#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n LEU 6 N 0.00 0.00 -0.10 -2.67 4.77 -1.26 -5.11 117.00 112.63 3hux n LEU 6 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3hux n LEU 6 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3hux n LEU 6 CO 0.00 0.00 -0.89 -1.14 -1.33 0.00 0.00 177.39 174.03 3hux n ARG 7 N 0.00 0.52 -2.57 3.23 3.00 -1.26 -4.68 116.66 114.91 3hux n ARG 7 Ca 0.00 0.22 -0.42 0.00 -0.00 0.00 0.00 57.85 57.64 3hux n ARG 7 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 32.46 31.04 3hux n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3hux s PRO 8 N -2.75 3.82 0.00 -0.14 0.04 -1.26 -3.62 135.00 131.10 3hux s PRO 8 Ca -0.31 -1.65 0.00 0.00 0.04 0.00 0.00 61.00 59.09 3hux s PRO 8 Cb 0.07 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 29.14 3hux s PRO 8 CO 0.43 -2.25 0.00 0.27 0.04 0.00 0.00 177.00 175.49 3hux n ASN 9 N 8.63 0.00 -0.11 6.66 0.23 -1.26 -5.01 115.26 124.40 3hux n ASN 9 Ca 0.43 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 54.31 3hux n ASN 9 Cb 0.48 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.05 3hux n ASN 9 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 3hux n PRO 10 N 0.00 0.67 0.00 -0.53 -0.02 -1.24 -4.99 135.00 128.89 3hux n PRO 10 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3hux n PRO 10 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3hux n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hux n GLY 11 N 2.13 0.00 3.25 -1.23 0.00 -1.26 -4.60 105.19 103.48 3hux n GLY 11 Ca -0.42 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.14 3hux n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 12 N 0.04 -2.86 -2.07 4.61 0.00 -1.26 -4.94 120.51 114.03 3hux n ALA 12 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 3hux n ALA 12 Cb 0.00 -1.55 0.04 0.00 0.00 0.00 0.00 19.45 17.94 3hux n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hux s ASN 13 N -0.86 5.38 0.00 0.00 6.03 -1.26 -4.84 114.94 119.39 3hux s ASN 13 Ca 0.63 0.31 0.00 0.00 -1.03 0.00 0.00 52.86 52.78 3hux s ASN 13 Cb -0.92 -1.26 0.00 0.00 -3.03 0.00 0.00 41.25 36.05 3hux s ASN 13 CO 0.53 -1.11 0.00 0.29 -2.03 0.00 0.00 177.10 174.78 3hux n LYS 14 N -2.45 0.00 -3.84 3.55 5.02 -1.26 -4.29 118.16 114.89 3hux n LYS 14 Ca 0.06 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 3hux n LYS 14 Cb 0.59 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.43 3hux n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hux s ARG 15 N 0.00 1.10 -0.01 1.97 0.52 -1.26 -4.85 118.95 116.42 3hux s ARG 15 Ca 0.00 -0.17 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 3hux s ARG 15 Cb 0.00 -1.45 -0.10 0.00 0.52 0.00 0.00 34.95 33.92 3hux s ARG 15 CO 0.00 -0.33 0.14 2.89 0.02 0.00 0.00 175.30 178.01 3hux n ARG 16 N 5.02 0.23 -0.26 3.54 -4.01 -1.26 -4.99 116.66 114.93 3hux n ARG 16 Ca -0.10 -0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 3hux n ARG 16 Cb 0.49 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.77 3hux n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3hux n LYS 17 N -1.72 -1.53 0.00 2.89 3.00 -1.26 -4.66 118.16 114.88 3hux n LYS 17 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3hux n LYS 17 Cb 0.17 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 32.57 3hux n LYS 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3hux n ARG 18 N -0.26 0.00 -3.46 1.64 5.12 -1.26 -4.15 116.66 114.28 3hux n ARG 18 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3hux n ARG 18 Cb 0.00 -0.79 -0.07 0.00 -1.16 0.00 0.00 32.46 30.44 3hux n ARG 18 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3hux s VAL 19 N -0.09 4.60 0.00 1.55 -7.23 -1.26 -5.05 120.40 112.92 3hux s VAL 19 Ca 0.00 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3hux s VAL 19 Cb 0.00 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.96 3hux s VAL 19 CO 0.00 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3hux n GLY 20 N 5.04 -0.75 3.11 2.32 0.00 -1.26 -5.03 105.19 108.62 3hux n GLY 20 Ca -0.10 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3hux n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hux s ARG 21 N -2.20 2.27 0.18 1.61 3.52 -1.26 -5.08 118.95 117.98 3hux s ARG 21 Ca 0.00 -2.12 -0.29 0.00 -0.13 0.00 0.00 55.73 53.18 3hux s ARG 21 Cb 0.00 -3.67 -0.08 0.00 -1.56 0.00 0.00 34.95 29.65 3hux s ARG 21 CO 0.00 -1.12 0.93 0.20 -0.81 0.00 0.00 175.30 174.50 3hux s GLY 22 N 1.39 3.05 -0.34 8.12 0.00 -1.26 -4.99 107.32 113.28 3hux s GLY 22 Ca 0.12 0.57 0.07 0.00 0.00 0.00 0.00 44.72 45.48 3hux s GLY 22 CO -0.04 1.26 1.54 -1.05 0.00 0.00 0.00 173.10 174.81 3hux n PRO 23 N 2.05 2.13 -3.78 2.90 -0.02 -1.26 -4.69 135.00 132.33 3hux n PRO 23 Ca -0.01 -3.29 -0.37 0.00 -2.02 0.00 0.00 63.50 57.81 3hux n PRO 23 Cb 0.48 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 3hux