#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 4.44 -0.19 -1.46 1.02 -1.26 -4.89 119.74 117.41 3gl9 s LYS 3 Ca 0.00 1.16 -0.03 0.00 0.02 0.00 0.00 55.97 57.12 3gl9 s LYS 3 Cb 0.00 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3gl9 s LYS 3 CO 0.00 0.28 -0.07 0.15 -0.92 0.00 0.00 175.35 174.79 3gl9 s LYS 4 N -2.15 3.39 -0.15 1.68 3.01 -1.26 -0.91 119.74 123.35 3gl9 s LYS 4 Ca 0.49 -0.64 -0.01 0.00 -1.01 0.00 0.00 55.97 54.80 3gl9 s LYS 4 Cb -0.17 -2.88 -0.01 0.00 -1.01 0.00 0.00 37.83 33.76 3gl9 s LYS 4 CO 0.22 -0.04 -0.12 0.08 0.51 0.00 0.00 175.35 176.00 3gl9 s VAL 5 N 1.05 3.05 -0.27 3.17 1.01 0.29 -0.49 120.40 128.21 3gl9 s VAL 5 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3gl9 s VAL 5 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3gl9 s VAL 5 CO -0.01 0.51 0.37 -0.22 0.00 0.00 0.00 175.10 175.75 3gl9 s LEU 6 N 0.60 4.06 -0.30 3.92 2.96 -0.32 -0.91 118.68 128.70 3gl9 s LEU 6 Ca -0.07 0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3gl9 s LEU 6 Cb -0.15 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 3gl9 s LEU 6 CO 0.03 -0.19 0.11 -0.22 -1.32 0.00 0.00 176.35 174.76 3gl9 s LEU 7 N 2.07 3.91 -0.32 -0.68 2.96 0.72 -0.52 118.68 126.83 3gl9 s LEU 7 Ca 0.15 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3gl9 s LEU 7 Cb -0.16 -1.94 0.08 0.00 0.50 0.00 0.00 46.19 44.67 3gl9 s LEU 7 CO 0.10 -0.17 0.01 -0.69 -1.32 0.00 0.00 176.35 174.28 3gl9 s VAL 8 N 1.56 2.56 -0.24 1.68 1.01 0.87 -0.52 120.40 127.33 3gl9 s VAL 8 Ca 0.04 -1.86 -0.26 0.00 0.00 0.00 0.00 61.98 59.90 3gl9 s VAL 8 Cb -0.17 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.65 3gl9 s VAL 8 CO 0.04 -0.32 0.80 -0.62 0.00 0.00 0.00 175.10 175.00 3gl9 s ASP 9 N 1.18 -0.65 0.00 3.32 -1.08 -0.52 -4.36 116.67 114.56 3gl9 s ASP 9 Ca 0.00 1.17 0.29 0.00 -0.52 0.00 0.00 52.55 53.50 3gl9 s ASP 9 Cb -0.20 1.16 1.21 0.00 -1.46 0.00 0.00 42.92 43.63 3gl9 s ASP 9 CO -0.05 -0.28 1.91 -0.90 0.52 0.00 0.00 175.17 176.37 3gl9 n ASP 10 N 2.25 0.03 -4.55 -0.34 5.75 -1.22 -4.23 116.55 114.24 3gl9 n ASP 10 Ca -0.14 0.43 -0.42 0.00 -0.01 0.00 0.00 54.79 54.65 3gl9 n ASP 10 Cb 0.56 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 3gl9 n ASP 10 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3gl9 s SER 11 N -2.98 6.36 0.37 -1.12 0.15 -1.26 -4.94 113.70 110.28 3gl9 s SER 11 Ca 0.14 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.81 3gl9 s SER 11 Cb 0.19 -2.31 0.77 0.00 -1.71 0.00 0.00 66.02 62.97 3gl9 s SER 11 CO 0.54 -0.61 1.98 0.00 1.20 0.00 0.00 173.24 176.35 3gl9 h ALA 12 N 8.57 1.71 -0.14 5.45 0.00 -1.99 -0.52 119.26 132.35 3gl9 h ALA 12 Ca -0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gl9 h ALA 12 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gl9 h ALA 12 CO 0.83 0.20 0.03 0.28 0.00 0.00 0.00 179.25 180.58 3gl9 h VAL 13 N 0.70 1.21 0.09 0.00 2.07 -1.99 -1.60 116.25 116.73 3gl9 h VAL 13 Ca 0.27 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3gl9 h VAL 13 Cb 0.18 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gl9 h VAL 13 CO -0.08 0.20 -0.15 0.25 0.02 0.00 0.00 177.57 177.81 3gl9 h LEU 14 N 0.01 -0.41 -0.92 2.57 7.12 -1.91 -2.86 115.31 118.91 3gl9 h LEU 14 Ca 0.04 0.05 0.05 0.00 0.13 0.00 0.00 57.88 58.15 3gl9 h LEU 14 Cb 0.29 0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.51 3gl9 h LEU 14 CO 0.00 -0.22 0.58 0.03 -0.13 0.00 0.00 178.44 178.71 3gl9 h ARG 15 N -0.29 1.06 -0.57 1.25 3.08 -1.00 -0.46 114.38 117.45 3gl9 h ARG 15 Ca 0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3gl9 h ARG 15 Cb 0.31 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3gl9 h ARG 15 CO -0.08 0.70 0.37 -0.22 -1.07 0.00 0.00 179.97 179.67 3gl9 h LYS 16 N 1.09 0.74 -0.10 0.04 3.64 -1.22 0.27 116.57 121.03 3gl9 h LYS 16 Ca 0.38 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3gl9 h LYS 16 Cb 0.10 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3gl9 h LYS 16 CO -0.15 0.49 -0.03 0.82 -2.27 0.00 0.00 179.45 178.31 3gl9 h ILE 17 N 0.76 1.30 -0.29 2.00 2.04 -1.15 -1.76 117.51 120.39 3gl9 h ILE 17 Ca 0.21 