#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n VAL 3 N 0.00 0.00 -0.02 5.15 0.31 -1.26 -4.75 118.33 117.76 3hux n VAL 3 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3hux n VAL 3 Cb 0.00 -0.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.43 3hux n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3hux n LYS 4 N -1.37 0.75 -0.62 5.55 2.85 -1.26 -5.06 118.16 118.99 3hux n LYS 4 Ca 0.00 -0.09 -0.20 0.00 -1.05 0.00 0.00 58.31 56.97 3hux n LYS 4 Cb 0.19 -1.30 -0.00 0.00 -0.65 0.00 0.00 35.03 33.27 3hux n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3hux n MET 5 N -2.04 0.00 -3.72 -1.58 2.81 -1.26 -4.99 117.12 106.34 3hux n MET 5 Ca -0.06 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.81 3hux n MET 5 Cb 0.45 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.47 3hux n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3hux s HIS 6 N -0.77 -0.09 0.00 2.03 -3.43 -1.26 -5.06 115.29 106.70 3hux s HIS 6 Ca 0.29 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 3hux s HIS 6 Cb -0.32 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 3hux s HIS 6 CO 0.30 -0.66 0.00 0.28 -2.00 0.00 0.00 174.74 172.66 3hux n VAL 7 N -0.49 0.00 -1.96 -5.38 0.31 -1.26 -4.71 118.33 104.85 3hux n VAL 7 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3hux n VAL 7 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3hux n VAL 7 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3hux n LYS 8 N -2.87 0.00 0.00 5.55 -0.00 -1.26 -4.88 118.16 114.70 3hux n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3hux n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3hux n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3hux n LYS 9 N 0.00 0.00 -2.85 -1.58 2.85 -1.26 -5.02 118.16 110.30 3hux n LYS 9 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 3hux n LYS 9 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 3hux n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hux s GLY 10 N 0.00 1.92 0.00 2.58 0.00 -1.26 -3.62 107.32 106.94 3hux s GLY 10 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 44.72 41.87 3hux s GLY 10 CO 0.00 2.18 0.00 2.09 0.00 0.00 0.00 173.10 177.37 3hux n ASP 11 N 6.83 0.00 -4.73 1.64 5.68 -1.26 -4.78 116.55 119.93 3hux n ASP 11 Ca 0.30 -0.45 -0.40 0.00 -0.50 0.00 0.00 54.79 53.75 3hux n ASP 11 Cb 0.48 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.41 3hux n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hux s THR 12 N -2.42 4.89 -0.01 2.12 2.01 -1.26 -1.17 115.64 119.80 3hux s THR 12 Ca 0.00 1.56 -0.17 0.00 0.31 0.00 0.00 61.69 63.39 3hux s THR 12 Cb 0.00 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.45 3hux s THR 12 CO 0.00 0.31 0.36 0.68 -0.69 0.00 0.00 174.62 175.28 3hux s VAL 13 N 0.37 0.05 0.16 3.82 -7.23 0.79 -3.23 120.40 115.14 3hux s VAL 13 Ca 0.39 -0.44 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 3hux s VAL 13 Cb -0.19 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 3hux s VAL 13 CO 0.21 -0.24 0.51 -0.22 -0.31 0.00 0.00 175.10 175.04 3hux s LEU 14 N -1.47 4.28 -0.54 1.32 2.96 0.17 -0.21 118.68 125.18 3hux s LEU 14 Ca -0.11 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3hux s LEU 14 Cb -0.04 -3.36 0.14 0.00 0.50 0.00 0.00 46.19 43.44 3hux s LEU 14 CO 0.03 0.05 0.35 -0.69 -1.32 0.00 0.00 176.35 174.78 3hux s VAL 15 N -1.59 3.53 -0.13 1.68 1.01 -0.22 -0.51 120.40 124.17 3hux s VAL 15 Ca 0.40 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.74 3hux s VAL 15 Cb -0.13 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.02 3hux s VAL 15 CO 0.20 -0.81 1.64 0.00 0.00 0.00 0.00 175.10 176.13 3hux n ALA 16 N 3.88 3.92 -1.00 5.51 0.00 -0.39 -0.68 120.51 131.74 3hux