#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbm s GLN 2 N 0.00 3.36 0.20 3.17 -0.21 -1.26 -0.44 119.66 124.48 2gbm s GLN 2 Ca 0.00 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.23 2gbm s GLN 2 Cb 0.00 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.84 2gbm s GLN 2 CO 0.00 0.76 -0.02 0.96 -2.12 0.00 0.00 175.29 174.87 2gbm s ILE 3 N -0.99 0.95 -0.04 1.08 -4.36 -0.80 -0.19 121.20 116.85 2gbm s ILE 3 Ca 0.15 -2.02 0.06 0.00 -0.26 0.00 0.00 60.65 58.58 2gbm s ILE 3 Cb -0.12 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 2gbm s ILE 3 CO 0.04 -0.43 -0.24 -0.36 0.24 0.00 0.00 174.94 174.19 2gbm s PHE 4 N -3.47 2.30 -0.11 1.37 0.08 0.08 -1.35 117.98 116.87 2gbm s PHE 4 Ca 0.25 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2gbm s PHE 4 Cb 0.05 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2gbm s PHE 4 CO 0.06 -0.15 -0.16 0.08 -0.10 0.00 0.00 175.22 174.95 2gbm s VAL 5 N -0.29 1.57 -0.22 -0.44 1.01 -0.02 0.00 120.40 122.01 2gbm s VAL 5 Ca 0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 2gbm s VAL 5 Cb -0.12 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2gbm s VAL 5 CO 0.02 0.46 0.72 -0.75 0.00 0.00 0.00 175.10 175.54 2gbm s LYS 6 N 1.00 4.19 0.69 2.72 2.20 0.02 -1.04 119.74 129.52 2gbm s LYS 6 Ca -0.06 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2gbm s LYS 6 Cb -0.15 -3.62 0.10 0.00 -1.51 0.00 0.00 37.83 32.66 2gbm s LYS 6 CO -0.02 -0.38 0.96 0.95 -0.36 0.00 0.00 175.35 176.49 2gbm s THR 7 N 2.39 2.27 0.49 3.43 -4.23 0.32 -0.96 115.64 119.36 2gbm s THR 7 Ca 0.31 -0.55 0.37 0.00 -1.18 0.00 0.00 61.69 60.65 2gbm s THR 7 Cb -0.16 -2.73 0.39 0.00 1.34 0.00 0.00 72.50 71.35 2gbm s THR 7 CO 0.09 0.00 2.22 -0.07 -0.54 0.00 0.00 174.62 176.32 2gbm h LEU 8 N -0.44 0.00 -0.39 4.79 3.38 -1.88 -0.84 115.31 119.93 2gbm h LEU 8 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2gbm h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2gbm h LEU 8 CO 0.45 0.03 -0.08 0.35 0.09 0.00 0.00 178.44 179.28 2gbm n THR 9 N -3.30 0.00 -0.27 0.22 -2.24 -1.26 -4.92 114.28 102.51 2gbm n THR 9 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2gbm n THR 9 Cb 0.15 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2gbm n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbm n GLY 10 N 1.21 0.89 3.84 3.38 0.00 -0.32 -5.06 105.19 109.14 2gbm n GLY 10 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2gbm n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gbm s LYS 11 N -0.59 4.04 -0.15 1.61 -2.85 -1.26 -4.76 119.74 115.78 2gbm s LYS 11 Ca 0.00 0.82 -0.02 0.00 -1.00 0.00 0.00 55.97 55.77 2gbm s LYS 11 Cb 0.00 -2.32 -0.02 0.00 -2.06 0.00 0.00 37.83 33.43 2gbm s LYS 11 CO 0.00 0.03 -0.08 0.99 0.10 0.00 0.00 175.35 176.39 2gbm s THR 12 N -2.16 3.47 -0.08 3.79 2.01 -1.26 -0.52 115.64 120.89 2gbm s THR 12 Ca 0.57 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.09 2gbm s THR 12 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2gbm s THR 12 CO 0.19 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.83 