#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s LYS 2 N 0.00 4.50 0.00 2.12 -0.14 -1.26 -4.95 119.74 120.01 3hux s LYS 2 Ca 0.00 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 3hux s LYS 2 Cb 0.00 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 32.81 3hux s LYS 2 CO 0.00 0.35 0.00 0.25 -0.76 0.00 0.00 175.35 175.19 3hux n THR 3 N 2.53 0.00 0.02 2.17 -2.24 -1.26 -5.10 114.28 110.40 3hux n THR 3 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 3hux n THR 3 Cb 0.50 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 3hux n THR 3 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3hux h TYR 4 N 0.00 0.30 -4.93 4.78 5.03 -1.96 -3.50 116.97 116.69 3hux h TYR 4 Ca 0.00 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.09 3hux h TYR 4 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3hux h TYR 4 CO 0.00 1.38 0.00 1.55 -1.32 0.00 0.00 178.16 179.77 3hux n VAL 5 N -3.32 -0.46 -2.27 1.81 3.14 -1.26 -4.86 118.33 111.10 3hux n VAL 5 Ca -0.21 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.81 3hux n VAL 5 Cb 1.05 -1.94 -0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3hux n VAL 5 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3hux s PRO 6 N 0.00 3.51 0.23 1.45 0.04 -1.26 -5.02 135.00 133.95 3hux s PRO 6 Ca 0.00 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 3hux s PRO 6 Cb 0.00 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3hux s PRO 6 CO 0.00 -0.73 0.88 0.15 0.04 0.00 0.00 177.00 177.34 3hux s LYS 7 N -3.08 4.72 -0.40 4.56 1.02 -1.26 -4.79 119.74 120.51 3hux s LYS 7 Ca 0.69 1.35 -0.09 0.00 0.02 0.00 0.00 55.97 57.95 3hux s LYS 7 Cb -0.25 -3.20 -0.11 0.00 -0.52 0.00 0.00 37.83 33.74 3hux s LYS 7 CO 0.29 0.50 0.99 1.04 -0.92 0.00 0.00 175.35 177.26 3hux n GLN 8 N 1.38 0.00 -3.28 1.68 6.02 -1.26 -4.84 117.38 117.08 3hux n GLN 8 Ca -0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.66 3hux n GLN 8 Cb 0.48 -0.52 -0.04 0.00 1.02 0.00 0.00 30.24 31.18 3hux n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hux s VAL 9 N 2.05 4.94 -0.13 5.09 1.01 -1.26 -5.02 120.40 127.07 3hux s VAL 9 Ca 0.54 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3hux s VAL 9 Cb -0.44 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3hux s VAL 9 CO 0.21 -0.25 1.67 -1.61 0.00 0.00 0.00 175.10 175.11 3hux s GLU 10 N -3.30 3.96 0.35 2.72 8.01 -1.26 -4.96 118.70 124.21 3hux s GLU 10 Ca 0.47 1.96 -0.28 0.00 0.01 0.00 0.00 54.97 57.12 3hux s GLU 10 Cb -0.11 -4.03 -0.11 0.00 -4.31 0.00 0.00 34.13 25.58 3hux s GLU 10 CO 0.26 -1.10 1.40 -1.25 0.01 0.00 0.00 175.26 174.58 3hux s PRO 11 N 4.42 4.24 0.42 0.39 0.04 -1.26 -5.02 135.00 138.23 3hux s PRO 11 Ca 0.74 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 64.04 3hux s PRO 11 Cb -0.30 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 3hux s PRO 11 CO 0.30 -0.35 0.81 0.50 0.04 0.00 0.00 177.00 178.29 3hux s ARG 12 N -1.85 3.84 -0.02 4.56 3.52 -1.26 -4.91 118.95 122.83 3hux s ARG 12 Ca 0.51 0.59 0.03 0.00 -0.13 0.00 0.00 55.73 56.73 3hux s ARG 12 Cb -0.43 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 3hux s ARG 12 CO 0.57 -0.06 -0.09 -1.58 -0.81 0.00 0.00 175.30 173.33 3hux s TRP 13 N -2.37 2.84 0.01 5.12 0.52 -1.26 -0.57 118.94 123.23 3hux s TRP 13 Ca 0.53 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.59 3hux s TRP 13 Cb -0.10 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3hux s TRP 13 CO 0.29 0.32 -0.03 0.08 0.02 0.00 0.00 176.95 177.64 3hux s VAL 14 N -0.91 0.14 -0.32 4.03 1.01 0.54 -3.20 120.40 121.70 3hux s VAL 14 Ca 0.15 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3hux s VAL 14 Cb -0.11 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.16 3hux s VAL 14 CO 0.05 -0.25 0.08 -0.22 0.00 0.00 0.00 175.10 174.76 3hux s LEU 15 N -0.81 3.14 -0.08 3.92 2.96 -0.13 0.18 118.68 127.85 3hux s LEU 15 Ca -0.08 -1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 51.97 3hux s LEU 15 Cb -0.06 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3hux s LEU 15 CO -0.00 -0.40 0.15 -0.51 -1.32 0.00 0.00 176.35 174.26 3hux s ILE 16 N 1.36 5.43 0.06 6.68 2.07 -0.88 -2.35 121.20 133.57 3hux s ILE 16 Ca 0.10 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 3hux s ILE 16 Cb -0.18 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 3hux s ILE 16 CO -0.19 0.53 0.02 -0.62 -1.91 0.00 0.00 174.94 172.77 3hux s ASP 17 N -1.31 5.16 -0.08 4.50 3.68 -1.26 -1.94 116.67 125.42 3hux s ASP 17 Ca 0.19 -0.09 0.11 0.00 2.13 0.00 0.00 52.55 54.89 3hux s ASP 17 Cb -0.12 -1.30 0.28 0.00 -1.45 0.00 0.00 42.92 40.33 3hux s ASP 17 CO 0.08 0.21 1.21 0.00 0.13 0.00 0.00 175.17 176.80 3hux n ALA 18 N 0.81 2.36 -0.03 3.66 0.00 -1.14 -4.65 120.51 121.51 3hux n ALA 18 