#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gl9 s LYS 3 N 0.00 3.57 -0.16 4.33 -0.14 -1.26 -4.98 119.74 121.10 3gl9 s LYS 3 Ca 0.00 -0.04 -0.03 0.00 -1.36 0.00 0.00 55.97 54.55 3gl9 s LYS 3 Cb 0.00 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 3gl9 s LYS 3 CO 0.00 0.70 -0.07 0.15 -0.76 0.00 0.00 175.35 175.37 3gl9 s LYS 4 N -1.42 3.52 -0.15 1.68 1.02 -1.26 -1.26 119.74 121.87 3gl9 s LYS 4 Ca 0.23 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.60 3gl9 s LYS 4 Cb -0.13 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3gl9 s LYS 4 CO 0.12 0.14 -0.09 0.08 -0.92 0.00 0.00 175.35 174.68 3gl9 s VAL 5 N 0.60 3.32 -0.26 3.17 1.01 -0.20 -0.91 120.40 127.13 3gl9 s VAL 5 Ca -0.04 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 3gl9 s VAL 5 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3gl9 s VAL 5 CO 0.03 0.50 0.45 -0.22 0.00 0.00 0.00 175.10 175.85 3gl9 s LEU 6 N 0.58 4.05 -0.34 3.92 2.96 -0.08 -0.60 118.68 129.18 3gl9 s LEU 6 Ca -0.06 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3gl9 s LEU 6 Cb -0.15 -2.55 0.04 0.00 0.50 0.00 0.00 46.19 44.03 3gl9 s LEU 6 CO 0.03 -0.24 0.10 -0.22 -1.32 0.00 0.00 176.35 174.70 3gl9 s LEU 7 N 2.19 4.29 -0.35 -0.68 2.96 0.75 -0.35 118.68 127.50 3gl9 s LEU 7 Ca 0.18 -1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 52.89 3gl9 s LEU 7 Cb -0.16 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.74 3gl9 s LEU 7 CO 0.09 -0.32 0.10 -0.69 -1.32 0.00 0.00 176.35 174.21 3gl9 s VAL 8 N 1.39 3.39 -0.27 1.68 1.01 0.76 -1.45 120.40 126.90 3gl9 s VAL 8 Ca -0.02 -1.48 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 3gl9 s VAL 8 Cb -0.20 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.23 3gl9 s VAL 8 CO 0.02 -0.31 0.84 -0.62 0.00 0.00 0.00 175.10 175.03 3gl9 s ASP 9 N 1.51 -0.64 0.20 3.32 -1.08 -0.88 -4.34 116.67 114.77 3gl9 s ASP 9 Ca -0.00 1.23 0.26 0.00 -0.52 0.00 0.00 52.55 53.51 3gl9 s ASP 9 Cb -0.21 1.25 0.72 0.00 -1.46 0.00 0.00 42.92 43.21 3gl9 s ASP 9 CO -0.01 -0.21 1.70 -2.24 0.52 0.00 0.00 175.17 174.93 3gl9 h ASP 10 N 4.77 0.00 -3.43 -0.34 2.03 -1.82 -3.40 116.42 114.24 3gl9 h ASP 10 Ca -0.29 -0.03 -0.60 0.00 -0.73 0.00 0.00 57.03 55.38 3gl9 h ASP 10 Cb 1.17 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.57 3gl9 h ASP 10 CO 0.08 0.02 0.40 -0.55 -1.03 0.00 0.00 179.24 178.15 3gl9 s SER 11 N -4.55 6.67 0.28 4.15 0.15 -1.26 -4.94 113.70 114.20 3gl9 s SER 11 Ca 0.10 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3gl9 s SER 11 Cb 0.12 -2.41 0.40 0.00 -1.71 0.00 0.00 66.02 62.42 3gl9 s SER 11 CO 0.62 -0.61 1.76 0.00 1.20 0.00 0.00 173.24 176.22 3gl9 h ALA 12 N 8.09 1.14 -0.24 5.45 0.00 -2.00 -1.24 119.26 130.46 3gl9 h ALA 12 Ca -0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3gl9 h ALA 12 Cb 1.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gl9 h ALA 12 CO 0.88 0.54 -0.20 0.28 0.00 0.00 0.00 179.25 180.76 3gl9 h VAL 13 N 0.61 1.24 -0.01 0.00 2.07 -2.00 -2.74 116.25 115.43 3gl9 h VAL 13 Ca 0.11 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3gl9 h VAL 13 Cb 0.50 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3gl9 h VAL 13 CO 0.03 0.36 -0.01 0.25 0.02 0.00 0.00 177.57 178.22 3gl9 h LEU 14 N 0.39 0.03 -0.96 2.57 7.12 -1.93 -3.28 115.31 119.25 3gl9 h LEU 14 Ca 0.07 -0.48 0.01 0.00 0.13 0.00 0.00 57.88 57.61 3gl9 h LEU 14 Cb 0.58 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.65 3gl9 h LEU 14 CO 0.04 0.51 0.64 0.03 -0.13 0.00 0.00 178.44 179.52 3gl9 h ARG 15 N -0.44 1.26 -0.69 1.25 3.08 -1.07 -1.41 114.38 116.37 3gl9 h ARG 15 Ca 0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3gl9 h ARG 15 Cb 0.50 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3gl9 h ARG 15 CO 0.00 0.84 0.25 -0.22 -1.07 0.00 0.00 179.97 179.77 3gl9 h LYS 16 N 1.30 1.04 -0.52 0.04 3.64 -1.63 0.23 116.57 120.67 3gl9 h LYS 16 Ca 0.35 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3gl9 h LYS 16 Cb -0.14 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 3gl9 h LYS 16 CO -0.08 0.88 -0.04 0.82 -2.27 0.00 0.00 179.45 178.77 3gl9 h ILE 17 N 0.99 1.26 0.04 2.00 2.04 -1.44 -3.09 117.51 119.30 3gl9 h ILE 17 