#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s VAL 4 N 0.00 1.33 0.20 3.15 0.11 -1.26 -4.08 120.40 119.85 3hux s VAL 4 Ca 0.00 -0.76 -0.32 0.00 -2.93 0.00 0.00 61.98 57.97 3hux s VAL 4 Cb 0.00 -1.12 -0.11 0.00 -1.53 0.00 0.00 36.38 33.62 3hux s VAL 4 CO 0.00 0.34 1.67 0.00 -3.33 0.00 0.00 175.10 173.78 3hux h GLU 6 N 6.76 0.00 0.00 0.00 5.08 -1.24 0.17 114.58 125.36 3hux h GLU 6 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hux h GLU 6 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hux h GLU 6 CO 0.94 0.23 -0.58 -0.89 -1.00 0.00 0.00 179.01 177.71 3hux n ILE 7 N -3.59 1.21 0.07 3.13 -0.00 -1.26 -4.63 119.36 114.29 3hux n ILE 7 Ca -0.01 0.24 -0.08 0.00 -0.00 0.00 0.00 62.75 62.90 3hux n ILE 7 Cb 0.37 -2.24 -0.09 0.00 -0.00 0.00 0.00 39.64 37.68 3hux n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3hux h SER 8 N -0.84 0.09 -0.36 4.38 4.64 -1.97 -3.48 113.55 116.01 3hux h SER 8 Ca 0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3hux h SER 8 Cb 0.58 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3hux h SER 8 CO 0.00 1.03 -0.07 0.61 -0.87 0.00 0.00 176.83 177.54 3hux n GLY 9 N 1.26 0.28 3.70 -0.77 0.00 0.59 -4.98 105.19 105.27 3hux n GLY 9 Ca -0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3hux n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 10 N -4.03 4.27 0.23 1.61 1.02 -1.26 -4.64 119.74 116.95 3hux s LYS 10 Ca 0.00 2.12 0.06 0.00 0.02 0.00 0.00 55.97 58.17 3hux s LYS 10 Cb 0.00 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3hux s LYS 10 CO 0.00 -0.57 0.22 1.03 -0.92 0.00 0.00 175.35 175.11 3hux s ARG 11 N 1.93 3.05 -0.25 1.68 1.81 -1.26 -2.20 118.95 123.71 3hux s ARG 11 Ca 0.67 -0.94 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 3hux s ARG 11 Cb -0.36 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 3hux s ARG 11 CO 0.29 0.43 1.16 -1.25 -0.68 0.00 0.00 175.30 175.25 3hux s PRO 12 N -3.70 4.14 0.45 3.54 0.04 -1.26 -4.79 135.00 133.42 3hux s PRO 12 Ca 0.33 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 3hux s PRO 12 Cb -0.09 -3.74 -0.01 0.00 0.04 0.00 0.00 34.50 30.70 3hux s PRO 12 CO 0.26 -0.82 0.69 0.96 0.04 0.00 0.00 177.00 178.13 3hux s ILE 13 N 3.63 4.28 -0.17 0.56 -5.25 -1.04 -4.80 121.20 118.40 3hux s ILE 13 Ca 0.50 -0.35 -0.13 0.00 -0.99 0.00 0.00 60.65 59.68 3hux s ILE 13 Cb -0.16 -3.59 -0.05 0.00 2.95 0.00 0.00 42.46 41.61 3hux s ILE 13 CO 0.14 -0.45 0.24 -0.69 -1.79 0.00 0.00 174.94 172.39 3hux s VAL 14 N -2.58 5.34 0.24 8.37 1.01 -1.26 -1.11 120.40 130.41 3hux s VAL 14 Ca 0.47 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.91 3hux s VAL 14 Cb -0.10 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3hux s VAL 14 CO 0.39 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.98 3hux n ALA 15 N 3.49 0.32 -2.67 5.51 0.00 -1.05 -4.99 120.51 121.13 3hux n ALA 15 Ca -0.13 -1.21 -0.30 0.00 0.00 0.00 0.00 53.44 51.80 3hux n ALA 15 Cb 0.52 0.79 -0.09 0.00 0.00 0.00 0.00 19.45 20.67 3hux n ALA 15 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hux s ASN 16 N -2.46 3.86 -0.59 0.00 0.01 -1.26 -2.79 114.94 111.70 3hux s ASN 16 Ca 0.10 -1.51 0.04 0.00 -0.71 0.00 0.00 