#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 1.25 0.21 2.12 -0.21 -1.26 -1.70 119.66 120.07 2gbm s GLN 2 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 55.36 54.53 2gbm s GLN 2 Cb 0.00 -1.34 -0.05 0.00 1.00 0.00 0.00 33.01 32.62 2gbm s GLN 2 CO 0.00 0.34 -0.05 0.96 -2.12 0.00 0.00 175.29 174.42 2gbm s ILE 3 N -0.82 1.21 0.00 1.08 -4.36 -0.30 -0.25 121.20 117.75 2gbm s ILE 3 Ca 0.06 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2gbm s ILE 3 Cb -0.09 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 2gbm s ILE 3 CO 0.02 -0.47 -0.14 -0.36 0.24 0.00 0.00 174.94 174.23 2gbm s PHE 4 N -3.31 2.68 -0.10 1.37 0.08 -0.32 -0.78 117.98 117.61 2gbm s PHE 4 Ca 0.25 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2gbm s PHE 4 Cb 0.04 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2gbm s PHE 4 CO 0.06 0.26 -0.09 0.08 -0.10 0.00 0.00 175.22 175.44 2gbm s VAL 5 N -0.88 1.02 -0.26 -0.44 1.01 -0.17 -1.05 120.40 119.63 2gbm s VAL 5 Ca 0.14 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2gbm s VAL 5 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2gbm s VAL 5 CO 0.04 0.36 0.94 -0.75 0.00 0.00 0.00 175.10 175.69 2gbm s LYS 6 N 1.38 4.15 0.78 2.72 2.20 -0.13 -1.14 119.74 129.69 2gbm s LYS 6 Ca -0.01 1.06 -0.05 0.00 -0.36 0.00 0.00 55.97 56.61 2gbm s LYS 6 Cb -0.14 -3.68 0.14 0.00 -1.51 0.00 0.00 37.83 32.65 2gbm s LYS 6 CO -0.04 -0.66 1.07 0.95 -0.36 0.00 0.00 175.35 176.31 2gbm s THR 7 N 3.15 2.12 0.39 3.43 -4.23 0.70 -1.02 115.64 120.17 2gbm s THR 7 Ca 0.40 -0.43 0.34 0.00 -1.18 0.00 0.00 61.69 60.82 2gbm s THR 7 Cb -0.14 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.38 2gbm s THR 7 CO 0.09 0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.24 2gbm h LEU 8 N -0.79 0.00 -0.84 4.79 3.38 -1.89 -1.35 115.31 118.61 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 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2gbm h LEU 8 CO 0.41 0.05 -0.06 0.35 0.09 0.00 0.00 178.44 179.28 2gbm n THR 9 N -3.30 0.00 -0.53 0.22 -2.24 -1.26 -4.93 114.28 102.23 2gbm n THR 9 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2gbm n THR 9 Cb 0.21 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.75 3.81 3.38 0.00 -0.51 -5.06 105.19 108.77 2gbm n GLY 10 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2gbm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbm s LYS 11 N -0.47 4.31 -0.37 1.61 1.02 -1.26 -4.79 119.74 119.80 2gbm s LYS 11 Ca 0.00 1.16 -0.06 0.00 0.02 0.00 0.00 55.97 57.09 2gbm s LYS 11 Cb 0.00 -2.33 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2gbm s LYS 11 CO 0.00 0.05 0.15 0.99 -0.92 0.00 0.00 175.35 175.62 2gbm s THR 12 N -2.04 3.76 0.19 2.17 2.01 -1.26 -0.22 115.64 120.25 2gbm s THR 12 Ca 0.59 -1.37 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2gbm s THR 12 Cb -0.11 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2gbm s THR 12 CO 0.16 -0.34 0.35 0.27 -0.69 0.00 0.00 174.62 174.36 2gbm s ILE 13 N 1.36 5.26 -0.16 1.82 -4.36 -0.29 -4.88 121.20 119.95 2gbm s ILE 13 Ca 0.01 -0.60 -0.05 0.00 -0.26 0.00 0.00 60.65 