Ca 0.23 -1.13 -0.20 0.00 1.00 0.00 0.00 64.86 64.75 3gl9 h ILE 17 Cb 0.25 0.89 0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3gl9 h ILE 17 CO -0.01 0.40 -0.82 0.58 0.00 0.00 0.00 178.15 178.30 3gl9 h VAL 18 N 0.84 1.39 -0.53 1.67 2.07 -1.10 -3.36 116.25 117.23 3gl9 h VAL 18 Ca 0.15 -2.24 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 3gl9 h VAL 18 Cb 0.55 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 3gl9 h VAL 18 CO 0.03 0.66 0.01 -1.28 0.02 0.00 0.00 177.57 177.02 3gl9 h SER 19 N 0.00 0.85 -0.39 0.57 0.87 -0.96 -2.72 113.55 111.77 3gl9 h SER 19 Ca -0.11 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 3gl9 h SER 19 Cb 1.53 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.25 3gl9 h SER 19 CO 0.16 0.90 0.13 0.15 -0.53 0.00 0.00 176.83 177.64 3gl9 h PHE 20 N 0.82 0.61 -0.22 2.24 3.57 -1.72 -1.14 116.94 121.11 3gl9 h PHE 20 Ca 0.16 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gl9 h PHE 20 Cb 0.47 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3gl9 h PHE 20 CO 0.03 0.57 0.06 -0.91 -2.23 0.00 0.00 178.31 175.82 3gl9 h ASN 21 N 0.48 0.04 -0.52 0.41 -0.26 -1.66 0.27 115.58 114.34 3gl9 h ASN 21 Ca 0.13 0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.92 3gl9 h ASN 21 Cb 0.23 0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 3gl9 h ASN 21 CO -0.01 0.05 0.31 -0.07 -1.06 0.00 0.00 177.43 176.66 3gl9 h LEU 22 N 0.15 0.50 -1.00 1.61 4.07 -1.40 -2.52 115.31 116.72 3gl9 h LEU 22 Ca 0.10 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 3gl9 h LEU 22 Cb 0.08 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3gl9 h LEU 22 CO -0.12 0.35 -0.36 0.11 -1.08 0.00 0.00 178.44 177.35 3gl9 h LYS 23 N 0.62 0.27 0.08 1.13 1.57 -0.59 0.35 116.57 119.99 3gl9 h LYS 23 Ca 0.21 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3gl9 h LYS 23 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3gl9 h LYS 23 CO -0.09 0.60 -0.06 0.87 -0.57 0.00 0.00 179.45 180.20 3gl9 h LYS 24 N 0.23 -0.13 0.00 3.15 1.79 -0.29 -1.75 116.57 119.58 3gl9 h LYS 24 Ca 0.03 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3gl9 h LYS 24 Cb 0.74 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3gl9 h LYS 24 CO 0.06 -0.09 0.00 0.39 -1.08 0.00 0.00 179.45 178.73 3gl9 n GLU 25 N -5.16 0.05 0.00 3.15 -0.58 -0.97 -4.81 120.64 112.32 3gl9 n GLU 25 Ca -0.08 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3gl9 n GLU 25 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3gl9 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gl9 n GLY 26 N -0.89 0.77 3.86 0.62 0.00 -0.66 -5.09 105.19 103.80 3gl9 n GLY 26 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3gl9 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gl9 s TYR 27 N -2.00 3.39 -0.24 1.61 2.02 0.09 -4.63 117.35 117.58 3gl9 s TYR 27 Ca 0.00 1.11 -0.14 0.00 -0.37 0.00 0.00 57.07 57.68 3gl9 s TYR 27 Cb 0.00 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3gl9 s TYR 27 CO 0.00 0.13 0.31 -1.21 -1.57 0.00 0.00 175.55 173.21 3gl9 s GLU 28 N -3.00 4.07 -0.12 -0.62 2.02 -0.39 -3.62 118.70 117.03 3gl9 s GLU 28 Ca 0.52 -0.02 -0.12 0.00 0.02 0.00 0.00 54.97 55.37 3gl9 s GLU 28 Cb -0.10 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 3gl9 s GLU 28 CO 0.19 -0.12 0.26 0.08 0.02 0.00 0.00 175.26 175.69 3gl9 s VAL 29 N 1.59 5.31 -0.07 2.63 1.01 -1.26 -1.03 120.40 128.58 3gl9 s VAL 29 Ca 0.14 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.64 3gl9 s VAL 29 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3gl9 s VAL 29 CO 0.08 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 3gl9 s ILE 30 N -0.20 2.64 0.21 2.22 1.09 0.23 -4.95 121.20 122.44 3gl9 s ILE 30 Ca 0.16 -0.86 0.09 0.00 -1.10 0.00 0.00 60.65 58.95 3gl9 s ILE 30 Cb -0.13 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.21 3gl9 s ILE 30 CO 0.05 0.57 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.80 3gl9 s GLU 31 N -0.30 2.18 -0.09 2.79 2.02 -1.26 -0.18 118.70 123.86 3gl9 s GLU 31 Ca 0.02 -1.32 -0.06 0.00 0.02 0.00 0.00 54.97 53.63 3gl9 s GLU 31 Cb -0.13 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 31.96 3gl9 s GLU 31 CO 0.03 0.41 0.23 0.00 0.02 0.00 0.00 175.26 175.94 3gl9 s ALA 32 N -1.96 -0.54 -0.49 5.21 0.00 -0.53 -4.89 121.76 118.55 3gl9 s ALA 32 Ca 0.28 0.84 0.24 0.00 0.00 0.00 0.00 51.96 53.32 3gl9 s ALA 32 Cb -0.08 -0.53 0.37 0.00 0.00 0.00 0.00 23.12 22.89 3gl9 s ALA 32 CO 0.17 -0.16 1.47 1.49 0.00 0.00 0.00 175.76 178.74 3gl9 h GLU 33 N 6.69 0.00 -3.11 0.00 4.81 -1.86 -2.33 114.58 118.78 3gl9 h GLU 33 Ca -0.35 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3gl9 h GLU 33 Cb 1.