52.86 50.79 3hux s ASN 16 Cb 0.01 0.05 0.16 0.00 0.41 0.00 0.00 41.25 41.87 3hux s ASN 16 CO 0.07 -0.65 0.39 -0.55 -1.51 0.00 0.00 177.10 174.85 3hux s SER 17 N -3.76 4.19 0.13 -1.22 0.15 0.17 -4.82 113.70 108.53 3hux s SER 17 Ca 0.22 -3.41 -0.31 0.00 0.70 0.00 0.00 55.95 53.15 3hux s SER 17 Cb 0.06 -1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 62.86 3hux s SER 17 CO 0.11 -0.15 1.31 -0.63 1.20 0.00 0.00 173.24 175.08 3hux s ILE 18 N -0.78 3.46 -0.18 6.45 1.09 -1.26 -3.35 121.20 126.62 3hux s ILE 18 Ca 0.23 1.09 -0.00 0.00 -1.10 0.00 0.00 60.65 60.87 3hux s ILE 18 Cb -0.11 -3.70 0.01 0.00 -1.06 0.00 0.00 42.46 37.60 3hux s ILE 18 CO -0.11 0.11 -0.15 -1.10 -0.10 0.00 0.00 174.94 173.59 3hux s GLN 19 N 0.69 3.13 0.51 2.79 -1.52 0.25 -5.01 119.66 120.50 3hux s GLN 19 Ca 0.60 -0.76 0.05 0.00 -1.95 0.00 0.00 55.36 53.30 3hux s GLN 19 Cb -0.35 -2.69 0.01 0.00 -0.22 0.00 0.00 33.01 29.76 3hux s GLN 19 CO 0.32 -0.16 0.29 1.03 -0.25 0.00 0.00 175.29 176.53 3hux s ARG 20 N 1.23 2.26 -0.28 2.91 0.52 -1.26 -0.63 118.95 123.70 3hux s ARG 20 Ca 0.03 -2.02 -0.19 0.00 -0.52 0.00 0.00 55.73 53.03 3hux s ARG 20 Cb -0.14 -2.00 0.09 0.00 0.52 0.00 0.00 34.95 33.42 3hux s ARG 20 CO -0.08 -0.45 0.76 1.03 0.02 0.00 0.00 175.30 176.58 3hux s ARG 21 N -4.13 0.69 0.00 3.54 0.52 0.01 -4.73 118.95 114.85 3hux s ARG 21 Ca 0.31 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 3hux s ARG 21 Cb -0.01 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.68 3hux s ARG 21 CO 0.19 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.80 3hux n GLY 22 N 3.61 3.49 3.43 -3.53 0.00 -1.26 0.11 105.19 111.04 3hux n GLY 22 Ca -0.18 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 3hux n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hux s LYS 23 N -2.23 2.98 -0.15 1.61 2.20 -1.22 -4.90 119.74 118.02 3hux s LYS 23 Ca 0.00 -1.14 -0.24 0.00 -0.36 0.00 0.00 55.97 54.24 3hux s LYS 23 Cb 0.00 -4.04 -0.11 0.00 -1.51 0.00 0.00 37.83 32.17 3hux s LYS 23 CO 0.00 -0.88 0.74 0.00 -0.36 0.00 0.00 175.35 174.85 3hux n ALA 24 N 5.23 -1.35 -0.34 3.13 0.00 -1.26 -3.74 120.51 122.17 3hux n ALA 24 Ca -0.11 0.29 0.29 0.00 0.00 0.00 0.00 53.44 53.91 3hux n ALA 24 Cb 0.46 -0.99 0.54 0.00 0.00 0.00 0.00 19.45 19.46 3hux n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hux h LYS 25 N 2.23 0.15 -0.43 0.00 1.63 -1.80 0.44 116.57 118.79 3hux h LYS 25 Ca -0.25 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.59 3hux h LYS 25 Cb 0.75 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 3hux h LYS 25 CO 0.45 0.10 0.14 -0.09 -3.45 0.00 0.00 179.45 176.60 3hux h ARG 26 N 0.15 0.29 0.00 1.90 2.43 -1.87 -3.36 114.38 113.92 3hux h ARG 26 Ca 0.80 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 3hux h ARG 26 Cb 2.02 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 3hux h ARG 26 CO -0.66 0.19 0.00 0.39 -1.51 0.00 0.00 179.97 178.38 3hux n GLU 27 N -5.03 0.00 0.00 0.20 1.02 0.15 -4.92 120.64 112.07 3hux n GLU 27 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3hux n GLU 27 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 3hux n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hux