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3gl9 h ILE 17 Cb -0.07 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3gl9 h ILE 17 CO -0.06 0.27 0.11 0.58 0.00 0.00 0.00 178.15 179.06 3gl9 h VAL 18 N -0.14 1.19 -0.88 1.67 2.07 -1.04 -1.50 116.25 117.61 3gl9 h VAL 18 Ca 0.02 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3gl9 h VAL 18 Cb 0.44 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3gl9 h VAL 18 CO 0.01 0.20 0.59 0.77 0.02 0.00 0.00 177.57 179.15 3gl9 h SER 19 N 0.32 1.02 -0.16 0.57 4.64 -0.98 -0.64 113.55 118.32 3gl9 h SER 19 Ca 0.10 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3gl9 h SER 19 Cb 0.20 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3gl9 h SER 19 CO -0.01 0.73 0.03 0.15 -0.87 0.00 0.00 176.83 176.87 3gl9 h PHE 20 N 1.20 0.05 -0.74 4.77 3.57 -1.12 0.29 116.94 124.96 3gl9 h PHE 20 Ca 0.32 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.89 3gl9 h PHE 20 Cb -0.14 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 3gl9 h PHE 20 CO -0.01 0.01 0.44 -0.91 -2.23 0.00 0.00 178.31 175.61 3gl9 h ASN 21 N 0.09 0.67 -0.09 0.41 2.35 -0.71 -2.15 115.58 116.15 3gl9 h ASN 21 Ca 0.07 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3gl9 h ASN 21 Cb 0.07 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.33 3gl9 h ASN 21 CO -0.10 0.43 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.62 3gl9 h LEU 22 N 0.80 0.53 -1.25 1.61 3.38 -0.74 -3.24 115.31 116.40 3gl9 h LEU 22 Ca 0.32 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3gl9 h LEU 22 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3gl9 h LEU 22 CO -0.17 1.08 0.36 0.11 0.09 0.00 0.00 178.44 179.91 3gl9 h LYS 23 N 0.01 0.87 0.00 1.13 1.57 -0.37 -1.07 116.57 118.71 3gl9 h LYS 23 Ca -0.03 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3gl9 h LYS 23 Cb 1.06 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3gl9 h LYS 23 CO 0.09 0.63 -0.03 0.87 -0.57 0.00 0.00 179.45 180.44 3gl9 h LYS 24 N 0.88 0.00 -0.00 3.15 1.79 -1.42 0.55 116.57 121.52 3gl9 h LYS 24 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3gl9 h LYS 24 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gl9 h LYS 24 CO -0.04 0.03 -0.21 0.39 -1.08 0.00 0.00 179.45 178.53 3gl9 n GLU 25 N -3.26 0.13 -0.14 3.15 -0.58 -0.44 -4.93 120.64 114.57 3gl9 n GLU 25 Ca -0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3gl9 n GLU 25 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 1.46 0.83 3.86 0.62 0.00 0.19 -5.07 105.19 107.08 3gl9 n GLY 26 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.08 3.46 -0.16 1.61 2.02 -0.98 -3.05 117.35 118.17 3gl9 s TYR 27 Ca 0.00 1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 57.81 3gl9 s TYR 27 Cb 0.00 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3gl9 s TYR 27 CO 0.00 -0.17 0.05 -1.21 -1.57 0.00 0.00 175.55 172.65 3gl9 s GLU 28 N -3.88 3.74 -0.14 -0.62 2.02 -0.09 -4.07 118.70 115.66 3gl9 s GLU 28 Ca 0.53 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 55.16 3gl9 s GLU 28 Cb -0.10 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 3gl9 s GLU 28 CO 0.31 0.39 -0.09 0.08 0.02 0.00 0.00 175.26 175.97 3gl9 s VAL 29 N 0.02 3.38 -0.10 2.63 1.01 -1.26 -0.55 120.40 125.53 3gl9 s VAL 29 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3gl9 s VAL 29 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3gl9 s VAL 29 CO 0.01 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.81 3gl9 s ILE 30 N 0.42 2.65 0.16 2.22 1.09 -0.09 -4.98 121.20 122.67 3gl9 s ILE 30 Ca -0.08 -0.82 0.06 0.00 -1.10 0.00 0.00 60.65 58.71 3gl9 s ILE 30 Cb -0.15 -2.06 -0.04 0.00 -1.06 0.00 0.00 42.46 39.15 3gl9 s ILE 30 CO 0.04 0.55 0.07 -1.61 -0.10 0.00 0.00 174.94 173.89 3gl9 s GLU 31 N 0.17 2.69 -0.05 2.79 2.02 -1.26 -0.20 118.70 124.86 3gl9 s GLU 31 Ca -0.10 -0.95 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 3gl9 s GLU 31 Cb -0.16 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.57 3gl9 s GLU 31 CO 0.06 0.48 0.10 0.00 0.02 0.00 0.00 175.26 175.92 3gl9 s ALA 32 N -1.70 -0.17 -0.37 5.21 0.00 0.33 -4.89 121.76 120.17 