#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gux s VAL 38 N 0.00 4.21 0.17 3.84 1.01 -1.26 -5.03 120.40 123.33 3gux s VAL 38 Ca 0.00 1.58 -0.27 0.00 0.00 0.00 0.00 61.98 63.29 3gux s VAL 38 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 3gux s VAL 38 CO 0.00 0.12 0.84 -0.63 0.00 0.00 0.00 175.10 175.43 3gux s ILE 39 N 1.08 4.34 -0.24 2.22 1.01 -1.26 -5.07 121.20 123.28 3gux s ILE 39 Ca 0.57 1.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.95 3gux s ILE 39 Cb -0.28 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 3gux s ILE 39 CO 0.29 0.48 0.18 -0.75 0.00 0.00 0.00 174.94 175.13 3gux s LYS 40 N -0.92 4.06 0.68 2.79 2.47 -1.26 -4.80 119.74 122.76 3gux s LYS 40 Ca 0.39 -0.25 -0.12 0.00 -1.56 0.00 0.00 55.97 54.42 3gux s LYS 40 Cb -0.24 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 3gux s LYS 40 CO 0.28 0.02 1.07 0.00 0.16 0.00 0.00 175.35 176.87 3gux s ALA 41 N 1.18 2.61 1.01 3.13 0.00 -1.26 -5.02 121.76 123.42 3gux s ALA 41 Ca 0.08 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3gux s ALA 41 Cb -0.14 -3.21 0.20 0.00 0.00 0.00 0.00 23.12 19.96 3gux s ALA 41 CO 0.06 -1.21 1.09 -1.25 0.00 0.00 0.00 175.76 174.44 3gux s PRO 42 N -4.72 0.29 -0.22 0.00 0.04 -1.26 -4.94 135.00 124.20 3gux s PRO 42 Ca 0.60 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3gux s PRO 42 Cb -0.15 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.72 3gux s PRO 42 CO 0.50 -2.99 1.05 -1.21 0.04 0.00 0.00 177.00 174.38 3gux s GLU 43 N -4.63 4.27 0.10 4.56 0.41 -1.26 -4.94 118.70 117.21 3gux s GLU 43 Ca 0.67 1.37 -0.31 0.00 -0.41 0.00 0.00 54.97 56.29 3gux s GLU 43 Cb -0.23 -3.64 -0.09 0.00 -1.78 0.00 0.00 34.13 28.40 3gux s GLU 43 CO 0.60 -0.61 1.62 0.12 -0.49 0.00 0.00 175.26 176.50 3gux s PHE 44 N 3.11 2.65 -0.48 1.61 2.19 -1.26 -4.98 117.98 120.82 3gux s PHE 44 Ca 0.45 0.44 -0.19 0.00 0.33 0.00 0.00 56.93 57.95 3gux s PHE 44 Cb -0.16 -3.94 0.04 0.00 -1.31 0.00 0.00 43.02 37.66 3gux s PHE 44 CO 0.07 -3.67 0.61 0.34 1.83 0.00 0.00 175.22 174.41 3gux s ASP 45 N 1.98 6.25 0.44 6.13 2.15 -1.26 -4.91 116.67 127.45 3gux s ASP 45 Ca 0.72 -0.70 0.21 0.00 0.43 0.00 0.00 52.55 53.21 3gux s ASP 45 Cb -0.41 -2.29 1.04 0.00 -0.30 0.00 0.00 42.92 40.96 3gux s ASP 45 CO 0.32 -0.83 1.91 0.00 -0.17 0.00 0.00 175.17 176.41 3gux h ALA 46 N 8.93 1.24 -0.44 3.66 0.00 -1.93 -2.22 119.26 128.50 3gux h ALA 46 Ca -0.27 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3gux h ALA 46 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3gux h ALA 46 CO 0.92 0.31 -0.23 -0.44 0.00 0.00 0.00 179.25 179.81 3gux h ASP 47 N 0.00 0.93 -0.08 0.00 3.32 -1.92 -0.23 116.42 118.44 3gux h ASP 47 Ca -0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3gux h ASP 47 Cb 0.57 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3gux h ASP 47 CO 0.03 1.11 0.01 -1.28 -1.72 0.00 0.00 179.24 177.39 3gux h SER 48 N 0.78 0.13 -0.39 6.45 0.87 -1.85 -2.09 113.55 117.46 3gux h SER 48 Ca 0.10 -0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3gux h SER 48 Cb 0.78 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 3gux h SER 48 CO 0.07 0.37 0.09 0.00 -0.53 0.00 0.00 176.83 176.82 3gux h ALA 49 N 0.76 0.42 -0.67 6.23 0.00 -1.31 -1.89 119.26 122.81 3gux h ALA 49 Ca 0.02 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3gux h ALA 49 Cb 0.30 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3gux h ALA 49 CO 0.00 -0.32 0.33 -0.92 0.00 0.00 0.00 179.25 178.34 3gux h TYR 50 N 0.22 0.59 -0.52 0.00 5.03 -0.97 -1.69 116.97 119.62 3gux h TYR 50 Ca 0.18 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 3gux h TYR 50 Cb 0.21 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 3gux h TYR 50 CO -0.19 0.22 0.07 1.96 -1.32 0.00 0.00 178.16 178.91 3gux h GLN 51 N 0.57 0.84 -0.06 1.82 1.08 -0.81 -1.47 115.11 117.07 3gux h GLN 51 Ca 0.32 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 3gux h GLN 51 Cb 0.32 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3gux h GLN 51 CO -0.25 0.79 -0.18 1.88 -0.95 0.00 0.00 178.83 180.12 3gux h TYR 52 N 0.79 0.11 -0.15 2.96 0.05 -0.64 -0.28 116.97 119.81 3gux h TYR 52 Ca 0.16 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.77 3gux h TYR 52 Cb 0.38 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.09 3gux h TYR 52 CO 0.02 0.28 -0.54 0.82 -1.05 0.00 0.00 178.16 177.69 3gux h ILE 53 N 0.10 1.33 -0.86 -2.88 2.04 -0.74 -2.72 117.51 113.77 3gux h ILE 53 Ca 0.02 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 3gux h ILE 53 Cb 0.38 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3gux h ILE 53 CO 0.03 0.56 0.44 -0.61 0.00 0.00 0.00 178.15 178.56 3gux h GLN 54 N 0.30 1.22 -0.27 2.37 5.75 -0.78 -1.30 115.11 122.41 3gux h GLN 54 Ca -0.02 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3gux h GLN 54 Cb 1.17 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 3gux h GLN 54 CO 0.11 0.91 0.12 0.28 -2.65 0.00 0.00 178.83 177.61 3gux h VAL 55 N 1.21 1.16 -0.37 2.39 2.07 -0.98 -0.06 116.25 121.67 3gux h VAL 55 Ca 0.30 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3gux h VAL 55 Cb 0.07 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3gux h VAL 55 CO -0.04 0.16 -0.01 1.56 0.02 0.00 0.00 177.57 179.27 3gux h GLN 56 N 0.29 0.09 -0.11 1.57 4.20 -1.29 -2.52 115.11 117.34 3gux h GLN 56 Ca 0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3gux h GLN 56 Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3gux h GLN 56 CO -0.01 0.06 -0.13 0.00 -0.67 0.00 0.00 178.83 178.08 3gux h ALA 57 N 1.33 1.58 0.00 3.87 0.00 -0.95 -2.25 119.26 122.84 3gux h ALA 57 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gux h ALA 57 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gux h ALA 57 CO -0.31 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 3gux h ASP 58 N 0.17 0.00 0.82 0.00 3.32 -0.56 -1.90 116.42 118.27 3gux h ASP 58 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gux h ASP 58 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3gux h ASP 58 CO 0.02 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 3gux n PHE 59 N -2.31 0.40 0.00 4.55 3.72 -0.85 -5.04 117.46 117.93 3gux n PHE 59 Ca 0.02 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3gux n PHE 59 Cb 0.22 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 3gux n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gux n GLY 60 N 0.49 -0.47 3.67 1.37 0.00 -0.72 -4.56 105.19 104.98 3gux n GLY 60 Ca 0.04 -1.76 -0.46 0.00 0.00 0.00 0.00 46.02 43.84 3gux n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gux n PRO 61 N -0.49 2.18 -1.64 1.61 -0.02 -1.26 -4.80 135.00 130.58 3gux n PRO 61 Ca 0.00 0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 3gux n PRO 61 Cb 0.00 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 30.89 3gux n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gux n ARG 62 N 3.88 3.90 -2.48 -0.52 3.00 -1.26 -4.45 116.66 118.73 3gux n ARG 62 Ca 0.18 -2.73 -0.41 0.00 -0.01 0.00 0.00 57.85 54.88 3gux n ARG 62 Cb 0.29 -2.81 -0.04 0.00 0.00 0.00 0.00 32.46 29.90 3gux n ARG 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3gux s VAL 63 N 1.10 3.58 0.66 1.55 1.01 -1.26 -1.04 120.40 126.00 3gux s VAL 63 Ca 0.60 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.93 3gux s VAL 63 Cb 0.17 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3gux s VAL 63 CO -0.07 0.33 0.82 -2.65 0.00 0.00 0.00 175.10 173.52 3gux n PRO 64 N 1.58 0.60 -2.00 2.72 -0.02 -1.26 -2.74 135.00 133.88 3gux n PRO 64 Ca 0.00 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 3gux n PRO 64 Cb 0.45 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 3gux n PRO 64 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gux n ASN 65 N -0.78 -5.73 -4.56 2.55 3.02 -1.26 -5.03 115.26 103.46 3gux n ASN 65 Ca 0.13 0.25 -0.24 0.00 -0.03 0.00 0.00 54.58 54.69 3gux n ASN 65 Cb 0.49 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.66 3gux n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gux s THR 66 N -2.91 3.02 0.41 3.41 -4.23 -1.11 -5.04 115.64 109.19 3gux s THR 66 Ca 0.00 -2.09 0.10 0.00 -1.18 0.00 0.00 61.69 58.52 3gux s THR 66 Cb 0.00 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.43 3gux s THR 66 CO 0.00 -0.36 1.96 0.06 -0.54 0.00 0.00 174.62 175.75 3gux h GLN 67 N 2.16 0.22 -0.42 3.99 3.07 -1.96 -1.78 115.11 120.39 3gux h GLN 67 Ca -0.43 