2gbm s ILE 13 N 0.46 2.81 -0.13 1.82 1.01 -0.21 -4.94 121.20 122.02 2gbm s ILE 13 Ca -0.06 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 2gbm s ILE 13 Cb -0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2gbm s ILE 13 CO 0.04 0.56 0.44 -0.89 0.00 0.00 0.00 174.94 175.09 2gbm s THR 14 N -0.20 5.21 0.09 2.92 2.01 -1.26 -0.84 115.64 123.56 2gbm s THR 14 Ca -0.01 0.87 0.10 0.00 0.31 0.00 0.00 61.69 62.96 2gbm s THR 14 Cb -0.13 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2gbm s THR 14 CO 0.03 0.33 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.28 2gbm s LEU 15 N 0.68 2.25 -0.25 4.42 1.43 -0.46 -5.00 118.68 121.75 2gbm s LEU 15 Ca 0.24 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2gbm s LEU 15 Cb -0.15 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 2gbm s LEU 15 CO 0.09 0.19 0.24 -1.83 0.23 0.00 0.00 176.35 175.27 2gbm s GLU 16 N -1.65 4.05 0.12 1.70 -1.05 -1.26 -1.91 118.70 118.71 2gbm s GLU 16 Ca 0.11 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 2gbm s GLU 16 Cb -0.10 -3.59 -0.04 0.00 -0.44 0.00 0.00 34.13 29.96 2gbm s GLU 16 CO 0.04 -0.07 0.01 0.14 0.95 0.00 0.00 175.26 176.33 2gbm s VAL 17 N 1.44 0.38 0.22 1.83 -7.23 0.42 -4.93 120.40 112.52 2gbm s VAL 17 Ca 0.11 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.46 2gbm s VAL 17 Cb -0.15 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2gbm s VAL 17 CO 0.08 -0.62 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.32 2gbm s GLU 18 N -3.96 2.02 0.46 4.82 -1.05 -1.26 0.37 118.70 120.10 2gbm s GLU 18 Ca 0.19 -1.41 0.21 0.00 -0.15 0.00 0.00 54.97 53.81 2gbm s GLU 18 Cb 0.07 -2.07 1.20 0.00 -0.44 0.00 0.00 34.13 32.88 2gbm s GLU 18 CO -0.01 0.40 1.91 -1.35 0.95 0.00 0.00 175.26 177.16 2gbm h PRO 19 N 2.55 0.26 0.00 -4.83 0.11 -1.97 -0.63 132.00 127.50 2gbm h PRO 19 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gbm h PRO 19 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2gbm h PRO 19 CO 0.56 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 2gbm n SER 20 N -4.44 0.00 -4.75 -2.05 3.41 -1.26 -0.99 113.62 103.54 2gbm n SER 20 Ca 0.16 -0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 2gbm n SER 20 Cb 0.67 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 2gbm n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbm s ASP 21 N -2.51 6.93 0.67 4.04 1.01 -0.24 -4.77 116.67 121.80 2gbm s ASP 21 Ca 0.27 2.48 -0.13 0.00 0.71 0.00 0.00 52.55 55.88 2gbm s ASP 21 Cb 0.18 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 2gbm s ASP 21 CO 0.40 -0.44 1.07 0.42 0.21 0.00 0.00 175.17 176.82 2gbm s THR 22 N -0.65 3.79 0.27 -1.27 -4.23 -1.26 -1.39 115.64 110.91 2gbm s THR 22 Ca 0.51 0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 61.67 2gbm s THR 22 Cb -0.37 -3.30 0.21 0.00 1.34 0.00 0.00 72.50 70.39 2gbm s THR 22 CO 0.44 -0.66 1.89 0.40 -0.54 0.00 0.00 174.62 176.16 2gbm h ILE 23 N -0.33 1.23 -0.53 2.99 1.08 -0.91 -1.57 117.51 119.47 2gbm h ILE 23 Ca -0.45 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 