3gl9 s ALA 32 Ca 0.29 0.48 0.25 0.00 0.00 0.00 0.00 51.96 52.98 3gl9 s ALA 32 Cb -0.10 -0.32 0.62 0.00 0.00 0.00 0.00 23.12 23.31 3gl9 s ALA 32 CO 0.21 -0.12 1.71 0.93 0.00 0.00 0.00 175.76 178.49 3gl9 h GLU 33 N 6.94 0.00 -3.07 0.00 5.08 -1.86 -1.38 114.58 120.30 3gl9 h GLU 33 Ca -0.39 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3gl9 h GLU 33 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3gl9 h GLU 33 CO 0.45 0.00 0.22 0.54 -1.00 0.00 0.00 179.01 179.22 3gl9 s ASN 34 N -5.84 -0.09 0.25 1.42 2.20 -1.26 -3.37 114.94 108.25 3gl9 s ASN 34 Ca 0.06 -0.90 -0.00 0.00 -0.94 0.00 0.00 52.86 51.08 3gl9 s ASN 34 Cb 0.07 0.78 0.31 0.00 -2.00 0.00 0.00 41.25 40.41 3gl9 s ASN 34 CO 0.63 -1.50 1.68 1.23 -2.94 0.00 0.00 177.10 176.20 3gl9 h GLY 35 N 2.02 0.66 0.99 0.45 0.00 -1.57 -2.10 103.07 103.51 3gl9 h GLY 35 Ca -0.26 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 3gl9 h GLY 35 CO 0.32 0.50 -0.09 -1.61 0.00 0.00 0.00 176.54 175.67 3gl9 h GLN 36 N 0.53 -0.23 -0.76 4.80 5.75 -1.89 -1.29 115.11 122.02 3gl9 h GLN 36 Ca 0.08 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.69 3gl9 h GLN 36 Cb 0.70 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.22 3gl9 h GLN 36 CO 0.05 -0.14 0.40 0.82 -2.65 0.00 0.00 178.83 177.31 3gl9 h ILE 37 N -0.25 0.86 -0.15 2.39 2.04 -1.95 -1.39 117.51 119.06 3gl9 h ILE 37 Ca -0.02 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3gl9 h ILE 37 Cb 0.20 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3gl9 h ILE 37 CO 0.04 0.12 -0.12 0.00 0.00 0.00 0.00 178.15 178.19 3gl9 h ALA 38 N 1.45 -0.00 -0.34 1.87 0.00 -0.97 -1.19 119.26 120.09 3gl9 h ALA 38 Ca 0.38 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3gl9 h ALA 38 Cb 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3gl9 h ALA 38 CO -0.27 -0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 178.29 3gl9 h LEU 39 N -0.13 0.52 -0.33 0.00 3.38 -0.68 0.92 115.31 119.00 3gl9 h LEU 39 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3gl9 h LEU 39 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3gl9 h LEU 39 CO -0.23 0.63 0.18 -0.33 0.09 0.00 0.00 178.44 178.79 3gl9 h GLU 40 N 0.51 0.45 -0.62 1.13 5.08 -0.90 -1.52 114.58 118.71 3gl9 h GLU 40 Ca 0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3gl9 h GLU 40 Cb 0.42 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3gl9 h GLU 40 CO 0.02 0.37 0.17 0.87 -1.00 0.00 0.00 179.01 179.44 3gl9 h LYS 41 N 0.41 0.98 0.00 2.33 1.57 -0.68 -2.90 116.57 118.28 3gl9 h LYS 41 Ca 0.12 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3gl9 h LYS 41 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3gl9 h LYS 41 CO -0.02 0.88 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.67 3gl9 h LEU 42 N 0.90 0.00 -1.04 2.94 3.38 -0.62 -0.75 115.31 120.12 3gl9 h LEU 42 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3gl9 h LEU 42 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gl9 h LEU 42 CO -0.00 0.00 -0.01 0.77 0.09 0.00 0.00 178.44 179.29 3gl9 h SER 43 N 0.00 0.00 0.07 -0.43 4.64 -1.06 -3.33 113.55 113.44 3gl9 h SER 43 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3gl9 h SER 43 Cb 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3gl9 h SER 43 CO 0.00 0.01 -2.05 -0.62 -0.87 0.00 0.00 176.83 173.29 3gl9 n GLU 44 N -3.10 0.69 -3.91 4.77 -0.58 -0.33 -5.03 120.64 113.14 3gl9 n GLU 44 Ca 0.02 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 56.95 3gl9 n GLU 44 Cb 0.37 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 3gl9 n GLU 44 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 3gl9 s PHE 45 N -2.52 0.27 -0.36 -0.32 -0.71 -0.92 -5.13 117.98 108.30 3gl9 s PHE 45 Ca -0.28 -0.70 -0.06 0.00 -1.04 0.00 0.00 56.93 54.86 3gl9 s PHE 45 Cb 0.08 -0.11 0.06 0.00 -1.21 0.00 0.00 43.02 41.83 3gl9 s PHE 45 CO 0.68 -0.56 0.13 0.99 -1.34 0.00 0.00 175.22 175.11 3gl9 s THR 46 N -3.90 3.70 0.82 -4.49 2.01 -1.26 -4.33 115.64 108.19 3gl9 s THR 46 Ca 0.09 -1.32 -0.11 0.00 0.31 0.00 0.00 61.69 60.66 3gl9 s THR 46 Cb 0.05 -3.18 0.08 0.00 0.01 0.00 0.00 72.50 69.46 3gl9 s THR 