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.27 3gux h GLN 67 Cb 1.25 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.75 3gux h GLN 67 CO 0.59 0.31 0.25 0.00 0.09 0.00 0.00 178.83 180.08 3gux h ALA 68 N 1.71 0.54 -0.16 0.06 0.00 -1.85 -0.81 119.26 118.75 3gux h ALA 68 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gux h ALA 68 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gux h ALA 68 CO 0.01 0.03 0.08 1.25 0.00 0.00 0.00 179.25 180.63 3gux h HIS 69 N 0.56 0.23 -0.20 0.00 -0.00 -1.67 -0.56 115.15 113.51 3gux h HIS 69 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3gux h HIS 69 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 3gux h HIS 69 CO -0.03 0.26 0.11 -0.22 -0.00 0.00 0.00 177.93 178.04 3gux h LYS 70 N 0.14 0.28 -0.55 5.26 3.64 -1.09 -0.96 116.57 123.30 3gux h LYS 70 Ca 0.06 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3gux h LYS 70 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3gux h LYS 70 CO -0.01 0.27 0.05 0.93 -2.27 0.00 0.00 179.45 178.42 3gux h GLU 71 N 0.22 0.93 -0.59 1.90 5.08 -1.13 -2.29 114.58 118.70 3gux h GLU 71 Ca 0.07 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3gux h GLU 71 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3gux h GLU 71 CO -0.01 0.92 0.08 0.00 -1.00 0.00 0.00 179.01 179.01 3gux h GLY 73 N 1.02 1.27 1.33 0.00 0.00 -0.90 -0.38 103.07 105.42 3gux h GLY 73 Ca 0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3gux h GLY 73 CO 0.01 0.39 -0.07 0.83 0.00 0.00 0.00 176.54 177.70 3gux h GLU 74 N 1.12 0.80 -0.20 4.80 5.08 -1.01 -1.31 114.58 123.86 3gux h GLU 74 Ca 0.35 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3gux h GLU 74 Cb -0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3gux h GLU 74 CO -0.11 0.85 0.06 -0.92 -1.00 0.00 0.00 179.01 177.89 3gux h TYR 75 N 0.73 0.33 -0.17 4.33 3.20 -0.40 -2.14 116.97 122.85 3gux h TYR 75 Ca 0.13 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3gux h TYR 75 Cb 0.55 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3gux h TYR 75 CO 0.03 0.42 0.01 -0.07 -1.64 0.00 0.00 178.16 176.91 3gux h LEU 76 N 0.15 0.29 -0.82 2.82 3.38 -0.92 -0.78 115.31 119.43 3gux h LEU 76 Ca 0.06 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3gux h LEU 76 Cb 0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3gux h LEU 76 CO -0.00 0.50 0.54 0.00 0.09 0.00 0.00 178.44 179.57 3gux h ALA 77 N 0.80 1.06 -0.65 1.53 0.00 -1.27 -1.97 119.26 118.76 3gux h ALA 77 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3gux h ALA 77 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3gux h ALA 77 CO 0.01 0.41 0.21 0.78 0.00 0.00 0.00 179.25 180.65 3gux h GLY 78 N 1.08 1.05 0.93 0.00 0.00 -1.25 -1.64 103.07 103.24 3gux h GLY 78 Ca 0.31 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 3gux h GLY 78 CO -0.08 0.55 -0.20 1.46 0.00 0.00 0.00 176.54 178.27 3gux h GLN 79 N 0.95 0.64 -0.66 4.80 1.08 -0.83 -0.38 115.11 120.72 3gux h GLN 79 Ca 0.21 -0.31 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3gux h GLN 79 Cb 0.26 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3gux h GLN 79 CO -0.01 0.90 0.41 -0.07 -0.95 0.00 0.00 178.83 179.11 3gux h LEU 80 N 0.39 0.68 -0.29 1.46 3.38 -1.27 -0.87 115.31 118.78 3gux h LEU 80 Ca 0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gux h LEU 80 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gux h LEU 80 CO 0.05 0.47 0.16 -0.08 0.09 0.00 0.00 178.44 179.14 3gux h GLU 81 N 0.81 0.40 -0.75 1.13 4.81 -1.16 -1.40 114.58 118.42 3gux h GLU 81 Ca 0.26 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.54 3gux h GLU 81 Cb 0.01 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 3gux h GLU 81 CO -0.10 0.34 0.49 -0.22 -0.73 0.00 0.00 179.01 178.79 3gux h LYS 82 N 0.36 0.67 -0.86 1.92 3.64 -0.71 -1.47 116.57 120.12 3gux h LYS 82 Ca 0.10 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3gux h LYS 82 Cb 0.05 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3gux h LYS 82 CO -0.02 0.44 0.08 1.19 -2.27 0.00 0.00 179.45 178.87 3gux n PHE 83 N -4.50 1.05 -0.84 1.91 3.72 -0.36 -4.91 117.46 113.54 3gux n PHE 83 Ca 0.12 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3gux n PHE 83 Cb 0.31 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3gux n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gux n GLY 84 N 0.15 0.85 3.79 1.37 0.00 -0.55 -4.53 105.19 106.27 3gux n GLY 84 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3gux n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gux s ALA 85 N -3.35 2.96 -0.38 4.61 0.00 -0.57 -4.93 121.76 120.10 3gux s ALA 85 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 3gux s ALA 85 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3gux s ALA 85 CO 0.00 -0.30 0.98 0.21 0.00 0.00 0.00 175.76 176.65 3gux s LYS 86 N -2.88 3.85 -0.09 0.00 2.20 -0.52 -4.48 119.74 117.82 3gux s LYS 86 Ca 0.63 0.64 -0.17 0.00 -0.36 0.00 0.00 55.97 56.71 3gux s LYS 86 Cb -0.20 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 3gux s LYS 86 CO 0.24 -1.01 0.45 0.08 -0.36 0.00 0.00 175.35 174.75 3gux s VAL 87 N 3.65 5.14 0.02 4.02 1.01 -1.26 -0.78 120.40 132.20 3gux s VAL 87 Ca 0.41 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3gux s VAL 87 Cb -0.11 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3gux s VAL 87 CO 0.20 0.40 -0.22 -0.31 0.00 0.00 0.00 175.10 175.17 3gux s TYR 88 N 0.15 1.92 -0.05 5.22 1.51 0.62 -4.99 117.35 121.73 3gux s TYR 88 Ca 0.25 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 3gux s TYR 88 Cb -0.15 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 3gux s TYR 88 CO 0.11 0.05 -0.24 -0.80 -1.11 0.00 0.00 175.55 173.57 3gux s ASN 89 N -0.95 2.87 -0.54 2.29 0.01 -1.26 -0.43 114.94 116.93 3gux s ASN 89 Ca 0.08 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3gux s ASN 89 Cb -0.09 -0.71 0.14 0.00 0.41 0.00 0.00 41.25 41.00 3gux s ASN 89 CO 0.01 0.24 0.31 -1.10 -1.51 0.00 0.00 177.10 175.04 3gux s GLN 90 N -0.20 2.16 -0.16 -0.60 -0.21 -0.12 -4.97 119.66 115.56 3gux s GLN 90 Ca -0.01 -2.47 -0.29 0.00 0.02 0.00 0.00 55.36 52.61 3gux s GLN 90 Cb -0.13 -3.48 -0.00 0.00 1.00 0.00 0.00 33.01 30.40 3gux s GLN 90 CO 0.03 -1.12 1.00 0.71 -2.12 0.00 0.00 175.29 173.79 3gux s TYR 91 N -0.01 3.44 -0.03 0.91 2.02 -1.26 -0.98 117.35 121.43 3gux s TYR 91 Ca 0.16 1.50 -0.13 0.00 -0.37 0.00 0.00 57.07 58.23 3gux s TYR 91 Cb -0.23 -3.19 0.02 0.00 -0.40 0.00 0.00 41.96 38.16 3gux s TYR 91 CO -0.02 -0.32 0.28 0.00 -1.57 0.00 0.00 175.55 173.92 3gux s ALA 92 N 2.47 -0.71 -0.49 3.71 0.00 -0.76 -5.00 121.76 120.98 3gux s ALA 92 Ca 0.45 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 3gux s ALA 92 Cb -0.17 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3gux s ALA 92 CO 0.13 -0.23 0.78 -0.51 0.00 0.00 0.00 175.76 175.93 3gux s ASP 93 N -1.04 6.34 -0.17 0.00 1.01 -1.26 -0.74 116.67 120.81 3gux s ASP 93 Ca -0.11 -0.37 -0.03 0.00 0.71 0.00 0.00 52.55 52.75 3gux s ASP 93 Cb -0.05 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3gux s ASP 93 CO 0.03 -0.98 -0.06 -0.76 0.21 0.00 0.00 175.17 173.61 3gux s LEU 94 N 3.29 3.01 -0.31 1.23 1.43 -0.60 -4.90 118.68 121.81 3gux s LEU 94 Ca 0.26 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 3gux s LEU 94 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3gux s LEU 94 CO 0.19 0.11 0.88 -0.63 0.23 0.00 0.00 176.35 177.13 3gux s ILE 95 N 0.70 4.70 1.03 -0.59 1.01 -1.26 -0.71 121.20 126.07 3gux s ILE 95 Ca -0.03 1.34 -0.14 0.00 0.00 0.00 0.00 60.65 61.82 3gux s ILE 95 Cb -0.15 -4.24 0.20 0.00 0.01 0.00 0.00 42.46 38.29 3gux s ILE 95 CO 0.02 -0.34 1.12 0.00 0.00 0.00 0.00 174.94 175.74 3gux s ALA 96 N 3.19 1.10 0.26 9.38 0.00 0.55 -4.92 121.76 131.31 3gux s ALA 96 Ca 0.36 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 3gux s ALA 96 Cb -0.13 -3.02 0.48 0.00 0.00 0.00 0.00 23.12 20.44 3gux s ALA 96 CO 0.14 -2.89 1.79 0.10 0.00 0.00 0.00 175.76 174.89 3gux h TYR 97 N -1.97 0.82 -0.35 0.00 -0.00 -1.88 -2.12 116.97 111.47 3gux h TYR 97 Ca -0.51 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3gux h TYR 97 Cb 1.32 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 3gux h TYR 97 CO -0.38 0.27 0.00 -0.40 -0.00 0.00 0.00 178.16 177.65 3gux n ASP 98 N -4.80 1.87 0.00 0.10 5.75 -1.26 -4.89 116.55 113.32 3gux n ASP 98 Ca 0.16 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3gux n ASP 98 Cb 