n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hux s GLY 24 N -2.47 1.87 0.00 -1.23 0.00 -1.26 -4.26 107.32 99.97 3hux s GLY 24 Ca 0.48 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3hux s GLY 24 CO 0.01 0.83 0.00 -1.26 0.00 0.00 0.00 173.10 172.68 3hux n SER 25 N 4.73 0.00 -0.03 1.64 2.88 -1.26 -4.95 113.62 116.63 3hux n SER 25 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3hux n SER 25 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3hux n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hux n GLY 26 N -0.98 0.00 3.19 0.46 0.00 -1.26 -3.69 105.19 102.90 3hux n GLY 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3hux n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hux s HIS 27 N -1.91 -0.71 0.00 1.61 5.65 -1.26 -4.93 115.29 113.73 3hux s HIS 27 Ca 0.00 1.36 0.00 0.00 0.25 0.00 0.00 55.06 56.67 3hux s HIS 27 Cb 0.00 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.61 3hux s HIS 27 CO 0.00 -0.47 0.00 0.41 -0.65 0.00 0.00 174.74 174.03 3hux n GLY 28 N 5.38 0.66 2.34 1.59 0.00 -1.26 -4.68 105.19 109.22 3hux n GLY 28 Ca -0.08 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 3hux n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hux n LYS 29 N 0.00 2.83 -0.26 1.61 4.01 -1.26 -4.96 118.16 120.13 3hux n LYS 29 Ca 0.00 -2.19 -0.20 0.00 -0.51 0.00 0.00 58.31 55.41 3hux n LYS 29 Cb 0.00 -2.26 0.19 0.00 -0.51 0.00 0.00 35.03 32.45 3hux n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3hux n THR 30 N 1.71 0.00 0.00 -0.18 -1.04 -1.24 -3.78 114.28 109.75 3hux n THR 30 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 3hux n THR 30 Cb 0.56 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3hux n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hux n ALA 31 N -4.74 0.00 0.00 2.41 0.00 -1.26 0.19 120.51 117.11 3hux n ALA 31 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hux n ALA 31 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3hux n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hux n THR 32 N 0.00 1.48 -0.69 0.00 -2.24 -1.26 -4.94 114.28 106.62 3hux n THR 32 Ca 0.00 0.38 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 3hux n THR 32 Cb 0.00 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 3hux n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hux n ARG 33 N -1.36 -1.50 -1.35 -0.78 3.00 0.51 -4.56 116.66 110.62 3hux n ARG 33 Ca 0.00 1.12 -0.48 0.00 -0.00 0.00 0.00 57.85 58.49 3hux n ARG 33 Cb 0.02 -1.79 -0.04 0.00 0.00 0.00 0.00 32.46 30.64 3hux n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hux n GLY 34 N -3.33 -1.33 4.86 5.14 0.00 -1.26 -4.33 105.19 104.94 3hux n GLY 34 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.43 3hux n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hux n HIS 35 N 0.33 -1.53 0.00 1.61 8.25 -1.26 -5.00 115.22 117.62 3hux n HIS 35 Ca 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3hux n HIS 35 Cb 0.20 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3hux n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hux n LYS 36 N -0.61 0.00 0.00 -0.41 5.02 -1.26 -4.83 118.16 116.08 3hux n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hux n LYS 36 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 3hux n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hux n GLY 37 N -0.51 0.38 0.00 0.72 0.00 -1.26 -4.76 105.19 99.75 3hux n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hux n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLN 38 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.15 117.38 123.22 3hux n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3hux n GLN 38 Cb 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 3hux n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3hux n LYS 39 N 0.00 0.00 -0.33 2.61 4.76 -1.26 -5.00 118.16 118.94 3hux n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3hux n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3hux n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3hux n SER 40 N 0.00 -0.99 -3.27 4.39 2.88 -1.26 -4.93 113.62 110.44 3hux n SER 40 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 3hux n SER 40 Cb 0.00 -0.17 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 3hux n SER 40 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hux s ARG 41 N -0.66 0.91 0.00 -1.46 1.81 -1.26 -4.42 118.95 113.86 3hux s ARG 41 Ca 0.00 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.18 3hux s ARG 41 Cb 0.00 -1.11 0.00 0.00 -0.45 0.00 0.00 34.95 33.39 3hux s ARG 41 CO 0.00 -1.36 0.00 -1.13 -0.68 0.00 0.00 175.30 172.13 3hux n SER 42 N 2.96 0.00 0.00 0.23 3.41 -1.26 -4.83 113.62 114.13 3hux n SER 42 Ca 0.26 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 3hux n SER 42 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3hux