#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s ILE 2 N 0.00 3.12 -0.13 3.17 -1.09 -0.15 -4.82 121.20 121.29 3hux s ILE 2 Ca 0.00 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 3hux s ILE 2 Cb 0.00 -3.30 0.11 0.00 -1.58 0.00 0.00 42.46 37.68 3hux s ILE 2 CO 0.00 -0.35 0.90 -1.58 -1.23 0.00 0.00 174.94 172.68 3hux s GLN 3 N -5.20 0.74 -0.02 2.79 0.74 -1.26 -1.29 119.66 116.15 3hux s GLN 3 Ca 0.57 0.20 -0.39 0.00 0.05 0.00 0.00 55.36 55.79 3hux s GLN 3 Cb -0.11 0.35 -0.18 0.00 1.10 0.00 0.00 33.01 34.17 3hux s GLN 3 CO 0.47 -0.23 1.29 -0.35 -0.55 0.00 0.00 175.29 175.93 3hux n PRO 4 N 0.83 0.62 0.00 1.67 -0.04 -1.26 0.02 135.00 136.84 3hux n PRO 4 Ca -0.13 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3hux n PRO 4 Cb 0.58 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3hux n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hux n GLN 5 N 2.50 0.00 -2.17 0.54 -0.06 -0.84 -4.95 117.38 112.40 3hux n GLN 5 Ca 0.21 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.83 3hux n GLN 5 Cb 0.12 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.30 3hux n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3hux s THR 6 N -2.67 2.90 -0.19 1.69 2.01 0.10 -4.67 115.64 114.81 3hux s THR 6 Ca 0.00 0.72 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 3hux s THR 6 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3hux s THR 6 CO 0.00 0.03 0.33 -0.31 -0.69 0.00 0.00 174.62 173.98 3hux s TYR 7 N -1.43 3.39 0.14 4.92 1.51 -1.26 -0.82 117.35 123.81 3hux s TYR 7 Ca 0.61 0.54 0.05 0.00 -1.01 0.00 0.00 57.07 57.27 3hux s TYR 7 Cb -0.32 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 3hux s TYR 7 CO 0.40 0.08 0.07 -0.51 -1.11 0.00 0.00 175.55 174.48 3hux s LEU 8 N 1.00 3.64 -0.16 -1.29 2.01 0.24 -4.82 118.68 119.30 3hux s LEU 8 Ca 0.16 -0.18 -0.08 0.00 0.01 0.00 0.00 54.13 54.04 3hux s LEU 8 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 46.19 43.73 3hux s LEU 8 CO 0.06 0.11 0.12 -0.70 1.01 0.00 0.00 176.35 176.95 3hux s GLU 9 N -2.82 3.83 -0.26 1.70 2.56 -0.95 -1.56 118.70 121.19 3hux s GLU 9 Ca 0.29 -0.21 -0.18 0.00 0.00 0.00 0.00 54.97 54.87 3hux s GLU 9 Cb -0.10 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.72 3hux s GLU 9 CO 0.21 0.50 0.54 0.14 -0.56 0.00 0.00 175.26 176.10 3hux s VAL 10 N -0.23 5.05 -1.07 3.70 -7.23 -1.24 0.08 120.40 119.46 3hux s VAL 10 Ca 0.10 0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 61.17 3hux s VAL 10 Cb -0.12 -3.86 0.31 0.00 0.56 0.00 0.00 36.38 33.28 3hux s VAL 10 CO 0.01 0.06 1.52 0.00 -0.31 0.00 0.00 175.10 176.38 3hux n ALA 11 N 5.59 5.29 -3.05 1.32 0.00 0.36 -4.83 120.51 125.19 3hux n ALA 11 Ca -0.03 -4.78 0.01 0.00 0.00 0.00 0.00 53.44 48.63 3hux n ALA 11 Cb 0.49 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3hux n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hux n ASP 12 N 1.12 -0.09 -1.49 0.00 3.85 -1.25 -2.45 116.55 116.24 3hux n ASP 12 Ca 0.29 -1.05 -0.12 0.00 -0.71 0.00 0.00 54.79 53.20 3hux n ASP 12 Cb 0.32 0.15 0.15 0.00 -1.35 0.00 0.00 41.12 40.39 3hux n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3hux n ASN 13 N -0.53 3.56 -0.16 -1.12 0.23 -0.96 -4.66 115.26 111.63 3hux n ASN 13 Ca -0.00 -3.79 0.11 0.00 -0.53 0.00 0.00 54.58 50.37 3hux n ASN 13 Cb 0.03 -0.62 0.43 0.00 -2.08 0.00 0.00 39.78 37.55 3hux n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3hux h THR 14 N 1.24 0.91 0.00 5.53 2.02 -1.92 -3.45 112.91 117.24 3hux h THR 14 Ca 0.30 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3hux h THR 14 Cb 1.55 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3hux h THR 14 CO 0.61 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.22 3hux n GLY 15 N -1.48 1.02 3.93 2.16 0.00 -1.26 -2.40 105.19 107.16 3hux n GLY 15 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3hux n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux s ALA 16 N -2.00 3.34 0.00 4.61 0.00 -1.26 0.45 121.76 126.90 3hux s ALA 16 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3hux s ALA 16 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 3hux s ALA 16 CO 