n ALA 16 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3hux n ALA 16 Cb 0.39 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3hux n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hux n SER 17 N 0.58 0.00 0.00 0.00 3.41 -1.24 -4.88 113.62 111.49 3hux n SER 17 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3hux n SER 17 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3hux n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hux n GLY 18 N 1.94 0.79 0.33 5.00 0.00 -1.26 -4.62 105.19 107.36 3hux n GLY 18 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3hux n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hux h LYS 19 N 0.00 0.00 -0.36 1.61 3.64 -1.98 -1.30 116.57 118.18 3hux h LYS 19 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3hux h LYS 19 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3hux h LYS 19 CO 0.00 0.00 0.02 0.66 -2.27 0.00 0.00 179.45 177.86 3hux n TYR 20 N -3.55 1.20 -1.25 1.91 4.02 -1.26 -5.03 117.16 113.20 3hux n TYR 20 Ca -0.01 -1.21 -0.39 0.00 -0.01 0.00 0.00 57.90 56.28 3hux n TYR 20 Cb 0.20 -0.44 0.01 0.00 -0.02 0.00 0.00 39.34 39.10 3hux n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3hux n LYS 21 N -0.74 0.04 -3.44 -0.72 3.00 -0.49 -3.64 118.16 112.17 3hux n LYS 21 Ca 0.29 0.02 -0.25 0.00 -0.00 0.00 0.00 58.31 58.36 3hux n LYS 21 Cb 1.02 -1.06 0.02 0.00 0.00 0.00 0.00 35.03 35.00 3hux n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hux n GLY 22 N 2.51 -0.69 3.39 3.14 0.00 0.14 -4.92 105.19 108.75 3hux n GLY 22 Ca 0.08 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 3hux n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hux s ARG 23 N -3.30 0.56 -0.07 1.61 0.52 -1.24 -4.91 118.95 112.12 3hux s ARG 23 Ca 0.20 0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 56.00 3hux s ARG 23 Cb -0.03 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 3hux s ARG 23 CO 0.85 -0.09 0.38 0.08 0.02 0.00 0.00 175.30 176.54 3hux s VAL 24 N 0.49 5.16 0.01 3.52 1.01 -1.26 -1.06 120.40 128.28 3hux s VAL 24 Ca -0.02 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 3hux s VAL 24 Cb -0.04 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hux s VAL 24 CO -0.02 0.49 -0.00 -0.83 0.00 0.00 0.00 175.10 174.73 3hux s GLY 25 N -0.37 0.17 0.00 4.51 0.00 0.70 -4.95 107.32 107.38 3hux s GLY 25 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3hux s GLY 25 CO 0.10 -0.47 0.00 1.17 0.00 0.00 0.00 173.10 173.90 3hux n LYS 26 N 1.92 2.33 -0.85 2.90 4.81 -1.26 -0.15 118.16 127.86 3hux n LYS 26 Ca -0.21 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.87 3hux n LYS 26 Cb 0.56 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.71 3hux n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3hux n VAL 27 N -0.05 0.00 -2.14 3.15 0.31 -0.31 -4.36 118.33 114.92 3hux n VAL 27 Ca 0.00 -0.17 0.03 0.00 -0.01 0.00 0.00 64.34 64.18 3hux n VAL 27 Cb 0.00 -0.29 0.03 0.00 -0.91 0.00 0.00 33.84 32.67 3hux n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3hux n LYS 28 N 0.33 0.17 -3.16 5.55 0.00 -1.24 -2.33 118.16 117.48 3hux n LYS 28 Ca -0.00 -1.68 -0.02 0.00 -0.00 0.00 0.00 58.31 56.61 3hux n LYS 28 Cb 0.68 -0.41 0.00 0.00 -0.00 0.00 0.00 35.03 35.30 3hux n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3hux n GLU 29 N 0.06 -0.55 -1.40 -1.58 4.71 -1.26 -0.73 120.64 119.89 3hux n GLU 29 Ca 0.05 -0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 56.55 3hux n GLU 29 Cb 0.89 0.29 -0.00 0.00 -1.01 0.00 0.00 31.44 31.61 3hux n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3hux n VAL 30 N -0.91 1.45 0.00 2.62 0.31 -1.26 -4.65 118.33 115.89 3hux n VAL 30 Ca -0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3hux