#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n THR 9 N 0.00 0.00 -0.10 2.46 -1.04 -1.26 -5.04 114.28 109.30 3hux n THR 9 Ca 0.00 -1.94 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 3hux n THR 9 Cb 0.00 -0.49 0.01 0.00 -1.82 0.00 0.00 70.33 68.02 3hux n THR 9 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hux n ARG 10 N -2.24 2.78 0.00 -2.82 1.74 -1.26 -5.04 116.66 109.82 3hux n ARG 10 Ca 0.15 -1.50 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 3hux n ARG 10 Cb 0.60 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 3hux n ARG 10 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hux n ASN 11 N -0.52 0.00 -0.75 0.55 4.13 -1.26 -4.98 115.26 112.43 3hux n ASN 11 Ca 0.01 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.22 3hux n ASN 11 Cb 0.28 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 3hux n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hux n GLY 12 N 3.98 0.28 3.48 7.41 0.00 -1.26 -5.05 105.19 114.03 3hux n GLY 12 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 3hux n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hux s ARG 13 N -4.54 1.66 -0.02 1.61 0.52 -1.26 -5.14 118.95 111.78 3hux s ARG 13 Ca 0.04 -1.85 -0.21 0.00 -0.52 0.00 0.00 55.73 53.19 3hux s ARG 13 Cb -0.02 -1.40 0.07 0.00 0.52 0.00 0.00 34.95 34.12 3hux s ARG 13 CO 0.05 0.09 0.94 -3.47 0.02 0.00 0.00 175.30 172.92 3hux n ASP 14 N -0.67 -0.86 -4.24 0.23 2.03 -1.26 -5.17 116.55 106.62 3hux n ASP 14 Ca -0.05 -1.16 -0.27 0.00 0.52 0.00 0.00 54.79 53.83 3hux n ASP 14 Cb 0.63 1.32 -0.15 0.00 -0.72 0.00 0.00 41.12 42.20 3hux n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hux s SER 15 N -3.07 2.50 -0.20 1.67 0.01 -1.26 -5.08 113.70 108.26 3hux s SER 15 Ca 0.22 -0.43 -0.36 0.00 1.31 0.00 0.00 55.95 56.69 3hux s SER 15 Cb -0.01 -0.26 -0.13 0.00 0.21 0.00 0.00 66.02 65.84 3hux s SER 15 CO -0.01 0.23 1.90 0.00 0.41 0.00 0.00 173.24 175.78 3hux n GLN 16 N 2.35 1.64 -1.11 12.44 10.64 -1.26 -4.86 117.38 137.21 3hux n GLN 16 Ca -0.16 0.58 -0.37 0.00 -1.83 0.00 0.00 57.00 55.22 3hux n GLN 16 Cb 0.53 -2.45 0.03 0.00 -0.86 0.00 0.00 30.24 27.49 3hux n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hux n ALA 17 N 6.95 -4.24 0.23 2.61 0.00 -1.26 -4.93 120.51 119.87 3hux n ALA 17 Ca 0.27 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.34 3hux n ALA 17 Cb 0.23 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3hux n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hux n LYS 18 N 1.84 4.85 -2.98 0.00 4.76 -1.26 -5.07 118.16 120.30 3hux n LYS 18 Ca 0.03 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 3hux n LYS 18 Cb 0.52 -0.78 0.01 0.00 -1.84 0.00 0.00 35.03 32.94 3hux n LYS 18 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hux n ARG 19 N -1.17 -2.04 -2.82 1.97 3.00 -1.26 -5.04 116.66 109.29 3hux n ARG 19 Ca 0.01 1.87 -0.20 0.00 -0.01 0.00 0.00 57.85 59.51 3hux n ARG 19 Cb 0.09 -5.35 0.08 0.00 0.00 0.00 0.00 32.46 27.28 3hux n ARG 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hux n LEU 20 N -0.76 0.00 0.00 0.55 4.77 -1.26 -4.98 117.00 115.31 3hux n LEU 20 Ca 0.06 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 3hux n LEU 20 Cb 0.49 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hux n LEU 20 CO 0.50 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 3hux n GLY 21 N -2.20 1.15 3.71 -0.72 0.00 0.25 -4.94 105.19 102.44 3hux n GLY 