0.36 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3gux n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gux n GLY 99 N 1.05 0.24 3.71 6.12 0.00 -0.80 -5.04 105.19 110.47 3gux n GLY 99 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3gux n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gux s THR 100 N -2.08 2.80 -0.61 2.61 2.01 -1.26 -4.71 115.64 114.41 3gux s THR 100 Ca 0.00 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 3gux s THR 100 Cb 0.00 -3.34 0.05 0.00 0.01 0.00 0.00 72.50 69.22 3gux s THR 100 CO 0.00 0.03 0.95 -0.63 -0.69 0.00 0.00 174.62 174.29 3gux s ILE 101 N 1.41 4.35 -0.25 1.82 1.01 -1.26 -0.33 121.20 127.95 3gux s ILE 101 Ca 0.70 -0.04 -0.28 0.00 0.00 0.00 0.00 60.65 61.03 3gux s ILE 101 Cb -0.42 -4.61 0.01 0.00 0.01 0.00 0.00 42.46 37.45 3gux s ILE 101 CO 0.31 -1.29 1.02 -0.76 0.00 0.00 0.00 174.94 174.22 3gux s LEU 102 N 4.03 4.07 -0.94 2.97 1.43 0.11 -4.88 118.68 125.46 3gux s LEU 102 Ca 0.26 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 54.38 3gux s LEU 102 Cb -0.15 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.62 3gux s LEU 102 CO 0.15 -0.69 1.43 -0.54 0.23 0.00 0.00 176.35 176.92 3gux s LYS 103 N 3.24 3.44 0.25 1.70 -0.14 -1.26 -1.56 119.74 125.42 3gux s LYS 103 Ca 0.43 -0.85 0.05 0.00 -1.36 0.00 0.00 55.97 54.24 3gux s LYS 103 Cb -0.14 -5.04 -0.03 0.00 -1.68 0.00 0.00 37.83 30.94 3gux s LYS 103 CO 0.08 -2.24 0.38 -1.12 -0.76 0.00 0.00 175.35 171.69 3gux s SER 104 N 4.80 6.29 -0.28 2.83 0.01 0.08 -4.69 113.70 122.75 3gux s SER 104 Ca 0.44 0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 3gux s SER 104 Cb -0.02 -1.83 0.14 0.00 0.21 0.00 0.00 66.02 64.51 3gux s SER 104 CO -0.03 -0.11 0.33 -0.60 0.41 0.00 0.00 173.24 173.24 3gux s ARG 105 N -4.02 0.34 0.26 12.44 3.52 -1.25 -1.82 118.95 128.43 3gux s ARG 105 Ca 0.35 0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 55.78 3gux s ARG 105 Cb -0.09 -0.58 -0.09 0.00 -1.56 0.00 0.00 34.95 32.63 3gux s ARG 105 CO 0.30 -0.94 0.83 -0.80 -0.81 0.00 0.00 175.30 173.88 3gux s ASN 106 N 2.44 7.22 -0.10 -2.12 0.01 -0.16 -4.27 114.94 117.97 3gux s ASN 106 Ca 0.10 1.63 0.02 0.00 -0.71 0.00 0.00 52.86 53.90 3gux s ASN 106 Cb -0.14 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.04 3gux s ASN 106 CO -0.28 0.00 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.55 3gux s ILE 107 N -1.53 1.37 -0.06 0.60 1.01 -0.72 -0.94 121.20 120.93 3gux s ILE 107 Ca 0.46 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3gux s ILE 107 Cb -0.18 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 3gux s ILE 107 CO 0.23 0.41 -0.20 -0.63 0.00 0.00 0.00 174.94 174.76 3gux s ILE 108 N 0.94 1.66 -0.20 2.92 1.09 0.42 -0.07 121.20 127.97 3gux s ILE 108 Ca -0.08 -0.83 0.01 0.00 -1.10 0.00 0.00 60.65 58.65 3gux s ILE 108 Cb -0.15 -1.43 0.03 0.00 -1.06 0.00 0.00 42.46 39.85 3gux s ILE 108 CO -0.00 0.47 -0.17 -0.83 -0.10 0.00 0.00 174.94 174.31 3gux s GLY 109 N 0.14 1.41 -0.11 6.18 0.00 0.74 -0.27 107.32 115.41 3gux s GLY 109 Ca -0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 3gux s GLY 109 CO 0.04 0.41 0.00 0.00 0.00 0.00 0.00 173.10 173.56 3gux s ALA 110 N 1.28 3.24 -0.06 3.20 0.00 0.04 -0.80 121.76 128.66 3gux s ALA 110 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3gux s ALA 110 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 3gux s ALA 110 CO -0.11 0.47 -0.15 0.71 0.00 0.00 0.00 175.76 176.68 3gux s TYR 111 N -0.49 2.70 -1.05 0.00 2.02 0.37 -1.44 117.35 119.47 3gux s TYR 111 Ca 0.09 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 3gux s TYR 111 Cb -0.12 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3gux s TYR 111 CO 0.02 0.13 0.79 1.63 -1.57 0.00 0.00 175.55 176.55 3gux n LYS 112 N 2.47 -1.43 0.33 -0.62 5.02 -1.26 -2.40 118.16 120.28 3gux n LYS 112 Ca -0.17 0.67 0.22 0.00 -2.02 0.00 0.00 58.31 57.01 3gux n LYS 112 Cb 0.52 -4.47 1.18 0.00 -0.02 0.00 0.00 35.03 32.24 3gux n LYS 112 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3gux h PRO 113 N -1.35 0.00 -0.00 1.97 0.11 -1.95 -0.79 132.00 129.99 3gux h PRO 113 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3gux h PRO 113 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gux h PRO 113 CO 0.44 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.53 3gux n GLU 114 N -3.14 0.07 -2.48 1.05 1.02 -1.26 -4.88 120.64 111.02 3gux n GLU 114 Ca -0.03 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 3gux n GLU 114 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 3gux n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3gux s SER 115 N -2.94 7.12 0.21 1.62 0.15 -0.30 -4.92 113.70 114.64 3gux s SER 115 Ca 0.15 1.90 0.26 0.00 0.70 0.00 0.00 55.95 58.96 3gux s SER 115 Cb 0.19 -2.57 0.74 0.00 -1.71 0.00 0.00 66.02 62.66 3gux s SER 115 CO 0.55 -0.46 1.72 0.11 1.20 0.00 0.00 173.24 176.36 3gux h LYS 116 N 6.97 0.00 -4.74 5.44 6.56 -1.89 -3.43 116.57 125.48 3gux h LYS 116 Ca -0.40 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.52 3gux h LYS 116 Cb 1.20 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.67 3gux h LYS 116 CO 0.82 0.00 -0.44 0.15 -2.06 0.00 0.00 179.45 177.91 3gux s LYS 117 N -3.11 3.48 0.07 3.15 1.02 -1.26 -4.90 119.74 118.18 3gux s LYS 117 Ca 0.10 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3gux s LYS 117 Cb 0.12 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 3gux s LYS 117 CO 0.61 -0.48 -0.04 1.03 -0.92 0.00 0.00 175.35 175.55 3gux s ARG 118 N 1.77 0.67 -0.09 1.68 0.52 -1.26 -1.16 118.95 121.08 3gux s ARG 118 Ca 0.07 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.09 3gux s ARG 118 Cb -0.17 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.35 3gux s ARG 118 CO 0.11 -0.07 -0.19 0.42 0.02 0.00 0.00 175.30 175.59 3gux s ILE 119 N -3.64 1.66 -0.11 1.52 -1.09 -0.48 -0.80 121.20 118.26 3gux s ILE 119 Ca 0.07 -0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 57.54 3gux s ILE 119 Cb 0.06 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 3gux s ILE 119 CO -0.07 0.47 0.46 -0.22 -1.23 0.00 0.00 174.94 174.34 3gux s LEU 120 N 0.56 4.28 -0.08 2.97 2.96 -0.64 -1.31 118.68 127.43 3gux s LEU 120 Ca -0.15 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 3gux s LEU 120 Cb -0.17 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 43.86 3gux s LEU 120 CO 0.05 0.03 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.14 3gux s LEU 121 N 0.51 1.96 0.18 -0.68 1.43 0.89 -0.78 118.68 122.20 3gux s LEU 121 Ca 0.25 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3gux s LEU 121 Cb -0.15 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3gux s LEU 121 CO 0.10 0.14 0.29 0.00 0.23 0.00 0.00 176.35 177.11 3gux s ALA 123 N -3.99 -1.87 0.17 0.00 0.00 -0.78 -1.27 121.76 114.02 3gux s ALA 123 Ca 0.19 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 3gux s ALA 123 Cb 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 3gux s ALA 123 CO 0.02 -0.45 0.48 -3.38 0.00 0.00 0.00 175.76 172.42 3gux s HIS 124 N -1.84 3.48 -0.36 0.00 -3.43 -1.26 -0.33 115.29 111.55 3gux s HIS 124 Ca -0.01 0.79 0.05 0.00 -0.80 0.00 0.00 55.06 55.10 3gux s HIS 124 Cb -0.01 -2.18 -0.03 0.00 -1.43 0.00 0.00 32.58 28.93 3gux s HIS 124 CO -0.01 0.37 0.33 -2.67 -2.00 0.00 0.00 174.74 170.76 3gux n TRP 125 N 0.20 0.00 -2.12 0.38 4.27 -0.13 -4.42 117.44 115.62 3gux n TRP 125 Ca -0.02 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.31 3gux n TRP 125 Cb 0.52 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.53 3gux n TRP 125 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 3gux s ASP 126 N -1.27 5.05 0.10 -0.67 -4.77 -1.26 -4.73 116.67 109.13 3gux s ASP 126 Ca 0.03 0.71 0.09 0.00 -3.30 0.00 0.00 52.55 50.08 3gux s ASP 126 Cb 0.04 -1.44 -0.04 0.00 -1.09 0.00 0.00 42.92 40.40 3gux s ASP 126 CO 0.18 -1.49 -0.18 -0.44 0.70 0.00 0.00 175.17 173.94 3gux s SER 127 N -4.45 3.86 0.26 2.11 0.01 -0.21 -4.63 113.70 110.65 3gux s SER 127 Ca 0.59 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 3gux s SER 127 Cb -0.11 -0.56 -0.10 0.00 0.21 0.00 0.00 66.02 65.47 3gux s SER 127 CO 0.47 0.19 1.42 -0.60 0.41 0.00 0.00 173.24 175.14 3gux s ARG 128 N -2.00 4.27 0.00 12.44 6.06 -1.26 -4.21 118.95 134.26 3gux s ARG 128 Ca 0.17 2.29 0.00 0.00 -2.50 0.00 0.00 55.73 55.70 3gux s ARG 128 Cb -0.11 -3.10 0.00 0.00 0.06 0.00 0.00 34.95 31.80 3gux s ARG 128 CO 0.09 -0.39 1.34 -0.35 -2.50 0.00 0.00 175.30 173.49 3gux n PRO 129 N 2.11 0.87 0.00 5.12 -0.04 -1.26 -4.87 135.00 136.93 3gux n PRO 129 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3gux n PRO 129 Cb 0.40 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 3gux n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gux n GLY 150 N 1.10 2.60 0.36 0.55 0.00 -1.26 -5.17 105.19 103.38 3gux n GLY 150 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.51 3gux n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gux h ALA 151 N 0.00 1.49 -0.23 4.61 0.00 -1.85 -2.61 119.26 120.68 3gux h ALA 151 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gux h ALA 151 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gux h ALA 151 CO 0.00 0.39 0.10 0.66 0.00 0.00 0.00 179.25 180.40 3gux h SER 152 N 1.05 0.31 -0.49 0.00 4.64 -1.94 0.26 113.55 117.37 3gux h SER 152 Ca 0.37 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 3gux h SER 152 Cb 0.