#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gul s ASN 2 N 0.00 0.16 0.25 6.12 2.20 -1.26 -5.04 114.94 117.37 3gul s ASN 2 Ca 0.00 -1.18 -0.05 0.00 -0.94 0.00 0.00 52.86 50.69 3gul s ASN 2 Cb 0.00 0.81 0.31 0.00 -2.00 0.00 0.00 41.25 40.37 3gul s ASN 2 CO 0.00 -1.60 1.90 -0.29 -2.94 0.00 0.00 177.10 174.18 3gul h ILE 3 N 2.02 1.18 -0.11 0.54 6.09 -2.01 -0.35 117.51 124.86 3gul h ILE 3 Ca -0.31 -0.43 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 3gul h ILE 3 Cb 1.25 -0.18 -0.00 0.00 0.47 0.00 0.00 36.82 38.35 3gul h ILE 3 CO 0.39 0.23 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.43 3gul h PHE 4 N 1.25 0.23 -0.93 2.19 0.04 -1.98 -0.10 116.94 117.64 3gul h PHE 4 Ca 0.39 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.12 3gul h PHE 4 Cb -0.01 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.03 3gul h PHE 4 CO -0.00 0.48 0.59 0.93 -0.60 0.00 0.00 178.31 179.71 3gul h GLU 5 N -0.08 1.24 -0.10 1.51 5.08 -1.94 0.11 114.58 120.41 3gul h GLU 5 Ca 0.03 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3gul h GLU 5 Cb 0.40 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3gul h GLU 5 CO 0.01 0.84 -0.01 1.98 -1.00 0.00 0.00 179.01 180.83 3gul h MET 6 N 1.27 0.02 -0.02 2.33 4.05 -0.78 -2.19 114.93 119.60 3gul h MET 6 Ca 0.34 -0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.62 3gul h MET 6 Cb -0.10 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3gul h MET 6 CO -0.07 0.01 -0.63 -0.07 0.23 0.00 0.00 176.91 176.38 3gul h LEU 7 N 0.02 0.11 -1.57 3.39 3.38 -0.79 -2.00 115.31 117.84 3gul h LEU 7 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gul h LEU 7 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gul h LEU 7 CO -0.09 0.71 0.08 0.03 0.09 0.00 0.00 178.44 179.27 3gul h ARG 8 N 0.07 0.36 -0.04 1.13 3.08 -0.63 0.90 114.38 119.26 3gul h ARG 8 Ca -0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3gul h ARG 8 Cb 1.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3gul h ARG 8 CO 0.09 0.32 -0.25 0.82 -1.07 0.00 0.00 179.97 179.88 3gul h ILE 9 N 0.36 1.47 -0.11 2.04 2.04 -1.02 -1.53 117.51 120.76 3gul h ILE 9 Ca 0.09 -1.75 -0.16 0.00 1.00 0.00 0.00 64.86 64.04 3gul h ILE 9 Cb 0.11 2.48 0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3gul h ILE 9 CO -0.01 0.49 -0.55 0.44 0.00 0.00 0.00 178.15 178.52 3gul h ASP 10 N -0.33 0.67 0.59 1.72 3.32 -1.24 -3.31 116.42 117.83 3gul h ASP 10 Ca -0.02 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3gul h ASP 10 Cb 0.93 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3gul h ASP 10 CO 0.05 1.21 -1.18 -0.62 -1.72 0.00 0.00 179.24 176.97 3gul n GLU 11 N -4.18 0.48 0.00 3.56 -0.58 0.30 -4.75 120.64 115.47 3gul n GLU 11 Ca -0.08 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3gul n GLU 11 Cb 0.63 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3gul n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gul n GLY 12 N 1.27 2.20 3.21 0.62 0.00 -0.58 -4.44 105.19 107.48 3gul n GLY 12 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 3gul n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gul s LEU 13 N 0.00 0.01 -0.01 0.99 2.96 -1.26 -4.32 118.68 117.06 3gul s LEU 13 Ca 0.00 0.79 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 3gul s LEU 13 Cb 0.00 1.18 -0.01 0.00 0.50 0.00 0.00 46.19 47.85 3gul s LEU 13 CO 0.00 -0.19 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.53 3gul s ARG 14 N 1.43 1.41 0.00 1.98 1.81 -0.47 -5.00 118.95 120.10 3gul s ARG 14 Ca -0.09 -0.65 0.18 0.00 -1.72 0.00 0.00 55.73 53.45 3gul s ARG 14 Cb -0.09 -1.37 0.06 0.00 -0.45 0.00 0.00 34.95 33.10 3gul s ARG 14 CO -0.12 0.37 0.99 1.28 -0.68 0.00 0.00 175.30 177.15 3gul n LEU 15 N 2.57 2.10 -4.22 2.53 4.77 -1.26 0.18 117.00 123.67 3gul n LEU 15 Ca -0.15 -0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 54.80 3gul n LEU 15 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3gul n LEU 15 CO 0.24 0.38 -0.43 -1.59 -1.33 0.00 0.00 177.39 174.66 3gul s LYS 16 N -1.82 0.97 0.22 3.23 -2.85 -1.26 -2.28 119.74 115.95 3gul s LYS 16 Ca 0.18 -1.28 -0.32 0.00 -1.00 0.00 0.00 55.97 53.55 3gul s LYS 16 Cb 0.15 -0.69 -0.13 0.00 -2.06 0.00 0.00 37.83 35.10 3gul s LYS 16 CO 0.35 0.11 1.60 -0.89 0.10 0.00 0.00 175.35 176.62 3gul n ILE 17 N 0.31 0.37 -4.29 3.79 5.41 -1.25 -4.71 119.36 118.99 3gul n ILE 17 Ca -0.14 -0.09 -0.16 0.00 1.00 0.00 0.00 62.75 63.36 3gul n ILE 17 Cb 0.58 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 37.64 3gul n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3gul s TYR 18 N 0.64 1.42 -0.25 1.39 1.13 0.03 -4.93 117.35 116.78 3gul s TYR 18 Ca 0.73 -0.91 -0.22 0.00 -1.41 0.00 0.00 57.07 55.26 3gul s TYR 18 Cb -0.58 -0.80 -0.01 0.00 -1.10 0.00 0.00 41.96 39.47 3gul s TYR 18 CO 0.40 -0.06 0.70 0.15 -2.51 0.00 0.00 175.55 174.24 3gul s LYS 19 N -3.85 4.12 0.23 -3.49 1.02 -1.26 -0.18 119.74 116.33 3gul s LYS 19 Ca 0.25 0.67 -0.04 0.00 0.02 0.00 0.00 55.97 56.88 3gul s LYS 19 Cb 0.05 -3.65 0.06 0.00 -0.52 0.00 0.00 37.83 33.76 3gul s LYS 19 CO 0.06 -0.46 0.21 -0.40 -0.92 0.00 0.00 175.35 173.84 3gul n ASP 20 N 5.83 -1.08 0.05 2.83 5.68 0.13 -4.80 116.55 125.19 3gul n ASP 20 Ca 0.02 -0.67 0.11 0.00 -0.50 0.00 0.00 54.79 53.74 3gul n ASP 20 Cb 0.48 -0.19 0.44 0.00 -1.14 0.00 0.00 41.12 40.71 3gul n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gul n GLU 22 N -1.82 2.12 -0.42 0.00 1.02 -1.26 -4.70 120.64 115.58 3gul n GLU 22 Ca 0.04 -1.66 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 