0.00 -0.90 0.00 -2.13 0.00 0.00 0.00 175.76 172.73 3hux n ARG 17 N -2.62 1.96 -3.40 0.00 3.00 -0.04 -4.67 116.66 110.89 3hux n ARG 17 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.86 3hux n ARG 17 Cb 0.59 -0.37 -0.06 0.00 0.00 0.00 0.00 32.46 32.61 3hux n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3hux s LYS 18 N -0.56 0.42 -0.09 -0.14 3.01 -1.05 -3.70 119.74 117.64 3hux s LYS 18 Ca 0.00 0.88 -0.01 0.00 -1.01 0.00 0.00 55.97 55.83 3hux s LYS 18 Cb 0.00 0.13 -0.03 0.00 -1.01 0.00 0.00 37.83 36.92 3hux s LYS 18 CO 0.00 -0.50 -0.04 0.96 0.51 0.00 0.00 175.35 176.28 3hux s ILE 19 N 2.68 3.90 -0.16 2.17 -4.36 -0.60 0.12 121.20 124.96 3hux s ILE 19 Ca 0.09 -0.40 -0.08 0.00 -0.26 0.00 0.00 60.65 60.01 3hux s ILE 19 Cb -0.14 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3hux s ILE 19 CO -0.17 0.58 0.11 -0.32 0.24 0.00 0.00 174.94 175.39 3hux s MET 20 N -0.65 3.76 0.54 0.37 -2.45 0.15 0.80 119.30 121.83 3hux s MET 20 Ca 0.10 -0.22 -0.22 0.00 -1.25 0.00 0.00 55.69 54.10 3hux s MET 20 Cb -0.12 -3.24 -0.05 0.00 1.25 0.00 0.00 34.83 32.67 3hux s MET 20 CO 0.02 0.52 1.33 0.00 1.05 0.00 0.00 175.02 177.93 3hux n ILE 22 N -1.01 0.00 -3.64 0.00 2.08 -0.91 -1.99 119.36 113.90 3hux n ILE 22 Ca 0.10 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.34 3hux n ILE 22 Cb 0.46 -0.75 -0.07 0.00 -0.75 0.00 0.00 39.64 38.53 3hux n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3hux s ARG 23 N -1.77 0.34 -0.34 0.38 3.52 -1.25 -4.74 118.95 115.08 3hux s ARG 23 Ca 0.00 0.38 -0.21 0.00 -0.13 0.00 0.00 55.73 55.77 3hux s ARG 23 Cb 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3hux s ARG 23 CO 0.00 -0.05 0.67 0.54 -0.81 0.00 0.00 175.30 175.66 3hux s VAL 24 N 0.08 4.86 -1.23 7.11 0.11 -1.26 -1.38 120.40 128.69 3hux s VAL 24 Ca 0.05 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 3hux s VAL 24 Cb -0.05 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 3hux s VAL 24 CO -0.09 -0.30 0.28 0.18 -3.33 0.00 0.00 175.10 171.84 3hux n LEU 25 N 6.10 0.35 0.00 2.54 4.77 -0.21 -4.63 117.00 125.92 3hux n LEU 25 Ca -0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3hux n LEU 25 Cb 0.49 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hux n LEU 25 CO 0.49 0.09 0.00 0.29 -1.33 0.00 0.00 177.39 176.93 3hux n LYS 26 N 0.10 0.61 0.00 3.23 5.02 -1.26 -4.89 118.16 120.98 3hux n LYS 26 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hux n LYS 26 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3hux n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hux n GLY 27 N 3.07 -2.08 0.06 0.72 0.00 -1.26 -4.84 105.19 100.86 3hux n GLY 27 Ca 0.00 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.46 3hux n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hux n SER 28 N 0.00 0.65 -2.72 1.61 3.41 -1.26 -4.55 113.62 110.76 3hux n SER 28 Ca 0.00 0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 3hux n SER 28 Cb 0.00 0.08 0.09 0.00 -0.26 0.00 0.00 64.21 64.12 3hux n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hux n ASN 29 N -2.01 -2.16 -4.73 4.04 0.23 -1.26 -5.13 115.26 104.23 3hux n ASN 29 Ca 0.04 -3.22 -0.41 0.00 -0.53 0.00 0.00 54.58 50.46 3hux n ASN 29 Cb 0.42 1.72 -0.04 0.00 -2.08 0.00 0.00 39.78 39.80 3hux n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hux s ALA 30 N 0.28 3.28 0.04 -2.53 0.00 -1.26 -4.98 121.76 116.58 3hux s ALA 30 Ca 0.23 0.45 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 3hux s ALA 30 Cb 0.28 -3.18 -0.18 0.00 0.00 0.00 0.00 23.12 20.05 3hux s ALA 30 CO -0.11 -0.03 1.36 0.87 0.00 0.00 0.00 175.76 177.86 3hux h LYS 31 N 5.82 -1.01 -5.93 0.00 1.79 -1.97 -3.44 116.57 111.83 3hux h LYS 31 Ca -0.43 0.07 -0.52 0.00 -2.18 0.00 0.00 60.65 57.59 3hux h LYS 31 Cb 1.21 0.23 -0.17 0.00 -1.58 0.00 0.00 32.23 31.92 3hux h LYS 31 CO 0.72 -0.66 -0.77 0.71 -1.08 0.00 0.00 179.45 178.37 3hux s TYR 32 N -5.36 1.88 0.25 -1.35 2.02 -1.26 -4.72 117.35 108.81 3hux s TYR 32 Ca -0.17 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.12 3hux s TYR 32 Cb 0.02 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3hux s TYR 32 CO 