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3gl9 h GLU 33 CO 0.38 0.00 0.19 0.54 -0.73 0.00 0.00 179.01 179.39 3gl9 s ASN 34 N -5.32 -0.12 0.26 1.04 2.20 -1.26 -3.37 114.94 108.37 3gl9 s ASN 34 Ca 0.06 -0.83 -0.04 0.00 -0.94 0.00 0.00 52.86 51.11 3gl9 s ASN 34 Cb 0.09 0.75 0.36 0.00 -2.00 0.00 0.00 41.25 40.45 3gl9 s ASN 34 CO 0.69 -1.43 1.91 1.23 -2.94 0.00 0.00 177.10 176.56 3gl9 h GLY 35 N 2.03 1.46 0.92 0.45 0.00 -1.60 -2.04 103.07 104.29 3gl9 h GLY 35 Ca -0.24 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 3gl9 h GLY 35 CO 0.30 0.41 -0.03 -1.61 0.00 0.00 0.00 176.54 175.61 3gl9 h GLN 36 N 1.24 -0.09 -0.82 4.80 4.15 -1.90 -1.45 115.11 121.05 3gl9 h GLN 36 Ca 0.40 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.89 3gl9 h GLN 36 Cb 0.03 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 3gl9 h GLN 36 CO -0.13 0.02 0.50 0.82 -1.93 0.00 0.00 178.83 178.11 3gl9 h ILE 37 N -0.17 1.02 -0.01 2.39 2.04 -1.94 -0.97 117.51 119.87 3gl9 h ILE 37 Ca -0.01 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3gl9 h ILE 37 Cb 0.15 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 3gl9 h ILE 37 CO 0.02 0.17 -0.25 0.00 0.00 0.00 0.00 178.15 178.08 3gl9 h ALA 38 N 1.39 -0.32 -0.39 1.87 0.00 -1.10 -1.51 119.26 119.20 3gl9 h ALA 38 Ca 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3gl9 h ALA 38 Cb 0.18 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gl9 h ALA 38 CO -0.18 -0.75 0.05 -0.07 0.00 0.00 0.00 179.25 178.31 3gl9 h LEU 39 N -0.38 0.56 -0.11 0.00 3.38 -0.80 -0.21 115.31 117.73 3gl9 h LEU 39 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gl9 h LEU 39 Cb 0.47 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3gl9 h LEU 39 CO -0.23 0.59 0.07 -0.33 0.09 0.00 0.00 178.44 178.64 3gl9 h GLU 40 N 0.58 0.15 -0.47 1.13 5.08 -0.89 -2.00 114.58 118.15 3gl9 h GLU 40 Ca 0.13 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3gl9 h GLU 40 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3gl9 h GLU 40 CO 0.00 0.10 0.13 0.87 -1.00 0.00 0.00 179.01 179.11 3gl9 h LYS 41 N 0.15 0.70 0.00 2.33 1.57 -0.81 -2.19 116.57 118.32 3gl9 h LYS 41 Ca 0.04 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3gl9 h LYS 41 Cb -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3gl9 h LYS 41 CO -0.01 0.63 0.00 -0.07 -0.57 0.00 0.00 179.45 179.43 3gl9 h LEU 42 N 0.69 0.00 -0.52 2.94 3.38 -0.68 -2.13 115.31 118.99 3gl9 h LEU 42 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gl9 h LEU 42 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gl9 h LEU 42 CO -0.01 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.29 3gl9 h SER 43 N 0.00 0.00 0.02 -0.43 4.64 -0.70 -3.32 113.55 113.76 3gl9 h SER 43 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3gl9 h SER 43 Cb 0.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3gl9 h SER 43 CO 0.00 0.00 -2.40 -0.62 -0.87 0.00 0.00 176.83 172.94 3gl9 n GLU 44 N -2.66 0.67 -3.88 4.77 4.71 -0.82 -5.06 120.64 118.37 3gl9 n GLU 44 Ca 0.03 0.12 -0.09 0.00 -0.01 0.00 0.00 57.16 57.21 3gl9 n GLU 44 Cb 0.38 -1.54 -0.07 0.00 -1.01 0.00 0.00 31.44 29.20 3gl9 n GLU 44 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 3gl9 s PHE 45 N -2.52 0.21 -0.33 -0.32 -0.71 -1.08 -5.14 117.98 108.10 3gl9 s PHE 45 Ca -0.27 -0.61 -0.03 0.00 -1.04 0.00 0.00 56.93 54.98 3gl9 s PHE 45 Cb 0.08 -0.04 0.06 0.00 -1.21 0.00 0.00 43.02 41.91 3gl9 s PHE 45 CO 0.68 -0.61 0.06 0.99 -1.34 0.00 0.00 175.22 174.99 3gl9 s THR 46 N -3.89 3.23 0.81 -4.49 2.01 -1.26 -4.35 115.64 107.69 3gl9 s THR 46 Ca 0.09 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.55 3gl9 s THR 46 Cb 0.04 -2.90 0.08 0.00 0.01 0.00 0.00 72.50 69.72 3gl9 s THR 