3gul n GLU 22 Cb 0.26 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3gul n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gul n GLY 23 N 1.31 0.73 3.90 0.62 0.00 -0.30 -5.07 105.19 106.39 3gul n GLY 23 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3gul n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gul s TYR 24 N -2.62 3.49 0.14 1.61 2.02 -1.26 -4.67 117.35 116.06 3gul s TYR 24 Ca 0.00 0.78 -0.30 0.00 -0.37 0.00 0.00 57.07 57.18 3gul s TYR 24 Cb 0.00 -2.23 -0.07 0.00 -0.40 0.00 0.00 41.96 39.26 3gul s TYR 24 CO 0.00 -0.00 1.03 0.71 -1.57 0.00 0.00 175.55 175.72 3gul s TYR 25 N -2.32 3.71 0.09 2.71 2.02 -1.23 0.17 117.35 122.50 3gul s TYR 25 Ca 0.47 1.69 -0.14 0.00 -0.37 0.00 0.00 57.07 58.72 3gul s TYR 25 Cb -0.10 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.32 3gul s TYR 25 CO 0.34 -0.20 0.33 0.99 -1.57 0.00 0.00 175.55 175.44 3gul s THR 26 N -0.09 0.09 0.25 -0.71 2.01 0.75 -0.74 115.64 117.20 3gul s THR 26 Ca 0.48 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 3gul s THR 26 Cb -0.26 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.13 3gul s THR 26 CO 0.32 -0.39 0.56 -0.51 -0.69 0.00 0.00 174.62 173.90 3gul s ILE 27 N -3.35 0.00 0.00 1.82 2.07 -0.46 -0.79 121.20 120.50 3gul s ILE 27 Ca 0.00 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.03 3gul s ILE 27 Cb 0.02 -2.07 0.00 0.00 0.13 0.00 0.00 42.46 40.54 3gul s ILE 27 CO -0.08 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.54 3gul n GLY 28 N -0.40 3.23 3.20 1.50 0.00 0.13 -0.98 105.19 111.87 3gul n GLY 28 Ca -0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3gul n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gul n ILE 29 N 0.00 4.30 -2.11 -0.61 5.41 -1.26 -1.37 119.36 123.72 3gul n ILE 29 Ca 0.00 -5.42 -0.15 0.00 1.00 0.00 0.00 62.75 58.18 3gul n ILE 29 Cb 0.00 -2.44 -0.02 0.00 -0.71 0.00 0.00 39.64 36.47 3gul n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gul n GLY 30 N 2.30 0.12 3.57 7.39 0.00 -1.24 -4.88 105.19 112.43 3gul n GLY 30 Ca 0.24 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3gul n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gul s HIS 31 N -2.69 2.67 -0.04 1.61 5.04 -0.15 -4.92 115.29 116.80 3gul s HIS 31 Ca 0.00 0.32 -0.30 0.00 -1.54 0.00 0.00 55.06 53.54 3gul s HIS 31 Cb 0.00 -4.38 -0.04 0.00 0.04 0.00 0.00 32.58 28.20 3gul s HIS 31 CO 0.00 -1.50 1.29 -1.17 -2.34 0.00 0.00 174.74 171.02 3gul s LEU 32 N 4.64 4.28 -0.15 8.88 2.96 -1.26 -1.35 118.68 136.68 3gul s LEU 32 Ca 0.40 1.92 -0.19 0.00 -0.22 0.00 0.00 54.13 56.04 3gul s LEU 32 Cb -0.09 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.81 3gul s LEU 32 CO 0.24 -0.66 0.42 -0.07 -1.32 0.00 0.00 176.35 174.96 3gul h LEU 33 N 8.44 0.19 -7.06 -0.68 3.38 -1.29 -3.49 115.31 114.80 3gul h LEU 33 Ca -0.35 -0.74 0.09 0.00 0.09 0.00 0.00 57.88 56.97 3gul h LEU 33 Cb 1.16 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 3gul h LEU 33 CO 0.90 1.52 0.43 0.28 0.09 0.00 0.00 178.44 181.66 3gul s THR 34 N -2.41 0.00 -2.10 0.22 -1.32 -1.23 -4.88 115.64 103.92 3gul s THR 34 Ca -0.24 -0.06 0.25 0.00 -1.21 0.00 0.00 61.69 60.44 3gul s THR 34 Cb 0.04 -1.08 0.24 0.00 -1.51 0.00 0.00 72.50 70.19 3gul s THR 34 CO 0.69 0.00 1.44 0.29 -2.21 0.00 0.00 174.62 174.83 3gul n LYS 35 N -0.29 1.25 -2.14 7.08 4.76 -1.26 -3.49 118.16 124.07 3gul n LYS 35 Ca -0.10 -0.87 -0.38 0.00 -2.87 0.00 0.00 58.31 54.08 3gul n LYS 35 Cb 0.62 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 3gul n LYS 35 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3gul s SER 36 N -2.35 6.23 0.00 4.39 0.15 -1.26 -4.94 113.70 115.92 3gul s SER 36 Ca 0.26 2.50 0.13 0.00 0.70 0.00 0.00 55.95 59.54 3gul s SER 36 Cb 0.19 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.60 3gul s SER 36 CO 0.48 -0.89 1.47 -0.81 1.20 0.00 0.00 173.24 174.69 3gul n PRO 37 N -0.14 1.13 -3.42 5.44 -0.04 -1.26 -4.73 135.00 131.97 3gul n PRO 37 Ca 0.05 -0.19 -0.39 0.00 -0.04 0.00 0.00 63.50 62.93 3gul n PRO 37 Cb 0.46 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 3gul n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gul s ASP 38 N -1.38 6.20 0.33 3.54 3.68 -1.26 -4.98 116.67 122.80 3gul s ASP 38 Ca 0.20 0.12 0.03 0.00 2.13 0.00 0.00 52.55 55.03 3gul s ASP 38 Cb 0.10 -2.19 0.62 0.00 -1.45 0.00 0.00 42.92 39.99 3gul s ASP 38 CO 0.16 -0.21 1.94 0.25 0.13 0.00 0.00 175.17 177.44 3gul h LEU 39 N 8.61 0.80 -0.59 -1.34 5.85 -2.00 -2.66 115.31 123.98 3gul h LEU 39 Ca -0.32 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.25 3gul h LEU 39 Cb 1.16 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3gul h LEU 39 CO 0.64 0.52 -0.56 0.78 -0.34 0.00 0.00 178.44 179.48 3gul h ASN 40 N 0.91 0.47 -0.64 1.25 2.35 -1.98 0.90 115.58 118.84 3gul h ASN 40 Ca 0.34 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3gul h ASN 40 Cb 0.18 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3gul h ASN 40 CO -0.12 0.93 0.38 0.00 -1.65 0.00 0.00 177.43 176.97 3gul h ALA 41 N 1.07 0.81 -0.91 -0.83 0.00 -1.91 -0.53 119.26 116.97 3gul h ALA 41 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gul h ALA 41 Cb 1.