59.75 2gbm s ILE 13 Cb -0.21 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 39.70 2gbm s ILE 13 CO 0.01 -0.18 0.01 -0.89 0.24 0.00 0.00 174.94 174.13 2gbm s THR 14 N -1.85 4.32 0.03 8.37 2.01 -1.26 -1.00 115.64 126.26 2gbm s THR 14 Ca 0.36 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.23 2gbm s THR 14 Cb -0.11 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2gbm s THR 14 CO 0.29 0.50 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.72 2gbm s LEU 15 N 0.17 2.15 -0.20 4.42 1.43 0.04 -4.99 118.68 121.70 2gbm s LEU 15 Ca 0.01 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2gbm s LEU 15 Cb -0.13 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2gbm s LEU 15 CO 0.02 0.22 0.30 -0.70 0.23 0.00 0.00 176.35 176.41 2gbm s GLU 16 N -1.10 4.18 0.31 1.70 2.12 -1.26 -1.15 118.70 123.49 2gbm s GLU 16 Ca 0.10 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.49 2gbm s GLU 16 Cb -0.09 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2gbm s GLU 16 CO 0.01 0.09 0.31 0.14 -0.54 0.00 0.00 175.26 175.27 2gbm s VAL 17 N 0.94 0.00 0.05 3.70 -7.23 -0.69 -5.01 120.40 112.17 2gbm s VAL 17 Ca 0.15 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2gbm s VAL 17 Cb -0.14 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2gbm s VAL 17 CO 0.05 0.00 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.94 2gbm s GLU 18 N -3.47 0.59 0.58 4.82 -1.05 -1.26 -4.02 118.70 114.89 2gbm s GLU 18 Ca 0.38 -0.88 0.28 0.00 -0.15 0.00 0.00 54.97 54.59 2gbm s GLU 18 Cb 0.02 -0.27 1.54 0.00 -0.44 0.00 0.00 34.13 34.99 2gbm s GLU 18 CO 0.23 0.03 2.02 -1.35 0.95 0.00 0.00 175.26 177.14 2gbm h PRO 19 N 4.17 0.00 -0.00 -4.83 0.11 -1.98 -1.31 132.00 128.15 2gbm h PRO 19 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2gbm h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gbm h PRO 19 CO 0.46 0.00 -0.07 -1.13 -0.21 0.00 0.00 178.00 177.04 2gbm n SER 20 N -3.90 0.36 -4.77 -2.05 3.41 -1.26 -1.56 113.62 103.85 2gbm n SER 20 Ca 0.05 -0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 2gbm n SER 20 Cb 0.48 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.44 6.50 0.69 4.04 1.01 -0.50 -4.78 116.67 121.20 2gbm s ASP 21 Ca 0.31 2.88 -0.11 0.00 0.71 0.00 0.00 52.55 56.34 2gbm s ASP 21 Cb 0.20 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2gbm s ASP 21 CO 0.46 -0.75 1.08 0.42 0.21 0.00 0.00 175.17 176.59 2gbm s THR 22 N -1.14 3.82 0.31 -1.27 -4.23 -1.26 -1.62 115.64 110.25 2gbm s THR 22 Ca 0.52 0.59 0.02 0.00 -1.18 0.00 0.00 61.69 61.64 2gbm s THR 22 Cb -0.43 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.01 2gbm s THR 22 CO 0.58 -0.77 1.84 0.40 -0.54 0.00 0.00 174.62 176.12 2gbm h ILE 23 N -0.61 1.21 -0.60 2.99 1.08 -1.02 -1.65 117.51 118.92 2gbm h ILE 23 Ca -0.45 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.22 2gbm h ILE 23 Cb 1.23 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 2gbm h ILE 23 CO 0.62 0.30 0.31 -0.08 -0.69 0.00 0.00 178.15 178.61 2gbm h GLU 24 N 0.59 0.55 -0.45 2.37 4.57 -1.32 -0.68 114.58 120.21 2gbm h GLU 24 Ca 0.12 