n VAL 30 Cb 0.04 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3hux n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hux n LEU 31 N 1.71 0.98 -0.17 7.52 7.99 -1.12 -5.00 117.00 128.91 3hux n LEU 31 Ca 0.12 0.11 0.02 0.00 -0.01 0.00 0.00 56.01 56.25 3hux n LEU 31 Cb 0.37 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.72 3hux n LEU 31 CO 0.55 0.00 0.45 -0.81 -1.51 0.00 0.00 177.39 176.07 3hux n PRO 32 N -0.27 1.71 0.00 3.23 -0.04 -1.26 -4.93 135.00 133.44 3hux n PRO 32 Ca 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 3hux n PRO 32 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3hux n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hux n LYS 33 N -0.06 0.00 0.00 0.54 5.02 -1.26 0.30 118.16 122.70 3hux n LYS 33 Ca 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3hux n LYS 33 Cb 0.22 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hux n LYS 33 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hux n LYS 34 N -0.80 -0.31 -3.53 1.97 4.81 -1.26 -5.05 118.16 113.99 3hux n LYS 34 Ca 0.00 -0.16 -0.25 0.00 -0.87 0.00 0.00 58.31 57.03 3hux n LYS 34 Cb 0.01 -0.66 0.05 0.00 0.02 0.00 0.00 35.03 34.45 3hux n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3hux n TYR 35 N -0.00 -2.13 -4.15 5.64 9.36 0.88 -4.92 117.16 121.85 3hux n TYR 35 Ca 0.00 0.61 -0.16 0.00 3.32 0.00 0.00 57.90 61.67 3hux n TYR 35 Cb 0.17 -3.66 -0.06 0.00 -0.63 0.00 0.00 39.34 35.16 3hux n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hux s ALA 36 N -3.41 1.07 0.00 2.98 0.00 -1.26 -1.78 121.76 119.36 3hux s ALA 36 Ca 0.45 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3hux s ALA 36 Cb -0.13 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.25 3hux s ALA 36 CO 0.82 -0.74 0.00 1.33 0.00 0.00 0.00 175.76 177.17 3hux n VAL 37 N -0.56 0.00 0.00 0.00 0.24 0.56 -2.78 118.33 115.80 3hux n VAL 37 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3hux n VAL 37 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3hux n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hux n ILE 38 N 0.00 0.00 0.00 1.34 2.08 0.09 -4.43 119.36 118.44 3hux n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3hux n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3hux n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3hux n VAL 39 N -1.34 0.00 -1.27 1.39 0.31 -0.99 -4.13 118.33 112.30 3hux n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hux n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hux n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hux n GLU 40 N 1.83 0.00 0.00 5.55 -0.58 -1.26 -4.62 120.64 121.56 3hux n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hux n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3hux n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hux n GLY 41 N 0.00 -2.02 0.00 0.62 0.00 -1.26 -4.80 105.19 97.73 3hux n GLY 41 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3hux n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hux n VAL 42 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.61 118.33 114.38 3hux n VAL 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hux n VAL 42 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hux n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hux n ASN 43 N 0.00 0.00 -0.02 4.52 4.13 -1.26 0.08 115.26 122.71 3hux n ASN 43 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3hux n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3hux n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hux n ILE 44 N -0.61 -0.24 -3.84 2.41 5.41 -1.26 -3.60 119.36 117.63 3hux n ILE 44 Ca 0.00 0.02 -0.35 0.00 1.00 0.00 0.00 62.75 63.42 3hux n ILE 44 