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.57 3hux n ALA 18 Cb 0.52 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.60 3hux n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hux n GLU 19 N -0.47 -0.02 -1.82 0.00 4.07 -1.25 -1.84 120.64 119.31 3hux n GLU 19 Ca 0.12 0.13 -0.01 0.00 -0.06 0.00 0.00 57.16 57.34 3hux n GLU 19 Cb 0.55 -0.19 0.02 0.00 -0.06 0.00 0.00 31.44 31.76 3hux n GLU 19 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hux n GLY 20 N -1.04 1.18 3.82 8.31 0.00 -1.24 -4.43 105.19 111.80 3hux n GLY 20 Ca 0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3hux n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hux s LYS 21 N -0.77 3.92 0.20 1.61 2.20 -0.76 -4.59 119.74 121.55 3hux s LYS 21 Ca 0.20 0.28 -0.32 0.00 -0.36 0.00 0.00 55.97 55.76 3hux s LYS 21 Cb 0.28 -3.26 -0.12 0.00 -1.51 0.00 0.00 37.83 33.22 3hux s LYS 21 CO -0.09 0.60 1.71 2.41 -0.36 0.00 0.00 175.35 179.62 3hux n THR 22 N 2.24 0.02 -2.61 3.43 -1.04 -1.26 -3.21 114.28 111.84 3hux n THR 22 Ca -0.14 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 3hux n THR 22 Cb 0.53 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 3hux n THR 22 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3hux s LEU 23 N 1.11 4.42 0.00 -4.42 2.34 -1.06 -2.05 118.68 119.02 3hux s LEU 23 Ca 0.75 2.05 0.00 0.00 0.06 0.00 0.00 54.13 56.99 3hux s LEU 23 Cb -0.52 -3.86 0.00 0.00 -0.56 0.00 0.00 46.19 41.25 3hux s LEU 23 CO 0.33 -0.16 0.00 0.61 -1.06 0.00 0.00 176.35 176.07 3hux n GLY 24 N 0.89 2.62 0.09 -3.48 0.00 -1.26 -4.55 105.19 99.50 3hux n GLY 24 Ca 0.01 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3hux n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux n ARG 25 N 0.00 0.15 -0.10 1.61 1.74 -1.21 0.28 116.66 119.13 3hux n ARG 25 Ca 0.00 0.31 -0.13 0.00 -0.77 0.00 0.00 57.85 57.26 3hux n ARG 25 Cb 0.00 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 29.57 3hux n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hux n LEU 26 N -2.03 2.00 0.23 0.55 7.94 -0.87 -4.30 117.00 120.52 3hux n LEU 26 Ca 0.03 -0.08 -0.15 0.00 -1.11 0.00 0.00 56.01 54.70 3hux n LEU 26 Cb 0.27 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.75 3hux n LEU 26 CO 0.21 0.73 0.72 0.00 -1.11 0.00 0.00 177.39 177.94 3hux h ALA 27 N 0.29 -0.53 -1.46 1.96 0.00 -1.67 -1.68 119.26 116.17 3hux h ALA 27 Ca -0.49 -0.13 0.42 0.00 0.00 0.00 0.00 54.91 54.71 3hux h ALA 27 Cb 1.88 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 3hux h ALA 27 CO -0.04 -0.78 1.16 0.00 0.00 0.00 0.00 179.25 179.59 3hux h THR 28 N -0.57 0.14 0.09 0.00 1.03 -0.39 1.06 112.91 114.27 3hux h THR 28 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.02 3hux h THR 28 Cb 0.43 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.65 3hux h THR 28 CO 0.09 0.00 -1.76 0.11 -0.01 0.00 0.00 175.52 173.95 3hux h LYS 29 N 0.00 0.19 -0.64 0.00 1.79 -1.61 -3.07 116.57 113.23 3hux h LYS 29 Ca 0.70 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.80 3hux h LYS 29 Cb 3.01 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 33.75 3hux h LYS 29 CO -0.01 0.98 0.24 0.82 -1.08 0.00 0.00 179.45 180.40 3hux h ILE 30 N 0.05 1.24 -0.27 1.86 2.04 0.20 -2.29 117.51 120.33 3hux h ILE 30 Ca -0.32 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 3hux h ILE 30 Cb 2.02 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3hux h ILE 30 CO 0.11 0.30 -0.18 0.00 0.00 0.00 0.00 178.15 178.38 3hux h ALA 31 N 1.10 0.39 -0.13 1.87 0.00 -1.11 -1.44 119.26 119.94 3hux h ALA 31 Ca 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hux h ALA 31 Cb 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3hux h ALA 31 CO -0.01 0.31 -0.32 1.15 0.00 0.00 0.00 179.25 180.38 3hux h THR 32 N 0.33 0.29 -0.80 0.00 2.02 -1.42 0.17 112.91 113.50 3hux h THR 32 Ca 0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 3hux h THR 32 Cb 0.72 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3hux h THR 32 CO 0.05 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.39 3hux h LEU 33 N -0.40 0.67 0.48 2.58 4.07 -1.39 -2.78 115.31 118.55 3hux h LEU 33 Ca 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 3hux h LEU 33 Cb 0.55 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3hux h LEU 33 CO -0.35 0.40 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.01 3hux h LEU 34 N 0.75 -0.85-10.47 1.67 4.07 0.41 -2.56 115.31 108.33 3hux h LEU 34 Ca 0.37 0.06 -0.48 0.00 0.08 0.00 0.00 57.88 57.90 3hux h LEU 34 Cb 0.43 0.26 0.10 0.00 1.08 0.00 0.00 40.66 42.54 3hux h LEU 34 CO -0.14 -0.51 0.36 -0.13 -1.08 0.00 0.00 178.44 176.94 3hux s ARG 35 N -6.03 2.12 -1.20 1.13 0.52 -0.43 -3.33 118.95 111.74 3hux s ARG 35 Ca -0.17 0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 55.32 3hux s ARG 35 Cb 0.05 