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3gux h SER 152 CO -0.12 0.37 0.21 1.23 -0.87 0.00 0.00 176.83 177.65 3gux h GLY 153 N 0.22 0.78 0.98 -0.77 0.00 -1.76 -1.71 103.07 100.82 3gux h GLY 153 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3gux h GLY 153 CO -0.01 0.39 0.22 -2.08 0.00 0.00 0.00 176.54 175.06 3gux h VAL 154 N 0.65 1.12 -0.82 4.60 2.07 -1.25 -1.63 116.25 120.99 3gux h VAL 154 Ca 0.17 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3gux h VAL 154 Cb 0.17 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3gux h VAL 154 CO -0.02 0.12 0.47 1.23 0.02 0.00 0.00 177.57 179.40 3gux h GLY 155 N 0.48 1.21 1.01 2.17 0.00 -0.67 0.21 103.07 107.48 3gux h GLY 155 Ca 0.13 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3gux h GLY 155 CO -0.02 0.51 0.46 -2.08 0.00 0.00 0.00 176.54 175.41 3gux h VAL 156 N 1.14 1.21 -0.43 4.60 2.07 -1.09 -2.41 116.25 121.34 3gux h VAL 156 Ca 0.29 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3gux h VAL 156 Cb -0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3gux h VAL 156 CO -0.05 0.21 -0.09 -0.07 0.02 0.00 0.00 177.57 177.59 3gux h LEU 157 N 1.02 0.82 -0.73 2.57 3.38 -0.76 -0.78 115.31 120.83 3gux h LEU 157 Ca 0.27 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gux h LEU 157 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3gux h LEU 157 CO -0.05 0.99 0.45 -0.07 0.09 0.00 0.00 178.44 179.85 3gux h LEU 158 N 0.64 0.75 -0.85 1.67 3.38 -0.88 0.11 115.31 120.13 3gux h LEU 158 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3gux h LEU 158 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3gux h LEU 158 CO 0.04 0.51 -0.02 -0.08 0.09 0.00 0.00 178.44 178.99 3gux h GLU 159 N 0.89 0.84 -0.64 1.13 4.57 -1.13 -1.26 114.58 118.97 3gux h GLU 159 Ca 0.29 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3gux h GLU 159 Cb 0.03 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3gux h GLU 159 CO -0.11 0.85 0.36 0.82 -1.18 0.00 0.00 179.01 179.75 3gux h ILE 160 N 0.78 1.20 -0.75 2.32 2.04 -0.72 -1.34 117.51 121.03 3gux h ILE 160 Ca 0.15 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.59 3gux h ILE 160 Cb 0.49 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3gux h ILE 160 CO 0.02 0.21 0.42 0.00 0.00 0.00 0.00 178.15 178.81 3gux h ALA 161 N 1.18 1.02 -0.78 1.87 0.00 -0.43 -0.05 119.26 122.07 3gux h ALA 161 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gux h ALA 161 Cb 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3gux h ALA 161 CO -0.04 0.09 0.50 -0.09 0.00 0.00 0.00 179.25 179.72 3gux h ARG 162 N 0.76 1.03 -0.27 0.00 2.43 -0.68 -2.12 114.38 115.52 3gux h ARG 162 Ca 0.34 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.26 3gux h ARG 162 Cb 0.24 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3gux h ARG 162 CO -0.20 0.69 -0.56 1.96 -1.51 0.00 0.00 179.97 180.35 3gux h GLN 163 N 1.06 0.83 -0.91 0.20 1.08 -0.45 -3.12 115.11 113.80 3gux h GLN 163 Ca 0.28 -0.54 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 3gux h GLN 163 Cb -0.10 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 3gux h GLN 163 CO -0.06 1.17 0.60 0.82 -0.95 0.00 0.00 178.83 180.41 3gux h ILE 164 N 0.63 1.19 -0.54 2.54 1.08 -0.79 -0.54 117.51 121.08 3gux h ILE 164 Ca 0.01 -0.41 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 3gux h ILE 164 Cb 1.17 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 3gux h ILE 164 CO 0.12 0.22 0.02 -0.61 -0.69 0.00 0.00 178.15 177.21 3gux h GLN 165 N 1.18 0.91 -0.25 2.37 4.15 -1.38 -2.91 115.11 119.19 3gux h GLN 165 Ca 0.35 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.35 3gux h GLN 165 Cb -0.05 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3gux h GLN 165 CO -0.09 0.89 -0.48 0.87 -1.93 0.00 0.00 178.83 178.08 3gux h LYS 166 N 0.84 0.76 -2.70 1.69 1.57 -1.24 -3.43 116.57 114.07 3gux h LYS 166 Ca 0.16 -0.49 -0.42 0.00 -1.87 0.00 0.00 60.65 58.03 3gux h LYS 166 Cb 0.47 0.06 -0.38 0.00 0.08 0.00 0.00 32.23 32.46 3gux h LYS 166 CO 0.02 1.12 -0.71 -2.00 -0.57 0.00 0.00 179.45 177.31 3gux s GLU 167 N -4.09 0.17 0.03 3.15 2.12 -0.31 -5.13 118.70 114.65 3gux s GLU 167 Ca -0.12 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 3gux s GLU 167 Cb 0.09 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 3gux s GLU 167 CO 0.86 -0.83 0.97 -0.65 -0.54 0.00 0.00 175.26 175.08 3gux s GLN 168 N 2.21 4.60 0.91 4.30 -0.21 -1.10 -4.29 119.66 126.08 3gux s GLN 168 Ca 0.06 1.43 -0.11 0.00 0.02 0.00 0.00 55.36 56.76 3gux s GLN 168 Cb -0.16 -3.43 0.14 0.00 1.00 0.00 0.00 33.01 30.56 3gux s GLN 168 CO -0.22 0.03 1.09 -2.14 -2.12 0.00 0.00 175.29 171.93 3gux s PRO 169 N 0.70 1.15 0.14 2.91 0.02 -1.26 -4.94 135.00 133.72 3gux s PRO 169 Ca 0.50 0.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.33 3gux s PRO 169 Cb -0.22 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3gux s PRO 169 CO 0.29 -2.36 1.78 0.00 -0.33 0.00 0.00 177.00 176.37 3gux h ALA 170 N -1.64 0.44 -2.32 -1.55 0.00 -1.83 -3.44 119.26 108.92 3gux h ALA 170 Ca -0.49 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 53.87 3gux h ALA 170 Cb 1.28 -0.14 0.05 0.00 0.00 0.00 0.00 17.79 18.98 3gux h ALA 170 CO 0.52 -0.07 0.40 -0.51 0.00 0.00 0.00 179.25 179.59 3gux s LEU 171 N -10.09 3.32 0.57 0.00 1.02 -1.26 -5.04 118.68 107.20 3gux s LEU 171 Ca -0.13 1.50 -0.20 0.00 0.02 0.00 0.00 54.13 55.32 3gux s LEU 171 Cb 0.10 -4.48 -0.04 0.00 0.02 0.00 0.00 46.19 41.78 3gux s LEU 171 CO 0.72 -0.89 1.24 -0.83 0.02 0.00 0.00 176.35 176.61 3gux s GLY 172 N -3.81 2.79 -0.05 -3.19 0.00 -0.31 -4.90 107.32 97.85 3gux s GLY 172 Ca 0.57 1.09 0.02 0.00 0.00 0.00 0.00 44.72 46.39 3gux s GLY 172 CO 0.48 1.52 -0.09 -0.42 0.00 0.00 0.00 173.10 174.59 3gux s ILE 173 N -1.51 0.86 -0.11 0.90 -1.09 -1.01 -1.39 121.20 117.86 3gux s ILE 173 Ca 0.75 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.84 3gux s ILE 173 Cb -0.33 -0.81 -0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3gux s ILE 173 CO 0.37 0.29 -0.10 -1.81 -1.23 0.00 0.00 174.94 172.45 3gux s ASP 174 N 0.66 4.29 -0.31 3.58 1.01 -0.43 -0.48 116.67 125.00 3gux s ASP 174 Ca -0.12 -0.21 -0.07 0.00 0.71 0.00 0.00 52.55 52.86 3gux s ASP 174 Cb -0.14 -1.43 0.01 0.00 1.01 0.00 0.00 42.92 42.37 3gux s ASP 174 CO 0.02 0.23 0.10 -0.63 0.21 0.00 0.00 175.17 175.10 3gux s ILE 175 N -0.04 4.05 -0.18 0.77 1.01 0.02 -0.07 121.20 126.75 3gux s ILE 175 Ca -0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3gux s ILE 175 Cb -0.14 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 3gux s ILE 175 CO 0.03 0.01 -0.12 -0.69 0.00 0.00 0.00 174.94 174.17 3gux s VAL 176 N 1.50 2.81 -0.42 2.92 1.01 -0.24 -0.18 120.40 127.81 3gux s VAL 176 Ca 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 3gux s VAL 176 Cb -0.18 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.04 3gux s VAL 176 CO 0.03 0.49 0.27 -0.36 0.00 0.00 0.00 175.10 175.53 3gux s PHE 177 N 1.13 3.28 0.18 5.22 0.08 0.91 -1.86 117.98 126.92 3gux s PHE 177 Ca 0.01 -1.19 -0.29 0.00 0.12 0.00 0.00 56.93 55.57 3gux s PHE 177 Cb -0.14 -2.82 -0.08 0.00 -0.57 0.00 0.00 43.02 39.41 3gux s PHE 177 CO -0.04 -0.77 0.92 -0.06 -0.10 0.00 0.00 175.22 175.17 3gux s PHE 178 N 1.52 3.91 0.53 0.36 0.08 0.55 -1.76 117.98 123.17 3gux s PHE 178 Ca 0.03 1.82 0.07 0.00 0.12 0.00 0.00 56.93 58.97 3gux s PHE 178 Cb -0.22 -2.97 0.06 0.00 -0.57 0.00 0.00 43.02 39.32 3gux s PHE 178 CO 0.05 0.38 