Cb 0.00 -0.03 -0.09 0.00 -0.71 0.00 0.00 39.64 38.81 3hux n ILE 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hux s VAL 45 N -3.62 5.15 0.00 1.39 0.11 -1.26 -4.16 120.40 118.01 3hux s VAL 45 Ca 0.00 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3hux s VAL 45 Cb 0.00 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 3hux s VAL 45 CO 0.00 0.45 0.00 1.17 -3.33 0.00 0.00 175.10 173.39 3hux n LYS 46 N 3.51 2.21 -2.02 1.54 4.81 -1.26 -4.84 118.16 122.11 3hux n LYS 46 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.20 3hux n LYS 46 Cb 0.52 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.58 3hux n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3hux n LYS 47 N -0.37 1.04 0.00 1.64 -0.00 -1.26 -3.92 118.16 115.29 3hux n LYS 47 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.14 3hux n LYS 47 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.06 3hux n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hux n ALA 48 N -2.68 0.00 -0.72 0.58 0.00 -1.24 -4.14 120.51 112.31 3hux n ALA 48 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hux n ALA 48 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3hux n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hux n VAL 49 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.66 118.33 112.64 3hux n VAL 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hux n VAL 49 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3hux n VAL 49 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hux n ARG 50 N 0.00 0.00 0.00 7.34 1.74 -1.26 -3.58 116.66 120.90 3hux n ARG 50 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hux n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hux n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hux n VAL 51 N 0.00 0.00 0.00 1.55 0.31 -1.26 -4.91 118.33 114.02 3hux n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hux n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hux n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hux n SER 52 N 0.00 0.00 -4.06 4.52 3.41 -1.24 -5.09 113.62 111.17 3hux n SER 52 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 3hux n SER 52 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3hux n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hux n PRO 53 N 0.00 -0.29 0.00 4.33 -0.02 -1.26 -4.48 135.00 133.28 3hux n PRO 53 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3hux n PRO 53 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3hux n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hux n LYS 54 N 1.61 0.00 -3.16 -0.52 4.76 -1.26 -2.45 118.16 117.14 3hux n LYS 54 Ca -0.01 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3hux n LYS 54 Cb 0.71 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 3hux n LYS 54 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3hux s TYR 55 N -2.11 -1.71 0.00 2.13 2.02 -1.26 -5.13 117.35 111.28 3hux s TYR 55 Ca 0.00 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 3hux s TYR 55 Cb 0.00 0.31 0.00 0.00 -0.40 0.00 0.00 41.96 41.87 3hux s TYR 55 CO 0.00 -1.19 0.00 -2.30 -1.57 0.00 0.00 175.55 170.49 3hux n PRO 56 N 4.26 0.00 -2.55 -1.71 -0.02 -1.02 -4.94 135.00 129.02 3hux n PRO 56 Ca 0.12 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.56 3hux n PRO 56 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 3hux n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hux n GLN 57 N 0.00 -4.52 -2.40 -0.52 1.13 -1.26 -4.01 117.38 105.80 3hux n GLN 57 Ca 0.00 3.37 -0.37 0.00 -1.94 0.00 0.00 57.00 58.06 3hux n GLN 57 Cb 0.00 -4.64 -0.03 0.00 0.11 0.00 0.00 30.24 25.68 3hux n GLN 57 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hux s GLY 58 N -0.59 