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 33.66 3hux s ARG 35 CO 0.63 -1.56 1.60 0.20 0.02 0.00 0.00 175.30 176.19 3hux s GLY 36 N -4.13 1.63 0.00 -3.53 0.00 -1.26 -4.43 107.32 95.60 3hux s GLY 36 Ca 0.61 -2.78 0.02 0.00 0.00 0.00 0.00 44.72 42.57 3hux s GLY 36 CO 0.53 2.61 0.54 1.17 0.00 0.00 0.00 173.10 177.95 3hux n LYS 37 N 8.15 -0.54 -0.01 2.90 3.00 -1.23 -4.28 118.16 126.15 3hux n LYS 37 Ca 0.42 -0.59 0.02 0.00 -0.00 0.00 0.00 58.31 58.17 3hux n LYS 37 Cb 0.47 -1.02 0.02 0.00 0.00 0.00 0.00 35.03 34.50 3hux n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3hux n HIS 38 N 0.07 0.01 -4.81 5.64 1.44 -1.26 -4.98 115.22 111.33 3hux n HIS 38 Ca 0.01 -0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.37 3hux n HIS 38 Cb 0.04 -0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.02 3hux n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3hux s ARG 39 N -0.44 2.22 0.00 -1.40 1.70 -1.26 -5.03 118.95 114.74 3hux s ARG 39 Ca 0.06 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3hux s ARG 39 Cb 0.04 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.19 3hux s ARG 39 CO 0.06 0.57 0.71 -0.35 -1.08 0.00 0.00 175.30 175.21 3hux n PRO 40 N 1.90 0.87 0.02 3.89 -0.04 -1.26 -2.74 135.00 137.64 3hux n PRO 40 Ca -0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 3hux n PRO 40 Cb 0.52 -1.16 0.11 0.00 -0.04 0.00 0.00 33.50 32.94 3hux n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hux n ASP 41 N -0.30 0.63 -0.21 3.54 9.92 -1.26 -4.98 116.55 123.90 3hux n ASP 41 Ca 0.00 -0.29 -0.03 0.00 -0.53 0.00 0.00 54.79 53.94 3hux n ASP 41 Cb 0.08 0.53 -0.00 0.00 -0.64 0.00 0.00 41.12 41.08 3hux n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3hux n TRP 42 N -1.73 0.07 -3.95 1.24 -0.00 -1.11 -4.52 117.44 107.45 3hux n TRP 42 Ca 0.04 0.05 -0.24 0.00 -0.00 0.00 0.00 57.50 57.35 3hux n TRP 42 Cb 0.38 -0.10 -0.17 0.00 -0.00 0.00 0.00 31.31 31.42 3hux n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3hux s THR 43 N 0.19 0.69 0.10 5.87 2.01 -1.26 -4.93 115.64 118.31 3hux s THR 43 Ca 0.05 -0.11 0.19 0.00 0.31 0.00 0.00 61.69 62.13 3hux s THR 43 Cb -0.07 -0.75 0.14 0.00 0.01 0.00 0.00 72.50 71.83 3hux s THR 43 CO 0.03 0.30 1.69 1.55 -0.69 0.00 0.00 174.62 177.51 3hux h PRO 44 N 7.97 0.00 -0.35 4.92 0.13 -1.95 -3.20 132.00 139.51 3hux h PRO 44 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hux h PRO 44 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hux h PRO 44 CO 0.36 0.38 0.00 0.27 -0.23 0.00 0.00 178.00 178.78 3hux n ASN 45 N -3.45 2.04 -0.01 1.44 6.94 -1.26 -4.36 115.26 116.60 3hux n ASN 45 Ca 0.00 -1.95 -0.01 0.00 -0.02 0.00 0.00 54.58 52.61 3hux n ASN 45 Cb 0.54 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 3hux n ASN 45 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3hux n VAL 46 N 0.60 0.06 -2.18 3.53 3.14 -1.21 -5.11 118.33 117.18 3hux n VAL 46 Ca 0.14 -0.03 -0.01 0.00 -2.96 0.00 0.00 64.34 61.48 3hux n VAL 46 Cb 0.33 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 3hux n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hux n ALA 47 N -2.46 -3.19 -1.14 1.55 0.00 -1.24 -4.93 120.51 109.11 3hux n ALA 47 Ca -0.02 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 3hux n ALA 47 Cb 0.52 -1.00 0.26 0.00 0.00 0.00 0.00 19.45 19.23 3hux n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hux n MET 48 N 0.15 2.92 -0.31 0.00 0.00 -1.26 -4.94 117.12 113.68 3hux n MET 48 Ca 0.02 -3.03 -0.18 0.00 0.00 0.00 0.00 57.70 54.51 3hux n MET 48 Cb 0.08 -1.98 0.18 0.00 0.00 0.00 0.00 33.22 31.49 3hux n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hux n GLY 49 N -0.56 -2.83 3.76 3.03 0.00 -1.21 -4.59 105.19 102.79 3hux n GLY 49 Ca 0.32 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 3hux n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hux s ASP 50 N -2.37 4.95 -0.41 1.61 1.11 -0.96 -4.45 116.67 116.15 3hux s ASP 50 Ca 0.40 -0.58 -0.19 0.00 0.18 0.00 0.00 52.55 52.36 3hux s ASP 50 Cb -0.07 -0.94 0.02 0.00 1.07 0.00 0.00 42.92 43.00 3hux s ASP 50 CO 0.34 -0.20 0.54 -0.36 1.18 0.00 0.00 175.17 176.67 3hux s PHE 51 N -2.32 3.13 -0.18 4.23 0.40 0.27 -4.63 117.98 118.87 3hux s PHE 51 Ca 0.36 -0.09 -0.14 0.00 -0.60 0.00 0.00 56.93 56.47 3hux s PHE 51 Cb -0.05 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 3hux s PHE 51 CO 0.23 -0.72 0.29 0.08 0.70 0.00 0.00 175.22 175.80 3hux s VAL 52 N 2.49 5.30 -0.48 -0.44 1.01 -1.22 -0.34 120.40 126.71 3hux s VAL 52 Ca 0.18 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 3hux s VAL 52 Cb -0.15 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.73 3hux s VAL 52 CO 0.16 0.37 0.26 -0.69 0.00 0.00 0.00 175.10 175.19 3hux s VAL 53 N 0.64 3.11 0.08 2.92 1.01 0.13 0.55 120.40 