46 CO -0.08 -0.21 1.09 -2.16 -0.69 0.00 0.00 174.62 172.57 3gl9 s PRO 47 N 1.27 1.99 0.44 4.92 0.04 -1.26 -4.95 135.00 137.45 3gl9 s PRO 47 Ca -0.02 0.90 0.24 0.00 0.04 0.00 0.00 61.00 62.16 3gl9 s PRO 47 Cb -0.20 -1.89 0.60 0.00 0.04 0.00 0.00 34.50 33.05 3gl9 s PRO 47 CO -0.01 -1.75 1.69 -0.44 0.04 0.00 0.00 177.00 176.54 3gl9 h ASP 48 N -1.19 0.00 -4.24 6.66 3.32 -1.42 -3.46 116.42 116.09 3gl9 h ASP 48 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 3gl9 h ASP 48 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 3gl9 h ASP 48 CO 0.55 0.11 0.07 -0.22 -1.72 0.00 0.00 179.24 178.03 3gl9 s LEU 49 N -6.31 -0.48 -0.13 1.55 2.96 -1.18 -4.43 118.68 110.66 3gl9 s LEU 49 Ca 0.04 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.08 3gl9 s LEU 49 Cb 0.07 2.27 -0.02 0.00 0.50 0.00 0.00 46.19 49.01 3gl9 s LEU 49 CO 0.65 -0.32 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.64 3gl9 s ILE 50 N -0.05 3.47 -0.24 6.68 1.01 -0.56 -0.90 121.20 130.62 3gl9 s ILE 50 Ca -0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3gl9 s ILE 50 Cb -0.04 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3gl9 s ILE 50 CO 0.03 0.52 0.10 -0.69 0.00 0.00 0.00 174.94 174.90 3gl9 s VAL 51 N 0.18 4.69 0.26 2.92 1.01 0.52 -1.08 120.40 128.91 3gl9 s VAL 51 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3gl9 s VAL 51 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3gl9 s VAL 51 CO 0.04 0.36 0.06 -0.11 0.00 0.00 0.00 175.10 175.44 3gl9 n LEU 52 N 4.53 0.00 0.07 3.92 7.94 0.20 -0.17 117.00 133.48 3gl9 n LEU 52 Ca -0.16 -1.86 0.00 0.00 -1.11 0.00 0.00 56.01 52.88 3gl9 n LEU 52 Cb 0.52 0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.95 3gl9 n LEU 52 CO 0.33 -0.28 0.00 -0.38 -1.11 0.00 0.00 177.39 175.95 3gl9 n ILE 54 N -0.61 0.78 -2.57 1.96 2.08 -1.26 -0.88 119.36 118.85 3gl9 n ILE 54 Ca -0.06 0.26 -0.42 0.00 0.56 0.00 0.00 62.75 63.08 3gl9 n ILE 54 Cb 0.37 -1.22 -0.02 0.00 -0.75 0.00 0.00 39.64 38.02 3gl9 n ILE 54 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3gl9 s MET 55 N -1.85 3.45 -0.01 0.38 -1.94 -1.26 -0.75 119.30 117.32 3gl9 s MET 55 Ca 0.00 0.17 -0.06 0.00 -1.71 0.00 0.00 55.69 54.09 3gl9 s MET 55 Cb 0.00 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.80 3gl9 s MET 55 CO 0.00 -1.77 0.13 -1.64 -0.01 0.00 0.00 175.02 171.73 3gl9 s MET 56 N 5.11 0.41 0.86 2.03 -1.94 -1.26 -4.71 119.30 119.81 3gl9 s MET 56 Ca 0.42 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.99 3gl9 s MET 56 Cb -0.08 0.17 0.11 0.00 2.01 0.00 0.00 34.83 37.05 3gl9 s MET 56 CO 0.24 -0.09 1.12 -1.25 -0.01 0.00 0.00 175.02 175.02 3gl9 s PRO 57 N -1.10 1.52 0.00 2.03 0.04 -1.26 -3.84 135.00 132.40 3gl9 s PRO 57 Ca -0.12 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3gl9 s PRO 57 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3gl9 s PRO 57 CO 0.01 -1.97 0.00 0.28 0.04 0.00 0.00 177.00 175.36 3gl9 n VAL 58 N -3.64 0.00 -3.67 -0.36 0.31 -1.26 -4.47 118.33 105.23 3gl9 n VAL 58 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3gl9 n VAL 58 Cb 0.58 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.39 3gl9 n VAL 58 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3gl9 s MET 59 N 0.00 0.26 0.78 5.55 -2.45 -1.26 -4.90 119.30 117.28 3gl9 s MET 59 Ca 0.00 0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 55.18 3gl9 s MET 59 Cb 0.00 0.09 0.09 0.00 1.25 0.00 0.00 34.83 36.27 3gl9 s MET 59 CO 0.00 -0.24 1.12 0.16 1.05 0.00 0.00 175.02 177.11 3gl9 s ASP 60 N 2.18 4.44 0.32 1.11 -4.77 -1.25 -1.92 116.67 116.79 3gl9 s ASP 60 Ca -0.03 0.50 0.09 0.00 -3.30 0.00 0.00 52.55 49.81 3gl9 s ASP 60 Cb -0.11 -1.00 0.54 0.00 -1.09 0.00 0.00 42.92 41.26 3gl9 s ASP 60 CO -0.11 -1.88 1.74 1.23 0.70 0.00 0.00 175.17 176.85 3gl9 h GLY 61 N -0.91 0.16 0.99 2.12 0.00 -1.28 -1.65 103.07 102.49 3gl9 h GLY 61 Ca -0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3gl9 h GLY 61 CO 0.58 0.13 0.29 0.74 0.00 0.00 0.00 176.54 178.28 3gl9 h PHE 62 N 0.12 0.66 -0.60 5.60 0.05 -1.95 -0.87 116.94 119.95 3gl9 h PHE 62 Ca 0.01 -0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.72 3gl9 h PHE 62 Cb 0.78 