1.02 0.38 1.08 0.00 -1.26 -4.82 107.32 103.13 3hux s GLY 58 Ca -0.19 -2.36 -0.06 0.00 0.00 0.00 0.00 44.72 42.11 3hux s GLY 58 CO 0.51 2.99 0.29 0.61 0.00 0.00 0.00 173.10 177.50 3hux n GLY 59 N 6.16 -3.08 0.00 0.20 0.00 -1.26 -4.93 105.19 102.28 3hux n GLY 59 Ca 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3hux n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hux n PHE 60 N -3.45 0.00 -3.98 1.61 7.35 -1.26 -3.67 117.46 114.05 3hux n PHE 60 Ca 0.04 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.50 3hux n PHE 60 Cb 0.17 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.83 3hux n PHE 60 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3hux s ILE 61 N 0.00 0.67 0.00 -2.13 1.01 -1.25 -4.23 121.20 115.27 3hux s ILE 61 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3hux s ILE 61 Cb 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3hux s ILE 61 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 174.94 174.61 3hux n GLU 62 N 4.69 0.00 -0.37 2.79 4.71 -1.26 -4.72 120.64 126.47 3hux n GLU 62 Ca -0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.73 3hux n GLU 62 Cb 0.50 0.00 0.25 0.00 -1.01 0.00 0.00 31.44 31.19 3hux n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hux n LYS 63 N 0.00 -3.67 -3.09 3.49 4.76 -1.26 -4.68 118.16 113.71 3hux n LYS 63 Ca 0.00 -1.08 -0.32 0.00 -2.87 0.00 0.00 58.31 54.04 3hux n LYS 63 Cb 0.00 -1.87 -0.05 0.00 -1.84 0.00 0.00 35.03 31.26 3hux n LYS 63 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hux s GLU 64 N -4.49 3.94 -0.10 1.97 8.01 -1.26 -4.14 118.70 122.63 3hux s GLU 64 Ca 0.61 0.61 -0.03 0.00 0.01 0.00 0.00 54.97 56.17 3hux s GLU 64 Cb -0.14 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.22 3hux s GLU 64 CO 0.55 0.12 0.02 0.00 0.01 0.00 0.00 175.26 175.96 3hux s ALA 65 N -2.07 3.37 0.00 5.21 0.00 0.11 -4.91 121.76 123.47 3hux s ALA 65 Ca 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3hux s ALA 65 Cb -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3hux s ALA 65 CO 0.21 0.57 0.00 -2.30 0.00 0.00 0.00 175.76 174.24 3hux n PRO 66 N 2.20 0.00 -0.78 0.00 -0.02 -1.26 -4.64 135.00 130.50 3hux n PRO 66 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3hux n PRO 66 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3hux n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hux n LEU 67 N 0.00 -1.60 -4.68 2.45 7.94 -1.26 -2.84 117.00 117.01 3hux n LEU 67 Ca 0.00 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.44 3hux n LEU 67 Cb 0.00 -0.80 -0.04 0.00 0.53 0.00 0.00 43.42 43.11 3hux n LEU 67 CO 0.00 0.00 1.36 1.57 -1.11 0.00 0.00 177.39 179.21 3hux n HIS 68 N 0.59 2.37 0.24 1.96 -0.00 -1.26 -0.32 115.22 118.79 3hux n HIS 68 Ca 0.00 0.09 0.11 0.00 -0.00 0.00 0.00 57.72 57.92 3hux n HIS 68 Cb 0.00 -2.62 0.43 0.00 -0.00 0.00 0.00 29.99 27.80 3hux n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hux h ALA 69 N 7.61 1.89 0.00 1.57 0.00 -1.59 -0.12 119.26 128.62 3hux h ALA 69 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3hux h ALA 69 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hux h ALA 69 CO 0.92 -0.82 -0.45 1.03 0.00 0.00 0.00 179.25 179.94 3hux h SER 70 N 0.00 0.00 0.25 0.00 0.87 -1.87 -3.16 113.55 109.64 3hux h SER 70 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hux h SER 70 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3hux h SER 70 CO -0.00 0.45 -0.03 0.29 -0.53 0.00 0.00 176.83 177.00 3hux n LYS 71 N -3.47 0.82 -3.89 2.24 5.02 -0.06 -4.80 118.16 114.02 3hux n LYS 71 Ca 0.00 -0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 55.77 3hux n LYS 71 Cb 0.59 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 3hux