128.83 3hux s VAL 53 Ca 0.16 -2.61 -0.27 0.00 0.00 0.00 0.00 61.98 59.25 3hux s VAL 53 Cb -0.13 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3hux s VAL 53 CO 0.04 -0.75 0.84 -0.69 0.00 0.00 0.00 175.10 174.54 3hux s VAL 54 N 0.47 4.62 0.38 2.92 1.01 0.24 -2.08 120.40 127.97 3hux s VAL 54 Ca 0.13 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.95 3hux s VAL 54 Cb -0.22 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 3hux s VAL 54 CO -0.04 0.36 0.04 0.54 0.00 0.00 0.00 175.10 176.00 3hux s VAL 55 N -0.11 1.38 -1.35 2.92 0.11 -0.82 -1.42 120.40 121.12 3hux s VAL 55 Ca 0.41 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.43 3hux s VAL 55 Cb -0.22 -2.74 -0.00 0.00 -1.53 0.00 0.00 36.38 31.90 3hux s VAL 55 CO 0.26 0.00 0.51 -3.20 -3.33 0.00 0.00 175.10 169.34 3hux n ASN 56 N -0.92 -1.09 -2.78 3.54 4.05 -1.19 -2.90 115.26 113.97 3hux n ASN 56 Ca -0.06 -0.98 0.00 0.00 0.45 0.00 0.00 54.58 54.00 3hux n ASN 56 Cb 0.67 -3.27 0.00 0.00 1.23 0.00 0.00 39.78 38.41 3hux n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hux n ALA 57 N -4.35 0.00 0.00 5.20 0.00 0.83 -3.94 120.51 118.25 3hux n ALA 57 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3hux n ALA 57 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3hux n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hux n ASP 58 N 0.00 0.00 -1.78 0.00 5.75 -1.26 -4.39 116.55 114.87 3hux n ASP 58 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 3hux n ASP 58 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3hux n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hux n LYS 59 N 0.00 -1.94 -3.61 0.11 5.02 -1.26 -4.81 118.16 111.67 3hux n LYS 59 Ca 0.00 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.07 3hux n LYS 59 Cb 0.00 -4.44 -0.06 0.00 -0.02 0.00 0.00 35.03 30.50 3hux n LYS 59 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hux s ILE 60 N -1.69 5.20 0.52 -0.18 1.01 -1.26 -3.60 121.20 121.19 3hux s ILE 60 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 3hux s ILE 60 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3hux s ILE 60 CO 0.00 0.57 0.77 -0.13 0.00 0.00 0.00 174.94 176.15 3hux s ARG 61 N -0.88 2.96 -0.32 2.79 0.52 -1.20 -4.95 118.95 117.87 3hux s ARG 61 Ca 0.20 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 55.01 3hux s ARG 61 Cb -0.15 -2.44 0.19 0.00 0.52 0.00 0.00 34.95 33.07 3hux s ARG 61 CO 0.10 -0.48 1.01 0.54 0.02 0.00 0.00 175.30 176.48 3hux s VAL 62 N -2.75 -0.29 0.87 3.52 0.11 -1.26 -2.56 120.40 118.03 3hux s VAL 62 Ca 0.51 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.33 3hux s VAL 62 Cb -0.10 -0.08 -0.17 0.00 -1.53 0.00 0.00 36.38 34.50 3hux s VAL 62 CO 0.41 0.00 -1.30 0.35 -3.33 0.00 0.00 175.10 171.23 3hux n THR 63 N 4.13 0.00 -4.04 5.04 -2.24 -1.26 -4.51 114.28 111.40 3hux n THR 63 Ca 0.07 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3hux n THR 63 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3hux n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hux n GLY 64 N 3.03 0.49 1.57 3.38 0.00 -1.26 -3.60 105.19 108.80 3hux n GLY 64 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 3hux n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hux n LYS 65 N -0.38 1.58 0.25 1.61 4.01 -1.26 -4.50 118.16 119.48 3hux n LYS 65 Ca 0.00 -1.39 0.17 0.00 -0.51 0.00 0.00 58.31 56.58 3hux n LYS 65 Cb 0.00 -1.55 0.87 0.00 -0.51 0.00 0.00 35.03 33.84 3hux n LYS 65 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3hux h LYS 66 N 0.48 0.00 -3.47 1.97 1.57 -1.79 -2.18 116.57 113.15 3hux h LYS 66 Ca 0.30 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.36 3hux h LYS 66 Cb 1.85 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.09 3hux h LYS 66 CO 0.52 0.00 2.87 1.28 -0.57 0.00 0.00 179.45 183.55 3hux n LEU 67 N -2.73 7.35 0.00 2.94 4.77 -1.26 -2.05 117.00 126.02 3hux n LEU 67 Ca -0.01 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 3hux n LEU 67 Cb 0.11 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 3hux n LEU 67 CO 0.18 1.51 0.00 -0.62 -1.33 0.00 0.00 177.39 177.13 3hux n GLU 68 N 4.37 0.00 0.12 3.23 -0.58 -1.21 -4.51 120.64 122.06 3hux n GLU 68 Ca 0.55 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 57.30 3hux n GLU 68 Cb 0.33 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.20 3hux n GLU 68 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3hux h GLN 69 N 0.00 0.00 -6.55 3.49 4.20 -1.46 -3.43 115.11 111.36 3hux h GLN 69 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 3hux h GLN 69 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3hux h GLN 69 CO 0.00 0.59 1.01 0.21 -0.67 0.00 0.00 178.83 179.97 3hux s LYS 70 N -2.91 3.68 -0.07 1.46 2.47 -0.87 -4.95 119.74 118.55 3hux s LYS 70 Ca 0.03 0.88 0.03 