63.46 2gbm h ILE 23 Cb 1.22 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 2gbm h ILE 23 CO 0.56 0.26 0.31 -0.08 -0.69 0.00 0.00 178.15 178.51 2gbm h GLU 24 N 1.09 0.59 -0.93 2.37 4.57 -1.53 -1.03 114.58 119.71 2gbm h GLU 24 Ca 0.27 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.42 2gbm h GLU 24 Cb 0.04 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 2gbm h GLU 24 CO -0.04 0.39 0.60 -0.97 -1.18 0.00 0.00 179.01 177.80 2gbm h ASN 25 N 0.60 1.08 -0.42 1.04 -1.24 -1.63 -1.18 115.58 113.84 2gbm h ASN 25 Ca 0.22 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2gbm h ASN 25 Cb 0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 2gbm h ASN 25 CO -0.11 0.79 0.25 0.58 -1.29 0.00 0.00 177.43 177.65 2gbm h VAL 26 N 1.26 1.14 -0.96 2.57 2.07 -0.74 -0.49 116.25 121.10 2gbm h VAL 26 Ca 0.34 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2gbm h VAL 26 Cb -0.12 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2gbm h VAL 26 CO -0.07 0.14 0.62 0.11 0.02 0.00 0.00 177.57 178.39 2gbm h LYS 27 N 0.55 1.10 -0.48 1.57 1.57 -0.52 -1.36 116.57 119.01 2gbm h LYS 27 Ca 0.15 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2gbm h LYS 27 Cb 0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2gbm h LYS 27 CO -0.03 0.73 0.17 0.00 -0.57 0.00 0.00 179.45 179.76 2gbm h ALA 28 N 1.43 0.62 -0.96 3.86 0.00 -0.60 -1.72 119.26 121.88 2gbm h ALA 28 Ca 0.41 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2gbm h ALA 28 Cb 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2gbm h ALA 28 CO -0.16 0.25 0.63 0.87 0.00 0.00 0.00 179.25 180.83 2gbm h LYS 29 N 0.63 1.20 -0.37 0.00 1.57 -0.34 -1.34 116.57 117.92 2gbm h LYS 29 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2gbm h LYS 29 Cb 0.22 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2gbm h LYS 29 CO -0.01 0.79 0.14 0.82 -0.57 0.00 0.00 179.45 180.62 2gbm h ILE 30 N 1.24 1.20 -0.71 1.86 2.04 -1.04 -1.26 117.51 120.84 2gbm h ILE 30 Ca 0.37 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.67 2gbm h ILE 30 Cb -0.04 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2gbm h ILE 30 CO -0.11 0.22 0.41 -0.61 0.00 0.00 0.00 178.15 178.06 2gbm h GLN 31 N 0.45 0.72 -0.42 2.37 4.15 -0.90 -1.53 115.11 119.96 2gbm h GLN 31 Ca 0.12 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2gbm h GLN 31 Cb 0.21 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2gbm h GLN 31 CO -0.01 0.48 0.20 -0.44 -1.93 0.00 0.00 178.83 177.13 2gbm h ASP 32 N 0.75 0.55 1.15 -0.69 3.32 -0.75 -0.72 116.42 120.04 2gbm h ASP 32 Ca 0.31 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2gbm h ASP 32 Cb 0.18 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2gbm h ASP 32 CO -0.18 0.53 -0.36 0.11 -1.72 0.00 0.00 179.24 177.62 2gbm h LYS 33 N 0.54 0.00 0.00 3.56 1.79 -0.77 -1.80 116.57 119.89 2gbm h LYS 33 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2gbm h LYS 33 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2gbm h LYS 33 CO -0.02 0.36 0.00 0.39 -1.08 