21 Ca 0.16 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3hux n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hux n VAL 22 N 0.56 0.83 -1.55 1.61 0.31 -1.26 -2.24 118.33 116.60 3hux n VAL 22 Ca 0.00 -0.21 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 3hux n VAL 22 Cb 0.00 -1.76 0.13 0.00 -0.91 0.00 0.00 33.84 31.30 3hux n VAL 22 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hux n LYS 23 N 2.36 1.06 -3.15 5.55 4.76 0.28 -4.91 118.16 124.11 3hux n LYS 23 Ca 0.11 -2.55 0.05 0.00 -2.87 0.00 0.00 58.31 53.05 3hux n LYS 23 Cb 0.34 -1.23 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 3hux n LYS 23 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hux s ARG 24 N -2.27 0.20 0.47 1.97 1.81 -1.21 -4.87 118.95 115.05 3hux s ARG 24 Ca 0.30 0.32 -0.06 0.00 -1.72 0.00 0.00 55.73 54.57 3hux s ARG 24 Cb 0.29 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.92 3hux s ARG 24 CO -0.03 -0.25 0.78 0.71 -0.68 0.00 0.00 175.30 175.83 3hux s TYR 25 N 2.95 3.55 -0.29 -0.53 1.51 -1.26 -4.96 117.35 118.32 3hux s TYR 25 Ca 0.05 0.84 -0.40 0.00 -1.01 0.00 0.00 57.07 56.55 3hux s TYR 25 Cb -0.09 -2.31 -0.15 0.00 -0.11 0.00 0.00 41.96 39.29 3hux s TYR 25 CO -0.14 -0.25 1.80 -1.91 -1.11 0.00 0.00 175.55 173.95 3hux n GLU 26 N -2.12 1.13 0.00 -0.62 2.13 -1.26 -1.22 120.64 118.68 3hux n GLU 26 Ca 0.01 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3hux n GLU 26 Cb 0.55 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3hux n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hux n GLY 27 N 4.54 0.71 3.86 8.31 0.00 -0.39 -4.97 105.19 117.24 3hux n GLY 27 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 3hux n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hux s GLN 28 N -0.93 3.74 -0.01 1.61 -0.21 -0.36 -4.87 119.66 118.63 3hux s GLN 28 Ca 0.00 0.18 -0.22 0.00 0.02 0.00 0.00 55.36 55.34 3hux s GLN 28 Cb 0.00 -3.16 -0.05 0.00 1.00 0.00 0.00 33.01 30.80 3hux s GLN 28 CO 0.00 0.69 0.66 0.08 -2.12 0.00 0.00 175.29 174.59 3hux s VAL 29 N -1.14 4.90 0.09 1.09 1.01 -1.26 -3.10 120.40 121.99 3hux s VAL 29 Ca 0.24 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3hux s VAL 29 Cb -0.15 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3hux s VAL 29 CO 0.12 0.37 0.00 1.33 0.00 0.00 0.00 175.10 176.92 3hux n VAL 30 N 3.00 0.00 -4.18 2.92 0.24 -0.70 -5.02 118.33 114.59 3hux n VAL 30 Ca -0.05 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 3hux n VAL 30 Cb 0.51 0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 3hux n VAL 30 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3hux s ARG 31 N -2.34 0.85 0.09 7.34 0.52 -1.26 -3.69 118.95 120.47 3hux s ARG 31 Ca 0.00 -1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 53.71 3hux s ARG 31 Cb 0.00 -0.46 -0.10 0.00 0.52 0.00 0.00 34.95 34.91 3hux s ARG 31 CO 0.00 0.06 1.89 0.00 0.02 0.00 0.00 175.30 177.27 3hux s ALA 32 N -2.70 3.70 0.00 2.13 0.00 -1.26 -2.39 121.76 121.24 3hux s ALA 32 Ca 0.07 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3hux s ALA 32 Cb -0.01 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3hux s ALA 32 CO -0.01 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.80 3hux n GLY 33 N 4.36 3.61 3.65 0.00 0.00 -0.97 -4.93 105.19 110.90 3hux n GLY 33 Ca 0.19 -1.00 -0.59 0.00 0.00 0.00 0.00 46.02 44.62 3hux n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hux n ASN 34 N 0.00 