46 CO -0.08 -0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 172.49 3gl9 s PRO 47 N 1.36 1.92 0.45 4.92 0.04 -1.26 -4.95 135.00 137.48 3gl9 s PRO 47 Ca -0.00 0.96 0.25 0.00 0.04 0.00 0.00 61.00 62.25 3gl9 s PRO 47 Cb -0.21 -1.87 0.59 0.00 0.04 0.00 0.00 34.50 33.06 3gl9 s PRO 47 CO 0.01 -1.82 1.70 -0.44 0.04 0.00 0.00 177.00 176.49 3gl9 h ASP 48 N -1.25 0.00 -4.49 6.66 3.32 -1.18 -3.46 116.42 116.03 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 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 3gl9 h ASP 48 CO 0.54 0.06 0.09 -0.22 -1.72 0.00 0.00 179.24 177.99 3gl9 s LEU 49 N -6.26 -0.47 -0.12 1.55 2.96 -1.17 -4.45 118.68 110.71 3gl9 s LEU 49 Ca 0.05 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3gl9 s LEU 49 Cb 0.06 2.30 -0.02 0.00 0.50 0.00 0.00 46.19 49.04 3gl9 s LEU 49 CO 0.64 -0.41 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.50 3gl9 s ILE 50 N -0.43 3.01 -0.23 6.68 1.01 -0.43 -1.17 121.20 129.64 3gl9 s ILE 50 Ca -0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3gl9 s ILE 50 Cb -0.03 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3gl9 s ILE 50 CO 0.05 0.53 0.03 -0.69 0.00 0.00 0.00 174.94 174.86 3gl9 s VAL 51 N 0.22 4.03 0.29 2.92 1.01 0.33 -0.95 120.40 128.24 3gl9 s VAL 51 Ca -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3gl9 s VAL 51 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3gl9 s VAL 51 CO 0.05 0.38 0.07 -0.11 0.00 0.00 0.00 175.10 175.49 3gl9 n LEU 52 N 4.77 0.00 0.08 3.92 7.94 0.39 -0.09 117.00 134.01 3gl9 n LEU 52 Ca -0.17 -2.06 0.00 0.00 -1.11 0.00 0.00 56.01 52.67 3gl9 n LEU 52 Cb 0.51 0.56 0.00 0.00 0.53 0.00 0.00 43.42 45.02 3gl9 n LEU 52 CO 0.31 -0.31 0.00 -0.38 -1.11 0.00 0.00 177.39 175.89 3gl9 n ILE 54 N -0.66 0.87 -2.72 1.96 5.41 -1.26 -0.67 119.36 122.28 3gl9 n ILE 54 Ca -0.06 0.29 -0.43 0.00 1.00 0.00 0.00 62.75 63.54 3gl9 n ILE 54 Cb 0.41 -1.27 -0.03 0.00 -0.71 0.00 0.00 39.64 38.04 3gl9 n ILE 54 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3gl9 s MET 55 N -1.98 3.59 -0.02 0.38 -1.94 -1.26 -0.77 119.30 117.29 3gl9 s MET 55 Ca 0.00 0.29 -0.14 0.00 -1.71 0.00 0.00 55.69 54.13 3gl9 s MET 55 Cb 0.00 -3.93 0.02 0.00 2.01 0.00 0.00 34.83 32.93 3gl9 s MET 55 CO 0.00 -1.33 0.30 -1.64 -0.01 0.00 0.00 175.02 172.33 3gl9 s MET 56 N 4.11 0.62 0.91 2.03 -1.94 -1.26 -4.68 119.30 119.09 3gl9 s MET 56 Ca 0.41 -0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.14 3gl9 s MET 56 Cb -0.09 0.28 0.14 0.00 2.01 0.00 0.00 34.83 37.17 3gl9 s MET 56 CO 0.28 -0.16 1.11 -2.14 -0.01 0.00 0.00 175.02 174.10 3gl9 s PRO 57 N -1.17 1.05 0.00 2.03 0.02 -1.26 -4.00 135.00 131.66 3gl9 s PRO 57 Ca -0.12 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.20 3gl9 s PRO 57 Cb -0.05 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.72 3gl9 s PRO 57 CO 0.04 -2.53 0.00 0.28 -0.33 0.00 0.00 177.00 174.46 3gl9 n VAL 58 N -4.14 0.00 -3.68 3.83 0.31 -1.26 -4.43 118.33 108.96 3gl9 n VAL 58 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 3gl9 n VAL 58 Cb 0.53 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.28 0.73 5.55 -2.45 -1.26 -4.90 119.30 117.25 3gl9 s MET 59 Ca 0.00 0.82 -0.06 0.00 -1.25 0.00 0.00 55.69 55.20 3gl9 s MET 59 Cb 0.00 0.08 0.09 0.00 1.25 0.00 0.00 34.83 36.25 3gl9 s MET 59 CO 0.00 -0.22 1.04 0.16 1.05 0.00 0.00 175.02 177.04 3gl9 s ASP 60 N 2.05 4.49 0.32 1.11 -4.77 -1.26 -1.80 116.67 116.81 3gl9 s ASP 60 Ca -0.04 0.20 0.10 0.00 -3.30 0.00 0.00 52.55 49.51 3gl9 s ASP 60 Cb -0.11 -0.72 0.52 0.00 -1.09 0.00 0.00 42.92 41.52 3gl9 s ASP 60 CO -0.11 -1.79 1.72 1.23 0.70 0.00 0.00 175.17 176.92 3gl9 h GLY 61 N -0.68 0.10 0.93 2.12 0.00 -1.30 -1.77 103.07 102.46 3gl9 h GLY 61 Ca -0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3gl9 h GLY 61 CO 0.52 0.09 0.13 0.74 0.00 0.00 0.00 176.54 178.02 3gl9 h PHE 62 N 0.08 0.43 -0.59 5.60 0.05 -1.95 -0.49 116.94 120.07 3gl9 h PHE 62 Ca 0.00 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3gl9 h PHE 62 Cb 0.84 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.63 3gl9 h PHE 62 CO 0.01 0.40 0.33 