0.00 -1.56 0.00 0.00 55.97 55.35 3hux s LYS 70 Cb 0.08 -3.96 -0.02 0.00 -1.46 0.00 0.00 37.83 32.47 3hux s LYS 70 CO 0.76 -1.43 -0.17 0.42 0.16 0.00 0.00 175.35 175.09 3hux s ILE 71 N 4.94 2.77 0.35 5.43 1.01 -1.26 0.15 121.20 134.59 3hux s ILE 71 Ca 0.56 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3hux s ILE 71 Cb -0.12 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 3hux s ILE 71 CO 0.30 0.57 0.54 -0.31 0.00 0.00 0.00 174.94 176.05 3hux s TYR 72 N -0.32 3.48 -0.10 3.97 4.12 0.64 -4.90 117.35 124.24 3hux s TYR 72 Ca 0.02 0.32 -0.03 0.00 0.02 0.00 0.00 57.07 57.40 3hux s TYR 72 Cb -0.13 -1.90 0.04 0.00 -1.52 0.00 0.00 41.96 38.46 3hux s TYR 72 CO 0.02 0.12 0.08 0.99 0.02 0.00 0.00 175.55 176.78 3hux s THR 73 N -2.31 -0.11 -0.54 -0.71 2.01 -1.26 -1.62 115.64 111.10 3hux s THR 73 Ca 0.40 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.56 3hux s THR 73 Cb -0.10 -0.35 0.14 0.00 0.01 0.00 0.00 72.50 72.20 3hux s THR 73 CO 0.36 -0.04 0.31 -0.13 -0.69 0.00 0.00 174.62 174.43 3hux s ARG 74 N 2.16 2.16 -0.32 4.92 0.52 -0.86 -4.95 118.95 122.58 3hux s ARG 74 Ca 0.04 -2.53 -0.29 0.00 -0.52 0.00 0.00 55.73 52.43 3hux s ARG 74 Cb -0.14 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3hux s ARG 74 CO -0.06 -1.12 1.55 -0.47 0.02 0.00 0.00 175.30 175.22 3hux s TYR 75 N -0.10 2.21 -0.67 -0.53 5.04 -1.25 -3.35 117.35 118.70 3hux s TYR 75 Ca 0.16 0.65 -0.16 0.00 -2.44 0.00 0.00 57.07 55.28 3hux s TYR 75 Cb -0.23 -4.11 0.15 0.00 0.35 0.00 0.00 41.96 38.12 3hux s TYR 75 CO -0.02 -2.48 0.68 -1.54 -1.34 0.00 0.00 175.55 170.85 3hux s SER 76 N 4.38 6.39 0.00 4.32 1.04 0.84 -4.95 113.70 125.72 3hux s SER 76 Ca 0.68 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 55.12 3hux s SER 76 Cb -0.20 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3hux s SER 76 CO 0.30 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3hux n GLY 77 N 4.90 0.00 3.74 7.32 0.00 -1.26 -4.51 105.19 115.38 3hux n GLY 77 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3hux n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hux n TYR 78 N 0.00 2.27 -1.63 1.61 4.02 -1.26 -4.88 117.16 117.28 3hux n TYR 78 Ca 0.00 0.43 -0.57 0.00 -0.01 0.00 0.00 57.90 57.74 3hux n TYR 78 Cb 0.00 -2.35 -0.07 0.00 -0.02 0.00 0.00 39.34 36.90 3hux n TYR 78 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3hux n PRO 79 N -1.19 0.77 -0.89 -0.72 -0.02 -1.26 -0.45 135.00 131.24 3hux n PRO 79 Ca 0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3hux n PRO 79 Cb 0.45 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3hux n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hux n GLY 80 N 3.05 0.72 2.52 -1.23 0.00 -1.26 -4.88 105.19 104.11 3hux n GLY 80 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 3hux n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 81 N -2.00 3.37 2.98 -0.02 0.00 0.41 -4.70 105.19 105.23 3hux n GLY 81 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 3hux n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hux s LEU 82 N 0.11 4.51 0.16 0.99 2.96 -1.26 -0.11 118.68 126.04 3hux s LEU 82 Ca 0.47 -2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.33 3hux s LEU 82 Cb 0.13 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 45.09 3hux s LEU 82 CO -0.04 -0.29 0.98 -0.54 -1.32 0.00 0.00 176.35 175.14 3hux s LYS 83 N 0.07 4.73 -0.38 1.98 -0.14 -1.21 -4.91 119.74 119.88 3hux s LYS 83 Ca 0.15 1.50 0.03 0.00 -1.36 0.00 0.00 55.97 56.29 3hux s LYS 83 Cb -0.24 -3.33 0.11 0.00 -1.68 0.00 0.00 37.83 32.69 3hux s LYS 83 CO -0.02 0.28 0.12 0.15 -0.76 0.00 0.00 175.35 175.12 3hux s LYS 84 N -0.41 1.40 -0.10 1.68 1.02 -1.26 -2.03 119.74 120.04 3hux s LYS 84 Ca 0.46 -1.88 -0.07 0.00 0.02 0.00 0.00 55.97 54.50 3hux s LYS 84 Cb -0.25 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3hux s LYS 84 CO 0.31 -1.01 0.15 0.42 -0.92 0.00 0.00 175.35 174.31 3hux s ILE 85 N 0.74 5.49 0.29 2.17 1.01 -0.64 -4.87 121.20 125.39 3hux s ILE 85 Ca 0.13 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 3hux s ILE 85 Cb -0.21 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 3hux s ILE 85 CO -0.09 0.58 0.60 -2.16 0.00 0.00 0.00 174.94 173.87 3hux s PRO 86 N -1.14 3.73 0.19 2.79 0.04 -1.26 0.23 135.00 139.58 3hux s PRO 86 Ca 0.17 0.20 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 3hux s PRO 86 Cb -0.12 -2.59 0.16 0.00 0.04 0.00 0.00 34.50 31.98 3hux s PRO 86 CO 0.06 0.20 1.61 1.25 0.04 0.00 0.00 177.00 180.16 3hux h LEU 87 N 1.90 -0.83 -0.87 -3.56 6.46 0.12 -1.10 115.31 117.43 3hux h LEU 87 Ca -0.47 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.56 3hux h LEU 87 Cb 1.18 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 41.46 3hux h LEU 87 CO 0.67 -0.26 -0.51 -0.62 -0.62 0.00 