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3gul h ALA 41 CO 0.10 0.29 0.57 0.00 0.00 0.00 0.00 179.25 180.21 3gul h ALA 42 N 1.19 1.15 -0.67 0.00 0.00 -1.13 -2.67 119.26 117.13 3gul h ALA 42 Ca 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3gul h ALA 42 Cb -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3gul h ALA 42 CO -0.04 0.58 0.23 0.87 0.00 0.00 0.00 179.25 180.90 3gul h LYS 43 N 1.24 1.03 -0.49 0.00 1.57 -0.38 -2.23 116.57 117.31 3gul h LYS 43 Ca 0.33 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3gul h LYS 43 Cb -0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3gul h LYS 43 CO -0.07 0.88 0.14 0.66 -0.57 0.00 0.00 179.45 180.49 3gul h SER 44 N 0.97 0.67 -0.61 0.86 4.64 -1.00 -2.61 113.55 116.47 3gul h SER 44 Ca 0.22 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3gul h SER 44 Cb 0.26 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3gul h SER 44 CO -0.01 0.65 0.09 -0.33 -0.87 0.00 0.00 176.83 176.35 3gul h GLU 45 N 0.71 1.04 -0.05 4.77 4.39 -1.11 -2.08 114.58 122.25 3gul h GLU 45 Ca 0.16 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3gul h GLU 45 Cb 0.23 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3gul h GLU 45 CO -0.01 0.96 0.02 1.25 -1.16 0.00 0.00 179.01 180.07 3gul h LEU 46 N 0.97 0.06 -0.94 1.33 5.85 -1.20 -0.40 115.31 120.99 3gul h LEU 46 Ca 0.19 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3gul h LEU 46 Cb 0.44 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3gul h LEU 46 CO 0.01 0.20 0.27 0.44 -0.34 0.00 0.00 178.44 179.03 3gul h ASP 47 N -0.07 0.96 0.41 1.25 5.19 -1.38 -0.67 116.42 122.11 3gul h ASP 47 Ca 0.02 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 3gul h ASP 47 Cb 0.16 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3gul h ASP 47 CO -0.00 0.86 -0.23 0.50 -3.12 0.00 0.00 179.24 177.25 3gul h LYS 48 N 1.02 0.00 0.07 3.56 3.64 -1.31 0.88 116.57 124.42 3gul h LYS 48 Ca 0.24 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.34 3gul h LYS 48 Cb 0.21 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3gul h LYS 48 CO -0.02 0.23 -1.12 0.00 -2.27 0.00 0.00 179.45 176.28 3gul h ALA 49 N 1.77 0.05 0.13 5.00 0.00 0.34 -3.37 119.26 123.17 3gul h ALA 49 Ca -0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 54.91 53.85 3gul h ALA 49 Cb 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gul h ALA 49 CO 0.03 0.65 -1.72 0.82 0.00 0.00 0.00 179.25 179.04 3gul h ILE 50 N 0.28 0.85 0.00 0.00 1.08 -1.14 -3.49 117.51 115.09 3gul h ILE 50 Ca -0.16 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 3gul h ILE 50 Cb 1.79 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 38.16 3gul h ILE 50 CO 0.22 0.80 0.00 0.61 -0.69 0.00 0.00 178.15 179.08 3gul n GLY 51 N 1.85 1.09 3.56 5.37 0.00 0.29 -5.10 105.19 112.24 3gul n GLY 51 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3gul n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gul s ARG 52 N -0.23 1.45 -0.23 1.61 1.70 -1.16 -5.05 118.95 117.04 3gul s ARG 52 Ca 0.00 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 53.97 3gul s ARG 52 Cb 0.00 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 3gul s ARG 52 CO 0.00 -0.61 1.03 -0.80 -1.08 0.00 0.00 175.30 173.84 3gul s ASN 53 N -2.92 7.08 -0.12 -2.89 0.01 -1.26 -4.42 114.94 110.42 3gul s ASN 53 Ca 0.13 1.35 -0.12 0.00 -0.71 0.00 0.00 52.86 53.52 3gul s ASN 53 Cb -0.01 -2.54 -0.26 0.00 0.41 0.00 0.00 41.25 38.85 3gul s ASN 53 CO 0.02 -0.67 0.43 0.00 -1.51 0.00 0.00 177.10 175.37 3gul h ASN 55 N -0.19 0.00 0.00 0.00 4.21 -2.01 -3.28 115.58 114.31 3gul h ASN 55 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3gul h ASN 55 Cb 1.86 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.06 3gul h ASN 55 CO 0.05 0.24 -0.17 0.61 -1.29 0.00 0.00 177.43 176.87 3gul n GLY 56 N 0.46 0.73 2.95 2.83 0.00 -1.26 -4.91 105.19 105.99 3gul n GLY 56 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3gul n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gul s VAL 57 N 0.00 1.19 0.26 1.61 1.01 -1.24 -3.83 120.40 119.40 3gul s VAL 57 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3gul s VAL 57 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3gul s VAL 57 CO 0.00 0.39 0.12 0.27 0.00 0.00 0.00 175.10 175.88 3gul s ILE 58 N 1.56 4.05 0.91 2.22 -4.36 -0.97 -4.86 121.20 119.75 3gul s ILE 58 Ca 0.03 -1.61 -0.13 0.00 -0.26 0.00 0.00 60.65 58.69 3gul s ILE 58 Cb -0.13 -3.18 0.20 0.00 1.25 0.00 0.00 42.46 40.60 3gul s ILE 58 CO -0.08 -0.36 1.23 0.35 0.24 0.00 0.00 174.94 176.33 3gul n THR 59 N -1.07 0.00 -0.01 8.37 -2.24 -1.26 -4.88 114.28 113.19 3gul n THR 59 Ca -0.07 -1.08 -0.17 0.00 -2.27 0.00 0.00 64.05 60.46 3gul n THR 59 Cb 0.58 -1.39 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 3gul n THR 59 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gul h LYS 60 N 0.00 0.37 -0.03 -0.78 3.64 -2.00 -2.30 116.57 115.46 3gul h LYS 60 Ca -0.40 -0.39 -0.08 0.00 -1.27 0.00 0.00 60.65 58.51 3gul h LYS 60 Cb 1.17 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3gul h LYS 60 CO 0.31 1.06 -0.37 -0.44 -2.27 0.00 0.00 179.45 177.74 3gul h ASP 61 N -0.16 0.07 -0.12 4.20 3.32 -1.98 -1.51 116.42 120.25 3gul h ASP 61 Ca -0.06 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3gul h ASP 61 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3gul h ASP 61 CO 0.10 0.43 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.30 3gul h GLU 62 N 0.06 0.49 -0.99 3.56 5.08 -1.96 -1.05 114.58 119.77 3gul h GLU 62 Ca 0.00 -0.37 0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3gul h GLU 62 Cb 0.68 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3gul h GLU 62 CO 0.05 1.00 0.63 0.00 -1.00 0.00 0.00 179.01 179.69 3gul h ALA 63 N 0.49 1.42 0.00 3.43 0.00 -1.23 -0.53 119.26 122.84 3gul h ALA 63 