1.15 -0.18 0.00 0.00 178.31 180.01 3gl9 h THR 63 N 0.33 1.19 -0.31 -1.55 2.02 -1.90 -1.53 112.91 111.17 3gl9 h THR 63 Ca 0.10 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3gl9 h THR 63 Cb 0.14 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 3gl9 h THR 63 CO -0.01 0.20 -0.04 0.58 0.37 0.00 0.00 175.52 176.62 3gl9 h VAL 64 N 0.79 0.73 -0.58 3.16 2.07 -1.12 -1.64 116.25 119.66 3gl9 h VAL 64 Ca 0.21 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3gl9 h VAL 64 Cb 0.04 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3gl9 h VAL 64 CO -0.03 0.01 0.33 -0.07 0.02 0.00 0.00 177.57 177.83 3gl9 h LEU 65 N 0.04 0.53 -0.39 2.57 3.38 -0.69 -0.40 115.31 120.33 3gl9 h LEU 65 Ca 0.15 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3gl9 h LEU 65 Cb 0.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3gl9 h LEU 65 CO -0.29 0.36 0.19 0.11 0.09 0.00 0.00 178.44 178.90 3gl9 h LYS 66 N 0.65 0.38 -0.22 1.13 1.57 -1.01 -2.52 116.57 116.55 3gl9 h LYS 66 Ca 0.24 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3gl9 h LYS 66 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3gl9 h LYS 66 CO -0.12 0.25 -0.30 0.87 -0.57 0.00 0.00 179.45 179.58 3gl9 h LYS 67 N 0.39 0.45 -0.88 3.15 1.57 -0.76 -2.54 116.57 117.95 3gl9 h LYS 67 Ca 0.17 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3gl9 h LYS 67 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3gl9 h LYS 67 CO -0.12 0.70 0.46 -0.07 -0.57 0.00 0.00 179.45 179.85 3gl9 h LEU 68 N 0.39 1.12 -1.53 2.94 3.38 -0.87 -2.86 115.31 117.88 3gl9 h LEU 68 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3gl9 h LEU 68 Cb 0.72 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gl9 h LEU 68 CO 0.06 0.92 -0.24 1.56 0.09 0.00 0.00 178.44 180.83 3gl9 h GLN 69 N 1.24 0.00 0.00 1.13 1.08 -1.03 -2.41 115.11 115.13 3gl9 h GLN 69 Ca 0.31 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.45 3gl9 h GLN 69 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3gl9 h GLN 69 CO -0.04 0.24 -0.27 0.93 -0.95 0.00 0.00 178.83 178.73 3gl9 h GLU 70 N 0.00 0.00 -5.64 1.46 5.08 -1.32 -3.45 114.58 110.71 3gl9 h GLU 70 Ca -0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3gl9 h GLU 70 Cb 0.52 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.52 3gl9 h GLU 70 CO 0.03 0.27 -0.75 0.15 -1.00 0.00 0.00 179.01 177.71 3gl9 s LYS 71 N -3.63 3.15 0.24 2.33 1.02 -1.16 -5.01 119.74 116.68 3gl9 s LYS 71 Ca 0.01 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 3gl9 s LYS 71 Cb 0.10 -2.60 0.46 0.00 -0.52 0.00 0.00 37.83 35.27 3gl9 s LYS 71 CO 0.65 0.36 1.69 0.93 -0.92 0.00 0.00 175.35 178.06 3gl9 h GLU 72 N 6.24 0.27 0.00 1.68 4.39 -1.86 -0.91 114.58 124.39 3gl9 h GLU 72 Ca -0.33 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 3gl9 h GLU 72 Cb 1.19 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3gl9 h GLU 72 CO 0.55 0.18 -0.08 0.93 -1.16 0.00 0.00 179.01 179.42 3gl9 h GLU 73 N 0.28 0.00 0.00 2.33 3.07 -1.95 -3.31 114.58 115.01 3gl9 h GLU 73 Ca 0.41 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.15 3gl9 h GLU 73 Cb 0.70 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 3gl9 h GLU 73 CO -0.50 0.08 -1.59 0.91 -1.40 0.00 0.00 179.01 176.52 3gl9 n TRP 74 N -3.45 0.00 0.30 4.33 8.01 -0.58 -4.71 117.44 121.34 3gl9 n TRP 74 Ca -0.02 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.31 3gl9 n TRP 74 Cb 0.23 -0.40 0.63 0.00 -2.01 0.00 0.00 31.31 29.77 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 -0.02 -0.99 2.10 -0.69 -2.34 116.57 114.63 3gl9 h LYS 75 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3gl9 h LYS 75 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3gl9 h LYS 75 CO 0.01 0.00 -0.36 0.54 -2.00 0.00 0.00 179.45 177.64 3gl9 n ARG 76 N -2.47 1.48 -2.10 0.07 3.00 -1.26 -4.90 116.66 110.47 3gl9 n ARG 76 Ca 0.00 -1.08 -0.42 0.00 -0.01 0.00 0.00 57.85 56.34 3gl9 n ARG 76 Cb 0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 32.46 31.18 3gl9 n ARG 76 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gl9 s ILE 77 N -2.21 3.50 0.28 0.55 1.01 -0.88 -4.95 121.20 