0.53 0.39 0.29 0.00 -1.57 0.00 0.00 175.55 175.19 3hux s ALA 33 N -2.27 3.79 0.33 3.71 0.00 -0.41 -4.89 121.76 122.03 3hux s ALA 33 Ca 0.19 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 3hux s ALA 33 Cb -0.05 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.57 3hux s ALA 33 CO 0.08 0.22 0.58 -0.08 0.00 0.00 0.00 175.76 176.56 3hux s THR 34 N -2.07 0.00 -0.40 0.00 -1.32 -1.26 -0.98 115.64 109.60 3hux s THR 34 Ca 0.34 -1.37 -0.43 0.00 -1.21 0.00 0.00 61.69 59.02 3hux s THR 34 Cb -0.08 -2.60 -0.18 0.00 -1.51 0.00 0.00 72.50 68.13 3hux s THR 34 CO 0.27 0.00 1.74 0.52 -2.21 0.00 0.00 174.62 174.94 3hux n VAL 35 N -0.52 0.14 0.00 5.08 0.31 -1.26 0.69 118.33 122.77 3hux n VAL 35 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3hux n VAL 35 Cb 0.61 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 3hux n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hux n GLY 36 N 4.54 2.84 3.77 2.92 0.00 0.07 -4.87 105.19 114.46 3hux n GLY 36 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 3hux n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hux s ASP 37 N 0.81 7.16 0.37 1.61 1.01 0.22 -4.81 116.67 123.04 3hux s ASP 37 Ca 0.00 2.13 -0.11 0.00 0.71 0.00 0.00 52.55 55.29 3hux s ASP 37 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 3hux s ASP 37 CO 0.00 -0.21 0.73 -0.69 0.21 0.00 0.00 175.17 175.21 3hux s VAL 38 N -1.34 4.79 0.10 -1.27 1.01 -1.26 -2.83 120.40 119.60 3hux s VAL 38 Ca 0.48 0.63 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 3hux s VAL 38 Cb -0.27 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3hux s VAL 38 CO 0.35 -0.40 0.28 0.27 0.00 0.00 0.00 175.10 175.60 3hux s ILE 39 N -2.23 0.11 0.45 2.22 -4.36 -0.16 -1.05 121.20 116.19 3hux s ILE 39 Ca 0.51 -0.91 -0.00 0.00 -0.26 0.00 0.00 60.65 59.99 3hux s ILE 39 Cb -0.10 -1.25 -0.00 0.00 1.25 0.00 0.00 42.46 42.35 3hux s ILE 39 CO 0.28 -0.50 0.68 -0.69 0.24 0.00 0.00 174.94 174.95 3hux s VAL 40 N -3.79 4.05 0.06 8.37 1.01 -0.48 -1.08 120.40 128.54 3hux s VAL 40 Ca 0.04 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 3hux s VAL 40 Cb 0.03 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 33.00 3hux s VAL 40 CO -0.11 -0.36 0.94 0.00 0.00 0.00 0.00 175.10 175.56 3hux s ALA 41 N -2.57 -1.77 -0.06 5.51 0.00 -0.77 -2.14 121.76 119.95 3hux s ALA 41 Ca 0.48 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.08 3hux s ALA 41 Cb -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3hux s ALA 41 CO 0.38 -0.85 -0.10 0.45 0.00 0.00 0.00 175.76 175.64 3hux s SER 42 N -2.70 4.42 -1.03 0.00 0.15 -0.03 -1.40 113.70 113.12 3hux s SER 42 Ca 0.09 -0.09 -0.18 0.00 0.70 0.00 0.00 55.95 56.47 3hux s SER 42 Cb -0.01 -1.07 0.13 0.00 -1.71 0.00 0.00 66.02 63.36 3hux s SER 42 CO -0.04 0.35 1.26 -0.69 1.20 0.00 0.00 173.24 175.32 3hux s VAL 43 N -0.74 4.74 -1.08 4.45 1.01 -0.05 0.33 120.40 129.06 3hux s VAL 43 Ca 0.11 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.26 3hux s VAL 43 Cb -0.11 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.42 3hux s VAL 43 CO 0.01 -1.59 0.91 0.29 0.00 0.00 0.00 175.10 174.72 3hux n LYS 44 N 6.53 0.00 0.00 2.72 4.76 0.33 -2.97 118.16 129.53 3hux n LYS 44 Ca 0.29 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 3hux n LYS 44 Cb 0.47 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3hux n LYS 44 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3hux n GLU 45 N -1.41 0.00 -4.36 1.97 0.28 -1.16 -4.92 120.64 111.04 3hux n GLU 45 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 3hux n GLU 45 Cb 0.02 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.79 3hux n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hux s ALA 46 N 0.00 2.05 0.17 -1.84 0.00 -1.26 -0.86 121.76 120.01 3hux s ALA 46 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 3hux s ALA 46 Cb 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 3hux s ALA 46 CO 0.00 -0.06 1.06 0.42 0.00 0.00 0.00 175.76 177.17 3hux s ILE 47 N -3.11 4.03 0.00 0.00 1.09 0.17 -4.94 121.20 118.44 3hux s ILE 47 Ca 0.26 1.75 0.00 0.00 -1.10 0.00 0.00 60.65 61.56 3hux s ILE 47 Cb 0.03 -4.12 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 3hux s ILE 47 CO 0.08 0.30 0.00 -2.65 -0.10 0.00 0.00 174.94 172.58 3hux n PRO 48 N 2.40 0.00 -0.20 2.79 -0.02 -1.26 -0.52 135.00 138.19 3hux n PRO 48 Ca 0.02 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 3hux n PRO 48 Cb 0.47 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.11 3hux n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hux n ARG 49 N -2.09 2.88 -1.13 -0.52 5.12 -1.26 -5.07 116.66 114.59 3hux n ARG 49 Ca 0.00 -2.12 -0.35 0.00 -1.93 0.00 0.00 57.85 53.44 3hux n ARG 49 Cb 0.00 -1.33 0.08 0.00 -1.16 0.00 0.00 32.46 30.05 3hux n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hux n GLY 50 N 0.28 -1.92 2.64 -0.13 0.00 0.32 -4.85 105.19 101.54 3hux n GLY 50 Ca 0.12 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3hux n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 51 N -2.66 6.19 0.00 4.61 0.00 -1.01 -4.55 120.51 123.09 3hux n ALA 51 Ca 0.08 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.37 3hux n ALA 51 Cb 0.51 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3hux n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hux n VAL 52 N 2.64 0.00 -3.62 0.00 3.14 -1.26 -4.89 118.33 114.34 3hux n VAL 52 Ca 0.53 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.69 3hux n VAL 52 Cb 0.30 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.06 3hux n VAL 52 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3hux s LYS 53 N 0.00 2.46 0.31 1.45 3.01 -1.26 -4.61 119.74 121.10 3hux s LYS 53 Ca 0.00 -1.63 -0.29 0.00 -1.01 0.00 0.00 55.97 53.03 3hux s LYS 53 Cb 0.00 -2.33 -0.11 0.00 -1.01 0.00 0.00 37.83 34.38 3hux s LYS 53 CO 0.00 -0.29 1.58 -1.21 0.51 0.00 0.00 175.35 175.94 3hux s GLU 54 N -4.17 4.11 0.00 1.68 2.02 -1.26 -1.65 118.70 119.44 3hux s GLU 54 Ca 0.46 2.59 0.00 0.00 0.02 0.00 0.00 54.97 58.05 3hux s GLU 54 Cb -0.03 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3hux s GLU 54 CO 0.27 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3hux n GLY 55 N 1.76 2.67 3.73 -1.39 0.00 -1.16 -4.99 105.19 105.82 3hux n GLY 55 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hux n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hux n ASP 56 N 0.00 3.86 -4.57 1.61 10.43 -0.66 -4.67 116.55 122.56 3hux n ASP 56 Ca 0.00 1.12 -0.38 0.00 2.57 0.00 0.00 54.79 58.10 3hux n ASP 56 Cb 0.00 -1.58 -0.11 0.00 1.84 0.00 0.00 41.12 41.27 3hux n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hux s VAL 57 N 0.37 5.13 0.02 2.53 1.01 -1.26 -0.87 120.40 127.33 3hux s VAL 57 Ca 0.68 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 3hux s VAL 57 Cb -0.51 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3hux s VAL 57 CO 0.43 0.27 0.07 0.68 0.00 0.00 0.00 175.10 176.55 3hux s VAL 58 N 1.67 0.11 0.20 2.92 -7.23 -0.49 -4.94 120.40 112.64 3hux s VAL 58 Ca 0.07 -0.90 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 3hux s VAL 58 Cb -0.16 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.18 3hux s VAL 58 CO 0.09 -0.50 0.70 -0.54 -0.31 0.00 0.00 175.10 174.55 3hux s LYS 59 N -1.79 4.24 0.21 4.82 1.02 -1.26 -1.85 119.74 125.13 3hux s LYS 59 Ca -0.12 0.84 -0.09 0.00 0.02 0.00 0.00 55.97 56.61 3hux s LYS 59 Cb -0.06 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3hux s LYS 59 CO -0.01 0.43 0.35 0.00 -0.92 0.00 0.00 175.35 175.20 3hux s ALA 60 N -1.47 0.12 -0.22 5.17 0.00 -0.24 -0.29 121.76 124.83 3hux s ALA 60 Ca 0.41 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3hux s ALA 60 Cb -0.17 1.08 0.06 0.00 0.00 0.00 0.00 23.12 24.08 3hux s ALA 60 CO 0.21 -0.74 -0.06 0.54 0.00 0.00 0.00 175.76 175.71 3hux s VAL 61 N -4.03 1.51 -0.82 0.00 0.11 -0.94 -0.98 120.40 115.24 3hux s VAL 61 Ca 0.24 -1.13 -0.32 0.00 -2.93 0.00 0.00 61.98 57.85 3hux s VAL 61 Cb 0.02 -1.73 -0.18 0.00 -1.53 0.00 0.00 36.38 32.95 3hux s VAL 61 CO 0.07 -0.04 2.57 0.52 -3.33 0.00 0.00 175.10 174.89 3hux n VAL 62 N 4.69 -0.00 0.06 2.04 0.31 -1.13 -3.02 118.33 121.28 3hux n VAL 62 Ca -0.12 -0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 63.91 3hux n VAL 62 Cb 0.45 -0.98 -0.14 0.00 -0.91 0.00 0.00 33.84 32.26 3hux n VAL 62 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3hux h VAL 63 N 7.80 1.26 -2.61 2.52 -1.51 -1.52 0.23 116.25 122.41 3hux h VAL 63 Ca -0.10 -2.93 -0.11 0.00 -1.23 0.00 0.00 66.70 62.33 3hux h VAL 63 Cb 1.31 2.75 -0.23 0.00 -2.13 0.00 0.00 31.29 32.99 3hux h VAL 63 CO 1.30 0.81 -0.17 0.00 -1.23 0.00 0.00 177.57 178.28 3hux s ARG 64 N -2.64 0.54 0.43 5.19 1.70 0.11 -3.21 118.95 121.08 3hux s ARG 64 Ca -0.06 0.65 0.03 0.00 -0.47 0.00 0.00 55.73 55.88 3hux s ARG 64 Cb 0.08 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 3hux s ARG 64 CO 0.85 -0.07 0.11 0.95 -1.08 0.00 0.00 175.30 176.06 3hux s THR 65 N 0.25 0.69 -0.19 4.99 -4.23 -1.26 0.76 115.64 116.66 3hux s THR 65 Ca -0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 3hux s THR 65 Cb -0.03 -2.29 -0.21 0.00 1.34 0.00 0.00 72.50 71.31 3hux s THR 65 CO 0.01 0.00 0.08 1.17 -0.54 0.00 0.00 174.62 175.33 3hux n LYS 66 N -1.00 0.69 -1.78 3.99 3.00 -1.26 -2.38 118.16 119.42 3hux n LYS 66 Ca -0.09 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.05 3hux n LYS 66 Cb 0.65 -1.62 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 3hux n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3hux s LYS 67 N -2.53 3.02 -0.07 1.64 2.47 -1.26 -4.33 119.74 118.68 3hux s LYS 67 Ca -0.29 1.61 -0.30 0.00 -1.56 0.00 0.00 55.97 55.44 3hux s LYS 67 Cb 0.08 -4.34 -0.14 0.00 -1.46 0.00 0.00 37.83 31.97 3hux s LYS 67 CO 0.67 -2.23 0.84 -0.85 0.16 0.00 0.00 175.35 173.95 3hux n GLU 68 N 8.71 0.00 -3.00 4.03 0.00 -1.26 -4.62 120.64 124.50 3hux n GLU 68 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 57.04 3hux n GLU 68 Cb 0.48 -1.07 -0.05 0.00 0.00 0.00 0.00 31.44 30.79 3hux n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3hux s ILE 69 N 0.44 4.78 0.24 3.84 1.09 0.08 -4.89 121.20 126.78 3hux s ILE 69 Ca 0.67 1.60 -0.12 0.00 -1.10 0.00 0.00 60.65 61.70 3hux s ILE 69 Cb -0.94 -4.10 -0.08 0.00 -1.06 0.00 0.00 42.46 36.28 3hux s ILE 69 CO 0.44 0.35 0.60 -0.75 -0.10 0.00 0.00 174.94 175.48 3hux s LYS 70 N 0.07 3.89 -0.13 2.79 2.47 -1.26 -1.85 119.74 125.72 3hux s LYS 70 Ca 0.38 0.41 0.02 0.00 -1.56 0.00 0.00 55.97 55.22 3hux s LYS 70 Cb -0.20 -2.65 0.01 0.00 -1.46 0.00 0.00 37.83 33.53 3hux s LYS 70 CO 0.22 0.31 -0.18 1.03 0.16 0.00 0.00 175.35 176.89 3hux s ARG 71 N -2.69 2.55 0.66 4.03 1.81 -0.44 -4.96 118.95 119.91 3hux s ARG 71 Ca 0.47 -0.68 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 3hux s ARG 71 Cb -0.12 -2.14 0.16 0.00 -0.45 0.00 0.00 34.95 32.40 3hux s ARG 71 CO 0.20 -0.07 1.07 -1.00 -0.68 0.00 0.00 175.30 174.82 3hux h PRO 72 N 7.48 0.00 0.00 3.54 0.13 -1.98 0.41 132.00 141.58 3hux h PRO 72 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3hux h PRO 72 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hux h PRO 72 CO 0.52 0.00 -0.50 -0.40 -0.23 0.00 0.00 178.00 177.39 3hux n ASP 73 N -2.59 0.54 0.00 1.44 5.68 -1.26 -4.95 116.55 115.41 3hux n ASP 73 Ca 0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3hux n ASP 73 Cb 1.02 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 3hux n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hux n GLY 74 N 1.43 1.99 3.99 6.12 0.00 0.14 -5.11 105.19 113.74 3hux n GLY 74 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3hux n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hux s SER 75 N -1.98 4.20 -0.25 1.61 1.04 -1.25 -4.89 113.70 112.18 3hux s SER 75 Ca 0.00 -0.30 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 3hux s SER 75 Cb 0.00 -0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.16 3hux s SER 75 CO 0.00 -1.97 0.65 0.00 0.98 0.00 0.00 173.24 172.90 3hux s ALA 76 N -3.23 -1.65 -0.16 5.32 0.00 -1.26 -1.33 121.76 119.46 3hux s ALA 76 Ca 0.67 1.99 -0.06 0.00 0.00 0.00 0.00 51.96 54.56 3hux s ALA 76 Cb -0.05 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hux s ALA 76 CO 0.45 -0.33 0.04 -1.50 0.00 0.00 0.00 175.76 174.43 3hux s ILE 77 N 0.79 4.61 -0.07 0.00 1.10 -0.77 -4.86 121.20 121.99 3hux s ILE 77 Ca -0.04 -0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.00 3hux s ILE 