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3gul h ALA 63 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3gul h ALA 63 CO 0.09 0.34 -0.66 0.93 0.00 0.00 0.00 179.25 179.95 3gul h GLU 64 N 1.08 0.00 0.07 0.00 5.08 -1.22 -0.94 114.58 118.65 3gul h GLU 64 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3gul h GLU 64 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gul h GLU 64 CO -0.21 0.66 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.21 3gul h LYS 65 N 0.00 -0.09 -0.79 2.33 3.64 -0.56 -2.28 116.57 118.82 3gul h LYS 65 Ca -0.01 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3gul h LYS 65 Cb 1.23 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 3gul h LYS 65 CO 0.09 0.29 0.40 -0.07 -2.27 0.00 0.00 179.45 177.89 3gul h LEU 66 N -0.50 0.50 -0.15 5.20 3.38 -1.05 -2.08 115.31 120.62 3gul h LEU 66 Ca -0.01 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gul h LEU 66 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3gul h LEU 66 CO 0.02 0.25 0.06 0.15 0.09 0.00 0.00 178.44 179.01 3gul h PHE 67 N 0.63 0.12 -0.64 1.13 3.57 -1.11 0.32 116.94 120.95 3gul h PHE 67 Ca 0.41 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.98 3gul h PHE 67 Cb 0.51 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3gul h PHE 67 CO -0.10 0.06 0.34 -0.91 -2.23 0.00 0.00 178.31 175.47 3gul h ASN 68 N 0.14 0.48 -0.54 0.41 2.35 -1.03 -0.17 115.58 117.22 3gul h ASN 68 Ca 0.06 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3gul h ASN 68 Cb 0.02 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3gul h ASN 68 CO -0.05 0.30 0.31 1.56 -1.65 0.00 0.00 177.43 177.90 3gul h GLN 69 N 0.62 0.74 -0.21 0.81 4.20 -1.04 -2.26 115.11 117.97 3gul h GLN 69 Ca 0.29 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.73 3gul h GLN 69 Cb 0.22 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3gul h GLN 69 CO -0.20 0.56 -0.67 -0.44 -0.67 0.00 0.00 178.83 177.41 3gul h ASP 70 N 0.72 0.91 -0.08 1.46 3.32 -0.48 0.60 116.42 122.87 3gul h ASP 70 Ca 0.19 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.72 3gul h ASP 70 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3gul h ASP 70 CO -0.03 1.34 -0.06 0.58 -1.72 0.00 0.00 179.24 179.34 3gul h VAL 71 N 0.57 0.81 -0.13 -1.35 2.07 -1.07 -0.71 116.25 116.45 3gul h VAL 71 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3gul h VAL 71 Cb 1.28 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3gul h VAL 71 CO 0.14 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.87 3gul h ASP 72 N -0.07 -0.26 -0.85 0.57 3.58 -1.30 -1.28 116.42 116.80 3gul h ASP 72 Ca 0.05 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.68 3gul h ASP 72 Cb 0.15 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 3gul h ASP 72 CO -0.12 -0.11 0.55 0.00 -2.88 0.00 0.00 179.24 176.67 3gul h ALA 73 N 1.03 1.76 -0.33 -0.78 0.00 -0.80 -1.00 119.26 119.14 3gul h ALA 73 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3gul h ALA 73 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gul h ALA 73 CO -0.18 0.04 -0.19 0.00 0.00 0.00 0.00 179.25 178.92 3gul h ALA 74 N 1.59 0.47 -0.25 0.00 0.00 -0.33 0.11 119.26 120.84 3gul h ALA 74 Ca 0.40 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gul h ALA 74 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gul h ALA 74 CO -0.17 0.41 0.02 0.28 0.00 0.00 0.00 179.25 179.79 3gul h VAL 75 N 0.48 1.24 -0.75 0.00 2.07 -0.95 -2.03 116.25 116.31 3gul h VAL 75 Ca 0.07 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3gul h VAL 75 Cb 0.74 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3gul h VAL 75 CO 0.05 0.26 0.32 0.03 0.02 0.00 0.00 177.57 178.26 3gul h ARG 76 N 0.23 1.10 -0.70 1.57 3.08 -1.19 -0.90 114.38 117.57 3gul h ARG 76 Ca 0.08 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.00 3gul h ARG 76 Cb 0.36 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3gul h ARG 76 CO 0.01 0.88 0.41 0.78 -1.07 0.00 0.00 179.97 180.98 3gul h GLY 77 N 1.12 1.03 0.82 0.04 0.00 -0.61 -1.11 103.07 104.37 3gul h GLY 77 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3gul h GLY 77 CO -0.03 0.20 -0.01 -2.22 0.00 0.00 0.00 176.54 174.48 3gul h ILE 78 N 0.76 1.11 0.00 2.60 2.04 -0.96 -2.64 117.51 120.42 3gul h ILE 78 Ca 0.31 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gul h ILE 78 Cb 0.15 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3gul h ILE 78 CO -0.16 0.10 -0.12 -0.07 0.00 0.00 0.00 178.15 177.90 3gul h LEU 79 N -0.21 0.00 0.00 1.44 3.38 -0.86 -2.24 115.31 116.82 3gul h LEU 79 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gul h LEU 79 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gul h LEU 79 CO 0.01 0.12 -0.82 0.54 0.09 0.00 0.00 178.44 178.38 3gul n ARG 80 N -3.41 0.14 -3.28 1.13 1.74 -0.45 -4.82 116.66 107.71 3gul n ARG 80 Ca -0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 3gul n ARG 80 Cb 0.30 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3gul n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gul s ASN 81 N -3.46 6.65 0.44 0.55 3.84 -0.85 -4.98 114.94 117.13 3gul s ASN 81 Ca 0.07 0.77 0.23 0.00 0.21 0.00 0.00 52.86 54.14 3gul s ASN 81 Cb 0.16 -2.29 0.98 0.00 -0.55 0.00 0.00 41.25 39.54 3gul s ASN 81 CO 0.77 -0.07 1.86 0.00 -2.79 0.00 0.00 177.10 176.88 3gul h ALA 82 N 6.99 1.11 0.10 1.71 0.00 -1.89 -1.14 119.26 126.13 3gul h ALA 82 Ca -0.38 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.01 3gul h ALA 82 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3gul