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 2gbm h GLU 24 Cb 0.37 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 2gbm h GLU 24 CO 0.01 0.37 0.11 -0.97 -1.18 0.00 0.00 179.01 177.35 2gbm h ASN 25 N 0.57 0.04 -0.60 1.04 -0.00 -1.61 -0.90 115.58 114.12 2gbm h ASN 25 Ca 0.27 0.07 0.03 0.00 -0.00 0.00 0.00 56.30 56.68 2gbm h ASN 25 Cb 0.20 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.57 2gbm h ASN 25 CO -0.19 0.06 0.36 0.58 -0.00 0.00 0.00 177.43 178.23 2gbm h VAL 26 N 0.25 1.06 -0.66 2.57 2.07 -0.53 -1.42 116.25 119.58 2gbm h VAL 26 Ca 0.22 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2gbm h VAL 26 Cb 0.27 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2gbm h VAL 26 CO -0.27 0.13 0.38 0.11 0.02 0.00 0.00 177.57 177.93 2gbm h LYS 27 N 0.71 0.68 -0.95 1.57 1.57 -0.33 -1.15 116.57 118.67 2gbm h LYS 27 Ca 0.24 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2gbm h LYS 27 Cb 0.04 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 2gbm h LYS 27 CO -0.11 0.45 0.63 0.00 -0.57 0.00 0.00 179.45 179.85 2gbm h ALA 28 N 1.34 1.20 -0.46 3.86 0.00 -0.82 -0.94 119.26 123.44 2gbm h ALA 28 Ca 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2gbm h ALA 28 Cb 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2gbm h ALA 28 CO -0.17 0.60 -0.10 0.87 0.00 0.00 0.00 179.25 180.45 2gbm h LYS 29 N 1.29 0.82 -0.58 0.00 1.57 -0.56 -1.15 116.57 117.96 2gbm h LYS 29 Ca 0.35 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2gbm h LYS 29 Cb -0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2gbm h LYS 29 CO -0.07 0.89 0.06 0.82 -0.57 0.00 0.00 179.45 180.58 2gbm h ILE 30 N 0.75 1.26 -0.14 1.86 2.04 -0.80 -1.57 117.51 120.90 2gbm h ILE 30 Ca 0.13 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2gbm h ILE 30 Cb 0.59 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2gbm h ILE 30 CO 0.04 0.38 -0.04 -0.61 0.00 0.00 0.00 178.15 177.91 2gbm h GLN 31 N 0.88 -0.01 -0.48 2.37 4.15 -0.77 0.21 115.11 121.46 2gbm h GLN 31 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.65 2gbm h GLN 31 Cb 0.46 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 2gbm h GLN 31 CO 0.02 -0.01 0.19 -0.44 -1.93 0.00 0.00 178.83 176.66 2gbm h ASP 32 N -0.01 0.22 0.12 -0.69 3.32 -1.05 0.22 116.42 118.55 2gbm h ASP 32 Ca 0.07 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2gbm h ASP 32 Cb 0.12 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2gbm h ASP 32 CO -0.15 0.15 -0.06 0.11 -1.72 0.00 0.00 179.24 177.57 2gbm h LYS 33 N 0.38 -0.16 -0.09 3.56 1.79 -0.90 -3.05 116.57 118.10 2gbm h LYS 33 Ca 0.23 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.58 2gbm h LYS 33 Cb 0.21 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2gbm h LYS 33 CO -0.21 -0.07 -0.49 0.93 -1.08 0.00 0.00 179.45 178.52 2gbm h GLU 34 N -0.20 0.24 0.00 3.15 5.08 -0.13 -3.16 114.58 119.55 2gbm h GLU 34 Ca -0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2gbm h GLU 34 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2gbm h GLU 34 CO 0.03 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 2gbm