0.00 0.00 179.45 179.10 2gbm n GLU 34 N -3.35 0.69 -0.60 3.15 1.02 -0.62 -4.88 120.64 116.04 2gbm n GLU 34 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2gbm n GLU 34 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2gbm n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gbm n GLY 35 N 0.76 0.67 1.32 0.62 0.00 -0.68 -4.94 105.19 102.94 2gbm n GLY 35 Ca 0.18 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2gbm n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 36 N -2.60 2.65 1.56 -0.02 0.00 -0.29 -5.00 105.19 101.49 2gbm n GLY 36 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2gbm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 37 N 1.32 -1.19 4.99 -0.02 0.00 -1.14 -3.24 105.19 105.90 2gbm n GLY 37 Ca 0.23 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2gbm n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 38 N 1.49 0.00 0.03 -0.02 0.00 -1.26 -3.90 105.19 101.54 2gbm n GLY 38 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2gbm n GLY 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbm h GLY 39 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.50 103.07 97.59 2gbm h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gbm h GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2gbm n GLY 40 N 1.81 1.57 2.58 4.60 0.00 -1.20 -5.03 105.19 109.52 2gbm n GLY 40 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2gbm n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 41 N -0.99 1.66 3.05 -0.02 0.00 -1.26 -5.04 105.19 102.59 2gbm n GLY 41 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2gbm n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbm s GLY 42 N -1.83 3.05 0.00 -0.02 0.00 -1.26 -5.02 107.32 102.24 2gbm s GLY 42 Ca 0.27 -3.85 0.00 0.00 0.00 0.00 0.00 44.72 41.14 2gbm s GLY 42 CO -0.05 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.82 2gbm n GLY 43 N 2.20 0.32 3.68 0.20 0.00 -1.26 -4.85 105.19 105.48 2gbm n GLY 43 Ca 0.21 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2gbm n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbm s ILE 44 N 0.00 5.21 0.68 -0.61 -1.09 -1.26 -5.07 121.20 119.06 2gbm s ILE 44 Ca 0.00 0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 58.95 2gbm s ILE 44 Cb 0.00 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2gbm s ILE 44 CO 0.00 0.27 1.22 -2.84 -1.23 0.00 0.00 174.94 172.35 2gbm s PRO 45 N 1.20 2.44 0.41 2.79 0.02 -1.26 -4.90 135.00 135.69 2gbm s PRO 45 Ca 0.19 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.14 2gbm s PRO 45 Cb -0.15 -1.86 0.97 0.00 0.02 0.00 0.00 34.50 33.48 2gbm s PRO 45 CO 0.08 -1.61 1.93 -1.35 -0.33 0.00 0.00 177.00 175.72 2gbm h PRO 46 N 0.14 0.49 0.00 5.54 0.11 -1.95 -0.87 132.00 135.46 2gbm h PRO 46 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2gbm h PRO 46 Cb 1.30 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gbm h PRO 46 CO 0.52 0.32 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.10 2gbm h ASP 47 N 0.50 0.00 -0.48 -2.05 3.32 -2.03 -2.34 116.42 113.35 2gbm