0.73 0.34 -0.10 0.00 0.00 175.22 176.62 3gux s ASP 179 N -0.75 5.24 -1.36 1.36 2.15 -1.26 -0.95 116.67 121.10 3gux s ASP 179 Ca 0.42 -0.56 -0.03 0.00 0.43 0.00 0.00 52.55 52.82 3gux s ASP 179 Cb -0.24 -0.20 0.02 0.00 -0.30 0.00 0.00 42.92 42.19 3gux s ASP 179 CO 0.30 -1.17 0.73 -1.20 -0.17 0.00 0.00 175.17 173.66 3gux n SER 180 N -2.17 -1.78 -0.09 -0.34 7.64 -1.26 -2.18 113.62 113.43 3gux n SER 180 Ca 0.12 -0.83 -0.13 0.00 1.01 0.00 0.00 58.87 59.04 3gux n SER 180 Cb 0.60 -3.93 -0.08 0.00 -1.01 0.00 0.00 64.21 59.80 3gux n SER 180 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3gux n GLU 181 N -4.37 0.43 -0.83 1.43 0.00 -1.26 -0.95 120.64 115.09 3gux n GLU 181 Ca -0.23 0.11 -0.02 0.00 0.00 0.00 0.00 57.16 57.02 3gux n GLU 181 Cb 0.65 -1.31 0.27 0.00 0.00 0.00 0.00 31.44 31.05 3gux n GLU 181 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3gux n ASP 182 N -3.15 4.14 -4.87 4.31 -0.08 -1.26 -2.31 116.55 113.33 3gux n ASP 182 Ca -0.32 -3.27 -0.37 0.00 -1.51 0.00 0.00 54.79 49.32 3gux n ASP 182 Cb 0.81 -0.67 -0.06 0.00 2.34 0.00 0.00 41.12 43.54 3gux n ASP 182 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3gux s TYR 183 N -3.00 3.64 0.00 -0.67 6.14 -1.26 -4.40 117.35 117.79 3gux s TYR 183 Ca 0.50 0.67 0.00 0.00 0.64 0.00 0.00 57.07 58.87 3gux s TYR 183 Cb 0.41 -2.04 0.00 0.00 0.42 0.00 0.00 41.96 40.75 3gux s TYR 183 CO 0.10 0.70 0.00 0.41 0.64 0.00 0.00 175.55 177.40 3gux n GLY 184 N 1.86 1.40 3.36 8.97 0.00 -1.26 -4.26 105.19 115.27 3gux n GLY 184 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3gux n GLY 184 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gux n THR 197 N 0.00 0.00 -2.80 2.61 -1.04 -1.26 -5.09 114.28 106.71 3gux n THR 197 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 3gux n THR 197 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3gux n THR 197 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3gux s TRP 198 N 0.00 3.52 -1.28 -1.42 0.51 -1.26 -4.57 118.94 114.44 3gux s TRP 198 Ca 0.00 0.87 -0.00 0.00 -2.12 0.00 0.00 56.10 54.85 3gux s TRP 198 Cb 0.00 -2.33 0.00 0.00 -0.81 0.00 0.00 33.47 30.33 3gux s TRP 198 CO 0.00 -0.16 0.80 0.00 -0.51 0.00 0.00 176.95 177.07 3gux h LEU 200 N -1.88 0.78 -0.22 0.00 3.38 -1.28 -2.13 115.31 113.96 3gux h LEU 200 Ca -0.60 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 56.84 3gux h LEU 200 Cb 1.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3gux h LEU 200 CO 0.54 1.26 -0.00 1.23 0.09 0.00 0.00 178.44 181.56 3gux h GLY 201 N 0.84 0.43 1.60 0.83 0.00 -1.42 -0.55 103.07 104.80 3gux h GLY 201 Ca -0.03 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3gux h GLY 201 CO 0.14 0.29 -0.41 1.48 0.00 0.00 0.00 176.54 178.04 3gux h SER 202 N 0.16 0.46 -0.66 0.19 4.64 -1.75 -1.31 113.55 115.30 3gux h SER 202 Ca 0.06 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 3gux h SER 202 Cb 0.41 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3gux h SER 202 CO 0.01 0.83 0.17 1.56 -0.87 0.00 0.00 176.83 178.53 3gux h GLN 203 N 0.36 1.04 0.57 4.77 4.20 -1.30 0.52 115.11 125.28 3gux h GLN 203 Ca 0.03 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 3gux h GLN 203 Cb 0.88 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.53 3gux h GLN 203 CO 0.07 0.93 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.96 3gux h TYR 204 N 0.97 -0.72 0.01 2.96 3.20 -0.78 -2.48 116.97 120.13 3gux h TYR 204 Ca 0.21 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3gux h TYR 204 Cb 0.34 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3gux h TYR 204 CO 0.03 -0.43 -0.18 2.35 -1.64 0.00 0.00 178.16 178.28 3gux h TRP 205 N -0.80 -0.48 -0.86 -3.82 7.01 -1.22 -1.36 115.95 114.42 3gux h TRP 205 Ca -0.08 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.97 3gux h TRP 205 Cb 0.60 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 3gux h TRP 205 CO -0.03 -0.26 0.56 0.00 -2.79 0.00 0.00 178.44 175.92 3gux h ALA 206 N 0.60 1.47 -0.11 2.65 0.00 -0.90 0.10 119.26 123.08 3gux h ALA 206 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3gux h ALA 206 Cb 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gux h ALA 206 CO -0.17 0.44 -0.67 0.07 0.00 0.00 0.00 179.25 178.92 3gux h ARG 207 N 1.06 0.47 -2.36 0.00 -0.00 -1.21 -3.33 114.38 109.00 3gux h ARG 207 Ca 0.34 -0.35 -0.55 0.00 -0.00 0.00 0.00 59.98 59.42 3gux h ARG 207 Cb 0.04 0.06 -0.37 0.00 -0.00 0.00 0.00 29.97 29.70 3gux h ARG 207 CO -0.10 0.98 -0.89 0.95 -0.00 0.00 0.00 179.97 180.90 3gux s THR 208 N -3.75 0.15 1.07 0.08 -4.23 -0.53 -5.07 115.64 103.37 3gux s THR 208 Ca -0.06 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.20 3gux s THR 208 Cb 0.11 -1.10 0.23 0.00 1.34 0.00 0.00 72.50 73.07 3gux s THR 208 CO 0.84 -1.05 1.10 -2.84 -0.54 0.00 0.00 174.62 172.13 3gux s PRO 209 N 0.59 -0.18 0.58 3.99 0.02 0.25 -4.49 135.00 135.76 3gux s PRO 209 Ca 0.26 0.29 0.33 0.00 0.02 0.00 0.00 61.00 61.90 3gux s PRO 209 Cb -0.08 -1.69 1.82 0.00 0.02 0.00 0.00 34.50 34.57 3gux s PRO 209 CO -0.10 -3.09 2.20 1.12 -0.33 0.00 0.00 177.00 176.80 3gux h HIS 210 N -2.15 0.00 -3.67 6.54 2.07 -1.98 -3.42 115.15 112.55 3gux h HIS 210 Ca -0.52 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 56.58 3gux h HIS 210 Cb 1.32 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 31.11 3gux h HIS 210 CO -0.52 0.04 -0.77 0.14 -3.07 0.00 0.00 177.93 173.76 3gux s VAL 211 N -4.29 1.31 0.51 6.12 -7.23 -1.26 -5.08 120.40 110.49 3gux s VAL 211 Ca -0.04 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 3gux s VAL 211 Cb 0.13 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.57 3gux s VAL 211 CO 0.53 -0.36 1.32 -1.10 -0.31 0.00 0.00 175.10 175.17 3gux s GLN 212 N -2.46 3.35 -0.82 4.82 -1.52 -1.26 -3.64 119.66 118.12 3gux s GLN 212 Ca 0.07 2.14 -0.23 0.00 -1.95 0.00 0.00 55.36 55.39 3gux s GLN 212 Cb -0.06 -2.34 0.03 0.00 -0.22 0.00 0.00 33.01 30.42 3gux s GLN 212 CO 0.03 -0.99 0.43 0.27 -0.25 0.00 0.00 175.29 174.78 3gux n ASN 213 N -0.80 -2.59 -4.74 5.90 0.23 -1.26 -4.91 115.26 107.10 3gux n ASN 213 Ca 0.09 -0.88 -0.41 0.00 -0.53 0.00 0.00 54.58 52.85 3gux n ASN 213 Cb 0.45 -1.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.07 3gux n ASN 213 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3gux s TYR 214 N -4.01 3.22 0.01 -2.53 5.04 -1.24 -5.03 117.35 112.80 3gux s TYR 214 Ca 0.32 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 56.06 3gux s TYR 214 Cb -0.18 -3.64 -0.00 0.00 0.35 0.00 0.00 41.96 38.49 3gux s TYR 214 CO 0.65 -2.03 0.13 1.21 -1.34 0.00 0.00 175.55 174.18 3gux s ASN 215 N 0.36 0.05 0.03 4.32 2.47 -1.26 -5.08 114.94 115.83 3gux s ASN 215 Ca 0.57 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.62 3gux s ASN 215 Cb -0.37 0.20 -0.02 0.00 -1.45 0.00 0.00 41.25 39.61 3gux s ASN 215 CO 0.39 -0.38 -0.05 0.00 -3.72 0.00 0.00 177.10 173.33 3gux s ALA 216 N -1.50 0.35 0.21 1.71 0.00 -1.26 -4.63 121.76 116.64 3gux s ALA 216 Ca -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 3gux s ALA 216 Cb -0.07 0.09 0.25 0.00 0.00 0.00 0.00 23.12 23.39 3gux s ALA 216 CO 0.01 -0.08 1.82 -0.09 0.00 0.00 0.00 175.76 177.41 3gux h ARG 217 N 4.63 0.71 -2.32 0.00 2.43 -1.33 -3.46 114.38 115.03 3gux h ARG 217 Ca -0.34 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 58.97 3gux h ARG 217 Cb 1.21 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.52 3gux h ARG 217 CO 0.41 0.47 0.50 1.52 -1.51 0.00 0.00 179.97 181.36 3gux s TYR 218 N -6.09 -0.11 0.14 2.20 -0.85 -1.26 -4.61 117.35 106.77 3gux s TYR 218 Ca -0.13 -0.20 0.09 0.00 -0.52 0.00 0.00 57.07 56.32 3gux s TYR 218 Cb 0.16 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 43.11 3gux s TYR 218 CO 0.76 -0.82 -0.21 0.20 -1.52 0.00 0.00 175.55 173.96 3gux s GLY 219 N -2.97 1.42 -0.12 5.49 0.00 0.25 -1.62 107.32 109.77 3gux s GLY 219 Ca 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3gux s GLY 219 CO 0.02 -1.46 -0.11 -0.42 0.00 0.00 0.00 173.10 171.14 3gux s ILE 220 N -1.58 1.26 -0.18 0.90 1.01 0.04 -1.41 121.20 121.24 3gux s ILE 220 Ca 0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 3gux s ILE 220 Cb -0.08 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3gux s ILE 220 CO 0.06 0.40 0.09 -0.22 0.00 0.00 0.00 174.94 175.28 3gux s LEU 221 N 1.50 3.99 -0.22 2.97 2.96 0.67 -0.46 118.68 130.11 3gux s LEU 221 Ca 0.03 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3gux