0.00 178.44 177.10 3hux n GLU 88 N -5.42 -0.38 -0.15 1.25 1.02 -1.26 -0.84 120.64 114.86 3hux n GLU 88 Ca 0.05 1.37 -0.04 0.00 -0.02 0.00 0.00 57.16 58.53 3hux n GLU 88 Cb 0.33 -2.02 0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3hux n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hux h LYS 89 N 0.00 -0.01 -0.50 3.49 1.79 -1.61 -1.08 116.57 118.65 3hux h LYS 89 Ca 0.14 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 3hux h LYS 89 Cb 0.36 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 3hux h LYS 89 CO -0.81 -0.01 0.34 0.52 -1.08 0.00 0.00 179.45 178.41 3hux h MET 90 N -0.01 0.30 -0.19 3.15 2.86 -0.53 -0.55 114.93 119.96 3hux h MET 90 Ca 0.23 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.72 3hux h MET 90 Cb 0.36 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3hux h MET 90 CO -0.49 0.20 -0.43 -0.07 1.06 0.00 0.00 176.91 177.17 3hux h LEU 91 N 0.31 0.49 -3.33 1.22 3.38 -0.51 -2.35 115.31 114.53 3hux h LEU 91 Ca 0.23 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3hux h LEU 91 Cb 0.50 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 3hux h LEU 91 CO -0.05 0.86 0.32 0.00 0.09 0.00 0.00 178.44 179.66 3hux n ALA 92 N -2.49 4.79 0.00 1.53 0.00 -0.22 -4.13 120.51 119.98 3hux n ALA 92 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3hux n ALA 92 Cb 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3hux n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hux n THR 93 N 0.57 0.00 -3.92 0.00 5.66 -1.07 -4.98 114.28 110.54 3hux n THR 93 Ca 0.23 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.96 3hux n THR 93 Cb 0.58 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 3hux n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3hux n HIS 94 N 0.00 -1.67 0.55 1.09 8.25 -1.25 -4.45 115.22 117.74 3hux n HIS 94 Ca 0.00 0.67 0.07 0.00 -0.26 0.00 0.00 57.72 58.20 3hux n HIS 94 Cb 0.00 -3.64 0.33 0.00 1.12 0.00 0.00 29.99 27.80 3hux n HIS 94 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3hux n PRO 95 N -4.40 0.04 0.03 -0.41 -0.04 -0.91 -1.54 135.00 127.77 3hux n PRO 95 Ca -0.27 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3hux n PRO 95 Cb 0.67 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.75 3hux n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hux n GLU 96 N -1.47 0.23 0.00 0.54 0.00 -1.26 -3.41 120.64 115.27 3hux n GLU 96 Ca 0.04 0.03 0.09 0.00 0.00 0.00 0.00 57.16 57.32 3hux n GLU 96 Cb 0.17 -1.61 0.39 0.00 0.00 0.00 0.00 31.44 30.38 3hux n GLU 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3hux n ARG 97 N -1.93 0.02 -0.07 3.44 0.63 -0.59 -1.27 116.66 116.90 3hux n ARG 97 Ca 0.03 0.19 -0.08 0.00 -0.92 0.00 0.00 57.85 57.07 3hux n ARG 97 Cb 0.42 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.77 3hux n ARG 97 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3hux h VAL 98 N 0.00 0.69 -0.22 5.15 2.07 -1.69 -2.28 116.25 119.98 3hux h VAL 98 Ca 0.00 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 3hux h VAL 98 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3hux h VAL 98 CO 0.00 0.23 0.04 0.25 0.02 0.00 0.00 177.57 178.11 3hux h LEU 99 N -1.00 0.34 -2.43 2.57 7.12 -1.72 -2.08 115.31 118.12 3hux h LEU 99 Ca -0.04 -0.26 0.02 0.00 0.13 0.00 0.00 57.88 57.73 3hux h LEU 99 Cb 0.56 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3hux h LEU 99 CO -0.03 0.51 0.17 -0.08 -0.13 0.00 0.00 178.44 178.88 3hux h GLU 100 N 0.16 0.00 0.00 1.25 4.81 -1.33 -2.70 114.58 116.77 3hux h GLU 100 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3hux h GLU 100 Cb 0.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hux h GLU 100 CO 0.00 0.00 -0.20 1.25 -0.73 0.00 0.00 179.01 179.33 3hux h HIS 101 N 0.00 0.00 -1.01 0.92 2.76 -0.77 -3.27 115.15 113.78 3hux h HIS 101 Ca 0.03 0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.43 3hux h HIS 101 Cb 0.37 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.22 3hux h HIS 101 CO 0.00 0.39 0.62 0.00 -1.30 0.00 0.00 177.93 177.64 3hux h ALA 102 N -0.70 1.86 0.43 5.26 0.00 -1.12 -1.72 119.26 123.29 3hux h ALA 102 Ca -0.03 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hux h ALA 102 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hux h ALA 102 CO -0.02 -0.28 -0.21 0.28 0.00 0.00 0.00 179.25 179.02 3hux h VAL 103 N 0.59 0.56 0.00 0.00 2.07 -1.65 -2.56 116.25 115.26 3hux h VAL 103 Ca 0.61 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3hux h VAL 103 Cb 1.18 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hux h VAL 103 CO -0.39 0.05 0.31 0.50 0.02 0.00 0.00 177.57 178.05 3hux h LYS 104 N -0.74 0.00 -0.36 1.57 3.64 -1.37 1.13 116.57 120.45 3hux h LYS 104 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hux h LYS 104 