca -0.01 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.48 3hux h PHE 106 Cb 1.09 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.69 3hux h PHE 106 CO 0.00 0.98 -0.52 0.00 -2.23 0.00 0.00 178.31 176.54 3hux n ALA 107 N -2.57 -0.50 0.13 2.41 0.00 0.33 0.11 120.51 120.42 3hux n ALA 107 Ca -0.10 0.83 0.05 0.00 0.00 0.00 0.00 53.44 54.22 3hux n ALA 107 Cb 0.52 -0.19 0.50 0.00 0.00 0.00 0.00 19.45 20.28 3hux n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hux h GLU 108 N 0.00 0.26 0.00 0.00 5.08 -1.58 -1.86 114.58 116.48 3hux h GLU 108 Ca 0.19 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3hux h GLU 108 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hux h GLU 108 CO -0.90 0.22 -0.39 -0.07 -1.00 0.00 0.00 179.01 176.87 3hux h LEU 109 N 0.27 0.00 -0.04 1.33 3.38 0.11 -2.21 115.31 118.14 3hux h LEU 109 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hux h LEU 109 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hux h LEU 109 CO -0.01 0.39 -0.04 0.58 0.09 0.00 0.00 178.44 179.45 3hux h VAL 110 N 0.00 1.38 0.00 1.22 2.07 -0.27 -2.70 116.25 117.95 3hux h VAL 110 Ca -0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3hux h VAL 110 Cb 0.71 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3hux h VAL 110 CO 0.05 0.33 0.00 -0.62 0.02 0.00 0.00 177.57 177.35 3hux n GLU 111 N -4.76 0.00 -0.15 1.57 -0.58 -1.01 0.22 120.64 115.94 3hux n GLU 111 Ca -0.08 0.43 0.05 0.00 -0.42 0.00 0.00 57.16 57.14 3hux n GLU 111 Cb 0.29 -1.05 0.10 0.00 -0.57 0.00 0.00 31.44 30.20 3hux n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hux n ARG 112 N -1.07 -0.03 0.23 3.49 5.12 -0.86 0.13 116.66 123.67 3hux n ARG 112 Ca 0.00 0.63 -0.15 0.00 -1.93 0.00 0.00 57.85 56.40 3hux n ARG 112 Cb 0.00 -0.97 -0.08 0.00 -1.16 0.00 0.00 32.46 30.24 3hux n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hux h ALA 113 N 0.83 -0.58 0.00 7.54 0.00 -0.57 -0.98 119.26 125.50 3hux h ALA 113 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hux h ALA 113 Cb 0.43 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hux h ALA 113 CO -0.40 -0.74 0.00 1.57 0.00 0.00 0.00 179.25 179.68 3hux h LYS 114 N -0.76 0.00 -0.37 0.00 2.10 0.45 -3.02 116.57 114.97 3hux h LYS 114 Ca -0.06 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.44 3hux h LYS 114 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 3hux h LYS 114 CO 0.10 0.00 -0.37 0.00 -2.00 0.00 0.00 179.45 177.17 3hux h ALA 115 N 2.03 0.63 0.00 0.07 0.00 0.12 -1.58 119.26 120.53 3hux h ALA 115 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hux h ALA 115 Cb 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hux h ALA 115 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 3hux n ALA 116 N -2.54 2.38 -0.78 0.00 0.00 -0.38 -1.27 120.51 117.91 3hux n ALA 116 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hux n ALA 116 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3hux n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hux n GLN 117 N -0.25 0.91 0.00 0.00 1.13 -0.67 -4.85 117.38 113.65 3hux n GLN 117 Ca 0.00 -0.89 0.00 0.00 -1.94 0.00 0.00 57.00 54.17 3hux n GLN 117 Cb 0.10 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 29.78 3hux n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03