s LEU 221 Cb -0.13 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3gux s LEU 221 CO -0.08 0.20 0.01 -0.76 -1.32 0.00 0.00 176.35 174.40 3gux s LEU 222 N 0.25 3.22 -0.34 -0.68 1.43 -0.40 -0.10 118.68 122.07 3gux s LEU 222 Ca 0.06 -0.24 0.16 0.00 -1.03 0.00 0.00 54.13 53.07 3gux s LEU 222 Cb -0.12 -1.83 0.42 0.00 0.03 0.00 0.00 46.19 44.69 3gux s LEU 222 CO -0.00 0.02 0.89 -0.67 0.23 0.00 0.00 176.35 176.81 3gux n ASP 223 N 4.52 1.17 0.00 2.29 -0.08 -0.48 -4.49 116.55 119.49 3gux n ASP 223 Ca -0.17 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.30 3gux n ASP 223 Cb 0.51 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.45 3gux n ASP 223 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3gux n VAL 225 N 0.05 0.00 0.48 5.18 0.24 -1.26 -3.61 118.33 119.41 3gux n VAL 225 Ca 0.14 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.49 3gux n VAL 225 Cb 0.77 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 3gux n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gux n GLY 226 N 0.00 -0.06 3.77 7.63 0.00 -1.26 -4.13 105.19 111.14 3gux n GLY 226 Ca 0.00 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3gux n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gux s GLY 227 N -1.66 2.74 0.33 -0.02 0.00 -1.26 -0.18 107.32 107.26 3gux s GLY 227 Ca 0.07 1.51 -0.29 0.00 0.00 0.00 0.00 44.72 46.01 3gux s GLY 227 CO 0.34 2.27 1.45 1.17 0.00 0.00 0.00 173.10 178.33 3gux n LYS 228 N 0.99 2.43 -3.39 2.90 4.81 -1.18 -1.82 118.16 122.91 3gux n LYS 228 Ca 0.03 0.86 -0.23 0.00 -0.87 0.00 0.00 58.31 58.10 3gux n LYS 228 Cb 0.39 -2.55 -0.01 0.00 0.02 0.00 0.00 35.03 32.88 3gux n LYS 228 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gux n ASP 229 N 1.22 -3.27 -4.69 3.14 8.00 -1.26 -4.94 116.55 114.74 3gux n ASP 229 Ca 0.06 -0.39 -0.35 0.00 0.71 0.00 0.00 54.79 54.82 3gux n ASP 229 Cb 0.36 -2.73 0.11 0.00 -0.02 0.00 0.00 41.12 38.84 3gux n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gux n ALA 230 N -3.45 0.25 -3.78 2.24 0.00 -0.76 -5.03 120.51 109.99 3gux n ALA 230 Ca -0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 3gux n ALA 230 Cb 0.53 -2.26 -0.17 0.00 0.00 0.00 0.00 19.45 17.55 3gux n ALA 230 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gux s THR 231 N -1.91 0.52 -0.40 0.00 -4.23 -1.26 -4.52 115.64 103.85 3gux s THR 231 Ca 0.76 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 61.18 3gux s THR 231 Cb -0.32 -0.64 0.05 0.00 1.34 0.00 0.00 72.50 72.93 3gux s THR 231 CO 0.48 0.28 0.24 -0.36 -0.54 0.00 0.00 174.62 174.71 3gux s PHE 232 N 1.79 3.28 0.60 3.99 0.08 0.20 -0.75 117.98 127.17 3gux s PHE 232 Ca 0.03 -1.18 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 3gux s PHE 232 Cb -0.13 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.70 3gux s PHE 232 CO -0.05 -0.74 0.85 0.71 -0.10 0.00 0.00 175.22 175.89 3gux s TYR 233 N 1.51 2.92 -0.37 0.36 1.51 -1.26 -1.00 117.35 121.01 3gux s TYR 233 Ca 0.02 0.18 -0.28 0.00 -1.01 0.00 0.00 57.07 55.98 3gux s TYR 233 Cb -0.21 -2.87 -0.02 0.00 -0.11 0.00 0.00 41.96 38.75 3gux s TYR 233 CO 0.05 -1.01 1.83 0.71 -1.11 0.00 0.00 175.55 176.02 3gux s TYR 234 N -2.91 1.75 0.19 2.71 2.02 0.06 -4.78 117.35 116.39 3gux s TYR 234 Ca 0.57 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.65 3gux s TYR 234 Cb -0.10 -4.10 -0.08 0.00 -0.40 0.00 0.00 41.96 37.28 3gux s TYR 234 CO 0.41 -2.88 1.06 -2.00 -1.57 0.00 0.00 175.55 170.57 3gux s GLU 235 N 5.94 4.64 0.17 -0.62 -6.30 -1.26 -0.73 118.70 120.54 3gux s GLU 235 Ca 0.79 1.67 -0.22 0.00 -2.50 0.00 0.00 54.97 54.71 3gux s GLU 235 Cb -0.21 -3.28 0.09 0.00 0.00 0.00 0.00 34.13 30.72 3gux s GLU 235 CO 0.32 0.16 1.60 0.78 0.02 0.00 0.00 175.26 178.13 3gux h GLY 236 N 4.90 -0.17 1.03 -1.50 0.00 -1.15 0.29 103.07 106.46 3gux h GLY 236 Ca -0.44 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3gux h GLY 236 CO 0.71 -0.21 0.10 -1.82 0.00 0.00 0.00 176.54 175.33 3gux h TYR 237 N -0.21 1.03 -0.90 5.60 3.20 -1.91 -2.57 116.97 121.21 3gux h TYR 237 Ca 0.20 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3gux h TYR 237 Cb 0.54 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3gux h TYR 237 CO -0.57 0.89 0.52 0.77 -1.64 0.00 0.00 178.16 178.14 3gux h SER 238 N 0.88 1.10 0.37 -2.11 0.02 -1.63 -2.18 113.55 109.99 3gux h SER 238 Ca 0.18 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3gux h SER 238 Cb 0.41 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3gux h SER 238 CO 0.01 0.86 -0.25 0.00 -1.14 0.00 0.00 176.83 176.31 3gux h ALA 239 N 1.28 1.40 -0.01 3.77 0.00 -0.59 0.17 119.26 125.28 3gux h ALA 239 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gux h ALA 239 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gux h ALA 239 CO -0.06 0.32 -0.52 2.89 0.00 0.00 0.00 179.25 181.88 3gux n ARG 240 N -3.97 1.26 0.00 0.00 1.85 -1.03 -4.11 116.66 110.66 3gux n ARG 240 Ca -0.02 -0.76 0.00 0.00 -1.00 0.00 0.00 57.85 56.07 3gux n ARG 240 Cb 0.33 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 3gux n ARG 240 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3gux n THR 241 N -0.32 0.00 -2.70 8.89 -2.24 -0.84 -4.86 114.28 112.21 3gux n THR 241 Ca 0.07 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3gux n THR 241 Cb 0.40 0.41 0.06 0.00 -2.10 0.00 0.00 70.33 69.10 3gux n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gux n ALA 242 N -1.21 2.70 -0.17 6.98 0.00 0.58 -4.76 120.51 124.63 3gux n ALA 242 Ca 0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 53.44 50.91 3gux n ALA 242 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.52 3gux n ALA 242 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3gux h ARG 243 N 2.52 0.78 -0.42 0.00 2.43 -1.68 -2.97 114.38 115.04 3gux h ARG 243 Ca -0.18 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 3gux h ARG 243 Cb 1.23 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3gux h ARG 243 CO 0.25 0.74 0.27 1.03 -1.51 0.00 0.00 179.97 180.75 3gux h SER 244 N 0.68 0.46 0.00 -3.80 0.87 -1.91 0.22 113.55 110.06 3gux h SER 244 Ca 0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3gux h SER 244 Cb 0.29 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3gux h SER 244 CO -0.00 0.33 0.00 -0.62 -0.53 0.00 0.00 176.83 176.01 3gux n GLU 245 N -4.81 0.40 0.00 2.24 4.71 -1.12 -1.76 120.64 120.30 3gux n GLU 245 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3gux n GLU 245 Cb 0.04 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3gux n GLU 245 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3gux n LYS 247 N 0.46 0.00 -0.23 3.49 5.02 0.06 -1.76 118.16 125.21 3gux n LYS 247 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3gux n LYS 247 Cb 0.13 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.26 3gux n LYS 247 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3gux h LYS 248 N 0.00 0.61 -0.06 1.97 3.64 -1.59 0.78 116.57 121.91 3gux h LYS 248 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3gux h LYS 248 Cb 0.00 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3gux h LYS 248 CO 0.00 0.40 -0.03 0.82 -2.27 0.00 0.00 179.45 178.37 3gux h ILE 249 N 0.63 1.34 -0.59 2.00 2.04 -1.63 -1.28 117.51 120.03 3gux h ILE 249 Ca 0.32 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3gux h ILE 249 Cb 0.28 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3gux h ILE 249 CO -0.23 0.29 0.27 -0.50 0.00 0.00 0.00 178.15 177.99 3gux h TRP 250 N -0.26 0.83 -0.11 1.37 -0.00 -1.79 -1.83 115.95 114.14 3gux h TRP 250 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3gux h TRP 250 Cb 0.49 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.16 29.38 3gux h TRP 250 CO 0.07 0.61 0.04 -0.22 -0.00 0.00 0.00 178.44 178.95 3gux h LYS 251 N 0.83 0.17 -0.63 0.49 3.64 -0.72 -1.66 116.57 118.70 3gux h LYS 251 Ca 0.20 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3gux h LYS 251 Cb 0.10 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3gux h LYS 251 CO -0.03 0.30 0.35 -0.22 -2.27 0.00 0.00 179.45 177.58 3gux h LYS 252 N 0.02 0.64 -0.73 1.90 1.63 -0.89 -1.60 116.57 117.53 3gux h LYS 252 Ca 0.04 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3gux h LYS 252 Cb 0.19 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3gux h LYS 252 CO -0.00 0.42 0.47 0.00 -3.45 0.00 0.00 179.45 176.89 3gux h ALA 253 N 1.32 0.95 -0.34 5.00 0.00 -1.07 0.24 119.26 125.35 3gux h