77 Cb -0.05 -3.04 0.02 0.00 0.15 0.00 0.00 42.46 39.54 3hux s ILE 77 CO -0.06 0.50 -0.05 -0.60 -2.11 0.00 0.00 174.94 172.62 3hux s ARG 78 N 0.05 1.04 0.00 3.50 3.52 -1.26 -0.74 118.95 125.06 3hux s ARG 78 Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 3hux s ARG 78 Cb -0.12 -1.11 0.00 0.00 -1.56 0.00 0.00 34.95 32.16 3hux s ARG 78 CO 0.01 -0.16 0.00 1.19 -0.81 0.00 0.00 175.30 175.53 3hux n PHE 79 N 4.49 0.00 0.03 5.12 3.01 -1.00 -5.03 117.46 124.07 3hux n PHE 79 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3hux n PHE 79 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3hux n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hux n ASP 80 N 0.00 0.10 -4.91 4.37 9.92 -1.26 -4.74 116.55 120.03 3hux n ASP 80 Ca 0.00 0.08 -0.31 0.00 -0.53 0.00 0.00 54.79 54.03 3hux n ASP 80 Cb 0.00 0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.45 3hux n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3hux s ASP 81 N -5.11 6.41 -0.85 -2.24 3.84 -1.26 -4.69 116.67 112.77 3hux s ASP 81 Ca 0.00 0.39 -0.16 0.00 -0.00 0.00 0.00 52.55 52.78 3hux s ASP 81 Cb 0.00 -2.01 0.18 0.00 -1.38 0.00 0.00 42.92 39.71 3hux s ASP 81 CO 0.00 0.14 0.90 0.20 -0.00 0.00 0.00 175.17 176.41 3hux s ASN 82 N -2.40 6.67 0.14 2.11 -0.87 -1.26 -4.06 114.94 115.27 3hux s ASN 82 Ca 0.36 -2.36 0.04 0.00 -1.57 0.00 0.00 52.86 49.33 3hux s ASN 82 Cb -0.13 -2.29 -0.04 0.00 -0.02 0.00 0.00 41.25 38.78 3hux s ASN 82 CO 0.26 -0.80 0.12 0.00 -2.57 0.00 0.00 177.10 174.11 3hux s ALA 83 N 1.30 3.58 0.37 0.60 0.00 0.23 -2.24 121.76 125.59 3hux s ALA 83 Ca 0.23 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.11 3hux s ALA 83 Cb -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 3hux s ALA 83 CO -0.08 0.59 0.23 0.00 0.00 0.00 0.00 175.76 176.50 3hux n ALA 84 N -0.08 0.68 -3.71 0.00 0.00 0.11 -0.71 120.51 116.79 3hux n ALA 84 Ca -0.08 -2.05 -0.19 0.00 0.00 0.00 0.00 53.44 51.12 3hux n ALA 84 Cb 0.54 1.54 -0.17 0.00 0.00 0.00 0.00 19.45 21.36 3hux n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hux s VAL 85 N -3.28 0.11 0.35 0.00 1.01 -1.17 -0.49 120.40 116.93 3hux s VAL 85 Ca 0.33 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 3hux s VAL 85 Cb 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 36.38 35.99 3hux s VAL 85 CO 0.23 0.18 1.05 -0.38 0.00 0.00 0.00 175.10 176.18 3hux n ILE 86 N 4.76 2.13 -4.26 2.22 -0.00 -1.26 -2.21 119.36 120.74 3hux n ILE 86 Ca -0.14 -0.50 -0.16 0.00 -0.00 0.00 0.00 62.75 61.95 3hux n ILE 86 Cb 0.50 -1.15 -0.10 0.00 -0.00 0.00 0.00 39.64 38.89 3hux n ILE 86 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3hux s ILE 87 N -1.15 1.29 0.09 1.39 -1.09 0.60 -2.72 121.20 119.62 3hux s ILE 87 Ca 0.59 -1.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.07 3hux s ILE 87 Cb -0.63 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 3hux s ILE 87 CO 0.59 -0.64 0.04 0.54 -1.23 0.00 0.00 174.94 174.25 3hux s ASN 88 N -2.99 5.27 0.00 3.58 4.22 -0.97 -4.10 114.94 119.95 3hux s ASN 88 Ca 0.15 -0.11 0.00 0.00 -2.14 0.00 0.00 52.86 50.76 3hux s ASN 88 Cb -0.00 -1.33 0.00 0.00 1.28 0.00 0.00 41.25 41.20 3hux s ASN 88 CO 0.02 0.16 0.22 0.59 -2.04 0.00 0.00 177.10 176.06 3hux n ASN 89 N 0.44 0.00 -0.67 3.54 4.13 -1.26 0.17 115.26 121.60 3hux n ASN 89 Ca -0.10 0.01 0.08 0.00 1.68 0.00 0.00 54.58 56.26 3hux n ASN 89 Cb 0.52 -0.01 0.09 0.00 -1.54 0.00 0.00 39.78 38.83 3hux n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hux n GLN 90 N -0.72 1.43 -0.91 3.52 3.00 -1.26 -4.96 117.38 117.47 3hux n GLN 90 Ca 0.00 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 3hux n GLN 90 Cb 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 28.95 3hux n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hux n LEU 91 N 0.90 0.00 -4.71 1.08 7.99 0.44 -5.02 117.00 117.67 3hux n LEU 91 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.73 3hux n LEU 91 Cb 0.41 -0.22 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 3hux n LEU 91 CO 0.10 0.00 0.10 -1.61 -1.51 0.00 0.00 177.39 174.47 3hux s GLU 92 N -0.09 4.28 -0.18 3.23 2.02 -1.24 -4.78 118.70 121.94 3hux s