n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hux s VAL 72 N -2.29 5.48 -0.03 -0.18 1.01 -1.20 -1.27 120.40 121.93 3hux s VAL 72 Ca 0.36 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3hux s VAL 72 Cb 0.21 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3hux s VAL 72 CO 0.42 0.57 -0.04 -0.13 0.00 0.00 0.00 175.10 175.92 3hux s ARG 73 N -1.18 0.62 0.71 2.72 0.52 0.33 -4.97 118.95 117.69 3hux s ARG 73 Ca 0.17 -0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 3hux s ARG 73 Cb -0.12 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.72 3hux s ARG 73 CO 0.06 -0.02 1.09 -1.25 0.02 0.00 0.00 175.30 175.20 3hux s PRO 74 N 0.59 2.85 -0.14 3.54 0.04 -1.26 0.45 135.00 141.06 3hux s PRO 74 Ca -0.07 0.51 -0.19 0.00 0.04 0.00 0.00 61.00 61.30 3hux s PRO 74 Cb -0.11 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.47 3hux s PRO 74 CO -0.00 -1.06 0.49 -1.50 0.04 0.00 0.00 177.00 174.97 3hux s ILE 75 N -3.32 0.01 -0.28 0.56 2.07 -1.20 -4.21 121.20 114.83 3hux s ILE 75 Ca 0.58 -0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.50 3hux s ILE 75 Cb -0.11 -0.72 0.13 0.00 0.13 0.00 0.00 42.46 41.89 3hux s ILE 75 CO 0.52 -0.05 1.03 0.00 -1.91 0.00 0.00 174.94 174.54 3hux n PRO 77 N 2.45 -0.50 0.00 0.00 -0.02 -1.26 -4.56 135.00 131.10 3hux n PRO 77 Ca -0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3hux n PRO 77 Cb 0.56 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 3hux n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hux n ALA 78 N -1.20 0.00 -3.00 3.55 0.00 -1.26 -3.74 120.51 114.85 3hux n ALA 78 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hux n ALA 78 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3hux n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n GLY 80 N 3.97 0.00 0.98 0.00 0.00 -1.26 -3.96 105.19 104.92 3hux n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hux n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hux n LYS 81 N 0.00 0.00 -0.38 1.61 -0.00 -1.26 -3.93 118.16 114.20 3hux n LYS 81 Ca 0.00 0.46 -0.24 0.00 -0.00 0.00 0.00 58.31 58.54 3hux n LYS 81 Cb 0.00 -0.52 0.22 0.00 -0.00 0.00 0.00 35.03 34.73 3hux n LYS 81 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3hux n PRO 82 N 0.21 -3.74 -4.76 -1.58 -0.02 -1.26 -4.55 135.00 119.30 3hux n PRO 82 Ca 0.00 -1.21 -0.26 0.00 -2.02 0.00 0.00 63.50 60.01 3hux n PRO 82 Cb 0.00 -1.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 3hux n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hux s THR 83 N -2.08 1.63 0.53 3.45 -4.23 -1.26 -4.61 115.64 109.06 3hux s THR 83 Ca 0.53 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 3hux s THR 83 Cb -0.08 -1.39 0.05 0.00 1.34 0.00 0.00 72.50 72.42 3hux s THR 83 CO 0.43 0.29 0.42 0.54 -0.54 0.00 0.00 174.62 175.76 3hux n ARG 84 N 2.12 0.70 -4.64 3.99 1.74 -1.08 -4.97 116.66 114.51 3hux n ARG 84 Ca -0.16 -3.28 -0.23 0.00 -0.77 0.00 0.00 57.85 53.40 3hux n ARG 84 Cb 0.53 0.31 -0.16 0.00 -1.02 0.00 0.00 32.46 32.13 3hux n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hux s VAL 85 N -2.61 1.14 0.34 1.55 1.01 -1.26 -2.59 120.40 117.98 3hux s VAL 85 Ca 0.32 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3hux s VAL 85 Cb -0.03 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3hux s VAL 85 CO 0.20 0.33 -0.02 -0.60 0.00 0.00 0.00 175.10 175.01 3hux s ARG 86 N 0.01 1.99 0.00 2.72 3.52 -1.21 -4.91 118.95 121.07 3hux s ARG 86 Ca -0.01 -1.83 0.00 0.00 -0.13 0.00 0.00 55.73 53.76 3hux s ARG 86 Cb -0.09 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 3hux s ARG 86 CO 0.01 0.13 0.35 0.36 -0.81 0.00 0.00 175.30 175.34 3hux n LYS 87 N -0.90 0.00 0.00 5.12 2.85 -1.26 -4.34 118.16 119.62 3hux n LYS 87 Ca -0.04 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3hux n LYS 87 Cb 0.63 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 3hux n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hux n LYS 88 N -0.37 0.00 -1.69 -1.58 4.01 -1.26 -4.04 118.16 113.23 3hux n LYS 88 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 3hux n LYS 88 Cb 0.00 -0.