1.53 -4.69 1.61 4.13 -1.01 -4.47 115.26 112.36 3hux n ASN 34 Ca 0.00 1.13 -0.42 0.00 1.68 0.00 0.00 54.58 56.96 3hux n ASN 34 Cb 0.00 -1.06 -0.03 0.00 -1.54 0.00 0.00 39.78 37.15 3hux n ASN 34 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3hux s ILE 35 N 2.01 4.69 -0.06 2.41 -5.25 -1.26 -0.51 121.20 123.22 3hux s ILE 35 Ca 0.95 1.96 0.04 0.00 -0.99 0.00 0.00 60.65 62.61 3hux s ILE 35 Cb -1.17 -4.26 -0.25 0.00 2.95 0.00 0.00 42.46 39.74 3hux s ILE 35 CO 0.63 0.01 0.61 -0.07 -1.79 0.00 0.00 174.94 174.32 3hux h LEU 36 N 8.02 0.20 -7.73 0.37 3.38 0.16 -3.44 115.31 116.27 3hux h LEU 36 Ca -0.32 -0.40 -0.21 0.00 0.09 0.00 0.00 57.88 57.04 3hux h LEU 36 Cb 1.15 -0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 3hux h LEU 36 CO 0.86 1.36 -0.66 -0.69 0.09 0.00 0.00 178.44 179.40 3hux s VAL 37 N -2.59 0.02 -0.13 1.22 1.01 -0.67 1.00 120.40 120.25 3hux s VAL 37 Ca -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3hux s VAL 37 Cb 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.34 3hux s VAL 37 CO 0.81 -0.09 -0.22 -0.13 0.00 0.00 0.00 175.10 175.47 3hux s ARG 38 N -0.25 3.02 0.06 2.72 1.81 -0.95 -2.17 118.95 123.19 3hux s ARG 38 Ca -0.03 -0.86 -0.27 0.00 -1.72 0.00 0.00 55.73 52.85 3hux s ARG 38 Cb -0.02 -2.41 0.09 0.00 -0.45 0.00 0.00 34.95 32.15 3hux s ARG 38 CO 0.00 0.01 0.90 1.14 -0.68 0.00 0.00 175.30 176.67 3hux s GLN 39 N 0.74 0.98 -0.02 3.54 -2.07 -1.26 0.88 119.66 122.45 3hux s GLN 39 Ca -0.09 -0.44 -0.01 0.00 -1.82 0.00 0.00 55.36 53.00 3hux s GLN 39 Cb -0.16 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.16 3hux s GLN 39 CO -0.00 -0.44 -0.02 0.00 -1.32 0.00 0.00 175.29 173.51 3hux h ARG 40 N 2.00 0.00 0.00 9.60 -0.00 -1.89 -3.43 114.38 120.66 3hux h ARG 40 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 3hux h ARG 40 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 3hux h ARG 40 CO 0.29 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.67 3hux n GLY 41 N 1.76 -1.34 2.50 0.04 0.00 -1.26 -4.77 105.19 102.12 3hux n GLY 41 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3hux n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hux n THR 42 N 0.00 1.78 -0.48 2.61 5.66 -1.26 -4.82 114.28 117.77 3hux n THR 42 Ca 0.00 -3.57 0.40 0.00 -3.05 0.00 0.00 64.05 57.83 3hux n THR 42 Cb 0.00 0.15 0.66 0.00 -1.55 0.00 0.00 70.33 69.59 3hux n THR 42 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hux n ARG 43 N -0.57 -0.03 -4.24 1.09 1.74 -1.26 -4.09 116.66 109.31 3hux n ARG 43 Ca 0.23 1.15 -0.20 0.00 -0.77 0.00 0.00 57.85 58.26 3hux n ARG 43 Cb 0.85 -2.32 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 3hux n ARG 43 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hux s PHE 44 N -5.08 1.49 0.18 -1.55 0.40 -1.26 -4.45 117.98 107.71 3hux s PHE 44 Ca -0.07 -0.47 0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3hux s PHE 44 Cb 0.28 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 3hux s PHE 44 CO 0.78 0.15 -0.23 0.15 0.70 0.00 0.00 175.22 176.77 3hux s LYS 45 N -2.13 1.46 0.85 0.44 1.02 0.12 -4.99 119.74 116.51 3hux s LYS 45 Ca 0.05 -1.49 -0.13 0.00 0.02 0.00 0.00 55.97 54.42 3hux s LYS 45 Cb -0.08 -1.75 0.04 0.00 -0.52 0.00 0.00 37.83 35.52 3hux s LYS 45 CO 0.03 0.38 0.70 -0.35 -0.92 0.00 0.00 175.35 175.19 3hux n PRO 46 N 0.32 -0.04 0.00 -1.68 -0.04 -1.26 -2.48 135.00 129.82 3hux n PRO 46 Ca -0.13 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3hux