GLU 92 Ca 0.00 0.29 -0.38 0.00 0.02 0.00 0.00 54.97 54.90 3hux s GLU 92 Cb 0.00 -3.46 -0.15 0.00 0.10 0.00 0.00 34.13 30.62 3hux s GLU 92 CO 0.00 0.13 1.73 -0.35 0.02 0.00 0.00 175.26 176.79 3hux n PRO 93 N 3.87 1.45 -0.24 0.39 -0.04 -1.26 -2.28 135.00 136.88 3hux n PRO 93 Ca -0.09 0.53 -0.06 0.00 -0.04 0.00 0.00 63.50 63.85 3hux n PRO 93 Cb 0.51 -2.25 0.05 0.00 -0.04 0.00 0.00 33.50 31.77 3hux n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hux h ARG 94 N 7.40 0.91 0.00 0.54 2.47 -1.81 -3.43 114.38 120.47 3hux h ARG 94 Ca -0.47 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 3hux h ARG 94 Cb 1.31 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3hux h ARG 94 CO 0.94 0.64 0.00 0.41 0.56 0.00 0.00 179.97 182.51 3hux n GLY 95 N -1.19 -2.54 0.00 0.04 0.00 -1.26 -4.94 105.19 95.30 3hux n GLY 95 Ca 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hux n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hux n THR 96 N -1.31 0.04 -3.55 2.61 -2.24 -1.26 -4.98 114.28 103.59 3hux n THR 96 Ca 0.00 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 3hux n THR 96 Cb 0.00 1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 3hux n THR 96 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hux s ARG 97 N -0.04 0.87 0.03 -0.78 3.00 -1.26 -5.01 118.95 115.76 3hux s ARG 97 Ca 0.00 0.27 0.06 0.00 -1.00 0.00 0.00 55.73 55.06 3hux s ARG 97 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 34.95 35.34 3hux s ARG 97 CO 0.00 -0.26 -0.17 0.14 0.00 0.00 0.00 175.30 175.01 3hux s VAL 98 N -1.03 1.36 0.18 7.11 -7.23 -1.26 -2.25 120.40 117.28 3hux s VAL 98 Ca -0.07 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 3hux s VAL 98 Cb -0.01 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 3hux s VAL 98 CO 0.06 0.13 0.01 -0.36 -0.31 0.00 0.00 175.10 174.63 3hux s PHE 99 N -0.77 2.85 0.31 2.82 0.08 -1.02 -4.54 117.98 117.71 3hux s PHE 99 Ca 0.05 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.96 3hux s PHE 99 Cb -0.08 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 3hux s PHE 99 CO 0.01 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 3hux n GLY 100 N -0.22 -3.09 2.93 4.36 0.00 -1.26 -4.80 105.19 103.10 3hux n GLY 100 Ca -0.09 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 3hux n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hux n PRO 101 N -2.97 -3.28 -4.01 1.61 -0.02 -1.26 -4.59 135.00 120.49 3hux n PRO 101 Ca -0.04 -1.08 -0.13 0.00 -2.02 0.00 0.00 63.50 60.23 3hux n PRO 101 Cb 0.33 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3hux n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hux s VAL 102 N -2.01 0.00 -0.16 -1.45 -7.23 -1.06 -4.87 120.40 103.62 3hux s VAL 102 Ca 0.50 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 3hux s VAL 102 Cb -0.09 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3hux s VAL 102 CO 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.17 3hux s ALA 103 N -2.98 2.98 0.17 1.32 0.00 -1.20 -1.74 121.76 120.32 3hux s ALA 103 Ca 0.26 -0.84 0.16 0.00 0.00 0.00 0.00 51.96 51.53 3hux s ALA 103 Cb -0.02 -1.56 0.85 0.00 0.00 0.00 0.00 23.12 22.39 3hux s ALA 103 CO 0.17 0.18 1.39 0.07 0.00 0.00 0.00 175.76 177.57 3hux h ARG 104 N 6.79 0.00 0.00 0.00 0.11 -1.04 0.90 114.38 121.14 3hux h ARG 104 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 3hux h ARG 104 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3hux h ARG 104 CO 0.62 0.00 0.00 0.39 0.10 0.00 0.00 179.97 181.08 3hux n GLU 105 N -2.22 0.30 -0.02 0.08 4.71 -1.26 -1.50 120.64 120.73 3hux n GLU 105 Ca -0.01 0.03 -0.22 0.00 -0.01 0.00 0.00 57.16 56.95 3hux n GLU 105 Cb 0.36 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.16 3hux n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hux h LEU 106 N 0.00 0.31 -0.91 -4.62 3.38 0.51 -3.35 115.31 110.63 3hux h LEU 106 Ca 0.00 -0.81 0.06 0.00 0.09 0.00 0.00 57.88 57.22 3hux h LEU 106 Cb 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3hux h LEU 106 CO 0.00 1.68 0.58 -0.09 0.09 0.00 0.00 178.44 180.70 3hux h ARG 107 N -0.33 1.03 0.00 1.13 2.43 -1.44 0.10 114.38 117.31 3hux