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 3gl9 h PHE 62 CO 0.01 0.47 0.07 1.15 -0.18 0.00 0.00 178.31 179.83 3gl9 h THR 63 N 0.66 1.26 -0.21 -1.55 2.02 -1.87 -1.71 112.91 111.51 3gl9 h THR 63 Ca 0.18 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.36 3gl9 h THR 63 Cb 0.01 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3gl9 h THR 63 CO -0.03 0.38 -0.07 0.58 0.37 0.00 0.00 175.52 176.74 3gl9 h VAL 64 N 0.91 0.74 -0.67 3.16 2.07 -1.03 -1.60 116.25 119.83 3gl9 h VAL 64 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 3gl9 h VAL 64 Cb 0.46 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3gl9 h VAL 64 CO 0.02 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.92 3gl9 h LEU 65 N -0.03 0.58 -0.43 2.57 3.38 -0.83 -0.29 115.31 120.25 3gl9 h LEU 65 Ca 0.11 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3gl9 h LEU 65 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3gl9 h LEU 65 CO -0.24 0.38 0.27 0.50 0.09 0.00 0.00 178.44 179.44 3gl9 h LYS 66 N 0.72 0.53 -0.12 1.13 3.64 -0.94 -2.49 116.57 119.03 3gl9 h LYS 66 Ca 0.30 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 3gl9 h LYS 66 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3gl9 h LYS 66 CO -0.17 0.35 -0.43 0.87 -2.27 0.00 0.00 179.45 177.80 3gl9 h LYS 67 N 0.54 0.28 -0.89 1.90 1.57 -0.75 -2.67 116.57 116.55 3gl9 h LYS 67 Ca 0.17 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gl9 h LYS 67 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3gl9 h LYS 67 CO -0.06 0.66 0.55 -0.07 -0.57 0.00 0.00 179.45 179.96 3gl9 h LEU 68 N 0.23 1.06 -1.30 2.94 3.38 -0.71 -3.00 115.31 117.91 3gl9 h LEU 68 Ca 0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3gl9 h LEU 68 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gl9 h LEU 68 CO 0.07 0.81 -0.28 -0.61 0.09 0.00 0.00 178.44 178.51 3gl9 h GLN 69 N 1.22 0.00 -0.01 1.13 5.75 -1.10 -2.64 115.11 119.47 3gl9 h GLN 69 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 3gl9 h GLN 69 Cb -0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.48 3gl9 h GLN 69 CO -0.06 0.28 -0.03 -0.85 -2.65 0.00 0.00 178.83 175.52 3gl9 n GLU 70 N -3.67 1.23 -4.90 1.69 0.28 -1.13 -4.76 120.64 109.38 3gl9 n GLU 70 Ca -0.01 -0.50 -0.32 0.00 -0.16 0.00 0.00 57.16 56.16 3gl9 n GLU 70 Cb 0.40 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.62 3gl9 n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3gl9 s LYS 71 N -2.11 3.14 0.26 3.44 -0.14 -1.15 -5.01 119.74 118.16 3gl9 s LYS 71 Ca 0.39 -0.81 -0.03 0.00 -1.36 0.00 0.00 55.97 54.15 3gl9 s LYS 71 Cb 0.21 -2.45 0.53 0.00 -1.68 0.00 0.00 37.83 34.44 3gl9 s LYS 71 CO 0.38 0.12 1.67 1.49 -0.76 0.00 0.00 175.35 178.25 3gl9 h GLU 72 N 6.93 0.23 0.00 1.68 4.22 -1.86 -1.05 114.58 124.73 3gl9 h GLU 72 Ca -0.25 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.17 3gl9 h GLU 72 Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3gl9 h GLU 72 CO 0.52 0.15 0.00 0.39 -2.18 0.00 0.00 179.01 177.89 3gl9 n GLU 73 N -5.20 0.15 -0.02 1.92 4.71 -1.26 -3.89 120.64 117.06 3gl9 n GLU 73 Ca 0.16 0.28 -0.01 0.00 -0.01 0.00 0.00 57.16 57.58 3gl9 n GLU 73 Cb 0.52 -1.73 -0.04 0.00 -1.01 0.00 0.00 31.44 29.18 3gl9 n GLU 73 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3gl9 n TRP 74 N -2.00 0.00 0.30 -0.32 8.01 -0.54 -4.75 117.44 118.14 3gl9 n TRP 74 Ca 0.04 0.00 0.17 0.00 -1.31 0.00 0.00 57.50 56.40 3gl9 n TRP 74 Cb 0.29 -0.20 0.78 0.00 -2.01 0.00 0.00 31.31 30.17 3gl9 n TRP 74 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3gl9 h LYS 75 N 0.00 0.00 -0.01 -0.99 2.10 -0.87 -2.61 116.57 114.18 3gl9 h LYS 75 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3gl9 h LYS 75 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3gl9 h LYS 75 CO 0.00 0.00 -0.38 0.54 -2.00 0.00 0.00 179.45 177.61 3gl9 n ARG 76 N -2.86 1.15 -2.16 0.07 1.74 -1.26 -4.91 116.66 108.43 3gl9 n ARG 76 Ca -0.00 -0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 55.78 3gl9 n ARG 76 Cb 0.21 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3gl9 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gl9 s ILE 77 N -2.46 3.66 0.32 0.55 1.01 -0.99 -4.97 121.20 118.34 3gl9 s ILE 77 Ca 0.21 