n PRO 46 Cb 0.56 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3hux n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hux n GLY 47 N 1.20 5.21 3.64 0.55 0.00 -0.99 -4.55 105.19 110.25 3hux n GLY 47 Ca 0.10 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3hux n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 48 N 4.47 4.11 -1.18 1.61 1.02 -1.26 -3.46 119.74 125.05 3hux s LYS 48 Ca 0.00 1.00 -0.02 0.00 0.02 0.00 0.00 55.97 56.97 3hux s LYS 48 Cb 0.00 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3hux s LYS 48 CO 0.00 -0.71 0.99 0.09 -0.92 0.00 0.00 175.35 174.80 3hux n ASN 49 N 6.41 -2.85 -3.27 2.83 3.02 -1.26 -0.18 115.26 119.97 3hux n ASN 49 Ca 0.09 -0.58 -0.17 0.00 -0.03 0.00 0.00 54.58 53.89 3hux n ASN 49 Cb 0.47 -4.91 -0.07 0.00 -0.61 0.00 0.00 39.78 34.66 3hux n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hux s VAL 50 N -3.34 -0.29 0.62 2.41 1.01 -1.22 -2.21 120.40 117.37 3hux s VAL 50 Ca 0.11 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 3hux s VAL 50 Cb -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3hux s VAL 50 CO 0.70 -0.64 1.01 -0.83 0.00 0.00 0.00 175.10 175.34 3hux s GLY 51 N 1.01 1.63 0.14 4.51 0.00 -1.17 -3.05 107.32 110.39 3hux s GLY 51 Ca 0.23 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.80 3hux s GLY 51 CO -0.07 0.06 -0.17 -3.16 0.00 0.00 0.00 173.10 169.77 3hux s MET 52 N -5.16 1.17 0.61 2.90 0.23 -1.26 -1.48 119.30 116.31 3hux s MET 52 Ca 0.55 -1.33 0.06 0.00 -1.03 0.00 0.00 55.69 53.94 3hux s MET 52 Cb -0.11 -1.16 0.09 0.00 -1.53 0.00 0.00 34.83 32.13 3hux s MET 52 CO 0.52 0.23 0.84 0.20 -2.03 0.00 0.00 175.02 174.79 3hux s GLY 53 N -2.55 1.75 0.30 3.16 0.00 -0.15 -4.83 107.32 105.00 3hux s GLY 53 Ca 0.13 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 42.89 3hux s GLY 53 CO 0.05 -1.50 1.60 3.21 0.00 0.00 0.00 173.10 176.46 3hux h ARG 54 N -0.02 0.06 -0.24 2.90 3.08 -2.02 1.13 114.38 119.27 3hux h ARG 54 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3hux h ARG 54 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3hux h ARG 54 CO 0.41 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 178.95 3hux n ASP 55 N -5.40 1.36 -0.40 7.04 5.68 -1.26 -4.87 116.55 118.71 3hux n ASP 55 Ca 0.23 -1.95 -0.02 0.00 -0.50 0.00 0.00 54.79 52.54 3hux n ASP 55 Cb 0.75 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 3hux n ASP 55 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3hux n PHE 56 N 0.23 -0.15 -3.39 2.11 3.72 0.39 -4.67 117.46 115.69 3hux n PHE 56 Ca 0.10 0.03 -0.44 0.00 -0.05 0.00 0.00 57.45 57.09 3hux n PHE 56 Cb 0.22 -1.31 -0.09 0.00 -0.94 0.00 0.00 39.48 37.36 3hux n PHE 56 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3hux s THR 57 N -2.38 5.21 0.21 4.37 2.01 -1.21 -4.34 115.64 119.51 3hux s THR 57 Ca 0.02 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3hux s THR 57 Cb -0.01 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 3hux s THR 57 CO 0.02 -0.47 1.24 -0.76 -0.69 0.00 0.00 174.62 173.97 3hux s LEU 58 N 1.78 4.44 -0.05 4.42 1.43 -0.92 -0.98 118.68 128.80 3hux s LEU 58 Ca 0.06 2.35 -0.07 0.00 -1.03 0.00 0.00 54.13 55.44 3hux s LEU 58 Cb -0.21 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.41 3hux s LEU 58 CO 0.09 -0.43 0.17 0.72 0.23 0.00 0.00 176.35 177.13 3hux s PHE 59 N -0.19 -0.14 0.54 0.29 -0.12 -0.55 0.88 117.98 118.69 3hux s PHE 