n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hux n GLY 43 N 0.00 -0.09 0.00 5.00 0.00 -1.26 -5.14 105.19 103.70 3hux n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hux n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 44 N 0.00 4.48 3.23 -0.02 0.00 -1.26 -5.13 105.19 106.50 3hux n GLY 44 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3hux n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hux s LEU 45 N 0.00 2.13 0.42 0.99 0.20 -1.26 -4.57 118.68 116.59 3hux s LEU 45 Ca 0.00 -0.47 0.34 0.00 0.69 0.00 0.00 54.13 54.69 3hux s LEU 45 Cb 0.00 -0.98 1.38 0.00 -0.43 0.00 0.00 46.19 46.16 3hux s LEU 45 CO 0.00 0.18 1.36 1.17 -0.29 0.00 0.00 176.35 178.77 3hux n LYS 46 N 2.07 -0.02 0.00 1.98 3.00 -1.26 -4.67 118.16 119.25 3hux n LYS 46 Ca -0.17 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 3hux n LYS 46 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.40 3hux n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3hux n ASP 47 N -4.15 0.00 -0.03 3.14 -0.08 -1.26 -4.97 116.55 109.20 3hux n ASP 47 Ca 0.36 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.62 3hux n ASP 47 Cb 1.51 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.96 3hux n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hux n PRO 48 N -0.20 0.17 0.00 -0.67 -0.04 -1.26 -5.04 135.00 127.95 3hux n PRO 48 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3hux n PRO 48 Cb 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3hux n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hux n ARG 49 N -3.11 0.00 -0.07 0.54 1.74 -1.26 0.19 116.66 114.70 3hux n ARG 49 Ca -0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 3hux n ARG 49 Cb 0.13 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.44 3hux n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3hux h ARG 50 N 0.00 0.02 -7.34 5.56 0.11 -2.00 -3.48 114.38 107.25 3hux h ARG 50 Ca 0.00 -0.03 -0.50 0.00 0.10 0.00 0.00 59.98 59.55 3hux h ARG 50 Cb 0.00 0.01 0.13 0.00 1.11 0.00 0.00 29.97 31.22 3hux h ARG 50 CO 0.00 1.02 0.31 -0.06 0.10 0.00 0.00 179.97 181.34 3hux s PHE 51 N -2.25 2.64 0.00 4.08 0.08 0.51 -4.62 117.98 118.41 3hux s PHE 51 Ca -0.20 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.24 3hux s PHE 51 Cb -0.02 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3hux s PHE 51 CO 0.69 -1.86 0.00 0.39 -0.10 0.00 0.00 175.22 174.34 3hux n GLU 52 N -3.54 0.00 0.00 0.44 -0.58 -1.26 -4.74 120.64 110.95 3hux n GLU 52 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3hux n GLU 52 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 3hux n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hux n GLY 53 N -0.97 3.53 0.00 0.62 0.00 -1.26 -4.42 105.19 102.68 3hux n GLY 53 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3hux n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 54 N 0.00 1.16 0.00 -0.02 0.00 -1.26 -5.05 105.19 100.02 3hux n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hux n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux n ARG 55 N -1.61 0.00 0.00 1.61 1.74 -1.26 -5.00 116.66 112.15 3hux n ARG 55 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3hux n ARG 55 Cb 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 3hux n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hux n SER 56 N -0.75 0.00 0.00 0.55 7.64 -1.26 -5.07 113.62 114.72 3hux n SER 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hux n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hux n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hux n THR 57 N 0.00 0.00 0.00 0.44 -2.24 -1.26 -1.89 114.28 109.33 3hux n THR 57 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hux n THR 57 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3hux n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hux n THR 58 N 0.00 0.00 -0.88 4.28 -1.04 -1.26 -4.96 114.28 110.42 3hux n THR 58 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3hux n THR 58 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 3hux n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hux n LEU 59 N 0.00 2.05 0.11 -4.42 0.00 -0.79 -4.49 117.00 109.46 3hux n LEU 59 Ca 0.00 -2.62 -0.23 0.00 0.00 0.00 0.00 56.01 53.16 3hux n LEU 59 Cb 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 43.42 42.98 3hux n LEU 59 CO 0.00 0.61 -0.18 0.24 0.00 0.00 0.00 177.39 178.07 3hux h MET 60 N 0.00 0.46 -6.76 1.96 2.86 -1.93 -3.45 114.93 108.07 3hux h MET 60 Ca 0.00 -0.78 -0.55 0.00 -2.06 0.00 0.00 59.70 56.31 3hux h MET 60 Cb 0.91 0.29 0.09 0.00 0.06 0.00 0.00 31.60 32.95 3hux h MET 60 CO 0.00 1.37 0.77 2.89 1.06 0.00 0.00 176.91 183.01 3hux n ARG 61 N -3.84 2.49 -3.02 1.72 -4.01 -1.26 -4.97 116.66 103.77 3hux n ARG 61 Ca -0.17 0.88 -0.26 0.00 -1.04 0.00 0.00 57.85 57.27 3hux n ARG 61 Cb 1.02 -2.61 -0.01 0.00 -3.04 0.00 0.00 32.46 