h ASP 47 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2gbm h ASP 47 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2gbm h ASP 47 CO -0.12 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 2gbm n GLN 48 N -3.45 3.37 -4.35 3.56 6.02 -0.33 -4.88 117.38 117.31 2gbm n GLN 48 Ca -0.01 -2.26 -0.21 0.00 -0.01 0.00 0.00 57.00 54.51 2gbm n GLN 48 Cb 0.24 -1.85 -0.11 0.00 1.02 0.00 0.00 30.24 29.54 2gbm n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gbm s GLN 49 N -1.95 1.33 0.02 -1.09 -0.21 -0.88 -0.56 119.66 116.32 2gbm s GLN 49 Ca 0.40 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 54.30 2gbm s GLN 49 Cb 0.27 -1.28 -0.01 0.00 1.00 0.00 0.00 33.01 32.99 2gbm s GLN 49 CO 0.17 0.24 -0.12 1.03 -2.12 0.00 0.00 175.29 174.49 2gbm s ARG 50 N -3.22 0.85 -0.01 2.91 0.52 0.03 -4.67 118.95 115.37 2gbm s ARG 50 Ca 0.20 -0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 54.71 2gbm s ARG 50 Cb -0.04 -0.82 -0.06 0.00 0.52 0.00 0.00 34.95 34.56 2gbm s ARG 50 CO 0.07 0.21 0.39 -0.51 0.02 0.00 0.00 175.30 175.49 2gbm s LEU 51 N -0.72 4.47 -0.02 2.53 1.43 -1.26 -1.14 118.68 123.97 2gbm s LEU 51 Ca 0.02 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 2gbm s LEU 51 Cb -0.06 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2gbm s LEU 51 CO 0.00 0.33 -0.20 -0.63 0.23 0.00 0.00 176.35 176.08 2gbm s ILE 52 N -1.05 1.59 -0.04 -0.59 -1.09 0.28 -0.89 121.20 119.41 2gbm s ILE 52 Ca 0.23 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 2gbm s ILE 52 Cb -0.16 -1.33 0.03 0.00 -1.58 0.00 0.00 42.46 39.41 2gbm s ILE 52 CO 0.13 0.45 0.02 0.12 -1.23 0.00 0.00 174.94 174.43 2gbm s PHE 53 N -0.38 0.26 -1.47 3.97 5.36 -0.35 -1.47 117.98 123.89 2gbm s PHE 53 Ca 0.05 0.06 -0.08 0.00 -0.96 0.00 0.00 56.93 56.01 2gbm s PHE 53 Cb -0.09 -0.46 0.03 0.00 -0.34 0.00 0.00 43.02 42.16 2gbm s PHE 53 CO -0.00 -0.17 0.76 0.00 -1.46 0.00 0.00 175.22 174.35 2gbm n ALA 54 N 4.60 -1.10 -0.97 11.12 0.00 -1.26 -0.64 120.51 132.26 2gbm n ALA 54 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2gbm n ALA 54 Cb 0.50 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.79 2gbm n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbm n GLY 55 N -1.60 0.85 3.69 0.00 0.00 -1.26 -5.00 105.19 101.86 2gbm n GLY 55 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2gbm n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbm s LYS 56 N -0.09 3.97 -0.08 1.61 -0.14 0.19 -5.07 119.74 120.12 2gbm s LYS 56 Ca 0.00 -0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.03 2gbm s LYS 56 Cb 0.00 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 2gbm s LYS 56 CO 0.00 0.34 1.27 -1.14 -0.76 0.00 0.00 175.35 175.06 2gbm s GLN 57 N 0.20 4.30 0.09 1.68 0.74 -1.26 -1.21 119.66 124.19 2gbm s GLN 57 Ca 0.06 1.74 -0.15 0.00 0.05 0.00 0.00 55.36 57.05 2gbm s GLN 57 Cb -0.12 -3.64 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 2gbm s GLN 57 CO -0.00 -0.56 0.51 -0.51 -0.55 0.00 0.00 175.29 174.17 2gbm s LEU 58 N 2.71 4.42 -0.01 3.68 1.43 -0.07 -4.98 118.68 