59 Ca 0.53 0.33 -0.20 0.00 -0.05 0.00 0.00 56.93 57.55 3hux s PHE 59 Cb -0.35 0.04 -0.08 0.00 -0.63 0.00 0.00 43.02 42.00 3hux s PHE 59 CO 0.39 -0.14 0.75 0.00 -0.05 0.00 0.00 175.22 176.17 3hux n ALA 60 N 2.61 -0.52 0.15 1.99 0.00 0.33 -3.06 120.51 122.01 3hux n ALA 60 Ca -0.15 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.36 3hux n ALA 60 Cb 0.58 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 3hux n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hux n LEU 61 N 0.19 0.15 -3.55 0.00 4.77 -0.94 -2.29 117.00 115.32 3hux n LEU 61 Ca 0.12 -0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 3hux n LEU 61 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3hux n LEU 61 CO 0.52 0.04 0.35 0.68 -1.33 0.00 0.00 177.39 177.64 3hux s VAL 62 N -1.63 0.01 0.09 4.08 -7.23 -1.26 -4.83 120.40 109.63 3hux s VAL 62 Ca 0.01 -0.12 -0.31 0.00 -1.81 0.00 0.00 61.98 59.75 3hux s VAL 62 Cb 0.03 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.92 3hux s VAL 62 CO 0.18 -0.06 1.73 -1.81 -0.31 0.00 0.00 175.10 174.82 3hux s ASP 63 N -1.59 6.53 0.00 4.85 1.11 -1.26 -4.16 116.67 122.14 3hux s ASP 63 Ca -0.08 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.25 3hux s ASP 63 Cb -0.01 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 3hux s ASP 63 CO 0.04 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.06 3hux n GLY 64 N 4.09 -0.58 3.81 0.21 0.00 -1.24 -3.17 105.19 108.31 3hux n GLY 64 Ca 0.17 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 3hux n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hux s VAL 65 N -3.12 2.98 -0.09 1.61 1.01 -0.97 -1.72 120.40 120.11 3hux s VAL 65 Ca 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 3hux s VAL 65 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3hux s VAL 65 CO 0.00 -0.10 -0.01 -0.69 0.00 0.00 0.00 175.10 174.30 3hux s VAL 66 N -2.42 4.19 -0.01 2.92 1.01 -1.18 -2.00 120.40 122.91 3hux s VAL 66 Ca 0.42 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3hux s VAL 66 Cb -0.03 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3hux s VAL 66 CO 0.25 0.60 -0.10 -1.83 0.00 0.00 0.00 175.10 174.02 3hux s GLU 67 N -0.81 0.81 -0.67 2.72 -1.05 -0.74 -1.27 118.70 117.70 3hux s GLU 67 Ca 0.12 -0.38 -0.05 0.00 -0.15 0.00 0.00 54.97 54.51 3hux s GLU 67 Cb -0.11 -0.78 0.17 0.00 -0.44 0.00 0.00 34.13 32.97 3hux s GLU 67 CO 0.02 0.21 0.52 -0.06 0.95 0.00 0.00 175.26 176.90 3hux s PHE 68 N -0.27 3.49 -0.22 4.83 0.40 -1.26 -0.49 117.98 124.46 3hux s PHE 68 Ca 0.04 -2.55 -0.27 0.00 -0.60 0.00 0.00 56.93 53.55 3hux s PHE 68 Cb -0.04 -3.34 0.00 0.00 0.51 0.00 0.00 43.02 40.15 3hux s PHE 68 CO -0.00 -0.87 0.95 -1.14 0.70 0.00 0.00 175.22 174.85 3hux s GLN 69 N -0.01 4.24 -0.28 0.44 0.74 0.85 -4.86 119.66 120.77 3hux s GLN 69 Ca 0.17 1.19 -0.17 0.00 0.05 0.00 0.00 55.36 56.61 3hux s GLN 69 Cb -0.18 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 3hux s GLN 69 CO -0.05 -0.56 0.45 0.34 -0.55 0.00 0.00 175.29 174.93 3hux s ASP 70 N 1.24 6.33 -0.75 6.67 2.15 -1.26 0.11 116.67 131.16 3hux s ASP 70 Ca 0.41 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.71 3hux s ASP 70 Cb -0.15 -2.25 0.36 0.00 -0.30 0.00 0.00 42.92 40.58 3hux s ASP 70 CO 0.07 -0.28 1.67 0.54 -0.17 0.00 0.00 175.17 177.01 3hux n ARG 71 N 5.48 3.37 0.00 4.34 5.12 0.83 -4.99 116.66 130.82 3hux n ARG 71 Ca -0.06 -4.06 0.00 0.00 -1.93 0.00 0.00 57.85 51.80 3hux n