118.50 3gl9 s ILE 77 Ca 0.18 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 3gl9 s ILE 77 Cb 0.17 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 3gl9 s ILE 77 CO 0.48 -0.02 1.34 -2.16 0.00 0.00 0.00 174.94 174.58 3gl9 s PRO 78 N 2.81 4.34 -0.12 2.79 0.04 -1.26 -4.87 135.00 138.73 3gl9 s PRO 78 Ca 0.68 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.94 3gl9 s PRO 78 Cb -0.34 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3gl9 s PRO 78 CO 0.28 -0.26 -0.18 0.08 0.04 0.00 0.00 177.00 176.96 3gl9 s VAL 79 N -0.53 1.72 -0.31 -0.36 1.01 -1.26 -1.31 120.40 119.36 3gl9 s VAL 79 Ca 0.54 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 3gl9 s VAL 79 Cb -0.39 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3gl9 s VAL 79 CO 0.47 0.48 0.24 -0.63 0.00 0.00 0.00 175.10 175.66 3gl9 s ILE 80 N 0.89 5.28 -0.19 2.22 1.01 -0.12 -0.63 121.20 129.65 3gl9 s ILE 80 Ca -0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 3gl9 s ILE 80 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3gl9 s ILE 80 CO -0.01 0.08 1.05 -0.69 0.00 0.00 0.00 174.94 175.37 3gl9 s VAL 81 N 1.79 4.67 -0.21 2.92 1.01 0.21 -0.46 120.40 130.32 3gl9 s VAL 81 Ca 0.08 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.07 3gl9 s VAL 81 Cb -0.17 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.96 3gl9 s VAL 81 CO 0.11 -0.13 -0.16 -0.22 0.00 0.00 0.00 175.10 174.70 3gl9 s LEU 82 N 2.91 2.68 -0.04 3.92 2.96 0.15 0.03 118.68 131.29 3gl9 s LEU 82 Ca 0.46 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 3gl9 s LEU 82 Cb -0.16 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.04 3gl9 s LEU 82 CO 0.10 -0.08 0.26 0.28 -1.32 0.00 0.00 176.35 175.58 3gl9 s THR 83 N 1.21 0.05 -0.19 3.68 -1.32 -0.56 -4.36 115.64 114.15 3gl9 s THR 83 Ca -0.01 -0.38 0.29 0.00 -1.21 0.00 0.00 61.69 60.38 3gl9 s THR 83 Cb -0.16 -0.50 0.33 0.00 -1.51 0.00 0.00 72.50 70.66 3gl9 s THR 83 CO -0.10 -0.21 1.85 0.00 -2.21 0.00 0.00 174.62 173.96 3gl9 h ALA 84 N 4.54 1.00 -2.50 11.08 0.00 -1.88 0.41 119.26 131.92 3gl9 h ALA 84 Ca -0.29 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 3gl9 h ALA 84 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gl9 h ALA 84 CO 0.38 0.00 0.60 0.15 0.00 0.00 0.00 179.25 180.38 3gl9 s LYS 85 N -3.48 4.41 0.51 0.00 1.02 -1.26 -4.73 119.74 116.21 3gl9 s LYS 85 Ca 0.03 1.84 0.08 0.00 0.02 0.00 0.00 55.97 57.94 3gl9 s LYS 85 Cb 0.09 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3gl9 s LYS 85 CO 0.50 -0.29 0.61 0.20 -0.92 0.00 0.00 175.35 175.44 3gl9 s GLY 86 N 1.06 1.96 0.00 -3.33 0.00 -1.26 -4.85 107.32 100.90 3gl9 s GLY 86 Ca 0.60 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3gl9 s GLY 86 CO 0.29 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.31 3gl9 n GLY 87 N -1.96 2.90 0.35 0.20 0.00 -1.26 -4.70 105.19 100.72 3gl9 n GLY 87 Ca 0.09 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 1.03 -0.41 1.61 5.08 -1.99 -2.82 114.58 117.08 3gl9 h GLU 88 Ca 0.00 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3gl9 h GLU 88 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3gl9 h GLU 88 CO 0.00 0.71 0.06 1.49 -1.00 0.00 0.00 179.01 180.27 3gl9 h GLU 89 N 1.05 0.68 -0.39 2.33 4.81 -1.99 -0.10 114.58 120.98 3gl9 h GLU 89 Ca 0.28 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3gl9 h GLU 89 Cb -0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3gl9 h GLU 89 CO -0.05 0.73 0.23 -0.44 -0.73 0.00 0.00 179.01 178.75 3gl9 h ASP 90 N 0.53 0.46 0.37 1.04 3.32 -1.82 -0.46 116.42 119.86 3gl9 h ASP 90 Ca 0.12 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3gl9 h ASP 90 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gl9 h ASP 90 CO 0.01 0.38 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.65 3gl9 h GLU 91 N 0.51 -0.48 -0.41 3.56 4.81 -1.30 -0.56 114.58 120.71 3gl9 h GLU 91 Ca 0.14 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3gl9 h GLU 91 Cb -0.00 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3gl9 h GLU 91 CO -0.03 -0.30 0.17 1.03 -0.73 0.00 0.00 179.01 179.16 3gl9 h SER 92 N -0.52 0.23 