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 3gl9 s ILE 77 Cb 0.19 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 3gl9 s ILE 77 CO 0.54 -0.03 1.32 -2.16 0.00 0.00 0.00 174.94 174.62 3gl9 s PRO 78 N 2.93 4.34 -0.12 2.79 0.04 -1.26 -4.89 135.00 138.83 3gl9 s PRO 78 Ca 0.66 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.96 3gl9 s PRO 78 Cb -0.32 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3gl9 s PRO 78 CO 0.27 -0.22 -0.17 0.08 0.04 0.00 0.00 177.00 177.00 3gl9 s VAL 79 N -1.03 1.64 -0.28 -0.36 1.01 -1.26 -1.49 120.40 118.63 3gl9 s VAL 79 Ca 0.50 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 3gl9 s VAL 79 Cb -0.40 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3gl9 s VAL 79 CO 0.52 0.47 0.30 -0.63 0.00 0.00 0.00 175.10 175.77 3gl9 s ILE 80 N 1.01 5.22 -0.10 2.22 1.01 -0.24 -0.65 121.20 129.68 3gl9 s ILE 80 Ca -0.05 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 3gl9 s ILE 80 Cb -0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3gl9 s ILE 80 CO -0.03 0.16 0.93 -0.69 0.00 0.00 0.00 174.94 175.31 3gl9 s VAL 81 N 1.95 4.85 -0.22 2.92 1.01 0.37 -0.63 120.40 130.65 3gl9 s VAL 81 Ca 0.12 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.00 3gl9 s VAL 81 Cb -0.16 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.03 3gl9 s VAL 81 CO 0.11 0.07 -0.09 -0.22 0.00 0.00 0.00 175.10 174.96 3gl9 s LEU 82 N 1.73 2.55 -0.00 3.92 2.96 -0.06 -0.06 118.68 129.72 3gl9 s LEU 82 Ca 0.46 -1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 3gl9 s LEU 82 Cb -0.18 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3gl9 s LEU 82 CO 0.19 -0.18 0.11 0.28 -1.32 0.00 0.00 176.35 175.43 3gl9 s THR 83 N 1.34 0.08 -0.07 3.68 -1.32 -0.52 -4.36 115.64 114.47 3gl9 s THR 83 Ca -0.04 -0.65 0.29 0.00 -1.21 0.00 0.00 61.69 60.09 3gl9 s THR 83 Cb -0.18 -0.38 0.36 0.00 -1.51 0.00 0.00 72.50 70.79 3gl9 s THR 83 CO -0.07 -0.36 1.84 0.00 -2.21 0.00 0.00 174.62 173.83 3gl9 h ALA 84 N 4.50 0.99 -2.79 11.08 0.00 -1.87 0.13 119.26 131.31 3gl9 h ALA 84 Ca -0.30 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 3gl9 h ALA 84 Cb 1.20 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.02 3gl9 h ALA 84 CO 0.41 0.04 0.60 0.15 0.00 0.00 0.00 179.25 180.44 3gl9 s LYS 85 N -3.51 4.44 0.27 0.00 1.02 -1.26 -4.71 119.74 115.99 3gl9 s LYS 85 Ca 0.03 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.08 3gl9 s LYS 85 Cb 0.08 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 3gl9 s LYS 85 CO 0.59 -0.11 0.04 0.41 -0.92 0.00 0.00 175.35 175.36 3gl9 n GLY 86 N 1.48 3.69 0.00 -3.33 0.00 -1.26 -4.84 105.19 100.93 3gl9 n GLY 86 Ca 0.02 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3gl9 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gl9 n GLY 87 N 1.78 2.35 0.29 -0.02 0.00 -1.26 -4.61 105.19 103.72 3gl9 n GLY 87 Ca -0.09 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 3gl9 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gl9 h GLU 88 N 0.00 0.97 -0.49 1.61 5.08 -2.00 -2.67 114.58 117.08 3gl9 h GLU 88 Ca 0.00 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3gl9 h GLU 88 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3gl9 h GLU 88 CO 0.00 1.05 0.31 1.49 -1.00 0.00 0.00 179.01 180.86 3gl9 h GLU 89 N 0.85 0.61 -0.49 2.33 4.81 -1.99 -0.58 114.58 120.11 3gl9 h GLU 89 Ca 0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3gl9 h GLU 89 Cb 0.71 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3gl9 h GLU 89 CO 0.05 0.40 0.26 0.22 -0.73 0.00 0.00 179.01 179.22 3gl9 h ASP 90 N 0.63 0.62 -0.02 1.04 3.58 -1.80 -1.31 116.42 119.16 3gl9 h ASP 90 Ca 0.18 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.54 3gl9 h ASP 90 Cb -0.04 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3gl9 h ASP 90 CO -0.06 0.55 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.76 3gl9 h GLU 91 N 0.65 -0.02 -0.37 0.28 4.81 -1.16 -1.47 114.58 117.30 3gl9 h GLU 91 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gl9 h GLU 91 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3gl9 h GLU 91 CO -0.03 -0.01 0.21 1.03 -0.73 0.00 0.00 179.01 179.49 3gl9 h SER 92 N -0.02 0.45 -0.23 1.04 0.87 -1.03 -1.32 113.55 113.31 3gl9 h SER 92 Ca 0.01 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3gl9 h SER 92 Cb 0.04 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3gl9 h SER 92 CO -0.03 0.39 0.11 0.25 -0.53 0.00 0.00 176.83 177.01 3gl9 h LEU 93 N 0.47 0.29 -0.41 2.23 5.85 -1.14 0.12 115.31 122.72 3gl9 h LEU 93 Ca 0.13 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3gl9 h LEU 93 Cb 0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3gl9 h LEU 93 CO -0.02 0.33 0.26 0.00 -0.34 0.00 0.00 178.44 178.67 3gl9 h ALA 94 N 0.97 0.52 -0.58 1.25 0.00 -1.11 -1.95 119.26 118.37 3gl9 h ALA 94 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3gl9 h ALA 94 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gl9 h ALA 94 CO -0.01 -0.05 -0.03 -0.07 0.00 0.00 0.00 179.25 179.09 3gl9 h LEU 95 N 0.53 1.02 -2.33 0.00 3.38 -1.06 -1.92 115.31 114.93 3gl9 h LEU 95 Ca 0.16 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3gl9 h LEU 95 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3gl9 h LEU 95 CO -0.05 1.09 -0.03 0.77 0.09 0.00 0.00 178.44 180.30 3gl9 h SER 96 N 0.94 0.00 -0.15 -0.43 4.64 -0.31 -1.46 113.55 116.78 3gl9 h SER 96 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gl9 h SER 96 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3gl9 h SER 96 CO 0.04 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 3gl9 n LEU 97 N -3.35 3.10 0.00 5.97 4.77 -0.77 -4.95 117.00 121.77 3gl9 n LEU 97 Ca -0.02 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 3gl9 n LEU 97 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3gl9 n LEU 97 CO 0.25 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3gl9 n GLY 98 N 1.40 1.09 3.77 -0.72 0.00 -0.55 -4.43 105.19 105.75 3gl9 n GLY 98 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3gl9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gl9 s ALA 99 N -2.00 3.52 0.10 4.61 0.00 -0.76 -4.70 121.76 122.53 3gl9 s ALA 99 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 3gl9 s ALA 99 Cb 0.00 -3.52 -0.21 0.00 0.00 0.00 0.00 23.12 19.38 3gl9 s ALA 99 CO 0.00 -0.79 1.20 -0.09 0.00 0.00 0.00 175.76 176.08 3gl9 h ARG 100 N 3.25 0.32 -2.80 0.00 9.65 -1.23 -3.41 114.38 120.16 3gl9 h ARG 100 Ca -0.50 -0.46 -0.12 0.00 -1.10 0.00 0.00 59.98 57.80 3gl9 h ARG 100 Cb 1.23 0.16 -0.23 0.00 -1.39 0.00 0.00 29.97 29.74 3gl9 h ARG 100 CO 0.65 1.18 -0.24 0.21 2.80 0.00 0.00 179.97 184.57 3gl9 s LYS 101 N -2.88 0.54 -0.18 0.20 2.36 -1.18 -5.04 119.74 113.56 3gl9 s LYS 101 Ca -0.05 0.37 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 3gl9 s LYS 101 Cb 0.08 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 37.12 3gl9 s LYS 101 CO 0.88 -0.10 -0.17 0.08 1.55 0.00 0.00 175.35 177.60 3gl9 s VAL 102 N -0.21 2.40 0.06 4.02 1.01 -1.26 -0.48 120.40 125.94 3gl9 s VAL 102 Ca -0.04 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3gl9 s VAL 102 Cb -0.03 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3gl9 s VAL 102 CO 0.02 0.51 -0.22 -0.04 0.00 0.00 0.00 175.10 175.37 3gl9 s MET 103 N 1.21 1.42 -0.07 2.72 -1.94 0.92 -4.98 119.30 118.59 3gl9 s MET 103 Ca 0.03 -1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 52.93 3gl9 s MET 103 Cb -0.14 -1.59 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 3gl9 s MET 103 CO -0.08 0.40 0.18 0.50 -0.01 0.00 0.00 175.02 176.01 3gl9 s ARG 104 N -1.32 3.49 0.16 2.03 3.52 -1.26 -1.44 118.95 124.13 3gl9 s ARG 104 Ca 0.08 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.25 3gl9 s ARG 104 Cb -0.09 -3.15 -0.07 0.00 -1.56 0.00 0.00 34.95 30.07 3gl9 s ARG 104 CO 0.02 0.73 0.90 0.15 -0.81 0.00 0.00 175.30 176.29 3gl9 s LYS 105 N -1.38 4.72 0.11 5.12 1.02 0.45 -2.96 119.74 126.81 3gl9 s LYS 105 Ca 0.21 1.38 -0.30 0.00 0.02 0.00 0.00 55.97 57.27 3gl9 s LYS 105 Cb -0.13 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 3gl9 s LYS 105 CO 0.10 0.40 1.18 -1.25 -0.92 0.00 0.00 175.35 174.86 3gl9 s PRO 106 N -0.65 4.47 0.32 -1.68 0.04 -1.26 -4.64 135.00 131.60 3gl9 s PRO 106 Ca 0.42 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 3gl9 s PRO 106 Cb -0.24 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 3gl9 s PRO 