ARG 71 Cb 0.50 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 3hux n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hux n GLY 72 N -0.43 2.66 0.00 -0.13 0.00 -1.26 0.16 105.19 106.20 3hux n GLY 72 Ca 0.47 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.53 3hux n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux n ARG 73 N 14.00 0.62 -0.03 1.61 5.12 -1.26 -2.50 116.66 134.22 3hux n ARG 73 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 3hux n ARG 73 Cb 0.00 -1.47 0.50 0.00 -1.16 0.00 0.00 32.46 30.32 3hux n ARG 73 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hux n LEU 74 N -0.97 1.32 0.00 0.55 4.77 0.43 -5.05 117.00 118.05 3hux n LEU 74 Ca 0.14 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3hux n LEU 74 Cb 0.07 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hux n LEU 74 CO 0.11 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3hux n GLY 75 N 1.11 -1.79 3.22 -0.72 0.00 -1.04 -4.84 105.19 101.13 3hux n GLY 75 Ca 0.18 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 3hux n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hux s ARG 76 N 0.00 1.85 0.17 1.61 0.52 -1.26 -0.12 118.95 121.72 3hux s ARG 76 Ca 0.00 -0.75 0.11 0.00 -0.52 0.00 0.00 55.73 54.56 3hux s ARG 76 Cb 0.00 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3hux s ARG 76 CO 0.00 0.41 -0.23 0.71 0.02 0.00 0.00 175.30 176.21 3hux s TYR 77 N -0.35 2.36 -0.20 -0.53 1.51 0.30 0.12 117.35 120.55 3hux s TYR 77 Ca 0.04 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3hux s TYR 77 Cb -0.10 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.61 3hux s TYR 77 CO 0.00 0.45 -0.02 0.08 -1.11 0.00 0.00 175.55 174.95 3hux s VAL 78 N -1.47 1.05 0.54 0.71 1.01 -1.04 -0.11 120.40 121.09 3hux s VAL 78 Ca 0.19 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3hux s VAL 78 Cb -0.09 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.98 3hux s VAL 78 CO 0.09 -0.07 0.51 1.41 0.00 0.00 0.00 175.10 177.04 3hux n HIS 79 N 4.87 -1.09 -3.45 5.22 -0.00 0.35 -2.33 115.22 118.79 3hux n HIS 79 Ca -0.11 -2.20 -0.20 0.00 -0.00 0.00 0.00 57.72 55.21 3hux n HIS 79 Cb 0.46 -0.46 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 3hux n HIS 79 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3hux s VAL 80 N -2.61 -0.31 -0.60 1.59 1.01 0.75 -1.78 120.40 118.45 3hux s VAL 80 Ca 0.38 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3hux s VAL 80 Cb -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.45 3hux s VAL 80 CO 0.24 -0.50 1.04 0.00 0.00 0.00 0.00 175.10 175.88 3hux s ARG 81 N 2.29 3.32 0.99 2.72 1.70 -0.85 -4.55 118.95 124.58 3hux s ARG 81 Ca 0.09 -0.24 -0.16 0.00 -0.47 0.00 0.00 55.73 54.94 3hux s ARG 81 Cb -0.15 -4.09 -0.05 0.00 -0.57 0.00 0.00 34.95 30.10 3hux s ARG 81 CO -0.31 -1.65 -0.28 -0.35 -1.08 0.00 0.00 175.30 171.63 3hux n PRO 82 N 7.92 -0.31 -2.08 3.89 -0.04 -1.26 -2.29 135.00 140.83 3hux n PRO 82 Ca 0.02 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 3hux n PRO 82 Cb 0.48 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3hux n PRO 82 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3hux s LEU 83 N 3.11 3.72 0.00 1.53 0.05 -1.19 -4.72 118.68 121.18 3hux s LEU 83 Ca 0.48 1.45 0.24 0.00 0.05 0.00 0.00 54.13 56.36 3hux s LEU 83 Cb -0.16 -3.53 0.19 0.00 -2.05 0.00 0.00 46.19 40.64 3hux s LEU 83 CO 0.73 -1.45 1.25 0.00 -0.55 0.00 0.00 176.35 176.33