125.86 2gbm s LEU 58 Ca 0.57 1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 2gbm s LEU 58 Cb -0.25 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 2gbm s LEU 58 CO 0.21 0.20 0.70 -1.61 0.23 0.00 0.00 176.35 176.08 2gbm s GLU 59 N -1.56 4.43 0.55 1.70 2.02 -1.26 -4.56 118.70 120.02 2gbm s GLU 59 Ca 0.32 0.91 0.29 0.00 0.02 0.00 0.00 54.97 56.52 2gbm s GLU 59 Cb -0.16 -3.39 1.59 0.00 0.10 0.00 0.00 34.13 32.26 2gbm s GLU 59 CO 0.18 0.23 2.12 -0.44 0.02 0.00 0.00 175.26 177.37 2gbm h ASP 60 N 6.04 0.00 0.70 -0.19 3.32 -1.98 -2.13 116.42 122.18 2gbm h ASP 60 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2gbm h ASP 60 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2gbm h ASP 60 CO 0.72 0.08 -0.16 0.61 -1.72 0.00 0.00 179.24 178.77 2gbm n GLY 61 N -0.78 -1.30 3.95 2.75 0.00 -1.26 -1.54 105.19 107.01 2gbm n GLY 61 Ca -0.02 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2gbm n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbm s ARG 62 N -2.86 2.86 0.35 1.61 1.81 -0.80 -4.89 118.95 117.02 2gbm s ARG 62 Ca 0.17 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.77 2gbm s ARG 62 Cb 0.19 -2.47 -0.01 0.00 -0.45 0.00 0.00 34.95 32.21 2gbm s ARG 62 CO 0.56 -0.52 0.50 0.95 -0.68 0.00 0.00 175.30 176.11 2gbm s THR 63 N -2.73 4.24 0.35 0.02 -4.23 -1.26 -0.66 115.64 111.36 2gbm s THR 63 Ca 0.52 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2gbm s THR 63 Cb -0.10 -3.49 0.26 0.00 1.34 0.00 0.00 72.50 70.51 2gbm s THR 63 CO 0.40 -0.22 2.01 -0.07 -0.54 0.00 0.00 174.62 176.19 2gbm h LEU 64 N 0.83 0.74 -1.42 4.79 3.38 -0.92 -1.86 115.31 120.84 2gbm h LEU 64 Ca -0.47 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2gbm h LEU 64 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2gbm h LEU 64 CO 0.55 0.53 -0.01 -1.28 0.09 0.00 0.00 178.44 178.32 2gbm h SER 65 N 0.87 0.34 0.30 -0.43 0.87 -1.34 -2.02 113.55 112.14 2gbm h SER 65 Ca 0.24 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2gbm h SER 65 Cb -0.09 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2gbm h SER 65 CO -0.05 0.41 -0.05 0.44 -0.53 0.00 0.00 176.83 177.04 2gbm h ASP 66 N 0.36 0.00 -0.40 6.23 3.32 -1.61 -1.68 116.42 122.64 2gbm h ASP 66 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2gbm h ASP 66 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2gbm h ASP 66 CO 0.01 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 2gbm n TYR 67 N -3.43 0.74 -2.93 4.55 4.01 -0.80 -4.97 117.16 114.32 2gbm n TYR 67 Ca -0.02 -0.60 -0.20 0.00 -0.16 0.00 0.00 57.90 56.92 2gbm n TYR 67 Cb 0.18 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 2gbm n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gbm n ASN 68 N 0.46 -4.76 -4.66 7.72 5.03 -0.63 -4.91 115.26 113.51 2gbm n ASN 68 Ca 0.17 -0.18 -0.43 0.00 0.87 0.00 0.00 54.58 55.01 2gbm n ASN 68 Cb 0.60 -3.92 -0.02 0.00 -1.02 0.00 0.00 39.78 35.42 2gbm n ASN 68 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2gbm s ILE 69 N -2.95 4.40 0.46 2.41 1.01 -0.97 -5.00 121.20 120.56 2gbm