h ALA 82 CO 0.75 0.31 -1.40 0.87 0.00 0.00 0.00 179.25 179.79 3gul h LYS 83 N 0.00 0.21 0.12 0.00 1.57 -1.93 -3.40 116.57 113.14 3gul h LYS 83 Ca -0.00 -0.35 -0.25 0.00 -1.87 0.00 0.00 60.65 58.17 3gul h LYS 83 Cb 0.68 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3gul h LYS 83 CO 0.03 1.09 -1.27 -0.07 -0.57 0.00 0.00 179.45 178.65 3gul h LEU 84 N 0.06 0.39 0.03 2.94 3.38 -1.75 -3.38 115.31 116.98 3gul h LEU 84 Ca -0.19 -0.87 0.02 0.00 0.09 0.00 0.00 57.88 56.94 3gul h LEU 84 Cb 1.97 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 3gul h LEU 84 CO 0.16 1.56 -0.20 0.50 0.09 0.00 0.00 178.44 180.56 3gul h LYS 85 N -0.34 -0.33 -0.53 1.13 3.64 -1.18 0.12 116.57 119.08 3gul h LYS 85 Ca -0.27 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3gul h LYS 85 Cb 1.72 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.59 3gul h LYS 85 CO 0.07 -0.22 0.28 -1.00 -2.27 0.00 0.00 179.45 176.32 3gul h PRO 86 N -0.34 0.73 -0.02 1.90 0.13 -1.78 -0.01 132.00 132.61 3gul h PRO 86 Ca 0.05 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3gul h PRO 86 Cb 0.40 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 3gul h PRO 86 CO -0.17 0.55 -0.01 0.28 -0.23 0.00 0.00 178.00 178.42 3gul h VAL 87 N 0.74 1.31 -0.68 1.56 2.07 -1.65 -2.98 116.25 116.62 3gul h VAL 87 Ca 0.19 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.90 3gul h VAL 87 Cb 0.03 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 3gul h VAL 87 CO -0.03 0.25 0.25 0.22 0.02 0.00 0.00 177.57 178.28 3gul h TYR 88 N -0.33 0.43 0.00 1.57 3.20 -0.42 -1.98 116.97 119.45 3gul h TYR 88 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3gul h TYR 88 Cb 0.40 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3gul h TYR 88 CO 0.06 0.07 0.00 -0.44 -1.64 0.00 0.00 178.16 176.21 3gul h ASP 89 N 0.42 0.00 1.89 -2.11 3.32 -0.99 -2.33 116.42 116.62 3gul h ASP 89 Ca 0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 3gul h ASP 89 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3gul h ASP 89 CO -0.36 0.00 -0.11 0.77 -1.72 0.00 0.00 179.24 177.82 3gul h SER 90 N 0.00 0.00 -4.03 6.45 4.64 -1.20 -3.47 113.55 115.94 3gul h SER 90 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3gul h SER 90 Cb 0.58 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3gul h SER 90 CO 0.00 0.04 0.39 -0.76 -0.87 0.00 0.00 176.83 175.63 3gul s LEU 91 N -6.17 3.97 0.90 5.97 1.43 -0.88 -5.06 118.68 118.84 3gul s LEU 91 Ca 0.06 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 3gul s LEU 91 Cb 0.06 -4.41 0.13 0.00 0.03 0.00 0.00 46.19 41.99 3gul s LEU 91 CO 0.68 -0.62 1.11 1.51 0.23 0.00 0.00 176.35 179.26 3gul s ASP 92 N -1.84 3.58 0.17 2.29 -4.77 -1.26 -4.77 116.67 110.07 3gul s ASP 92 Ca 0.63 1.22 -0.18 0.00 -3.30 0.00 0.00 52.55 50.91 3gul s ASP 92 Cb -0.18 -1.88 0.09 0.00 -1.09 0.00 0.00 42.92 39.87 3gul s ASP 92 CO 0.22 -2.54 1.65 0.00 0.70 0.00 0.00 175.17 175.20 3gul h ALA 93 N -1.48 0.15 -0.54 2.11 0.00 -1.97 -1.18 119.26 116.35 3gul h ALA 93 Ca -0.50 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3gul h ALA 93 Cb 1.30 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3gul h ALA 93 CO 0.59 -0.53 -0.05 0.28 0.00 0.00 0.00 179.25 179.54 3gul h VAL 94 N -0.09 1.27 -0.00 0.00 2.07 -1.93 -2.75 116.25 114.81 3gul h VAL 94 Ca 0.19 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.41 3gul h VAL 94 Cb 0.38 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3gul h VAL 94 CO -0.45 0.42 -0.55 0.03 0.02 0.00 0.00 177.57 177.04 3gul h ARG 95 N 0.86 0.01 -1.92 1.57 3.08 -1.74 -2.83 114.38 113.42 3gul h ARG 95 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gul h ARG 95 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3gul h ARG 95 CO 0.04 0.56 0.00 0.54 -1.07 0.00 0.00 179.97 180.03 3gul n ARG 96 N -3.89 0.00 0.00 0.04 1.74 -0.49 -1.10 116.66 112.95 3gul n ARG 96 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3gul n ARG 96 Cb 0.56 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3gul n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gul n ALA 98 N 0.99 0.00 -0.02 7.54 0.00 -1.07 -0.94 120.51 127.01 3gul n ALA 98 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3gul n ALA 98 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3gul n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gul h ALA 99 N 0.00 0.14 -0.61 0.00 0.00 -1.42 0.14 119.26 117.51 3gul h ALA 99 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gul h ALA 99 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3gul h ALA 99 CO 0.00 -0.25 0.31 0.82 0.00 0.00 0.00 179.25 180.14 3gul h ILE 100 N -0.01 0.93 -0.69 0.00 2.04 -1.31 -2.27 117.51 116.19 3gul h ILE 100 Ca 0.03 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3gul h ILE 100 Cb 0.21 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3gul h ILE 100 CO -0.00 0.11 0.39 -1.13 0.00 0.00 0.00 178.15 177.52 3gul h ASN 101 N 0.58 0.86 -0.29 1.72 -0.73 -1.74 -0.02 115.58 115.96 3gul h ASN 101 Ca 0.28 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.36 3gul h ASN 101 Cb 0.21 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 3gul h ASN 101 CO -0.20 0.69 0.17 -0.08 -0.37 0.00 0.00 177.43 177.65 3gul h GLU 102 N 0.95 0.40 -0.55 6.67 4.81 -0.32 -2.07 114.58 124.46 3gul h GLU 102 Ca 0.25 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3gul h GLU 102 Cb 0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3gul h GLU 102 CO -0.04 0.32 0.01 0.28 -0.73 0.00 0.00 179.01 178.85 