27.82 3hux n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 3hux s LEU 62 N -0.55 3.83 -0.86 2.89 -0.00 -1.26 -5.03 118.68 117.69 3hux s LEU 62 Ca 0.63 0.69 -0.08 0.00 -0.00 0.00 0.00 54.13 55.38 3hux s LEU 62 Cb -0.54 -3.60 -0.16 0.00 -0.00 0.00 0.00 46.19 41.90 3hux s LEU 62 CO 0.52 -0.43 3.09 -2.65 -0.00 0.00 0.00 176.35 176.88 3hux n PRO 63 N -1.97 2.77 0.10 1.48 -0.02 -1.26 -4.66 135.00 131.44 3hux n PRO 63 Ca -0.02 -1.58 0.06 0.00 -2.02 0.00 0.00 63.50 59.94 3hux n PRO 63 Cb 0.56 -2.41 0.33 0.00 -0.02 0.00 0.00 33.50 31.96 3hux n PRO 63 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hux n LYS 64 N 3.18 0.08 0.00 -0.52 0.00 -1.26 -2.41 118.16 117.23 3hux n LYS 64 Ca 0.59 0.56 0.00 0.00 0.00 0.00 0.00 58.31 59.46 3hux n LYS 64 Cb 0.49 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.70 3hux n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3hux n ARG 65 N -1.92 0.00 -1.32 1.64 3.00 -1.26 -4.77 116.66 112.03 3hux n ARG 65 Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.85 57.39 3hux n ARG 65 Cb 0.08 -1.39 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 3hux n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hux n GLY 66 N 1.12 -2.22 2.16 -0.13 0.00 -1.01 -4.07 105.19 101.04 3hux n GLY 66 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hux n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hux n MET 67 N 1.15 -1.71 -2.70 1.61 0.00 -1.26 -5.04 117.12 109.17 3hux n MET 67 Ca 0.14 1.63 -0.04 0.00 -0.00 0.00 0.00 57.70 59.43 3hux n MET 67 Cb 0.32 -3.41 0.10 0.00 0.00 0.00 0.00 33.22 30.23 3hux n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hux n GLN 68 N 0.18 1.33 0.00 2.12 -0.00 -1.26 -5.10 117.38 114.65 3hux n GLN 68 Ca 0.02 -2.03 0.00 0.00 -0.00 0.00 0.00 57.00 54.99 3hux n GLN 68 Cb 0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 30.24 30.05 3hux n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hux n GLY 69 N -0.88 2.63 0.00 2.61 0.00 -1.26 -5.14 105.19 103.14 3hux n GLY 69 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hux n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hux n GLN 70 N 0.00 2.86 -0.07 1.61 -0.06 -1.26 -5.10 117.38 115.37 3hux n GLN 70 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 3hux n GLN 70 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 3hux n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3hux n VAL 71 N -0.07 0.96 -0.44 1.69 3.14 -1.26 -4.37 118.33 117.98 3hux n VAL 71 Ca 0.00 -0.12 0.37 0.00 -2.96 0.00 0.00 64.34 61.64 3hux n VAL 71 Cb 0.00 -1.77 0.65 0.00 -1.06 0.00 0.00 33.84 31.66 3hux n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3hux h PRO 72 N -0.56 0.04 0.00 1.45 0.11 -2.08 -3.44 132.00 127.53 3hux h PRO 72 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hux h PRO 72 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hux h PRO 72 CO -0.19 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.04 3hux n GLY 73 N -1.48 0.28 3.73 -0.55 0.00 -1.26 -5.08 105.19 100.83 3hux n GLY 73 Ca 0.39 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3hux n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hux s GLU 74 N -1.13 3.88 -0.24 1.61 2.12 -1.26 -4.26 118.70 119.42 3hux s GLU 74 Ca 0.00 -0.25 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 3hux s GLU 74 Cb 0.00 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3hux s GLU 74 CO 0.00 0.43 1.86 0.42 -0.54 0.00 0.00 175.26 177.43 3hux s ILE 75 N -0.03 3.39 -0.46 -3.70 1.09 -1.26 -4.91 121.20 115.32 3hux s ILE 75 Ca 0.08 0.42 -0.27 0.00 -1.10 0.00 0.00 60.65 59.77 3hux s ILE 75 Cb -0.12 -3.45 -0.02 0.00 -1.06 0.00 0.00 42.46 37.81 3hux s ILE 75 CO 0.00 -0.24 1.85 -0.75 -0.10 0.00 0.00 174.94 175.71 3hux s LYS 76 N 5.42 2.97 0.15 2.79 2.20 -1.26 -4.94 119.74 127.07 3hux s LYS 76 Ca 0.83 1.08 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 3hux s LYS 76 Cb -0.28 -4.30 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 3hux s LYS 76 CO 0.33 -2.30 -0.01 -0.98 -0.36 0.00 0.00 175.35 172.03 3hux s ARG 77 N 6.38 1.04 0.09 4.03 1.70 -1.26 -5.14 118.95 125.79 3hux s ARG 77 Ca 0.75 -1.48 -0.31 0.00 -0.47 0.00 0.00 55.73 54.22 3hux s ARG 77 Cb -0.18 -0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 33.91 3hux s ARG 77 CO 0.28 -0.11 1.21 -1.25 -1.08 0.00 0.00 175.30 174.35 3hux s PRO 78 N -3.90 4.44 0.07 3.89 0.04 -1.26 -5.05 135.00 133.22 3hux s PRO 78 Ca 0.21 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3hux s PRO 78 Cb 0.06 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 3hux s PRO 78 CO 0.02 -0.24 0.04 -0.98 0.04 0.00 0.00 177.00 175.88 3hux s ARG 79 N 0.80 2.76 -0.01 4.56 1.70 -1.26 -5.09 118.95 122.40 3hux s ARG 79 Ca 0.58 -0.72 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 3hux s ARG 79 Cb -0.31 -2.66 -0.03 0.00 -0.57 0.00 0.00 