ALA 253 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gux h ALA 253 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gux h ALA 253 CO -0.16 0.28 0.14 0.45 0.00 0.00 0.00 179.25 179.95 3gux h HIS 254 N 0.92 0.52 -0.19 0.00 3.86 -0.93 0.20 115.15 119.52 3gux h HIS 254 Ca 0.28 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 3gux h HIS 254 Cb -0.02 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3gux h HIS 254 CO -0.03 0.48 -0.13 0.93 0.86 0.00 0.00 177.93 180.04 3gux h GLU 255 N 0.40 0.31 0.00 2.45 5.08 -0.54 -2.20 114.58 120.08 3gux h GLU 255 Ca 0.11 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gux h GLU 255 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3gux h GLU 255 CO -0.01 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.72 3gux n LEU 256 N -4.25 0.00 0.00 1.33 4.77 0.00 -4.91 117.00 113.94 3gux n LEU 256 Ca -0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3gux n LEU 256 Cb 0.28 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3gux n LEU 256 CO 0.39 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3gux n GLY 257 N 1.39 0.91 1.93 -0.72 0.00 -0.83 -5.00 105.19 102.86 3gux n GLY 257 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3gux n GLY 257 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gux n TYR 258 N -2.07 2.20 -0.28 1.61 4.01 0.64 -4.69 117.16 118.58 3gux n TYR 258 Ca 0.00 -0.87 0.21 0.00 -0.16 0.00 0.00 57.90 57.08 3gux n TYR 258 Cb 0.00 -0.57 0.51 0.00 -0.31 0.00 0.00 39.34 38.97 3gux n TYR 258 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3gux h GLY 259 N 3.64 1.00 1.53 2.72 0.00 -1.79 -0.31 103.07 109.86 3gux h GLY 259 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.25 3gux h GLY 259 CO 0.57 -0.06 0.26 1.70 0.00 0.00 0.00 176.54 179.01 3gux h LYS 260 N 0.40 0.41 0.08 4.80 3.64 -1.94 -2.98 116.57 120.98 3gux h LYS 260 Ca 0.53 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.57 3gux h LYS 260 Cb 1.35 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3gux h LYS 260 CO -0.22 0.27 -1.70 1.88 -2.27 0.00 0.00 179.45 177.41 3gux h TYR 261 N 0.43 0.32 -3.67 1.91 0.05 -1.29 -3.44 116.97 111.27 3gux h TYR 261 Ca 0.16 -0.23 -0.76 0.00 0.05 0.00 0.00 58.73 57.94 3gux h TYR 261 Cb 0.10 -0.01 -0.28 0.00 1.01 0.00 0.00 36.73 37.55 3gux h TYR 261 CO -0.00 1.37 -0.05 -0.06 -1.05 0.00 0.00 178.16 178.37 3gux s PHE 262 N -2.60 3.63 -0.26 4.88 0.40 -1.05 0.63 117.98 123.61 3gux s PHE 262 Ca -0.11 -2.07 -0.20 0.00 -0.60 0.00 0.00 56.93 53.94 3gux s PHE 262 Cb 0.07 -3.67 -0.02 0.00 0.51 0.00 0.00 43.02 39.91 3gux s PHE 262 CO 0.82 -0.96 0.62 0.08 0.70 0.00 0.00 175.22 176.48 3gux s VAL 263 N 0.30 4.98 -0.48 -0.44 1.01 -0.17 -4.76 120.40 120.85 3gux s VAL 263 Ca 0.16 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.15 3gux s VAL 263 Cb -0.15 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.08 3gux s VAL 263 CO -0.06 0.01 3.42 0.29 0.00 0.00 0.00 175.10 178.75 3gux n LYS 264 N 5.73 2.49 -4.21 2.72 5.02 -1.26 -3.54 118.16 125.09 3gux n LYS 264 Ca -0.01 -1.34 -0.12 0.00 -2.02 0.00 0.00 58.31 54.81 3gux n LYS 264 Cb 0.49 -2.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.17 3gux n LYS 264 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gux s GLU 265 N 1.36 0.96 0.04 1.97 2.02 -1.26 -4.95 118.70 118.84 3gux s GLU 265 Ca 0.67 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3gux s GLU 265 Cb 0.28 -0.37 -0.05 0.00 0.10 0.00 0.00 34.13 34.09 3gux s GLU 265 CO -0.02 -0.00 1.19 -0.51 0.02 0.00 0.00 175.26 175.94 3gux s ASP 266 N -3.11 7.08 0.00 -0.19 1.01 -1.26 -0.76 116.67 119.44 3gux s ASP 266 Ca 0.16 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.39 3gux s ASP 266 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3gux s ASP 266 CO -0.01 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.49 3gux n GLY 267 N 3.23 3.23 3.95 0.21 0.00 0.09 -4.83 105.19 111.08 3gux n GLY 267 Ca 0.09 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 3gux n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gux s GLY 268 N 0.00 1.75 -0.12 -0.02 0.00 -1.26 -4.60 107.32 103.06 3gux s GLY 268 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 3gux s GLY 268 CO 0.00 -0.70 -0.10 1.85 0.00 0.00 0.00 173.10 174.14 3gux s GLU 269 N -5.49 3.30 -0.04 2.90 2.12 -1.26 -0.67 118.70 119.56 3gux s GLU 269 Ca 0.68 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 55.40 3gux s GLU 269 Cb -0.06 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.67 3gux s GLU 269 CO 0.48 0.31 -0.06 0.95 -0.54 0.00 0.00 175.26 176.41 3gux s THR 270 N 0.11 0.61 0.08 -1.70 -4.23 -1.26 -4.94 115.64 104.32 3gux s THR 270 Ca -0.04 -0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 59.96 3gux s THR 270 Cb -0.14 -0.60 -0.07 0.00 1.34 0.00 0.00 72.50 73.03 3gux s THR 270 CO 0.04 0.23 1.39 -0.69 -0.54 0.00 0.00 174.62 175.04 3gux s VAL 271 N 0.66 3.45 0.31 2.29 1.01 -1.26 -4.91 120.40 121.95 3gux s VAL 271 Ca -0.09 1.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 3gux s VAL 271 Cb -0.13 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.65 3gux s VAL 271 CO 0.01 0.06 0.77 -0.62 0.00 0.00 0.00 175.10 175.31 3gux s ASP 272 N 1.33 -0.14 0.55 3.32 -1.08 -1.26 -5.06 116.67 114.32 3gux s ASP 272 Ca 0.64 -0.80 0.22 0.00 -0.52 0.00 0.00 52.55 52.09 3gux s ASP 272 Cb -0.35 0.75 1.46 0.00 -1.46 0.00 0.00 42.92 43.32 3gux s ASP 272 CO 0.29 -1.44 2.14 0.44 0.52 0.00 0.00 175.17 177.12 3gux h ASP 273 N 2.00 0.00 0.25 -0.34 3.32 -1.96 -2.52 116.42 117.17 3gux h ASP 273 Ca -0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 3gux h ASP 273 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3gux h ASP 273 CO 0.30 0.00 -0.19 1.12 -1.72 0.00 0.00 179.24 178.75 3gux h HIS 274 N 0.00 0.00 -0.74 4.55 2.07 -1.96 -1.93 115.15 117.15 3gux h HIS 274 Ca 0.05 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.58 3gux h HIS 274 Cb 0.22 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.17 3gux h HIS 274 CO 0.00 0.19 0.49 0.82 -3.07 0.00 0.00 177.93 176.36 3gux h ILE 275 N 0.00 1.18 0.01 6.12 2.04 -1.79 -0.92 117.51 124.15 3gux h ILE 275 Ca -0.00 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.32 3gux h ILE 275 Cb 0.37 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3gux h ILE 275 CO 0.02 0.18 -0.91 1.88 0.00 0.00 0.00 178.15 179.33 3gux h TYR 276 N 0.99 0.08 -0.29 1.37 0.05 -1.54 0.16 116.97 117.80 3gux h TYR 276 Ca 0.27 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 3gux h TYR 276 Cb -0.10 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3gux h TYR 276 CO -0.02 0.93 0.11 0.28 -1.05 0.00 0.00 178.16 178.40 3gux h VAL 277 N 0.02 1.19 0.43 -2.88 2.07 -1.33 0.29 116.25 116.04 3gux h VAL 277 Ca -0.02 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3gux h VAL 277 Cb 1.58 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3gux h VAL 277 CO 0.12 0.20 -0.21 -1.13 0.02 0.00 0.00 177.57 176.58 3gux h ASN 278 N 0.32 -0.49 -0.58 0.57 -1.24 -0.93 -1.93 115.58 111.30 3gux h ASN 278 Ca 0.10 -0.07 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 3gux h ASN 278 Cb 0.21 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 3gux h ASN 278 CO -0.01 -0.07 0.13 0.11 -1.29 0.00 0.00 177.43 176.31 3gux h LYS 279 N -1.06 0.93 0.06 6.67 1.57 -0.73 -0.77 116.57 123.23 3gux h LYS 279 Ca -0.06 -0.23 -0.36 0.00 -1.87 0.00 0.00 60.65 58.13 3gux h LYS 279 Cb 0.53 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3gux h LYS 279 CO 0.10 0.87 -2.16 1.28 -0.57 0.00 0.00 179.45 178.96 3gux n LEU 280 N -4.37 2.29 -0.00 2.94 4.77 0.08 -4.32 117.00 118.39 3gux n LEU 280 Ca 0.03 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 3gux n LEU 280 Cb 0.24 -0.74 0.19 0.00 -2.33 0.00 0.00 43.42 40.78 3gux n LEU 280 CO 0.41 0.79 0.37 0.00 -1.33 0.00 0.00 177.39 177.63 3gux n ALA 281 N -3.01 3.75 -2.91 -1.18 0.00 -0.77 -4.70 120.51 111.69 3gux n ALA 281 Ca -0.35 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 3gux n ALA 281 Cb 1.04 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 19.46 3gux n ALA 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gux n ARG 282 N -1.49 -4.34 -3.91 0.00 3.00 -0.30 -4.97 116.66 104.66 3gux n ARG 282 Ca 0.05 0.89 -0.35 0.00 -0.01 0.00 0.00 57.85 58.43 3gux n ARG 282 Cb 0.33 -5.65 -0.14 0.00 0.00 0.00 0.00 32.46 27.00 3gux n ARG 282 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gux