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.98 3hux n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3hux n PHE 89 N -2.00 -0.22 0.00 2.13 3.01 -1.26 -4.56 117.46 114.56 3hux n PHE 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hux n PHE 89 Cb 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.06 3hux n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3hux n LEU 90 N -1.51 0.00 0.00 4.37 -0.00 -1.26 -5.14 117.00 113.46 3hux n LEU 90 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 3hux n LEU 90 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 3hux n LEU 90 CO 0.18 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.95 3hux n GLU 91 N 0.00 2.48 0.00 1.47 -0.58 -1.26 -5.08 120.64 117.67 3hux n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hux n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3hux n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hux n ASN 92 N 0.00 0.00 -0.59 1.62 5.15 -1.26 -4.73 115.26 115.45 3hux n ASN 92 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3hux n ASN 92 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3hux n ASN 92 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hux n GLY 93 N 0.00 1.42 2.66 8.20 0.00 -1.26 -4.91 105.19 111.30 3hux n GLY 93 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3hux n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hux s LYS 94 N 2.48 0.59 0.00 1.61 -2.85 -1.26 -3.29 119.74 117.02 3hux s LYS 94 Ca 0.00 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3hux s LYS 94 Cb 0.00 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 3hux s LYS 94 CO 0.00 -1.02 0.00 1.63 0.10 0.00 0.00 175.35 176.06 3hux n LYS 95 N 4.84 -0.25 0.00 1.78 4.01 -1.07 -2.68 118.16 124.79 3hux n LYS 95 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3hux n LYS 95 Cb 0.41 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 3hux n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3hux n ILE 96 N -1.74 0.00 0.50 -0.18 2.08 -1.24 -2.64 119.36 116.14 3hux n ILE 96 Ca 0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 3hux n ILE 96 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.00 3hux n ILE 96 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3hux h ARG 97 N 0.00 0.00 0.00 0.38 3.08 -1.91 -3.44 114.38 112.49 3hux h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hux h ARG 97 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hux h ARG 97 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 179.97 180.45 3hux n VAL 98 N -2.16 0.00 0.00 2.04 3.14 -1.26 -5.16 118.33 114.92 3hux n VAL 98 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3hux n VAL 98 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3hux n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hux s ALA 100 N -0.90 -3.87 0.00 0.00 0.00 -1.26 -3.62 121.76 112.11 3hux s ALA 100 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3hux s ALA 100 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3hux s ALA 100 CO 0.00 -2.03 0.00 1.17 0.00 0.00 0.00 175.76 174.90 3hux n LYS 101 N 5.16 0.00 0.00 0.00 4.81 -1.09 -4.94 118.16 122.09 3hux n LYS 101 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3hux n LYS 101 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 3hux n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57