34.95 31.38 3hux s ARG 79 CO 0.31 0.57 -0.12 0.71 -1.08 0.00 0.00 175.30 175.69 3hux s TYR 80 N -1.30 2.75 -0.19 5.89 2.02 -1.26 -3.78 117.35 121.48 3hux s TYR 80 Ca 0.26 -0.13 -0.08 0.00 -0.37 0.00 0.00 57.07 56.75 3hux s TYR 80 Cb -0.12 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3hux s TYR 80 CO 0.18 0.28 0.08 -1.14 -1.57 0.00 0.00 175.55 173.39 3hux s GLN 81 N -1.16 4.01 0.00 -0.62 2.00 -0.13 -4.93 119.66 118.83 3hux s GLN 81 Ca 0.14 -0.32 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 3hux s GLN 81 Cb -0.11 -3.28 0.00 0.00 0.80 0.00 0.00 33.01 30.42 3hux s GLN 81 CO 0.04 0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.48 3hux n GLY 82 N 3.65 -1.09 1.58 2.59 0.00 -1.26 -0.96 105.19 109.71 3hux n GLY 82 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hux n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hux n VAL 83 N 0.00 -3.73 -3.02 1.61 0.31 -1.26 -3.37 118.33 108.87 3hux n VAL 83 Ca 0.00 0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 64.15 3hux n VAL 83 Cb 0.00 -3.75 -0.05 0.00 -0.91 0.00 0.00 33.84 29.13 3hux n VAL 83 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3hux s ASN 84 N -0.05 7.17 0.54 4.52 0.02 -1.18 -0.33 114.94 125.63 3hux s ASN 84 Ca -0.02 1.40 0.43 0.00 -1.02 0.00 0.00 52.86 53.64 3hux s ASN 84 Cb 0.00 -2.45 1.63 0.00 0.02 0.00 0.00 41.25 40.45 3hux s ASN 84 CO 0.06 0.02 1.69 0.17 0.02 0.00 0.00 177.10 179.06 3hux h LEU 85 N 5.72 0.02 -1.72 0.60 -0.00 -1.08 0.54 115.31 119.39 3hux h LEU 85 Ca -0.44 0.01 0.46 0.00 -0.00 0.00 0.00 57.88 57.90 3hux h LEU 85 Cb 1.20 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 3hux h LEU 85 CO 0.71 -0.01 1.28 0.50 -0.00 0.00 0.00 178.44 180.92 3hux h LYS 86 N 0.01 0.00 -0.01 0.17 3.64 -1.08 -0.03 116.57 119.27 3hux h LYS 86 Ca 0.76 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.14 3hux h LYS 86 Cb 2.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.81 3hux h LYS 86 CO -0.03 0.00 -0.16 -0.25 -2.27 0.00 0.00 179.45 176.74 3hux n ASP 87 N -3.74 1.26 0.23 4.20 8.00 0.19 -4.23 116.55 122.46 3hux n ASP 87 Ca 0.35 -1.13 0.13 0.00 0.71 0.00 0.00 54.79 54.85 3hux n ASP 87 Cb 1.76 0.39 0.39 0.00 -0.02 0.00 0.00 41.12 43.64 3hux n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hux h LEU 88 N 1.16 0.00 -0.46 0.64 4.07 -1.11 -2.56 115.31 117.05 3hux h LEU 88 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hux h LEU 88 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3hux h LEU 88 CO 0.00 0.08 0.19 0.00 -1.08 0.00 0.00 178.44 177.63 3hux n ALA 89 N -2.13 0.70 0.00 1.53 0.00 -1.17 -0.50 120.51 118.95 3hux n ALA 89 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3hux n ALA 89 Cb 0.45 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 3hux n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hux h ARG 90 N 0.00 0.04 -6.46 0.00 2.43 -1.74 -3.44 114.38 105.21 3hux h ARG 90 Ca 0.00 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.48 3hux h ARG 90 Cb 0.38 -0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.74 3hux h ARG 90 CO 0.00 0.28 -0.75 -0.59 -1.51 0.00 0.00 179.97 177.40 3hux s PHE 91 N -5.20 2.73 -0.45 2.20 -0.71 0.34 -5.11 117.98 111.79 3hux s PHE 91 Ca -0.14 -0.15 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 3hux s PHE 91 Cb 0.04 -1.51 0.12 0.00 -1.21 0.00 0.00 43.02 40.46 3hux s PHE 91 CO 0.67 0.34 0.20 -2.00 -1.34 0.00 0.00 175.22 173.09 3hux s GLU 92 N -1.63 1.64 0.00 1.99 2.12 -1.26 -4.93 118.70 116.63 3hux s GLU 92 Ca 0.17 -2.22 0.00 0.00 0.36 0.00 0.00 54.97 53.28 3hux s GLU 92 Cb -0.11 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3hux s GLU 92 CO 0.08 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 3hux n GLY 93 N 3.58 0.56 2.40 -1.50 0.00 -1.26 -5.08 105.19 103.88 3hux n GLY 93 Ca 0.05 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 3hux n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hux s GLU 94 N 1.66 0.87 0.00 1.61 2.12 -1.26 -3.93 118.70 119.78 3hux s GLU 94 Ca 0.00 -2.02 -0.31 0.00 0.36 0.00 0.00 54.97 53.00 3hux s GLU 94 Cb 0.00 -1.37 -0.10 0.00 0.26 0.00 0.00 34.13 32.92 3hux s GLU 94 CO 0.00 -1.37 1.95 1.33 -0.54 0.00 0.00 175.26 176.63 3hux n VAL 95 N 2.95 0.71 -4.73 3.70 0.24 -0.93 -4.88 118.33 115.40 3hux n VAL 95 Ca 0.28 -0.13 -0.26 0.00 -2.04 0.00 0.00 64.34 62.20 3hux n VAL 95 Cb 0.47 -2.19 -0.16 0.00 -1.47 0.00 0.00 33.84 30.49 3hux n VAL 95 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hux s THR 96 N 4.32 1.32 -0.81 3.34 -4.23 -1.26 -1.38 115.64 116.94 3hux s THR 96 Ca 0.90 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 60.66 3hux s THR 96 Cb -0.51 -1.17 -0.23 0.00 1.34 0.00 0.00 72.50 71.94 3hux s THR 96 CO 0.45 0.39 2.06 -2.65 -0.54 0.00 0.00 174.62 174.33 3hux n PRO 97 N 3.54 0.16 0.00 3.99 -0.02 -1.25 0.87 135.00 142.29 3hux n PRO 97 Ca -0.21 