n GLY 35 N 0.01 -1.45 0.00 -3.84 0.00 0.73 -3.73 105.19 96.90 2gbm n GLY 35 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 1.34 -1.02 0.13 -0.02 0.00 -1.15 -3.30 105.19 101.16 2gbm n GLY 36 Ca 0.07 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 0.47 -0.61 2.24 -0.02 0.00 -1.24 -4.95 105.19 101.07 2gbm n GLY 37 Ca 0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 1.85 -0.16 0.12 -0.02 0.00 -1.21 -4.79 105.19 100.99 2gbm n GLY 38 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.92 -3.49 103.07 97.64 2gbm h GLY 39 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2gbm h GLY 39 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.38 2gbm n GLY 40 N 0.52 4.27 0.00 4.60 0.00 -1.26 -5.08 105.19 108.24 2gbm n GLY 40 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.78 1.12 0.00 -0.02 0.00 -1.26 -5.08 105.19 98.18 2gbm n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gbm n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 42 N 0.00 0.52 3.65 -0.02 0.00 -1.26 -5.02 105.19 103.06 2gbm n GLY 42 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2gbm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbm s GLY 43 N 0.00 0.36 -0.27 -0.02 0.00 -1.26 -5.11 107.32 101.01 2gbm s GLY 43 Ca 0.00 3.53 -0.10 0.00 0.00 0.00 0.00 44.72 48.15 2gbm s GLY 43 CO 0.00 2.68 0.15 -0.42 0.00 0.00 0.00 173.10 175.51 2gbm s ILE 44 N 1.15 5.00 0.67 0.90 1.01 -1.26 -5.09 121.20 123.58 2gbm s ILE 44 Ca -0.08 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2gbm s ILE 44 Cb -0.03 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2gbm s ILE 44 CO -0.12 0.28 1.09 -2.16 0.00 0.00 0.00 174.94 174.03 2gbm s PRO 45 N 1.66 2.84 0.45 2.79 0.04 -1.26 -4.92 135.00 136.60 2gbm s PRO 45 Ca 0.07 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.45 2gbm s PRO 45 Cb -0.16 -1.97 1.00 0.00 0.04 0.00 0.00 34.50 33.42 2gbm s PRO 45 CO 0.08 -1.19 2.07 -1.00 0.04 0.00 0.00 177.00 177.00 2gbm h PRO 46 N -0.20 0.37 0.00 0.56 0.13 -1.96 -1.79 132.00 129.10 2gbm h PRO 46 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2gbm h PRO 46 Cb 1.23 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2gbm h PRO 46 CO 0.55 0.24 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 2gbm n ASP 47 N -4.49 0.32 -0.95 1.44 5.75 -1.26 -1.81 116.55 115.55 2gbm n ASP 47 Ca 0.03 0.57 0.12 0.00 -0.01 0.00 0.00 54.79 55.50 2gbm n ASP 47 Cb 0.13 -0.64 0.25 0.00 -1.03 0.00 0.00 41.12 39.83 2gbm n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gbm n GLN 48 N -1.84 2.25 -4.41 0.11 6.02 -0.67 -4.91 117.38 113.93 2gbm n GLN 48 Ca 0.03 -1.88 -0.27 0.00 -0.01 0.00 0.00 57.00 54.87 2gbm n GLN 48 Cb 0.21 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.66 1.54 0.04 -1.09 -0.21 -0.75 -0.91 119.66 116.62 2gbm s GLN 49 Ca 0.36 -1.49 0.04 0.00 0.02 0.00 0.00 55.36 54.28 2gbm s GLN 49 Cb 0.21 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 2gbm s GLN 49 CO 0.30 0.41 -0.12 1.03 -2.12 0.00 0.00 175.29 174.79 2gbm s ARG 50 N -2.62 0.78 -0.09 2.91 1.81 0.14 -4.79 118.95 117.10 2gbm s ARG 50 Ca 0.20 -0.71 -0.05 0.00 -1.72 0.00 0.00 55.73 53.46 2gbm s ARG 50 Cb -0.08 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.64 2gbm s ARG 50 CO 0.10 0.18 0.12 -0.51 -0.68 0.00 0.00 175.30 174.51 2gbm s LEU 51 N -1.15 4.23 -0.04 2.53 1.43 -1.26 -1.06 118.68 123.36 2gbm s LEU 51 Ca -0.01 0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2gbm s LEU 51 Cb -0.08 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2gbm s LEU 51 CO 0.01 0.38 -0.23 -0.63 0.23 0.00 0.00 176.35 176.10 2gbm s ILE 52 N -1.05 1.91 -0.01 -0.59 -1.09 0.31 -0.86 121.20 119.82 2gbm s ILE 52 Ca 0.17 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 2gbm s ILE 52 Cb -0.12 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 39.16 2gbm s ILE 52 CO 0.06 0.54 0.03 0.12 -1.23 0.00 0.00 174.94 174.46 2gbm s PHE 53 N -0.24 -0.02 -1.56 3.97 5.36 -0.34 -1.26 117.98 123.89 2gbm s PHE 53 Ca -0.00 0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 55.93 2gbm s PHE 53 Cb -0.12 -0.05 0.11 0.00 -0.34 0.00 0.00 43.02 42.62 2gbm s PHE 53 CO 0.02 -0.04 0.84 0.00 -1.46 0.00 0.00 175.22 174.59 2gbm n ALA 54 N 3.38 -1.23 -0.56 11.12 0.00 -1.26 -1.48 120.51 130.48 2gbm n ALA 54 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gbm n ALA 54 Cb 0.57 -3.92 0.00 0.00 0.00 0.00 0.00 19.45 16.10 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 -1.51 1.79 3.59 0.00 0.00 -1.26 -5.02 105.19 102.77 2gbm n GLY 55 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.02 2.50 0.03 1.61 -0.14 -0.55 -5.09 119.74 118.07 2gbm s LYS 56 Ca 0.00 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 2gbm s LYS 56 Cb 0.00 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 2gbm s LYS 56 CO 0.00 0.59 0.96 -1.14 -0.76 0.00 0.00 175.35 175.00 2gbm s GLN 57 N -1.50 4.59 0.11 1.68 0.74 -1.26 -1.20 119.66 122.82 2gbm s GLN 57 Ca 0.17 1.40 -0.06 0.00 0.05 0.00 0.00 55.36 56.92 2gbm s GLN 57 Cb -0.11 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 2gbm s GLN 57 CO 0.08 0.04 0.37 -0.51 -0.55 0.00 0.00 175.29 174.72 2gbm s LEU 58 N 0.67 4.30 -0.07 3.68 1.43 -0.04 -4.97 118.68 123.68 2gbm s LEU 58 Ca 0.49 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 2gbm s LEU 58 Cb -0.22 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 2gbm s LEU 58 CO 0.28 0.11 0.39 -1.61 0.23 0.00 0.00 176.35 175.75 2gbm s GLU 59 N -2.34 4.08 0.53 1.70 0.41 -1.26 -4.64 118.70 117.18 2gbm s GLU 59 Ca 0.37 0.33 0.27 0.00 -0.41 0.00 0.00 54.97 55.54 2gbm s GLU 59 Cb -0.13 -3.32 1.48 0.00 -1.78 0.00 0.00 34.13 30.38 2gbm s GLU 59 CO 0.22 0.46 2.09 -0.44 -0.49 0.00 0.00 175.26 177.10 2gbm h ASP 60 N 5.66 0.00 0.83 -0.19 3.32 -1.98 -2.61 116.42 121.44 2gbm h ASP 60 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 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 0.68 0.11 -0.40 0.61 -1.72 0.00 0.00 179.24 178.52 2gbm n GLY 61 N -0.77 -1.41 3.91 2.75 0.00 -1.26 -0.96 105.19 107.46 2gbm n GLY 61 Ca -0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.07 2.57 0.37 1.61 0.52 -0.99 -4.83 118.95 115.14 2gbm s ARG 62 Ca 0.10 0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.40 