s ILE 69 Ca 0.23 1.69 0.07 0.00 0.00 0.00 0.00 60.65 62.64 2gbm s ILE 69 Cb -0.11 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2gbm s ILE 69 CO 0.29 -0.18 0.41 -1.10 0.00 0.00 0.00 174.94 174.35 2gbm s GLN 70 N 3.45 2.44 0.36 2.79 -1.52 -1.26 -4.70 119.66 121.22 2gbm s GLN 70 Ca 0.51 -1.67 -0.26 0.00 -1.95 0.00 0.00 55.36 51.99 2gbm s GLN 70 Cb -0.19 -2.32 -0.12 0.00 -0.22 0.00 0.00 33.01 30.16 2gbm s GLN 70 CO 0.12 -0.34 1.09 0.36 -0.25 0.00 0.00 175.29 176.27 2gbm n LYS 71 N -1.64 1.57 -1.19 2.91 2.85 -1.26 -1.93 118.16 119.47 2gbm n LYS 71 Ca 0.03 0.55 -0.06 0.00 -1.05 0.00 0.00 58.31 57.78 2gbm n LYS 71 Cb 0.62 -2.07 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 2gbm n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gbm n GLU 72 N 0.41 -1.13 -2.03 -1.58 -0.58 0.73 -5.00 120.64 111.46 2gbm n GLU 72 Ca 0.08 0.63 -0.39 0.00 -0.42 0.00 0.00 57.16 57.06 2gbm n GLU 72 Cb 0.36 -4.65 0.00 0.00 -0.57 0.00 0.00 31.44 26.58 2gbm n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2gbm s SER 73 N -2.40 6.15 -0.18 1.62 0.01 -0.81 -4.78 113.70 113.30 2gbm s SER 73 Ca 0.00 2.65 -0.05 0.00 1.31 0.00 0.00 55.95 59.86 2gbm s SER 73 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2gbm s SER 73 CO 0.00 -0.96 -0.01 -0.89 0.41 0.00 0.00 173.24 171.79 2gbm s THR 74 N -1.29 4.02 0.25 1.44 2.01 -1.26 -0.74 115.64 120.08 2gbm s THR 74 Ca 0.59 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2gbm s THR 74 Cb -0.38 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2gbm s THR 74 CO 0.48 0.45 0.11 -0.76 -0.69 0.00 0.00 174.62 174.21 2gbm s LEU 75 N 0.70 3.54 -0.04 4.42 1.02 0.10 -4.79 118.68 123.64 2gbm s LEU 75 Ca -0.00 -0.41 0.05 0.00 0.02 0.00 0.00 54.13 53.78 2gbm s LEU 75 Cb -0.14 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 2gbm s LEU 75 CO 0.02 -0.01 -0.18 -1.00 0.02 0.00 0.00 176.35 175.20 2gbm s HIS 76 N -2.18 1.76 -0.07 0.29 3.76 -0.54 -0.80 115.29 117.51 2gbm s HIS 76 Ca 0.32 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 2gbm s HIS 76 Cb -0.07 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 2gbm s HIS 76 CO 0.23 -0.14 0.41 -0.51 -0.85 0.00 0.00 174.74 173.88 2gbm s LEU 77 N -0.09 4.37 0.16 0.89 1.43 -0.13 -0.55 118.68 124.75 2gbm s LEU 77 Ca -0.01 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 2gbm s LEU 77 Cb -0.11 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2gbm s LEU 77 CO 0.02 0.18 -0.05 0.68 0.23 0.00 0.00 176.35 177.41 2gbm s VAL 78 N -0.26 0.95 0.25 -1.59 -7.23 -0.29 -4.29 120.40 107.93 2gbm s VAL 78 Ca 0.23 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 2gbm s VAL 78 Cb -0.16 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2gbm s VAL 78 CO 0.11 -0.62 1.13 -0.76 -0.31 0.00 0.00 175.10 174.64 2gbm s LEU 79 N -3.17 4.52 0.00 1.32 1.43 -1.26 -0.79 118.68 120.72 2gbm s LEU 79 Ca 0.20 2.25 0.28 0.00 -1.03 0.00 0.00 54.13 55.83 2gbm s LEU 79 Cb 0.04 -3.62 1.65 0.00 0.03 0.00 0.00 46.19 44.29 2gbm s LEU 79 CO 0.02 -0.22 1.99 -1.14 0.23 0.00 0.00 176.35 177.24