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 3hux n PRO 97 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3hux n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hux n GLU 98 N 6.48 0.00 0.29 -0.52 0.28 -1.26 -4.78 120.64 121.13 3hux n GLU 98 Ca 0.50 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.69 3hux n GLU 98 Cb 0.30 0.00 0.99 0.00 1.43 0.00 0.00 31.44 34.16 3hux n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3hux h LEU 99 N 0.00 0.00 0.00 -1.84 6.46 0.08 0.22 115.31 120.22 3hux h LEU 99 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hux h LEU 99 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3hux h LEU 99 CO 0.00 0.00 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.74 3hux h LEU 100 N 0.00 0.00 0.03 2.25 -0.00 -1.83 -2.19 115.31 113.57 3hux h LEU 100 Ca 0.02 -0.29 0.03 0.00 -0.00 0.00 0.00 57.88 57.64 3hux h LEU 100 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 3hux h LEU 100 CO -0.00 0.65 -0.44 -0.37 -0.00 0.00 0.00 178.44 178.27 3hux h VAL 101 N -1.00 0.12 -0.64 1.22 -1.51 -1.21 0.64 116.25 113.86 3hux h VAL 101 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.62 3hux h VAL 101 Cb 0.29 0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 3hux h VAL 101 CO -0.00 0.00 0.44 -0.09 -1.23 0.00 0.00 177.57 176.69 3hux h ARG 102 N -0.62 0.17 0.30 5.19 2.43 -0.77 -2.81 114.38 118.27 3hux h ARG 102 Ca 0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3hux h ARG 102 Cb 0.68 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hux h ARG 102 CO -0.31 0.11 -0.14 0.00 -1.51 0.00 0.00 179.97 178.12 3hux h ALA 103 N 1.69 -0.97 0.00 2.80 0.00 -0.23 -3.47 119.26 119.08 3hux h ALA 103 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hux h ALA 103 Cb 0.96 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hux h ALA 103 CO -0.05 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.67 3hux n GLY 104 N -0.79 0.00 3.25 0.00 0.00 -0.68 -5.08 105.19 101.88 3hux n GLY 104 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3hux n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hux s LEU 105 N 0.00 0.67 0.00 0.99 2.34 -1.10 -4.99 118.68 116.60 3hux s LEU 105 Ca 0.00 0.59 0.00 0.00 0.06 0.00 0.00 54.13 54.78 3hux s LEU 105 Cb 0.00 1.24 0.00 0.00 -0.56 0.00 0.00 46.19 46.87 3hux s LEU 105 CO 0.00 -0.19 0.00 -0.11 -1.06 0.00 0.00 176.35 174.99 3hux n LEU 106 N 2.54 0.00 -1.75 1.48 7.94 -1.26 -2.97 117.00 122.98 3hux n LEU 106 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3hux n LEU 106 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 3hux n LEU 106 CO 0.16 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.73 3hux n LYS 107 N 0.00 0.00 0.00 1.96 2.85 -1.26 -3.34 118.16 118.37 3hux n LYS 107 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3hux n LYS 107 Cb 0.00 -0.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 3hux n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hux n LYS 108 N 1.88 0.00 -0.10 -1.58 4.01 -1.26 -4.45 118.16 116.66 3hux n LYS 108 Ca 0.00 0.00 0.26 0.00 -0.51 0.00 0.00 58.31 58.06 3hux n LYS 108 Cb 0.00 -1.48 0.57 0.00 -0.51 0.00 0.00 35.03 33.61 3hux n LYS 108 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 3hux h GLY 109 N 0.00 0.00 0.00 0.72 0.00 -1.97 -3.45 103.07 98.37 3hux h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hux h GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.52 3hux n TYR 110 N -3.43 0.00 0.00 5.60 9.36 -1.26 -4.68 117.16 122.74 3hux n TYR 110 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 3hux n TYR 110 Cb 1.19 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.90 3hux n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3hux n ARG 111 N 0.00 0.00 -3.67 2.98 1.74 -1.25 -4.43 116.66 112.03 3hux n ARG 111 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3hux n ARG 111 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3hux n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hux s LEU 112 N 0.00 4.40 -0.50 0.55 1.98 -1.26 -0.95 118.68 122.90 3hux s LEU 112 Ca 0.00 0.68 0.08 0.00 -2.89 0.00 0.00 54.13 52.00 3hux s LEU 112 Cb 0.00 -2.33 0.30 0.00 0.66 0.00 0.00 46.19 44.82 3hux s LEU 112 CO 0.00 0.33 0.76 1.17 -1.89 0.00 0.00 176.35 176.72 3hux n LYS 113 N 2.14 1.98 -1.47 1.98 4.81 -0.13 -0.44 118.16 127.03 3hux n LYS 113 Ca -0.16 -4.11 -0.56 0.00 -0.87 0.00 0.00 58.31 52.61 3hux n LYS 113 Cb 0.53 -1.90 -0.07 0.00 0.02 0.00 0.00 35.03 33.62 3hux n LYS 113 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3hux n ILE 114 N 0.47 0.59 -3.61 3.15 0.13 -1.15 -4.62 119.36 114.32 3hux n ILE 114 Ca 0.27 -0.15 -0.00 0.00 -1.10 0.00 0.00 62.75 61.77 3hux n ILE 114 Cb 0.49 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.30 3hux n ILE 114 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hux n LEU 