s ILE 283 N -3.14 3.29 0.33 0.55 1.01 -1.12 -5.00 121.20 117.12 3gux s ILE 283 Ca 0.26 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3gux s ILE 283 Cb -0.11 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.73 3gux s ILE 283 CO 0.32 0.40 1.46 -2.84 0.00 0.00 0.00 174.94 174.27 3gux s PRO 284 N 1.46 4.20 -0.07 2.79 0.02 -1.26 -3.03 135.00 139.10 3gux s PRO 284 Ca 0.05 2.44 -0.03 0.00 0.02 0.00 0.00 61.00 63.49 3gux s PRO 284 Cb -0.14 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.39 3gux s PRO 284 CO -0.04 -0.45 0.12 0.00 -0.33 0.00 0.00 177.00 176.31 3gux s VAL 286 N 2.02 5.19 -0.26 0.00 1.01 -0.50 -4.67 120.40 123.20 3gux s VAL 286 Ca 0.01 0.80 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 3gux s VAL 286 Cb -0.12 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3gux s VAL 286 CO -0.05 0.41 0.15 -0.62 0.00 0.00 0.00 175.10 174.99 3gux s ASP 287 N 0.15 5.84 -0.44 3.32 2.15 -1.26 -0.23 116.67 126.19 3gux s ASP 287 Ca 0.22 -0.01 -0.14 0.00 0.43 0.00 0.00 52.55 53.05 3gux s ASP 287 Cb -0.15 -2.07 0.06 0.00 -0.30 0.00 0.00 42.92 40.46 3gux s ASP 287 CO 0.09 -0.00 0.34 -0.63 -0.17 0.00 0.00 175.17 174.79 3gux s ILE 288 N 1.46 5.06 -0.07 4.11 1.01 0.86 -4.62 121.20 129.02 3gux s ILE 288 Ca 0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 3gux s ILE 288 Cb -0.15 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.39 3gux s ILE 288 CO 0.07 -0.47 0.16 -0.51 0.00 0.00 0.00 174.94 174.19 3gux s ILE 289 N 1.62 -0.02 0.33 2.92 2.07 -1.26 -1.39 121.20 125.47 3gux s ILE 289 Ca 0.04 0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 3gux s ILE 289 Cb -0.22 -0.25 -0.11 0.00 0.13 0.00 0.00 42.46 42.01 3gux s ILE 289 CO 0.07 0.03 1.45 0.21 -1.91 0.00 0.00 174.94 174.80 3gux s ASN 290 N 0.62 6.51 -0.11 4.50 2.47 -1.24 -4.32 114.94 123.38 3gux s ASN 290 Ca -0.04 2.88 -0.01 0.00 0.42 0.00 0.00 52.86 56.11 3gux s ASN 290 Cb -0.06 -2.65 0.03 0.00 -1.45 0.00 0.00 41.25 37.12 3gux s ASN 290 CO -0.03 -0.77 -0.07 -0.47 -3.72 0.00 0.00 177.10 172.04 3gux s TYR 291 N -0.73 1.38 0.00 0.43 5.04 0.07 -5.00 117.35 118.55 3gux s TYR 291 Ca 0.55 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 3gux s TYR 291 Cb -0.44 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 40.69 3gux s TYR 291 CO 0.54 -0.49 0.00 -0.40 -1.34 0.00 0.00 175.55 173.86 3gux n ASP 292 N 4.97 0.00 0.00 4.32 5.75 -1.26 -4.51 116.55 125.82 3gux n ASP 292 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 3gux n ASP 292 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3gux n ASP 292 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3gux n ASN 313 N 0.00 0.00 -4.71 -1.12 6.94 -1.26 -5.07 115.26 110.04 3gux n ASN 313 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 3gux n ASN 313 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 3gux n ASN 313 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gux s ILE 314 N -2.00 3.66 -0.11 1.53 -1.09 -1.26 -3.09 121.20 118.84 3gux s ILE 314 Ca 0.00 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.63 3gux s ILE 314 Cb 0.00 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3gux s ILE 314 CO 0.00 0.08 -0.23 -0.62 -1.23 0.00 0.00 174.94 172.94 3gux s ASP 315 N 1.19 3.14 0.41 3.58 -1.08 0.75 -4.89 116.67 119.77 3gux s ASP 315 Ca 0.62 -0.56 0.07 0.00 -0.52 0.00 0.00 52.55 52.16 3gux s ASP 315 Cb -0.33 -1.43 0.86 0.00 -1.46 0.00 0.00 42.92 40.56 3gux s ASP 315 CO 0.29 0.14 2.06 0.03 0.52 0.00 0.00 175.17 178.21 3gux h ARG 316 N 6.90 0.54 -0.14 4.34 3.08 -1.90 -1.77 114.38 125.42 3gux h ARG 316 Ca -0.23 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 3gux h ARG 316 Cb 1.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3gux h ARG 316 CO 0.50 0.36 -0.51 -0.91 -1.07 0.00 0.00 179.97 178.34 3gux h ASN 317 N 0.56 0.42 -0.28 7.04 2.35 -1.95 -1.01 115.58 122.71 3gux h ASN 317 Ca 0.15 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 3gux h ASN 317 Cb -0.06 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3gux h ASN 317 CO -0.03 0.86 -0.09 0.74 -1.65 0.00 0.00 177.43 177.25 3gux h THR 318 N 0.30 1.29 -0.72 2.81 2.02 -1.68 -2.03 112.91 114.90 3gux h THR 318 Ca 0.01 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.10 3gux h THR 318 Cb 1.00 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 3gux h THR 318 CO 0.09 0.36 0.43 -0.07 0.37 0.00 0.00 175.52 176.70 3gux h LEU 319 N 0.30 0.67 0.03 2.58 3.38 -1.23 -1.47 115.31 119.57 3gux h LEU 319 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gux h LEU 319 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gux h LEU 319 CO 0.03 0.45 -0.01 0.50 0.09 0.00 0.00 178.44 179.50 3gux h LYS 320 N 0.81 -0.03 -0.38 1.13 1.63 -1.08 0.20 116.57 118.84 3gux h LYS 320 Ca 0.31 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.18 3gux h LYS 320 Cb 0.12 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 3gux h LYS 320 CO -0.15 -0.02 0.01 0.00 -3.45 0.00 0.00 179.45 175.84 3gux h ALA 321 N 0.93 0.35 -0.13 5.00 0.00 -1.05 0.22 119.26 124.59 3gux h ALA 321 Ca -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gux h ALA 321 Cb 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gux h ALA 321 CO 0.01 -0.39 -0.20 0.28 0.00 0.00 0.00 179.25 178.95 3gux h VAL 322 N 0.11 1.37 -0.46 0.00 2.07 -1.19 -2.37 116.25 115.77 3gux h VAL 322 Ca 0.19 -1.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 3gux h VAL 322 Cb 0.26 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3gux h VAL 322 CO -0.30 0.42 -0.16 1.23 0.02 0.00 0.00 177.57 178.77 3gux h GLY 323 N -0.04 1.01 1.27 2.17 0.00 -0.49 -1.49 103.07 105.50 3gux h GLY 323 Ca 0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 3gux h GLY 323 CO 0.05 0.79 -0.26 -1.61 0.00 0.00 0.00 176.54 175.51 3gux h GLN 324 N 0.77 0.83 -0.43 4.80 5.75 -0.63 -2.96 115.11 123.25 3gux h GLN 324 Ca 0.11 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.24 3gux h GLN 324 Cb 0.73 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 3gux h GLN 324 CO 0.06 1.00 0.23 1.15 -2.65 0.00 0.00 178.83 178.61 3gux h THR 325 N 0.72 1.17 0.00 2.39 2.02 -1.29 0.68 112.91 118.59 3gux h THR 325 Ca 0.09 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3gux h THR 325 Cb 0.80 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3gux h THR 325 CO 0.07 0.18 0.00 0.52 0.37 0.00 0.00 175.52 176.65 3gux n VAL 326 N -4.69 0.08 0.00 3.16 0.31 -0.57 -1.31 118.33 115.31 3gux n VAL 326 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3gux n VAL 326 Cb 0.09 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3gux n VAL 326 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gux n ASP 328 N 0.64 0.00 0.03 4.52 9.92 0.23 -1.31 116.55 130.58 3gux n ASP 328 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 3gux n ASP 328 Cb 0.07 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.46 3gux n ASP 328 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3gux h VAL 329 N 0.00 1.16 -0.02 2.53 2.07 -1.44 -3.06 116.25 117.49 3gux h VAL 329 Ca 0.00 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 3gux h VAL 329 Cb 0.00 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3gux h VAL 329 CO 0.00 0.19 -0.65 0.16 0.02 0.00 0.00 177.57 177.29 3gux h ILE 330 N -0.42 1.44 0.00 4.57 3.07 -1.47 -2.41 117.51 122.30 3gux h ILE 330 Ca -0.01 -2.17 -0.01 0.00 1.55 0.00 0.00 64.86 64.22 3gux h ILE 330 Cb 0.37 2.16 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3gux h ILE 330 CO 0.01 0.63 -0.06 1.88 -1.05 0.00 0.00 178.15 179.56 3gux h TYR 331 N 0.07 0.00 -0.01 0.16 -1.99 -1.81 -2.96 116.97 110.43 3gux h TYR 331 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3gux h TYR 331 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3gux h TYR 331 CO 0.01 0.06 -0.24 0.09 -0.00 0.00 0.00 178.16 178.07 3gux n ASN 332 N -3.16 0.87 -4.75 3.88 3.02 -0.92 -4.68 115.26 109.52 3gux n ASN 332 Ca 0.01 -0.77 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 3gux n ASN 332 Cb 0.37 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 3gux n ASN 332 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gux s GLU 333 N -2.54 4.48 0.00 3.52 0.41 -1.12 -4.99 118.70 118.46 3gux s GLU 333 Ca 0.24 1.95 0.00 0.00 -0.41 0.00 0.00 54.97 56.75 3gux s GLU 333 Cb 0.19 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 3gux s GLU 333 CO 0.52 -0.08 0.29 1.63 -0.49 0.00 0.00 175.26 177.14