n GLY 28 N 5.00 -2.34 0.00 0.62 0.00 -1.21 -5.00 105.19 102.26 3hux n GLY 28 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3hux n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 29 N -0.47 1.07 5.00 -0.02 0.00 -1.25 -4.97 105.19 104.56 3hux n GLY 29 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hux n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hux n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -3.69 118.33 115.23 3hux n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hux n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3hux n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hux n GLY 31 N 0.00 0.91 3.32 7.63 0.00 -1.25 -4.89 105.19 110.91 3hux n GLY 31 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 3hux n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 32 N -1.67 2.10 -0.16 1.61 1.02 -1.26 -3.42 119.74 117.95 3hux s LYS 32 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 3hux s LYS 32 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 3hux s LYS 32 CO 0.00 0.56 -0.09 0.15 -0.92 0.00 0.00 175.35 175.05 3hux s LYS 33 N -0.67 3.41 -0.72 1.68 -0.14 0.31 -4.92 119.74 118.68 3hux s LYS 33 Ca 0.10 -0.65 -0.27 0.00 -1.36 0.00 0.00 55.97 53.80 3hux s LYS 33 Cb -0.10 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 3hux s LYS 33 CO -0.01 0.08 1.38 0.99 -0.76 0.00 0.00 175.35 177.04 3hux s THR 34 N 0.73 3.66 0.36 2.17 2.01 -1.26 -0.81 115.64 122.50 3hux s THR 34 Ca -0.04 0.35 0.12 0.00 0.31 0.00 0.00 61.69 62.43 3hux s THR 34 Cb -0.15 -4.75 0.08 0.00 0.01 0.00 0.00 72.50 67.69 3hux s THR 34 CO 0.02 -1.70 1.80 0.00 -0.69 0.00 0.00 174.62 174.05 3hux h THR 35 N 6.19 1.28 -1.80 -0.82 1.03 -1.16 -3.47 112.91 114.17 3hux h THR 35 Ca -0.27 -1.35 0.15 0.00 -0.01 0.00 0.00 66.41 64.93 3hux h THR 35 Cb 1.07 1.72 -0.19 0.00 -1.07 0.00 0.00 68.15 69.68 3hux h THR 35 CO 1.27 0.39 0.62 -0.83 -0.01 0.00 0.00 175.52 176.96 3hux s GLY 36 N -4.31 -0.34 -0.10 2.99 0.00 -1.09 -5.01 107.32 99.47 3hux s GLY 36 Ca -0.03 1.54 -0.04 0.00 0.00 0.00 0.00 44.72 46.19 3hux s GLY 36 CO 0.73 0.61 0.22 -0.42 0.00 0.00 0.00 173.10 174.24 3hux s ILE 37 N -2.29 -0.18 0.39 0.90 1.01 -1.26 -0.58 121.20 119.18 3hux s ILE 37 Ca 0.05 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3hux s ILE 37 Cb -0.01 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 3hux s ILE 37 CO -0.05 0.10 0.18 -0.94 0.00 0.00 0.00 174.94 174.22 3hux s SER 38 N 1.75 2.50 0.17 3.58 1.04 -1.21 -4.94 113.70 116.59 3hux s SER 38 Ca -0.04 -1.72 0.06 0.00 0.48 0.00 0.00 55.95 54.73 3hux s SER 38 Cb -0.11 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3hux s SER 38 CO -0.08 -0.99 0.05 -0.54 0.98 0.00 0.00 173.24 172.67 3hux s LYS 39 N -3.62 2.60 0.09 4.02 1.02 -1.26 -0.65 119.74 121.94 3hux s LYS 39 Ca 0.28 -1.