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hux h LYS 104 CO 0.10 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 3hux n GLY 105 N -1.26 1.11 0.74 5.01 0.00 -0.97 -3.72 105.19 106.10 3hux n GLY 105 Ca -0.01 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3hux n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hux n MET 106 N 0.91 0.78 -4.38 1.61 2.81 0.39 -5.04 117.12 114.20 3hux n MET 106 Ca 0.17 -2.38 -0.28 0.00 -1.81 0.00 0.00 57.70 53.41 3hux n MET 106 Cb 0.45 -0.92 -0.13 0.00 -0.71 0.00 0.00 33.22 31.91 3hux n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hux s LEU 107 N -1.65 2.34 0.85 4.03 1.43 -1.19 -4.91 118.68 119.57 3hux s LEU 107 Ca 0.29 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 3hux s LEU 107 Cb 0.29 -1.16 0.08 0.00 0.03 0.00 0.00 46.19 45.43 3hux s LEU 107 CO -0.07 0.15 0.99 -2.65 0.23 0.00 0.00 176.35 175.00 3hux n PRO 108 N 0.83 -0.04 0.00 1.29 -0.02 -1.26 -4.95 135.00 130.85 3hux n PRO 108 Ca -0.17 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3hux n PRO 108 Cb 0.54 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.92 3hux n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hux n LYS 109 N -2.97 0.55 0.00 -0.52 4.01 -1.26 -3.80 118.16 114.17 3hux n LYS 109 Ca 0.12 -0.39 0.00 0.00 -0.51 0.00 0.00 58.31 57.53 3hux n LYS 109 Cb 0.51 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 3hux n LYS 109 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hux n GLY 110 N 1.43 -1.99 0.17 0.72 0.00 -1.26 -4.74 105.19 99.51 3hux n GLY 110 Ca 0.08 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3hux n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hux h PRO 111 N 0.00 0.00 0.06 1.61 0.11 -2.00 -2.68 132.00 129.11 3hux h PRO 111 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 3hux h PRO 111 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hux h PRO 111 CO 0.00 0.00 -1.05 1.25 -0.21 0.00 0.00 178.00 177.99 3hux h LEU 112 N 0.00 0.21 -2.68 2.35 5.85 -1.91 -3.11 115.31 116.02 3hux h LEU 112 Ca 0.00 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3hux h LEU 112 Cb 0.08 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hux h LEU 112 CO 0.00 1.45 0.02 1.23 -0.34 0.00 0.00 178.44 180.79 3hux h GLY 113 N -0.45 0.00 1.75 3.75 0.00 -1.58 0.33 103.07 106.87 3hux h GLY 113 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 3hux h GLY 113 CO -0.02 0.00 -1.04 3.21 0.00 0.00 0.00 176.54 178.69 3hux h ARG 114 N 0.00 0.00 0.18 4.80 3.08 -1.57 -2.86 114.38 118.01 3hux h ARG 114 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3hux h ARG 114 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hux h ARG 114 CO -0.00 0.75 -1.19 0.00 -1.07 0.00 0.00 179.97 178.46 3hux h ARG 115 N 0.00 0.38 -1.01 0.04 3.08 -0.97 -2.87 114.38 113.04 3hux h ARG 115 Ca -0.07 -0.65 0.10 0.00 0.07 0.00 0.00 59.98 59.44 3hux h ARG 115 Cb 1.71 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 31.93 3hux h ARG 115 CO 0.10 1.31 0.64 -0.07 -1.07 0.00 0.00 179.97 180.88 3hux h LEU 116 N -0.16 0.96 -0.52 3.04 3.38 -0.54 0.20 115.31 121.67 3hux h LEU 116 Ca -0.22 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hux h LEU 116 Cb 1.87 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 3hux h LEU 116 CO 0.18 0.55 0.23 0.15 0.09 0.00 0.00 178.44 179.64 3hux h PHE 117 N 1.05 0.76 0.00 1.13 3.57 -1.53 -0.12 116.94 121.80 3hux h PHE 117 Ca 0.48 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3hux h PHE 117 Cb 0.39 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3hux h PHE 117 CO -0.00 0.61 0.00 1.63 -2.23 0.00 0.00 178.31 178.32 3hux n LYS 118 N -4.57 0.11 0.11 1.11 5.02 0.58 -1.38 118.16 119.13 3hux n LYS 118 Ca 0.02 0.59 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 3hux n LYS 118 Cb 0.13 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.29 3hux n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hux h ARG 119 N 0.00 0.00 -5.93 1.97 2.47 0.21 -3.45 114.38 109.64 3hux h ARG 119 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3hux h ARG 119 Cb 0.02 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 3hux h ARG 119 CO 0.00 0.68 -0.00 -1.17 0.56 0.00 0.00 179.97 180.04 3hux s LEU 120 N -6.61 4.31 -0.26 3.04 1.98 -0.48 -3.44 118.68 117.23 3hux s LEU 120 Ca 0.03 1.05 -0.00 0.00 -2.89 0.00 0.00 54.13 52.31 3hux s LEU 120 Cb 0.09 -2.93 0.04 0.00 0.66 0.00 0.00 46.19 44.05 3hux s LEU 120 CO 0.77 -0.05 -0.07 -0.54 -1.89 0.00 0.00 176.35 174.56 3hux s LYS 121 N 0.64 2.59 -0.05 1.98 3.01 0.19 -4.97 119.74 123.13 3hux s LYS 121 Ca 0.33 -1.13 -0.03 0.00 -1.01 0.00 0.00 55.97 54.13 3hux s LYS 121 Cb -0.17 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.65 3hux s LYS 121 CO 0.15 -0.48 0.10 0.08 0.51 0.00 0.00 175.35 175.72 3hux