3gul h VAL 103 N 0.37 1.26 -0.44 0.32 2.07 -1.22 0.10 116.25 118.73 3gul h VAL 103 Ca 0.10 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.59 3gul h VAL 103 Cb 0.02 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gul h VAL 103 CO -0.02 0.39 0.12 0.15 0.02 0.00 0.00 177.57 178.23 3gul h PHE 104 N 0.85 0.20 -0.02 1.57 3.04 -0.89 0.35 116.94 122.04 3gul h PHE 104 Ca 0.16 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3gul h PHE 104 Cb 0.52 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.01 3gul h PHE 104 CO 0.04 0.05 -0.08 1.96 -2.02 0.00 0.00 178.31 178.25 3gul h GLN 105 N 0.27 0.09 0.00 1.11 4.20 -1.19 -3.39 115.11 116.20 3gul h GLN 105 Ca 0.21 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gul h GLN 105 Cb 0.24 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3gul h GLN 105 CO -0.25 0.72 -1.30 -1.33 -0.67 0.00 0.00 178.83 176.01 3gul n MET 106 N -4.68 0.58 -0.01 1.46 2.81 0.35 -5.09 117.12 112.54 3gul n MET 106 Ca -0.09 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3gul n MET 106 Cb 0.37 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3gul n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gul n GLY 107 N 1.23 -2.70 0.33 3.03 0.00 0.12 -4.27 105.19 102.93 3gul n GLY 107 Ca -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 3gul n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gul h VAL 108 N -0.00 1.12 -0.23 1.61 2.07 -1.94 -2.93 116.25 115.94 3gul h VAL 108 Ca -0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3gul h VAL 108 Cb 0.00 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3gul h VAL 108 CO 0.00 0.19 0.03 0.74 0.02 0.00 0.00 177.57 178.55 3gul h THR 109 N 1.06 1.24 -0.43 2.57 2.02 -1.96 -0.37 112.91 117.03 3gul h THR 109 Ca 0.35 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3gul h THR 109 Cb 0.04 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3gul h THR 109 CO -0.13 0.25 0.28 1.23 0.37 0.00 0.00 175.52 177.52 3gul h GLY 110 N 0.18 0.61 1.17 2.16 0.00 -1.73 -2.84 103.07 102.63 3gul h GLY 110 Ca 0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3gul h GLY 110 CO 0.01 0.21 -0.25 -2.08 0.00 0.00 0.00 176.54 174.42 3gul h VAL 111 N 0.57 1.27 0.00 4.60 2.07 -1.35 -2.96 116.25 120.45 3gul h VAL 111 Ca 0.16 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3gul h VAL 111 Cb -0.05 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3gul h VAL 111 CO -0.05 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 178.02 3gul h ALA 112 N 0.90 1.23 0.00 1.67 0.00 -0.82 -1.80 119.26 120.43 3gul h ALA 112 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gul h ALA 112 Cb 0.82 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gul h ALA 112 CO 0.07 0.01 -0.07 0.78 0.00 0.00 0.00 179.25 180.04 3gul h GLY 113 N 0.11 0.00 -5.98 0.00 0.00 -1.39 -3.38 103.07 92.43 3gul h GLY 113 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3gul h GLY 113 CO 0.00 0.00 2.62 0.69 0.00 0.00 0.00 176.54 179.85 3gul n PHE 114 N -3.16 1.97 -0.26 5.60 3.01 -0.68 -4.74 117.46 119.19 3gul n PHE 114 Ca 0.01 -2.10 -0.01 0.00 1.01 0.00 0.00 57.45 56.36 3gul n PHE 114 Cb 0.39 -1.86 0.11 0.00 -0.01 0.00 0.00 39.48 38.11 3gul n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3gul h THR 115 N 3.98 1.00 -0.00 4.37 2.02 -1.86 -1.43 112.91 120.99 3gul h THR 115 Ca 0.50 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 67.29 3gul h THR 115 Cb 0.47 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3gul h THR 115 CO 1.78 0.15 -0.41 0.78 0.37 0.00 0.00 175.52 178.18 3gul h ASN 116 N 0.81 0.37 -0.98 4.18 4.21 -1.97 -2.67 115.58 119.52 3gul h ASN 116 Ca 0.33 -0.77 0.11 0.00 1.21 0.00 0.00 56.30 57.19 3gul h ASN 116 Cb 0.17 -0.11 -0.08 0.00 -1.12 0.00 0.00 38.32 37.18 3gul h ASN 116 CO -0.17 1.08 0.61 0.58 -1.29 0.00 0.00 177.43 178.24 3gul h VAL 117 N -0.31 0.92 -0.60 2.81 2.07 -1.92 0.24 116.25 119.46 3gul h VAL 117 Ca -0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3gul h VAL 117 Cb 1.14 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3gul h VAL 117 CO 0.08 0.18 0.27 -0.07 0.02 0.00 0.00 177.57 178.04 3gul h LEU 118 N 0.97 0.81 -0.29 2.57 3.38 -1.27 0.41 115.31 121.88 3gul h LEU 118 Ca 0.48 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3gul h LEU 118 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3gul h LEU 118 CO -0.26 0.73 -0.02 -0.09 0.09 0.00 0.00 178.44 178.90 3gul h ARG 119 N 0.83 0.53 -0.57 1.13 2.43 -0.93 -1.69 114.38 116.10 3gul h ARG 119 Ca 0.20 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3gul h ARG 119 Cb 0.16 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3gul h ARG 119 CO -0.02 0.69 0.33 0.52 -1.51 0.00 0.00 179.97 179.98 3gul h MET 120 N 0.31 0.63 -0.60 0.20 2.86 -0.40 -0.64 114.93 117.29 3gul h MET 120 Ca 0.08 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3gul h MET 120 Cb 0.46 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3gul h MET 120 CO 0.02 0.42 0.15 -0.07 1.06 0.00 0.00 176.91 178.48 3gul h LEU 121 N 0.65 0.90 -1.01 1.22 3.38 -0.89 0.53 115.31 120.09 3gul h LEU 121 Ca 0.24 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3gul h LEU 121 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gul h LEU 121 CO -0.12 0.90 -0.46 -0.61 0.09 0.00 0.00 178.44 178.23 3gul h GLN 122 N 0.86 0.08 -0.07 1.13 4.15 -0.90 -1.58 115.11 118.79 3gul h GLN 122 Ca 0.19 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3gul h GLN 122 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 