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.00 3hux s LYS 39 Cb 0.02 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.93 3hux s LYS 39 CO 0.18 0.47 0.63 -0.98 -0.92 0.00 0.00 175.35 174.73 3hux s ARG 40 N -3.00 1.21 0.22 1.68 1.04 -1.12 -4.84 118.95 114.14 3hux s ARG 40 Ca 0.29 -0.25 0.06 0.00 -1.04 0.00 0.00 55.73 54.79 3hux s ARG 40 Cb -0.10 0.56 -0.04 0.00 -2.04 0.00 0.00 34.95 33.34 3hux s ARG 40 CO 0.20 -0.49 0.20 1.03 -0.04 0.00 0.00 175.30 176.21 3hux s ARG 41 N -2.96 3.01 -0.32 3.89 0.52 -1.26 -2.51 118.95 119.32 3hux s ARG 41 Ca -0.03 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 3hux s ARG 41 Cb -0.01 -2.65 0.05 0.00 0.52 0.00 0.00 34.95 32.86 3hux s ARG 41 CO -0.06 0.44 0.04 -0.65 0.02 0.00 0.00 175.30 175.09 3hux s GLN 42 N -3.60 2.46 -0.04 3.54 -0.21 -0.27 -4.93 119.66 116.61 3hux s GLN 42 Ca 0.33 -1.27 -0.17 0.00 0.02 0.00 0.00 55.36 54.27 3hux s GLN 42 Cb -0.09 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 3hux s GLN 42 CO 0.25 -0.66 0.45 0.71 -2.12 0.00 0.00 175.29 173.93 3hux s TYR 43 N 1.29 3.64 0.33 0.91 1.51 -1.26 -2.49 117.35 121.28 3hux s TYR 43 Ca -0.04 0.98 -0.29 0.00 -1.01 0.00 0.00 57.07 56.71 3hux s TYR 43 Cb -0.20 -2.43 -0.11 0.00 -0.11 0.00 0.00 41.96 39.12 3hux s TYR 43 CO -0.00 0.43 1.48 -2.14 -1.11 0.00 0.00 175.55 174.20 3hux s PRO 44 N -0.33 4.17 -1.23 -1.71 0.02 -1.26 -4.84 135.00 129.82 3hux s PRO 44 Ca 0.25 2.48 -0.19 0.00 0.02 0.00 0.00 61.00 63.57 3hux s PRO 44 Cb -0.16 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3hux s PRO 44 CO 0.13 -0.49 1.93 -1.71 -0.33 0.00 0.00 177.00 176.53 3hux n ASN 45 N 1.13 3.90 -4.80 2.53 4.05 -1.26 -4.87 115.26 115.94 3hux n ASN 45 Ca 0.03 -2.81 -0.36 0.00 0.45 0.00 0.00 54.58 51.89 3hux n ASN 45 Cb 0.39 -1.63 -0.07 0.00 1.23 0.00 0.00 39.78 39.70 3hux n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 3hux s LEU 46 N 4.77 4.13 0.00 1.20 2.34 -1.26 0.14 118.68 130.00 3hux s LEU 46 Ca 0.56 0.34 0.00 0.00 0.06 0.00 0.00 54.13 55.09 3hux s LEU 46 Cb 0.07 -2.00 -0.00 0.00 -0.56 0.00 0.00 46.19 43.70 3hux s LEU 46 CO 0.06 0.36 0.02 0.00 -1.06 0.00 0.00 176.35 175.73 3hux n GLN 47 N 2.29 1.32 -3.94 1.48 1.13 -0.88 -4.87 117.38 113.92 3hux n GLN 47 Ca -0.19 -0.95 -0.33 0.00 -1.94 0.00 0.00 57.00 53.59 3hux n GLN 47 Cb 0.54 0.36 -0.05 0.00 0.11 0.00 0.00 30.24 31.20 3hux n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3hux s LYS 48 N -2.45 3.37 -0.24 -1.09 3.01 -1.26 -2.00 119.74 119.07 3hux s LYS 48 Ca 0.02 -0.37 -0.04 0.00 -1.01 0.00 0.00 55.97 54.58 3hux s LYS 48 Cb 0.00 -3.05 0.08 0.00 -1.01 0.00 0.00 37.83 33.86 3hux s LYS 48 CO 0.02 0.66 0.11 0.08 0.51 0.00 0.00 175.35 176.72 3hux s VAL 49 N -1.32 0.07 0.00 3.17 1.01 -0.78 -4.99 120.40 117.56 3hux s VAL 49 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3hux s VAL 49 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3hux s VAL 49 CO 0.19 -0.53 0.00 0.54 0.00 0.00 0.00 175.10 175.30 3hux n ARG 50 N 5.20 0.00 0.00 2.72 1.74 -1.26 -1.44 116.66 123.62 3hux n ARG 50 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3hux n ARG 50 Cb 0.45 -0.