h ARG 107 Ca -0.36 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3hux h ARG 107 Cb 1.75 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3hux h ARG 107 CO 0.01 0.68 0.00 0.39 -1.51 0.00 0.00 179.97 179.54 3hux n GLU 108 N -4.56 0.26 -2.73 0.20 1.02 -1.13 -2.89 120.64 110.81 3hux n GLU 108 Ca 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.23 3hux n GLU 108 Cb 0.16 -1.00 0.07 0.00 -0.02 0.00 0.00 31.44 30.65 3hux n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hux n LYS 109 N -0.50 1.39 -3.95 3.49 5.02 0.35 -5.03 118.16 118.92 3hux n LYS 109 Ca 0.00 -2.70 -0.29 0.00 -2.02 0.00 0.00 58.31 53.30 3hux n LYS 109 Cb 0.00 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.19 3hux n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hux n GLY 110 N -0.62 -0.40 2.31 0.72 0.00 -1.14 -4.90 105.19 101.17 3hux n GLY 110 Ca 0.01 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3hux n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hux n PHE 111 N -4.50 2.90 0.17 1.61 3.72 -1.21 -4.92 117.46 115.23 3hux n PHE 111 Ca -0.07 -2.67 -0.15 0.00 -0.05 0.00 0.00 57.45 54.51 3hux n PHE 111 Cb 0.57 -0.21 -0.07 0.00 -0.94 0.00 0.00 39.48 38.83 3hux n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3hux h MET 112 N 2.44 -0.66 -0.87 -1.08 2.86 -1.87 -1.69 114.93 114.05 3hux h MET 112 Ca 0.29 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.10 3hux h MET 112 Cb 1.22 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.96 3hux h MET 112 CO 0.76 -0.44 0.56 -0.22 1.06 0.00 0.00 176.91 178.63 3hux h LYS 113 N -0.68 0.71 0.27 1.72 3.64 -1.96 0.16 116.57 120.43 3hux h LYS 113 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3hux h LYS 113 Cb 0.66 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3hux h LYS 113 CO -0.15 0.47 -0.17 0.82 -2.27 0.00 0.00 179.45 178.16 3hux h ILE 114 N 0.73 0.65 -0.18 2.00 1.08 -1.84 -0.85 117.51 119.10 3hux h ILE 114 Ca 0.43 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.89 3hux h ILE 114 Cb 0.62 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3hux h ILE 114 CO -0.19 0.00 0.08 0.58 -0.69 0.00 0.00 178.15 177.93 3hux h VAL 115 N -0.42 1.15 0.10 1.67 2.07 -0.23 -1.79 116.25 118.79 3hux h VAL 115 Ca -0.03 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hux h VAL 115 Cb 0.35 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3hux h VAL 115 CO 0.03 0.14 -0.38 0.77 0.02 0.00 0.00 177.57 178.15 3hux h SER 116 N 0.15 -1.10 -0.94 0.57 4.64 -0.74 -2.62 113.55 113.50 3hux h SER 116 Ca 0.06 0.13 0.27 0.00 -0.47 0.00 0.00 61.79 61.78 3hux h SER 116 Cb 0.15 0.42 -0.14 0.00 -0.31 0.00 0.00 62.40 62.51 3hux h SER 116 CO -0.01 -0.45 0.41 0.25 -0.87 0.00 0.00 176.83 176.16 3hux h LEU 117 N -0.60 0.28-10.18 5.97 6.46 -0.95 -3.43 115.31 112.87 3hux h LEU 117 Ca 0.03 0.19 -0.52 0.00 -0.12 0.00 0.00 57.88 57.46 3hux h LEU 117 Cb 0.63 0.19 0.12 0.00 -0.73 0.00 0.00 40.66 40.87 3hux h LEU 117 CO -0.23 -0.12 0.39 0.00 -0.62 0.00 0.00 178.44 177.85 3hux s ALA 118 N -5.80 2.36 -1.81 1.25 0.00 -0.69 -4.59 121.76 112.47 3hux s ALA 118 Ca -0.11 0.72 0.27 0.00 0.00 0.00 0.00 51.96 52.84 3hux s ALA 118 Cb 0.28 -3.39 1.53 0.00 0.00 0.00 0.00 23.12 21.54 3hux s ALA 118 CO 0.78 -1.46 1.95 -0.35 0.00 0.00 0.00 175.76 176.68 3hux n PRO 119 N -2.40 0.70 0.00 0.00 -0.04 -1.26 -4.80 135.00 127.19 3hux n PRO 119 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3hux n PRO 119 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3hux n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hux n GLU 120 N -1.09 0.00 -3.93 0.54 2.13 -1.26 -5.01 120.64 112.01 3hux n GLU 120 Ca 0.18 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.64 3hux n GLU 120 Cb 0.13 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.71 3hux n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hux s VAL 121 N -0.03 4.05 -0.37 6.31 1.01 -1.26 -2.57 120.40 127.54 3hux s VAL 121 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3hux s VAL 121 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3hux s VAL 121 CO 0.00 0.40 0.59 0.18 0.00 0.00 0.00 175.10 176.27