3gul h GLN 122 CO 0.00 0.53 0.00 1.04 -1.93 0.00 0.00 178.83 178.47 3gul n GLN 123 N -3.99 1.40 -2.99 1.69 6.02 -0.28 -4.93 117.38 114.31 3gul n GLN 123 Ca -0.02 -0.59 -0.18 0.00 -0.01 0.00 0.00 57.00 56.20 3gul n GLN 123 Cb 0.49 -1.39 0.04 0.00 1.02 0.00 0.00 30.24 30.40 3gul n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gul n LYS 124 N -0.22 -4.52 -2.84 -1.09 5.02 -0.59 -4.94 118.16 108.98 3gul n LYS 124 Ca 0.17 0.71 -0.44 0.00 -2.02 0.00 0.00 58.31 56.74 3gul n LYS 124 Cb 0.22 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 3gul n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gul n ARG 125 N -3.54 3.67 -0.21 1.97 1.74 0.18 -4.87 116.66 115.60 3gul n ARG 125 Ca -0.07 -3.98 -0.08 0.00 -0.77 0.00 0.00 57.85 52.95 3gul n ARG 125 Cb 0.59 -2.83 0.02 0.00 -1.02 0.00 0.00 32.46 29.22 3gul n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3gul h TRP 126 N 6.32 0.97 0.17 -1.55 -0.00 -1.89 -2.59 115.95 117.39 3gul h TRP 126 Ca 0.30 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 59.07 3gul h TRP 126 Cb 0.75 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.63 3gul h TRP 126 CO 1.07 0.82 -0.13 -0.44 -0.00 0.00 0.00 178.44 179.76 3gul h ASP 127 N 0.84 -0.33 -0.78 -3.49 5.19 -1.89 -2.24 116.42 113.72 3gul h ASP 127 Ca 0.19 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 3gul h ASP 127 Cb 0.33 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 3gul h ASP 127 CO -0.00 -0.20 0.33 -0.33 -3.12 0.00 0.00 179.24 175.91 3gul h GLU 128 N -0.31 1.16 -0.70 3.56 5.08 -1.96 -2.19 114.58 119.23 3gul h GLU 128 Ca -0.01 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3gul h GLU 128 Cb 0.27 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3gul h GLU 128 CO -0.00 0.93 0.30 0.00 -1.00 0.00 0.00 179.01 179.24 3gul h ALA 129 N 1.17 0.90 -0.35 3.43 0.00 -1.43 -0.43 119.26 122.56 3gul h ALA 129 Ca 0.26 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3gul h ALA 129 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gul h ALA 129 CO -0.02 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 3gul h ALA 130 N 1.14 0.93 -0.19 0.00 0.00 -1.22 -0.21 119.26 119.71 3gul h ALA 130 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gul h ALA 130 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gul h ALA 130 CO -0.02 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.18 3gul h VAL 131 N 0.61 1.20 -0.35 0.00 2.07 -1.16 -1.86 116.25 116.76 3gul h VAL 131 Ca 0.08 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 3gul h VAL 131 Cb 0.73 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3gul h VAL 131 CO 0.06 0.20 -0.21 0.78 0.02 0.00 0.00 177.57 178.41 3gul h ASN 132 N 0.13 0.68 0.34 0.57 -0.26 -0.86 -2.28 115.58 113.90 3gul h ASN 132 Ca 0.06 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.48 3gul h ASN 132 Cb 0.25 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3gul h ASN 132 CO -0.00 0.88 -0.41 -0.07 -1.06 0.00 0.00 177.43 176.77 3gul h LEU 133 N 0.59 0.09 0.00 1.61 3.38 -1.03 -2.64 115.31 117.31 3gul h LEU 133 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gul h LEU 133 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gul h LEU 133 CO 0.05 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3gul n ALA 134 N -2.47 2.05 1.01 1.53 0.00 -0.70 -2.18 120.51 119.75 3gul n ALA 134 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3gul n ALA 134 Cb 0.45 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3gul n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gul n LYS 135 N -1.39 0.24 -1.76 0.00 5.02 -1.00 -4.69 118.16 114.58 3gul n LYS 135 Ca 0.08 -0.19 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 3gul n LYS 135 Cb 0.21 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3gul n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gul s SER 136 N -2.89 4.79 0.42 4.39 1.04 -0.93 -4.88 113.70 115.64 3gul s SER 136 Ca 0.11 2.66 0.09 0.00 0.48 0.00 0.00 55.95 59.30 3gul s SER 136 Cb 0.17 -2.62 0.88 0.00 0.10 0.00 0.00 66.02 64.55 3gul s SER 136 CO 0.77 -1.89 2.01 -0.09 0.98 0.00 0.00 173.24 175.02 3gul h ARG 137 N 0.80 0.32 -0.08 4.02 2.43 -1.94 -2.22 114.38 117.71 3gul h ARG 137 Ca -0.51 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.66 3gul h ARG 137 Cb 1.33 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 3gul h ARG 137 CO 0.54 0.32 -0.27 2.35 -1.51 0.00 0.00 179.97 181.40 3gul h TRP 138 N 0.32 -0.72 0.20 2.20 7.01 -1.92 -2.45 115.95 120.59 3gul h TRP 138 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3gul h TRP 138 Cb 0.15 0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 3gul h TRP 138 CO 0.00 -0.35 -0.09 -0.92 -2.79 0.00 0.00 178.44 174.29 3gul h TYR 139 N -0.37 -0.24 0.00 2.65 3.20 -1.70 0.19 116.97 120.70 3gul h TYR 139 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3gul h TYR 139 Cb 0.49 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3gul h TYR 139 CO -0.34 -0.03 0.00 -0.91 -1.64 0.00 0.00 178.16 175.24 3gul h ASN 140 N -0.42 0.00 0.00 -2.11 2.35 -1.41 -2.52 115.58 111.48 3gul h ASN 140 Ca -0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.42 3gul h ASN 140 Cb 0.32 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3gul h ASN 140 CO 0.04 0.00 -2.15 0.00 -1.65 0.00 0.00 177.43 173.68 3gul n GLN 141 N -2.85 1.06 -3.23 0.81 6.02 -0.93 -4.72 117.38 113.54 3gul n GLN 141 Ca -0.02 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.73 3gul n GLN 141 Cb 0.12 