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 3hux n ARG 50 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3hux n VAL 51 N 0.00 0.00 0.00 1.55 3.14 -1.26 -3.93 118.33 117.83 3hux n VAL 51 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hux n VAL 51 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3hux n VAL 51 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3hux n ARG 52 N -0.93 0.00 -1.61 1.45 1.85 -1.26 -4.45 116.66 111.71 3hux n ARG 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3hux n ARG 52 Cb 0.00 -0.25 0.00 0.00 -1.05 0.00 0.00 32.46 31.16 3hux n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3hux n VAL 53 N -0.57 -9.18 0.00 8.89 0.31 -1.26 -3.89 118.33 112.63 3hux n VAL 53 Ca 0.00 2.46 0.00 0.00 -0.01 0.00 0.00 64.34 66.79 3hux n VAL 53 Cb 0.00 -4.21 0.00 0.00 -0.91 0.00 0.00 33.84 28.72 3hux n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hux n ALA 54 N 1.13 0.00 0.00 3.52 0.00 -1.26 -2.50 120.51 121.41 3hux n ALA 54 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3hux n ALA 54 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3hux n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hux h GLY 55 N 0.00 0.81 -1.72 0.00 0.00 -1.89 -3.47 103.07 96.80 3hux h GLY 55 Ca 0.00 -1.20 -0.51 0.00 0.00 0.00 0.00 47.33 45.62 3hux h GLY 55 CO 0.00 1.07 -0.63 -1.06 0.00 0.00 0.00 176.54 175.92 3hux n GLN 56 N -3.90 -0.77 -0.10 4.80 1.13 -1.04 -5.03 117.38 112.48 3hux n GLN 56 Ca -0.08 -0.19 -0.19 0.00 -1.94 0.00 0.00 57.00 54.61 3hux n GLN 56 Cb 0.78 -1.87 -0.10 0.00 0.11 0.00 0.00 30.24 29.16 3hux n GLN 56 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3hux h GLU 57 N -1.78 0.00 -3.10 -1.09 4.81 -1.78 -3.36 114.58 108.28 3hux h GLU 57 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3hux h GLU 57 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3hux h GLU 57 CO 0.37 0.84 -0.08 1.51 -0.73 0.00 0.00 179.01 180.92 3hux n ILE 58 N -4.47 -0.53 -4.28 2.32 3.06 -1.26 -4.21 119.36 109.98 3hux n ILE 58 Ca -0.27 0.22 -0.17 0.00 -2.50 0.00 0.00 62.75 60.02 3hux n ILE 58 Cb 0.61 -0.35 -0.14 0.00 0.54 0.00 0.00 39.64 40.30 3hux n ILE 58 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 3hux s THR 59 N -0.96 0.61 0.27 9.51 -1.32 -1.25 -4.17 115.64 118.32 3hux s THR 59 Ca 0.00 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 3hux s THR 59 Cb 0.00 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 3hux s THR 59 CO 0.00 0.14 0.25 -0.36 -2.21 0.00 0.00 174.62 172.44 3hux s PHE 60 N -0.25 3.11 -0.40 9.09 0.08 -0.52 -4.95 117.98 124.15 3hux s PHE 60 Ca 0.02 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.95 3hux s PHE 60 Cb -0.03 -1.53 0.12 0.00 -0.57 0.00 0.00 43.02 41.01 3hux s PHE 60 CO -0.00 0.42 0.18 0.50 -0.10 0.00 0.00 175.22 176.22 3hux s ARG 61 N -3.91 1.23 0.02 0.44 3.52 -1.26 -1.86 118.95 117.13 3hux s ARG 61 Ca 0.35 -1.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.15 3hux s ARG 61 Cb -0.08 -2.44 -0.01 0.00 -1.56 0.00 0.00 34.95 30.86 3hux s ARG 61 CO 0.26 -1.09 -0.06 0.54 -0.81 0.00 0.00 175.30 174.15 3hux s VAL 62 N 0.67 0.41 0.12 7.11 0.11 -0.84 -0.61 120.40 127.36 3hux s VAL 62 Ca 0.15 -0.62 -0.35 0.00 -2.93 0.00 0.00 61.98 58.23 3hux s VAL 62 Cb -0.22 -0.42 -0.16 0.00 -1.53 0.00 0.00 36.38 34.05 3hux s VAL 62 CO -0.07 -0.15 1.35 0.00 -3.33 0.00 0.00 175.10 172.90 3hux n ALA 63 N 2.23 -0.47 -0.27 1.54 0.00 -1.26 -2.08 120.51 120.21 3hux n ALA 63 Ca -0.18 0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.88 3hux n ALA 63 Cb 0.57 -2.12 0.25 0.00 0.00 0.00 0.00 