0.18 1.04 0.87 -0.94 -1.31 113.55 113.10 3gl9 h SER 92 Ca -0.05 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3gl9 h SER 92 Cb 0.39 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3gl9 h SER 92 CO 0.08 0.17 -0.10 0.25 -0.53 0.00 0.00 176.83 176.70 3gl9 h LEU 93 N 0.36 -0.25 -0.33 2.23 5.85 -0.97 -0.11 115.31 122.09 3gl9 h LEU 93 Ca 0.18 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3gl9 h LEU 93 Cb 0.13 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3gl9 h LEU 93 CO -0.15 -0.17 0.06 0.00 -0.34 0.00 0.00 178.44 177.83 3gl9 h ALA 94 N 0.55 0.34 -0.75 1.25 0.00 -0.87 -1.14 119.26 118.65 3gl9 h ALA 94 Ca -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gl9 h ALA 94 Cb 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gl9 h ALA 94 CO 0.02 -0.35 0.36 -0.07 0.00 0.00 0.00 179.25 179.21 3gl9 h LEU 95 N 0.17 0.97 -2.23 0.00 3.38 -1.21 -1.99 115.31 114.41 3gl9 h LEU 95 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gl9 h LEU 95 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gl9 h LEU 95 CO -0.21 0.83 -0.05 0.77 0.09 0.00 0.00 178.44 179.87 3gl9 h SER 96 N 1.05 0.00 -0.18 -0.43 4.64 -0.34 -0.78 113.55 117.51 3gl9 h SER 96 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gl9 h SER 96 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gl9 h SER 96 CO -0.03 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 3gl9 n LEU 97 N -3.74 2.25 0.00 5.97 4.77 -0.49 -4.95 117.00 120.80 3gl9 n LEU 97 Ca -0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 3gl9 n LEU 97 Cb 0.15 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3gl9 n LEU 97 CO 0.28 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3gl9 n GLY 98 N 1.26 1.02 3.77 -0.72 0.00 -0.30 -4.42 105.19 105.80 3gl9 n GLY 98 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 3.43 0.05 4.61 0.00 -0.80 -4.77 121.76 122.29 3gl9 s ALA 99 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 3gl9 s ALA 99 Cb 0.00 -3.57 -0.30 0.00 0.00 0.00 0.00 23.12 19.25 3gl9 s ALA 99 CO 0.00 -0.99 1.08 -0.09 0.00 0.00 0.00 175.76 175.76 3gl9 h ARG 100 N 2.85 0.49 -2.95 0.00 9.65 -1.22 -3.41 114.38 119.79 3gl9 h ARG 100 Ca -0.50 -0.76 -0.12 0.00 -1.10 0.00 0.00 59.98 57.49 3gl9 h ARG 100 Cb 1.24 0.27 -0.22 0.00 -1.39 0.00 0.00 29.97 29.88 3gl9 h ARG 100 CO 0.63 1.35 -0.27 0.21 2.80 0.00 0.00 179.97 184.70 3gl9 s LYS 101 N -2.76 0.59 -0.17 0.20 2.36 -1.15 -5.04 119.74 113.78 3gl9 s LYS 101 Ca -0.08 0.06 0.01 0.00 -2.55 0.00 0.00 55.97 53.41 3gl9 s LYS 101 Cb 0.05 0.27 0.01 0.00 -1.05 0.00 0.00 37.83 37.11 3gl9 s LYS 101 CO 0.92 -0.14 -0.17 0.08 1.55 0.00 0.00 175.35 177.59 3gl9 s VAL 102 N -0.80 2.35 -0.00 4.02 1.01 -1.26 -0.62 120.40 125.10 3gl9 s VAL 102 Ca -0.09 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3gl9 s VAL 102 Cb -0.04 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3gl9 s VAL 102 CO 0.03 0.52 -0.20 -0.04 0.00 0.00 0.00 175.10 175.41 3gl9 s MET 103 N 1.10 1.55 -0.01 2.72 -1.94 0.10 -4.98 119.30 117.84 3gl9 s MET 103 Ca 0.00 -0.76 -0.09 0.00 -1.71 0.00 0.00 55.69 53.13 3gl9 s MET 103 Cb -0.14 -1.53 -0.05 0.00 2.01 0.00 0.00 34.83 35.11 3gl9 s MET 103 CO -0.06 0.41 0.29 0.50 -0.01 0.00 0.00 175.02 176.15 3gl9 s ARG 104 N -0.62 3.65 0.14 2.03 3.52 -1.26 -1.50 118.95 124.90 3gl9 s ARG 104 Ca 0.07 0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.47 3gl9 s ARG 104 Cb -0.08 -3.12 -0.07 0.00 -1.56 0.00 0.00 34.95 30.12 3gl9 s ARG 104 CO -0.00 0.67 0.80 0.15 -0.81 0.00 0.00 175.30 176.11 3gl9 s LYS 105 N -1.50 4.59 0.21 5.12 1.02 0.14 -3.20 119.74 126.11 3gl9 s LYS 105 Ca 0.25 1.19 -0.30 0.00 0.02 0.00 0.00 55.97 57.13 3gl9 s LYS 105 Cb -0.14 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 3gl9 s LYS 105 CO 0.13 0.46 1.17 -1.25 -0.92 0.00 0.00 175.35 174.95 3gl9 s PRO 106 N -0.77 4.53 0.31 -1.68 0.04 -1.26 -4.63 135.00 131.53 3gl9 s PRO 106 Ca 0.38 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 3gl9 s PRO 106 Cb -0.23 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 3gl9 s PRO 106 CO 0.26 -0.02 0.62 -0.59 0.04 0.00 0.00 