115 N 1.65 0.00 0.00 9.51 -0.00 0.55 -3.03 117.00 125.68 3hux n LEU 115 Ca 0.19 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 3hux n LEU 115 Cb 0.13 0.69 0.00 0.00 -0.00 0.00 0.00 43.42 44.24 3hux n LEU 115 CO 0.59 -0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.48 3hux n GLY 116 N -0.20 -0.34 3.89 1.47 0.00 -1.26 -0.92 105.19 107.83 3hux n GLY 116 Ca -0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 3hux n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hux s GLU 117 N 0.00 2.47 0.00 1.61 2.02 -1.26 -4.54 118.70 119.01 3hux s GLU 117 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.31 3hux s GLU 117 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3hux s GLU 117 CO 0.00 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.41 3hux n GLY 118 N -3.13 1.36 3.90 -1.39 0.00 -1.26 -0.59 105.19 104.07 3hux n GLY 118 Ca 0.07 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 3hux n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hux s GLU 119 N -2.35 3.66 0.59 1.61 0.41 -1.26 -4.62 118.70 116.74 3hux s GLU 119 Ca 0.00 -0.00 -0.10 0.00 -0.41 0.00 0.00 54.97 54.46 3hux s GLU 119 Cb 0.00 -2.76 0.14 0.00 -1.78 0.00 0.00 34.13 29.73 3hux s GLU 119 CO 0.00 0.37 0.76 0.00 -0.49 0.00 0.00 175.26 175.90 3hux n ALA 120 N -0.24 -1.04 -3.19 5.21 0.00 -1.26 -4.49 120.51 115.49 3hux n ALA 120 Ca -0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 3hux n ALA 120 Cb 0.52 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 3hux n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hux s LYS 121 N -4.67 0.69 -0.92 0.00 1.02 -1.26 -5.05 119.74 109.55 3hux s LYS 121 Ca 0.44 -0.25 -0.25 0.00 0.02 0.00 0.00 55.97 55.93 3hux s LYS 121 Cb -0.02 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.54 3hux s LYS 121 CO 0.31 -0.20 2.00 -2.14 -0.92 0.00 0.00 175.35 174.40 3hux s PRO 122 N -1.54 2.42 -0.25 -1.68 0.02 -1.26 -4.73 135.00 127.97 3hux s PRO 122 Ca -0.12 -0.29 -0.26 0.00 0.02 0.00 0.00 61.00 60.35 3hux s PRO 122 Cb -0.04 -5.05 0.13 0.00 0.02 0.00 0.00 34.50 29.56 3hux s PRO 122 CO 0.03 -3.58 1.07 -0.48 -0.33 0.00 0.00 177.00 173.71 3hux s LEU 123 N 10.79 -0.38 -0.01 -5.54 0.05 -1.26 -4.91 118.68 117.42 3hux s LEU 123 Ca 0.73 0.66 -0.30 0.00 0.05 0.00 0.00 54.13 55.27 3hux s LEU 123 Cb -0.07 1.78 -0.06 0.00 -2.05 0.00 0.00 46.19 45.80 3hux s LEU 123 CO 0.02 -0.18 1.55 -0.75 -0.55 0.00 0.00 176.35 176.43 3hux s LYS 124 N -0.14 4.22 -0.34 1.48 2.20 -1.25 -3.10 119.74 122.80 3hux s LYS 124 Ca 0.03 2.12 0.03 0.00 -0.36 0.00 0.00 55.97 57.79 3hux s LYS 124 Cb -0.04 -3.74 0.10 0.00 -1.51 0.00 0.00 37.83 32.64 3hux s LYS 124 CO -0.05 -0.72 0.05 0.14 -0.36 0.00 0.00 175.35 174.41 3hux s VAL 125 N 3.13 2.37 -0.05 4.02 -7.23 -1.26 -2.18 120.40 119.20 3hux s VAL 125 Ca 0.69 -2.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 3hux s VAL 125 Cb -0.33 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3hux s VAL 125 CO 0.28 -0.57 1.05 -0.69 -0.31 0.00 0.00 175.10 174.86 3hux s VAL 126 N 0.94 4.64 0.30 1.32 1.01 -0.48 -3.76 120.40 124.37 3hux s VAL 126 Ca 0.09 1.90 -0.08 0.00 0.00 0.00 0.00 61.98 63.90 3hux s VAL 126 Cb -0.19 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3hux s VAL 126 CO -0.07 0.06 0.50 0.00 0.00 0.00 0.00 175.10 175.59 3hux s ALA 127 N 1.63 0.19 -1.37 5.51 0.00 -1.23 -3.79 121.76 122.70 3hux s ALA 127 Ca 0.52 -1.17 0.22 0.00 0.00 0.00 0.00 51.96 51.53 3hux s ALA 127 Cb -0.21 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 3hux s ALA 127 CO 0.23 -0.83 1.06 0.72 0.00 0.00 0.00 175.76 176.94 3hux n HIS 128 N -0.47 0.00 -3.56 0.00 8.25 0.41 -4.46 115.22 115.39 3hux n HIS 128 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 3hux n HIS 128 Cb 0.62 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 3hux n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hux s ALA 129 N -2.81 -1.97 -0.04 -1.41 0.00 -0.96 -4.83 121.76 109.75 3hux s ALA 129 Ca 0.13 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 3hux s ALA 129 Cb 0.17 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.43 3hux s ALA 129 CO 0.74 -0.65 0.11 -0.06 0.00 0.00 0.00 175.76 175.89 3hux s PHE 130 N -2.72 -0.10 0.40 0.00 0.08 -1.26 -2.93 117.98 111.44 3hux s PHE 130 Ca 0.08 0.24 -0.23 0.00 0.12 0.00 0.00 56.93 57.14 3hux s PHE 130 Cb -0.01 0.03 -0.10 0.00 -0.57 0.00 0.00 43.02 42.37 3hux s PHE 130 CO -0.06 -0.07 0.98 -1.54 -0.10 0.00 0.00 175.22 174.43 3hux s SER 131 N -0.07 6.94 0.29 1.36 1.04 -1.17 -4.83 113.70 117.26 3hux s SER 131 Ca -0.01 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.30 3hux s SER 131 Cb -0.01 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 64.30 3hux s SER 131 CO 0.00 -0.36 1.65 0.11 0.98 0.00 0.00 173.24 175.63 3hux h LYS 132 N 2.39 0.23 -0.40 4.02 1.57 -1.99 0.53 116.57 122.93 3hux h LYS 132 Ca -0.48 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 3hux h LYS 132 Cb 1.