106 CO 0.29 -0.17 0.73 -0.59 0.04 0.00 0.00 177.00 177.30 3gl9 s PHE 107 N 0.61 3.38 -0.32 0.56 -0.12 -1.16 -5.04 117.98 115.89 3gl9 s PHE 107 Ca 0.56 1.19 -0.29 0.00 -0.05 0.00 0.00 56.93 58.34 3gl9 s PHE 107 Cb -0.30 -2.52 0.00 0.00 -0.63 0.00 0.00 43.02 39.58 3gl9 s PHE 107 CO 0.32 0.10 1.27 0.45 -0.05 0.00 0.00 175.22 177.31 3gl9 s SER 108 N -2.29 6.68 0.28 1.98 0.15 -1.26 -4.94 113.70 114.30 3gl9 s SER 108 Ca 0.54 1.13 0.03 0.00 0.70 0.00 0.00 55.95 58.34 3gl9 s SER 108 Cb -0.10 -2.54 0.64 0.00 -1.71 0.00 0.00 66.02 62.30 3gl9 s SER 108 CO 0.18 -1.08 1.78 -0.65 1.20 0.00 0.00 173.24 174.66 3gl9 h PRO 109 N 9.22 0.71 -0.22 5.44 0.11 -1.98 0.23 132.00 145.50 3gl9 h PRO 109 Ca -0.25 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3gl9 h PRO 109 Cb 1.09 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3gl9 h PRO 109 CO 1.04 0.47 -0.10 0.66 -0.21 0.00 0.00 178.00 179.86 3gl9 h SER 110 N 0.74 0.48 -0.62 -2.05 4.64 -1.99 -0.34 113.55 114.40 3gl9 h SER 110 Ca 0.52 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3gl9 h SER 110 Cb 0.76 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 3gl9 h SER 110 CO -0.36 0.77 0.19 1.56 -0.87 0.00 0.00 176.83 178.12 3gl9 h GLN 111 N 0.18 1.00 0.30 4.77 4.20 -1.80 -1.77 115.11 121.99 3gl9 h GLN 111 Ca 0.05 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3gl9 h GLN 111 Cb 0.59 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3gl9 h GLN 111 CO 0.03 0.86 -0.14 0.35 -0.67 0.00 0.00 178.83 179.26 3gl9 h PHE 112 N 0.96 -0.37 -0.73 2.96 3.57 -0.45 -2.63 116.94 120.24 3gl9 h PHE 112 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3gl9 h PHE 112 Cb 0.29 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3gl9 h PHE 112 CO 0.02 -0.06 0.46 0.82 -2.23 0.00 0.00 178.31 177.33 3gl9 h ILE 113 N -0.71 1.20 -0.89 1.41 2.04 -1.09 -0.48 117.51 119.00 3gl9 h ILE 113 Ca -0.04 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3gl9 h ILE 113 Cb 0.48 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 3gl9 h ILE 113 CO 0.07 0.20 0.57 -0.08 0.00 0.00 0.00 178.15 178.90 3gl9 h GLU 114 N 0.99 1.03 -0.12 2.37 4.81 -1.35 0.20 114.58 122.52 3gl9 h GLU 114 Ca 0.26 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3gl9 h GLU 114 Cb -0.07 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.07 3gl9 h GLU 114 CO -0.05 0.68 -0.10 1.49 -0.73 0.00 0.00 179.01 180.29 3gl9 h GLU 115 N 1.06 0.27 0.02 1.92 4.57 -1.05 -2.57 114.58 118.81 3gl9 h GLU 115 Ca 0.37 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 3gl9 h GLU 115 Cb 0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3gl9 h GLU 115 CO -0.15 0.67 -0.22 0.28 -1.18 0.00 0.00 179.01 178.42 3gl9 h VAL 116 N -0.12 0.50 -0.71 0.32 2.07 -0.65 -0.81 116.25 116.85 3gl9 h VAL 116 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3gl9 h VAL 116 Cb 0.62 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3gl9 h VAL 116 CO 0.03 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.04 3gl9 h LYS 117 N -0.36 0.50 -0.40 1.57 1.57 -0.65 -0.61 116.57 118.20 3gl9 h LYS 117 Ca 0.05 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3gl9 h LYS 117 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3gl9 h LYS 117 CO -0.18 0.33 0.03 1.25 -0.57 0.00 0.00 179.45 180.31 3gl9 h HIS 118 N 0.51 0.73 0.00 -1.35 2.76 -1.08 -2.36 115.15 114.36 3gl9 h HIS 118 Ca 0.36 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 3gl9 h HIS 118 Cb 0.46 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 3gl9 h HIS 118 CO -0.14 0.74 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.04 3gl9 h LEU 119 N 0.52 0.00 -0.03 0.26 3.38 -0.44 -2.05 115.31 116.95 3gl9 h LEU 119 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gl9 h LEU 119 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gl9 h LEU 119 CO 0.01 0.12 -0.21 0.18 0.09 0.00 0.00 178.44 178.63 3gl9 n LEU 120 N -3.28 0.25 -0.71 1.67 4.77 -0.30 -4.96 117.00 114.45 3gl9 n LEU 120 Ca 0.00 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3gl9 n LEU 120 Cb 0.36 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 3gl9 n LEU 120 CO 0.30 0.06 0.53 0.59 -1.33 0.00 0.00 177.39 177.54