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 3gul n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gul h PRO 143 N 3.87 0.24 -0.00 0.00 0.13 -1.69 -1.87 132.00 132.68 3gul h PRO 143 Ca 0.19 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gul h PRO 143 Cb 0.60 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3gul h PRO 143 CO 0.87 0.43 -0.32 -0.25 -0.23 0.00 0.00 178.00 178.49 3gul n ASP 144 N -4.80 0.49 0.08 1.44 8.00 -1.26 -0.59 116.55 119.90 3gul n ASP 144 Ca -0.05 -0.25 -0.04 0.00 0.71 0.00 0.00 54.79 55.15 3gul n ASP 144 Cb 0.18 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 3gul n ASP 144 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3gul h ARG 145 N 0.26 0.00 0.00 -1.24 9.65 -1.82 -3.38 114.38 117.85 3gul h ARG 145 Ca 0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 3gul h ARG 145 Cb 0.48 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 3gul h ARG 145 CO 0.00 0.86 -1.93 0.00 2.80 0.00 0.00 179.97 181.70 3gul n ALA 146 N -2.32 2.11 -0.18 2.80 0.00 -0.72 -4.69 120.51 117.51 3gul n ALA 146 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 3gul n ALA 146 Cb 0.88 -0.33 0.07 0.00 0.00 0.00 0.00 19.45 20.07 3gul n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gul h LYS 147 N 0.00 0.49 0.00 0.00 2.10 -1.03 -1.88 116.57 116.25 3gul h LYS 147 Ca -0.22 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.31 3gul h LYS 147 Cb 1.38 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3gul h LYS 147 CO 0.01 0.33 -0.45 0.00 -2.00 0.00 0.00 179.45 177.34 3gul h ARG 148 N 0.51 0.00 -0.23 0.07 3.08 -1.84 -1.64 114.38 114.33 3gul h ARG 148 Ca 0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3gul h ARG 148 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gul h ARG 148 CO -0.19 0.45 -0.20 0.28 -1.07 0.00 0.00 179.97 179.24 3gul h VAL 149 N 0.00 1.32 -0.43 2.04 2.07 -1.66 -0.61 116.25 118.98 3gul h VAL 149 Ca -0.00 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 3gul h VAL 149 Cb 1.02 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3gul h VAL 149 CO 0.06 0.42 0.06 0.40 0.02 0.00 0.00 177.57 178.53 3gul h ILE 150 N 0.23 1.25 -0.78 4.57 2.04 -1.22 -1.90 117.51 121.70 3gul h ILE 150 Ca 0.04 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3gul h ILE 150 Cb 0.74 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3gul h ILE 150 CO 0.05 0.31 0.51 0.74 0.00 0.00 0.00 178.15 179.77 3gul h THR 151 N 0.57 1.19 -0.96 -0.27 2.02 -1.27 -1.89 112.91 112.31 3gul h THR 151 Ca 0.13 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3gul h THR 151 Cb 0.39 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 3gul h THR 151 CO 0.01 0.19 0.63 0.74 0.37 0.00 0.00 175.52 177.46 3gul h THR 152 N 1.04 1.19 -0.64 3.16 2.02 -0.93 -0.18 112.91 118.58 3gul h THR 152 Ca 0.29 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3gul h THR 152 Cb -0.11 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.11 3gul h THR 152 CO -0.06 0.23 0.16 -0.26 0.37 0.00 0.00 175.52 175.96 3gul h PHE 153 N 1.24 1.03 -0.18 3.16 0.04 -0.78 0.21 116.94 121.65 3gul h PHE 153 Ca 0.37 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.94 3gul h PHE 153 Cb -0.06 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 3gul h PHE 153 CO -0.01 0.84 -0.27 -0.09 -0.60 0.00 0.00 178.31 178.19 3gul h ARG 154 N 0.95 0.51 0.08 1.51 2.43 -0.70 -3.38 114.38 115.78 3gul h ARG 154 Ca 0.20 -0.30 -0.35 0.00 -0.81 0.00 0.00 59.98 58.73 3gul h ARG 154 Cb 0.32 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3gul h ARG 154 CO -0.00 0.89 -1.97 0.25 -1.51 0.00 0.00 179.97 177.63 3gul n THR 155 N -4.39 1.70 -1.48 0.20 -2.24 -0.14 -4.75 114.28 103.18 3gul n THR 155 Ca -0.06 -0.70 -0.07 0.00 -2.27 0.00 0.00 64.05 60.95 3gul n THR 155 Cb 0.45 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.18 3gul n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gul n GLY 156 N 1.89 0.69 3.57 3.38 0.00 0.73 -5.04 105.19 110.40 3gul n GLY 156 Ca -0.29 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3gul n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gul s THR 157 N -2.30 1.61 -2.08 2.61 -4.23 -1.26 -4.76 115.64 105.24 3gul s THR 157 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3gul s THR 157 Cb 0.00 -2.85 0.40 0.00 1.34 0.00 0.00 72.50 71.39 3gul s THR 157 CO 0.00 0.00 1.37 0.79 -0.54 0.00 0.00 174.62 176.24 3gul n TRP 158 N -0.89 0.51 0.08 3.99 5.03 -1.26 -4.55 117.44 120.35 3gul n TRP 158 Ca -0.05 -0.25 0.05 0.00 3.03 0.00 0.00 57.50 60.28 3gul n TRP 158 Cb 0.67 0.00 0.49 0.00 -1.03 0.00 0.00 31.31 31.44 3gul n TRP 158 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 3gul h ASP 159 N 2.58 0.32 0.18 -0.99 3.32 -1.98 -1.44 116.42 118.41 3gul h ASP 159 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gul h ASP 159 Cb 0.58 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3gul h ASP 159 CO 0.00 0.24 -0.01 0.00 -1.72 0.00 0.00 179.24 177.75 3gul h ALA 160 N 1.82 1.13 -0.09 3.45 0.00 -1.91 -2.47 119.26 121.19 3gul h ALA 160 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gul h ALA 160 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gul h ALA 160 CO -0.02 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3gul n TYR 161 N -3.29 0.09 1.35 0.00 4.02 -0.55 -4.98 117.16 113.80 3gul n TYR 161 Ca -0.02 -0.05 0.11 0.00 -0.01 0.00 0.00 57.90 57.92 3gul n TYR 161 Cb 0.12 -0.00 0.64 0.00 -0.02 0.00 0.00 39.34 40.08 3gul n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02