s VAL 122 N 1.24 5.01 0.29 3.17 1.01 -1.26 -0.59 120.40 129.27 3hux s VAL 122 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hux s VAL 122 Cb -0.18 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3hux s VAL 122 CO -0.05 0.47 0.32 -0.31 0.00 0.00 0.00 175.10 175.53 3hux s TYR 123 N -1.12 1.26 -0.06 5.22 1.51 -0.51 -4.95 117.35 118.69 3hux s TYR 123 Ca 0.20 -1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 54.86 3hux s TYR 123 Cb -0.12 -0.40 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 3hux s TYR 123 CO 0.10 -0.90 0.02 0.00 -1.11 0.00 0.00 175.55 173.66 3hux s ALA 124 N -3.58 0.58 0.00 3.71 0.00 -1.26 -0.12 121.76 121.09 3hux s ALA 124 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3hux s ALA 124 Cb 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hux s ALA 124 CO 0.19 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3hux n GLY 125 N 5.16 -2.13 0.00 0.00 0.00 -1.26 -4.78 105.19 102.18 3hux n GLY 125 Ca -0.07 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3hux n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hux n PRO 126 N 0.00 0.00 -2.12 1.61 -0.04 -1.26 -4.90 135.00 128.29 3hux n PRO 126 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3hux n PRO 126 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 3hux n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hux n ASP 127 N 0.00 -3.41 -4.72 3.54 9.92 -1.26 -4.69 116.55 115.93 3hux n ASP 127 Ca 0.00 1.07 -0.35 0.00 -0.53 0.00 0.00 54.79 54.98 3hux n ASP 127 Cb 0.00 -3.93 -0.08 0.00 -0.64 0.00 0.00 41.12 36.47 3hux n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3hux s HIS 128 N -0.44 3.34 0.07 1.24 -3.43 -1.26 -4.89 115.29 109.93 3hux s HIS 128 Ca -0.12 0.25 -0.35 0.00 -0.80 0.00 0.00 55.06 54.04 3hux s HIS 128 Cb 0.01 -1.98 -0.17 0.00 -1.43 0.00 0.00 32.58 29.00 3hux s HIS 128 CO 0.33 0.40 1.53 -1.00 -2.00 0.00 0.00 174.74 174.00 3hux h PRO 129 N 5.87 -1.02 -6.00 -0.38 0.13 -2.02 -3.42 132.00 125.15 3hux h PRO 129 Ca -0.45 0.07 -0.71 0.00 -0.87 0.00 0.00 66.00 64.04 3hux h PRO 129 Cb 1.19 0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 3hux h PRO 129 CO 0.64 -0.68 1.35 0.72 -0.23 0.00 0.00 178.00 179.80 3hux n HIS 130 N -5.42 1.49 -1.13 1.56 8.25 -1.26 -4.80 115.22 113.92 3hux n HIS 130 Ca -0.13 0.45 -0.03 0.00 -0.26 0.00 0.00 57.72 57.75 3hux n HIS 130 Cb 0.46 -2.45 0.27 0.00 1.12 0.00 0.00 29.99 29.39 3hux n HIS 130 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3hux n GLN 131 N 7.80 3.05 -1.46 -0.41 3.00 -1.26 -4.67 117.38 123.43 3hux n GLN 131 Ca 0.45 -3.05 -0.40 0.00 -0.01 0.00 0.00 57.00 53.99 3hux n GLN 131 Cb 0.14 -2.03 -0.02 0.00 0.00 0.00 0.00 30.24 28.33 3hux n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hux n ALA 132 N -0.51 6.62 -1.05 -1.58 0.00 -1.26 -4.87 120.51 117.86 3hux n ALA 132 Ca 0.35 -3.63 0.12 0.00 0.00 0.00 0.00 53.44 50.28 3hux n ALA 132 Cb 1.20 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 3hux n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hux n GLN 133 N 4.67 -1.90 0.00 0.00 7.27 -1.26 -4.93 117.38 121.22 3hux n GLN 133 Ca 0.67 1.40 0.00 0.00 0.07 0.00 0.00 57.00 59.13 3hux n GLN 133 Cb 0.29 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.50 3hux n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3hux n ARG 134 N -3.31 0.00 -0.84 3.69 0.00 -1.26 -4.91 116.66 110.03 3hux n ARG 134 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.55 3hux n ARG 134 Cb 0.61 0.00 0.06 0.00 -0.00 0.00 0.00 32.46 33.13 3hux n ARG 134 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3hux n PRO 135 N 0.00 -0.52 -4.17 2.89 -0.02 -1.19 -4.33 135.00 127.66 3hux n PRO 135 Ca 0.00 -0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.02 3hux n PRO 135 Cb 0.00 -1.17 -0.16 0.00 -0.02 0.00 0.00 33.50 32.15 3hux n PRO 135 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hux s GLU 136 N -2.40 2.47 0.41 -0.52 -6.30 -1.26 -0.95 118.70 110.15 3hux s GLU 136 Ca 0.32 -0.63 0.07 0.00 -2.50 0.00 0.00 54.97 52.23 3hux s GLU 136 Cb 0.03 -2.18 -0.05 0.00 0.00 0.00 0.00 34.13 31.93 3hux s GLU 136 CO 0.49 -0.18 0.20 0.15 0.02 0.00 0.00 175.26 175.93 3hux s LYS 137 N 1.31 2.26 -0.22 4.30 1.02 -0.99 -4.94 119.74 122.47 3hux s LYS 137 Ca 0.02 -1.81 -0.03 0.00 0.02 0.00 0.00 55.97 54.18 3hux s LYS 137 Cb -0.13 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3hux s LYS 137 CO -0.09 -0.11 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.65 3hux s LEU 138 N -3.92 2.88 0.00 3.17 1.43 -1.26 -4.31 118.68 116.67 3hux s LEU 138 Ca 0.42 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3hux s LEU 138 Cb 0.03 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3hux s LEU 138 CO 0.23 -0.05 0.00 1.21 0.23 0.00 0.00 176.35 177.97