19.45 18.15 3hux n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ALA 64 N 2.46 0.44 -0.13 0.00 0.00 0.37 0.17 120.51 123.81 3hux n ALA 64 Ca 0.17 0.82 -0.03 0.00 0.00 0.00 0.00 53.44 54.40 3hux n ALA 64 Cb 0.22 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3hux n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hux n SER 65 N -5.05 -0.33 0.00 0.00 2.88 -1.26 -1.32 113.62 108.54 3hux n SER 65 Ca 0.19 1.21 0.12 0.00 -1.33 0.00 0.00 58.87 59.06 3hux n SER 65 Cb 0.64 -0.40 0.70 0.00 -0.75 0.00 0.00 64.21 64.40 3hux n SER 65 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3hux n HIS 66 N -3.69 0.00 -0.41 0.66 -0.00 0.13 -4.17 115.22 107.73 3hux n HIS 66 Ca 0.01 0.00 0.36 0.00 -0.00 0.00 0.00 57.72 58.09 3hux n HIS 66 Cb 0.08 -0.03 0.62 0.00 -0.00 0.00 0.00 29.99 30.66 3hux n HIS 66 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3hux n ILE 67 N -1.03 -0.27 0.10 1.59 5.41 -0.44 0.23 119.36 124.96 3hux n ILE 67 Ca 0.17 1.75 -0.03 0.00 1.00 0.00 0.00 62.75 65.64 3hux n ILE 67 Cb 0.09 -2.86 0.03 0.00 -0.71 0.00 0.00 39.64 36.19 3hux n ILE 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hux h PRO 68 N 0.00 0.00 -0.21 0.38 0.13 -1.81 -2.97 132.00 127.52 3hux h PRO 68 Ca 0.82 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 66.01 3hux h PRO 68 Cb 2.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 33.66 3hux h PRO 68 CO -0.51 0.78 0.33 -0.22 -0.23 0.00 0.00 178.00 178.16 3hux h LYS 69 N 0.00 0.00 0.33 0.86 1.63 0.26 -1.55 116.57 118.10 3hux h LYS 69 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3hux h LYS 69 Cb 1.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 3hux h LYS 69 CO 0.10 0.00 -0.16 0.28 -3.45 0.00 0.00 179.45 176.22 3hux h VAL 70 N 0.00 0.00 0.00 2.00 2.07 -1.38 -2.76 116.25 116.18 3hux h VAL 70 Ca 0.10 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hux h VAL 70 Cb 0.77 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3hux h VAL 70 CO -0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 3hux n TYR 71 N -4.73 0.00 0.07 1.57 4.02 -0.88 0.41 117.16 117.62 3hux n TYR 71 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.74 3hux n TYR 71 Cb 0.17 -0.44 -0.07 0.00 -0.02 0.00 0.00 39.34 38.98 3hux n TYR 71 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3hux h GLU 72 N 0.00 -0.24 0.12 -0.72 4.22 -1.27 -3.07 114.58 113.63 3hux h GLU 72 Ca 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 3hux h GLU 72 Cb 0.06 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hux h GLU 72 CO 0.00 0.14 -0.16 -0.07 -2.18 0.00 0.00 179.01 176.74 3hux h LEU 73 N -0.91 -0.47 -0.97 1.64 3.38 0.25 -2.15 115.31 116.09 3hux h LEU 73 Ca -0.03 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.34 3hux h LEU 73 Cb 0.50 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 3hux h LEU 73 CO 0.04 -0.20 0.60 0.52 0.09 0.00 0.00 178.44 179.49 3hux n VAL 74 N -3.33 -0.23 0.00 1.22 0.31 -0.27 0.25 118.33 116.28 3hux n VAL 74 Ca -0.04 1.42 0.00 0.00 -0.01 0.00 0.00 64.34 65.71 3hux n VAL 74 Cb 0.14 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 30.75 3hux n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hux n