177.00 177.31 3gl9 s PHE 107 N -0.31 3.46 -0.28 0.56 -0.12 -1.19 -5.06 117.98 115.03 3gl9 s PHE 107 Ca 0.51 0.83 -0.26 0.00 -0.05 0.00 0.00 56.93 57.96 3gl9 s PHE 107 Cb -0.32 -2.25 0.00 0.00 -0.63 0.00 0.00 43.02 39.82 3gl9 s PHE 107 CO 0.38 0.12 0.89 0.45 -0.05 0.00 0.00 175.22 177.01 3gl9 s SER 108 N -2.92 6.82 0.28 1.98 0.15 -1.26 -4.96 113.70 113.78 3gl9 s SER 108 Ca 0.47 0.93 0.01 0.00 0.70 0.00 0.00 55.95 58.06 3gl9 s SER 108 Cb -0.11 -2.46 0.58 0.00 -1.71 0.00 0.00 66.02 62.33 3gl9 s SER 108 CO 0.28 -0.65 1.79 -0.65 1.20 0.00 0.00 173.24 175.20 3gl9 h PRO 109 N 7.91 0.75 -0.43 5.44 0.11 -1.98 0.62 132.00 144.42 3gl9 h PRO 109 Ca -0.22 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3gl9 h PRO 109 Cb 1.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3gl9 h PRO 109 CO 0.92 0.50 0.20 0.66 -0.21 0.00 0.00 178.00 180.07 3gl9 h SER 110 N 0.77 0.57 -0.40 -2.05 4.64 -1.99 0.23 113.55 115.33 3gl9 h SER 110 Ca 0.50 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.54 3gl9 h SER 110 Cb 0.66 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3gl9 h SER 110 CO -0.33 0.55 -0.30 1.56 -0.87 0.00 0.00 176.83 177.43 3gl9 h GLN 111 N 0.56 0.93 0.31 4.77 4.20 -1.85 -1.75 115.11 122.28 3gl9 h GLN 111 Ca 0.15 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 3gl9 h GLN 111 Cb 0.13 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3gl9 h GLN 111 CO -0.02 1.10 -0.15 0.35 -0.67 0.00 0.00 178.83 179.45 3gl9 h PHE 112 N 0.79 -0.38 -0.72 2.96 3.57 -0.72 -2.51 116.94 119.92 3gl9 h PHE 112 Ca 0.08 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3gl9 h PHE 112 Cb 0.88 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3gl9 h PHE 112 CO 0.06 -0.09 0.48 0.82 -2.23 0.00 0.00 178.31 177.34 3gl9 h ILE 113 N -0.66 1.15 -0.44 1.41 1.08 -1.01 0.10 117.51 119.14 3gl9 h ILE 113 Ca -0.04 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 3gl9 h ILE 113 Cb 0.46 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3gl9 h ILE 113 CO 0.07 0.17 0.24 -0.08 -0.69 0.00 0.00 178.15 177.86 3gl9 h GLU 114 N 0.93 0.48 -0.32 2.37 4.81 -1.26 0.92 114.58 122.51 3gl9 h GLU 114 Ca 0.27 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 3gl9 h GLU 114 Cb -0.04 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3gl9 h GLU 114 CO -0.07 0.32 -0.33 1.49 -0.73 0.00 0.00 179.01 179.69 3gl9 h GLU 115 N 0.49 0.78 0.40 1.92 4.57 -0.93 -1.98 114.58 119.83 3gl9 h GLU 115 Ca 0.18 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3gl9 h GLU 115 Cb 0.05 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3gl9 h GLU 115 CO -0.10 1.05 -0.26 0.28 -1.18 0.00 0.00 179.01 178.80 3gl9 h VAL 116 N 0.55 0.46 -0.57 0.32 2.07 -0.85 -0.98 116.25 117.24 3gl9 h VAL 116 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 3gl9 h VAL 116 Cb 0.91 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 3gl9 h VAL 116 CO 0.08 0.00 0.04 0.11 0.02 0.00 0.00 177.57 177.82 3gl9 h LYS 117 N -0.63 0.16 -0.09 1.57 1.57 -0.80 -0.56 116.57 117.78 3gl9 h LYS 117 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gl9 h LYS 117 Cb 0.53 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gl9 h LYS 117 CO 0.03 0.10 0.06 1.25 -0.57 0.00 0.00 179.45 180.32 3gl9 h HIS 118 N 0.16 0.11 0.00 -1.35 2.76 -1.17 -1.12 115.15 114.54 3gl9 h HIS 118 Ca 0.30 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 3gl9 h HIS 118 Cb 0.46 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3gl9 h HIS 118 CO -0.31 0.07 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.09 3gl9 h LEU 119 N 0.12 0.00 0.00 0.26 3.38 -0.58 -2.25 115.31 116.24 3gl9 h LEU 119 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3gl9 h LEU 119 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gl9 h LEU 119 CO -0.01 0.23 -0.52 -0.07 0.09 0.00 0.00 178.44 178.16 3gl9 h LEU 120 N 0.00 0.00 -1.02 1.67 3.38 -0.81 -3.48 115.31 115.04 3gl9 h LEU 120 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gl9 h LEU 120 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3gl9 h LEU 120 CO 0.03 0.50 0.00 0.59 0.09 0.00 0.00 178.44 179.65