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3hux h LYS 132 CO 0.62 0.15 0.09 1.03 -0.57 0.00 0.00 179.45 180.77 3hux h SER 133 N 0.24 0.61 0.28 0.86 0.87 -1.95 -2.69 113.55 111.78 3hux h SER 133 Ca 0.58 -0.24 -0.24 0.00 -1.23 0.00 0.00 61.79 60.65 3hux h SER 133 Cb 1.18 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3hux h SER 133 CO -0.64 0.70 -1.00 0.00 -0.53 0.00 0.00 176.83 175.36 3hux h ALA 134 N 0.94 0.28 -0.98 6.23 0.00 -1.61 -0.89 119.26 123.23 3hux h ALA 134 Ca 0.12 -0.72 0.23 0.00 0.00 0.00 0.00 54.91 54.54 3hux h ALA 134 Cb 0.33 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 3hux h ALA 134 CO 0.00 0.79 0.56 1.25 0.00 0.00 0.00 179.25 181.86 3hux h LEU 135 N 0.26 0.63 0.01 0.00 7.12 -0.91 0.32 115.31 122.75 3hux h LEU 135 Ca -0.10 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 3hux h LEU 135 Cb 1.64 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.81 3hux h LEU 135 CO 0.18 0.12 -0.01 -0.33 -0.13 0.00 0.00 178.44 178.27 3hux h GLU 136 N 0.58 -0.02 0.00 1.25 4.39 -1.13 -1.56 114.58 118.09 3hux h GLU 136 Ca 0.62 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.32 3hux h GLU 136 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hux h GLU 136 CO -0.47 -0.01 0.75 0.87 -1.16 0.00 0.00 179.01 179.00 3hux h LYS 137 N -0.03 0.00 0.00 2.33 1.57 -0.45 5.02 116.57 125.02 3hux h LYS 137 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hux h LYS 137 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hux h LYS 137 CO 0.00 0.00 -1.52 1.28 -0.57 0.00 0.00 179.45 178.65 3hux n LEU 138 N -2.45 0.44 0.00 2.94 4.32 0.11 -3.49 117.00 118.88 3hux n LEU 138 Ca -0.01 0.17 0.05 0.00 -0.02 0.00 0.00 56.01 56.21 3hux n LEU 138 Cb 0.77 -0.01 0.23 0.00 -1.62 0.00 0.00 43.42 42.79 3hux n LEU 138 CO 0.04 -0.07 0.66 1.17 -1.22 0.00 0.00 177.39 177.97 3hux n LYS 139 N -2.50 0.02 0.00 3.23 4.81 1.64 -0.70 118.16 124.66 3hux n LYS 139 Ca -0.03 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3hux n LYS 139 Cb 0.59 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3hux n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hux n ALA 140 N -1.47 2.28 0.00 3.14 0.00 -1.01 -4.79 120.51 118.65 3hux n ALA 140 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hux n ALA 140 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hux n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ALA 141 N -0.33 0.00 0.00 0.00 0.00 0.12 -5.00 120.51 115.30 3hux n ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hux n ALA 141 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3hux n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 142 N 1.33 -0.99 3.72 0.00 0.00 -0.84 -4.26 105.19 104.16 3hux n GLY 142 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3hux n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hux s GLY 143 N 0.00 1.56 -0.44 -0.02 0.00 -1.18 -4.79 107.32 102.44 3hux s GLY 143 Ca 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 44.72 43.23 3hux s GLY 143 CO 0.00 -1.61 0.99 -2.21 0.00 0.00 0.00 173.10 170.27 3hux n GLU 144 N -1.02 0.97 -2.01 2.90 2.13 -1.26 -4.54 120.64 117.80 3hux n GLU 144 Ca -0.07 -2.24 -0.41 0.00 0.66 0.00 0.00 57.16 55.10 3hux n GLU 144 Cb 0.59 -1.22 -0.00 0.00 0.27 0.00 0.00 31.44 31.07 3hux n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hux n PRO 145 N 0.53 3.86 0.00 5.31 -0.02 -1.25 -4.93 135.00 138.51 3hux n PRO 145 Ca 0.11 -3.22 0.00 0.00 -2.02 0.00 0.00 63.50 58.36 3hux n PRO 145 Cb 0.68 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3hux n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3hux n VAL 146 N 3.04 0.00 0.00 -1.45 3.14 -1.26 -3.57 118.33 118.24 3hux n VAL 146 Ca 0.54 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.92 3hux n VAL 146 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 3hux n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3hux n LEU 147 N 0.00 0.00 -0.73 6.55 7.94 -1.26 -4.83 117.00 124.67 3hux n LEU 147 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3hux n LEU 147 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3hux n LEU 147 CO 0.00 0.00 -0.07 0.18 -1.11 0.00 0.00 177.39 176.39 3hux n LEU 148 N 0.00 -0.14 0.00 -1.96 4.77 -1.26 -4.98 117.00 113.43 3hux n LEU 148 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3hux n LEU 148 Cb 0.00 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 3hux n LEU 148 CO 0.00 -0.21 0.00 -0.62 -1.33 0.00 0.00 177.39 175.23 3hux n GLU 149 N -2.88 0.00 0.00 3.23 -0.58 -1.26 -5.08 120.64 114.07 3hux n GLU 149 Ca -0.01 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.76 3hux n GLU 149 Cb 0.08 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.97 3hux n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65