GLU 75 N -4.35 0.00 0.22 5.55 4.07 -0.86 -2.43 120.64 122.83 3hux n GLU 75 Ca 0.30 0.18 0.17 0.00 -0.06 0.00 0.00 57.16 57.76 3hux n GLU 75 Cb 1.14 -0.84 0.75 0.00 -0.06 0.00 0.00 31.44 32.42 3hux n GLU 75 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 3hux h ARG 76 N 0.00 0.00 0.00 5.31 0.11 -0.79 1.64 114.38 120.65 3hux h ARG 76 Ca 0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 3hux h ARG 76 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 3hux h ARG 76 CO 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 179.97 179.56 3hux h ALA 77 N 1.34 1.12 -3.00 0.08 0.00 0.32 -3.34 119.26 115.77 3hux h ALA 77 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hux h ALA 77 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hux h ALA 77 CO -0.00 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.52 3hux n LYS 78 N -3.87 0.00 -1.40 0.00 5.02 0.56 -3.74 118.16 114.73 3hux n LYS 78 Ca -0.01 0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 56.31 3hux n LYS 78 Cb 0.53 -0.74 -0.16 0.00 -0.02 0.00 0.00 35.03 34.64 3hux n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hux n GLY 79 N -0.44 -0.36 0.00 0.72 0.00 -1.26 -4.59 105.19 99.28 3hux n GLY 79 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hux n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hux n LEU 80 N 7.03 0.00 -4.52 0.99 0.00 -1.24 -5.07 117.00 114.18 3hux n LEU 80 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 56.09 3hux n LEU 80 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.65 3hux n LEU 80 CO 0.90 0.00 1.22 -0.75 0.00 0.00 0.00 177.39 178.76 3hux s LYS 81 N -2.00 3.46 -0.51 1.96 2.20 -1.26 -4.89 119.74 118.70 3hux s LYS 81 Ca 0.00 -1.07 0.05 0.00 -0.36 0.00 0.00 55.97 54.59 3hux s LYS 81 Cb 0.00 -4.90 0.38 0.00 -1.51 0.00 0.00 37.83 31.80 3hux s LYS 81 CO 0.00 -2.05 1.04 1.28 -0.36 0.00 0.00 175.35 175.26 3hux n LEU 82 N 8.31 4.63 0.00 5.43 7.99 -1.26 -5.04 117.00 137.06 3hux n LEU 82 Ca 0.21 -5.43 0.00 0.00 -0.01 0.00 0.00 56.01 50.78 3hux n LEU 82 Cb 0.50 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3hux n LEU 82 CO 0.63 2.29 0.00 -0.62 -1.51 0.00 0.00 177.39 178.18 3hux n GLU 83 N -0.37 3.93 -2.18 3.23 4.71 -1.26 -4.67 120.64 124.02 3hux n GLU 83 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 3hux n GLU 83 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 3hux n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hux n GLY 84 N 5.00 -4.46 3.28 0.62 0.00 -1.26 -4.76 105.19 103.61 3hux n GLY 84 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 46.02 45.45 3hux n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hux n LEU 85 N 1.89 0.18 0.00 0.99 4.77 -1.26 -4.85 117.00 118.72 3hux n LEU 85 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3hux n LEU 85 Cb 0.00 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3hux n LEU 85 CO 0.00 -1.60 0.00 -1.54 -1.33 0.00 0.00 177.39 172.92 3hux n SER 86 N 1.78 0.00 -0.06 -1.43 3.41 -1.26 -5.00 113.62 111.05 3hux n SER 86 Ca 0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 3hux n SER 86 Cb 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3hux n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hux h PRO 87 N 0.00 -0.22 -0.27 4.33 0.13 -1.98 -1.36 132.00 132.63 3hux h PRO 87 Ca 0.00 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 3hux h PRO 87 Cb 0.00 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.11 3hux h PRO 87 CO 0.00 -0.15 -0.18 -0.22 -0.23 0.00 0.00 178.00 177.23 3hux h LYS 88 N -0.23 -0.15 -0.14 0.86 3.11 -2.00 -2.28 116.57 115.75 3hux h LYS 88 Ca 0.15 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.04 3hux h LYS 88 Cb 0.45 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.66 3hux h LYS 88 CO -0.40 -0.10 -0.17 0.93 -2.81 0.00 0.00 179.45 176.90 3hux h GLU 89 N -0.15 -0.20 0.00 1.90 5.08 -1.83 -2.81 114.58 116.56 3hux h GLU 89 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hux h GLU 89 Cb 0.38 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hux h GLU 89 CO -0.36 -0.14 0.00 -0.89 -1.00 0.00 0.00 179.01 176.62 3hux n ILE 90 N -5.32 0.00 -0.30 3.13 2.08 -0.56 -0.10 119.36 118.29 3hux n ILE 90 Ca -0.03 1.18 0.18 0.00 0.56 0.00 0.00 62.75 64.65 3hux n ILE 90 Cb 0.23 -1.62 0.34 0.00 -0.75 0.00 0.00 39.64 37.84 3hux n ILE 90 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3hux n LYS 91 N -2.30 -0.07 0.31 0.38 4.81 -1.13 0.11 118.16 120.28 3hux n LYS 91 Ca 0.00 1.31 -0.17 0.00 -0.87 0.00 0.00 58.31 58.58 3hux n LYS 91 Cb 0.00 -2.16 -0.08 0.00 0.02 0.00 0.00 35.03 32.81 3hux n LYS 91 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3hux h LYS 92 N 0.00 -0.80 0.00 1.64 1.63 -0.25 -0.12 116.57 118.67 3hux h LYS 92 Ca 0.61 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 3hux h LYS 92 Cb 1.38 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 3hux h LYS 92 CO -0.80 -0.53 0.00 0.39 -3.45 0.00 0.00 179.45 175.06 3hux n GLU 93 N -5.47 0.00 -0.10 1.90 -0.58 0.31 -1.59 120.64 115.11 3hux n GLU 93 Ca -0.12 0.31 -0.20 0.00 -0.42 0.00 0.00 57.16 56.73 3hux n GLU 93 Cb 0.36 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 3hux n GLU 93 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3hux h LEU 94 N 0.00 0.00 -0.02 -4.62 6.46 0.11 -3.35 115.31 113.88 3hux h LEU 94 Ca 0.00 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 3hux h LEU 94 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3hux h LEU 94 CO 0.00 1.40 -0.06 0.00 -0.62 0.00 0.00 178.44 179.16 3hux n LEU 95 N -4.47 0.09 0.15 2.25 -0.00 -0.17 -2.14 117.00 112.72 3hux n LEU 95 Ca -0.28 0.35 0.10 0.00 -0.00 0.00 0.00 56.01 56.17 3hux n LEU 95 Cb 0.64 -0.39 0.52 0.00 -0.00 0.00 0.00 43.42 44.19 3hux n LEU 95 CO 0.21 0.02 0.80 2.29 -0.00 0.00 0.00 177.39 180.71 3hux n LYS 96 N -1.39 0.12 0.00 1.47 2.85 -0.62 -3.17 118.16 117.42 3hux n LYS 96 Ca 0.09 0.62 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 3hux n LYS 96 Cb 0.31 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 3hux n LYS 96 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hux n LEU 97 N -2.17 1.08 0.00 -5.58 4.77 -0.91 -5.10 117.00 109.09 3hux n LEU 97 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3hux n LEU 97 Cb 0.07 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hux n LEU 97 CO 0.08 -0.06 0.06 0.00 -1.33 0.00 0.00 177.39 176.15