2gbm s ARG 62 Cb 0.16 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 2gbm s ARG 62 CO 0.66 -1.03 0.43 0.95 0.02 0.00 0.00 175.30 176.33 2gbm s THR 63 N -3.20 3.37 0.25 0.02 -4.23 -1.26 -1.18 115.64 109.41 2gbm s THR 63 Ca 0.58 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 2gbm s THR 63 Cb -0.11 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.83 2gbm s THR 63 CO 0.47 -0.09 1.91 -0.07 -0.54 0.00 0.00 174.62 176.29 2gbm h LEU 64 N 0.96 1.09 -0.96 4.79 3.38 -1.18 -2.08 115.31 121.32 2gbm h LEU 64 Ca -0.43 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.55 2gbm h LEU 64 Cb 1.26 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2gbm h LEU 64 CO 0.53 0.75 0.63 0.28 0.09 0.00 0.00 178.44 180.72 2gbm h SER 65 N 1.27 1.06 -0.10 -0.43 0.02 -1.52 -1.64 113.55 112.20 2gbm h SER 65 Ca 0.39 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 2gbm h SER 65 Cb -0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 2gbm h SER 65 CO -0.12 0.74 0.12 0.44 -1.14 0.00 0.00 176.83 176.88 2gbm h ASP 66 N 1.24 0.00 -0.42 3.07 3.32 -1.66 -1.49 116.42 120.47 2gbm h ASP 66 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2gbm h ASP 66 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2gbm h ASP 66 CO -0.10 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.20 2gbm n TYR 67 N -3.78 0.56 -3.21 4.55 4.01 -0.69 -4.97 117.16 113.63 2gbm n TYR 67 Ca -0.00 -0.49 -0.23 0.00 -0.16 0.00 0.00 57.90 57.02 2gbm n TYR 67 Cb 0.22 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.28 2gbm n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2gbm n ASN 68 N 0.76 -6.23 -4.64 7.72 2.85 -0.56 -4.95 115.26 110.20 2gbm n ASN 68 Ca 0.14 -0.37 -0.41 0.00 -0.11 0.00 0.00 54.58 53.84 2gbm n ASN 68 Cb 0.47 -4.98 -0.06 0.00 1.24 0.00 0.00 39.78 36.45 2gbm n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2gbm s ILE 69 N -3.23 4.96 0.31 -1.44 1.01 -0.79 -5.03 121.20 116.99 2gbm s ILE 69 Ca 0.40 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.33 2gbm s ILE 69 Cb -0.17 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2gbm s ILE 69 CO 0.49 0.04 0.02 0.00 0.00 0.00 0.00 174.94 175.49 2gbm n GLN 70 N 5.50 1.12 -1.61 2.79 10.64 -1.26 -4.54 117.38 130.02 2gbm n GLN 70 Ca 0.01 -2.30 -0.47 0.00 -1.83 0.00 0.00 57.00 52.41 2gbm n GLN 70 Cb 0.49 0.74 -0.03 0.00 -0.86 0.00 0.00 30.24 30.58 2gbm n GLN 70 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2gbm n LYS 71 N -0.75 1.50 -1.00 2.61 5.02 -1.26 -1.48 118.16 122.79 2gbm n LYS 71 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2gbm n LYS 71 Cb 0.40 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2gbm n LYS 71 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gbm n GLU 72 N 1.69 -1.29 -1.73 1.97 -0.58 0.66 -4.99 120.64 116.36 2gbm n GLU 72 Ca 0.13 0.32 -0.34 0.00 -0.42 0.00 0.00 57.16 56.85 2gbm n GLU 72 Cb 0.28 -4.29 0.06 0.00 -0.57 0.00 0.00 31.44 26.92 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 -2.00 4.81 -0.15 1.62 0.01 -0.55 -4.74 113.70 112.70 2gbm s SER 73 Ca 0.00 2.26 -0.00 0.00 1.31 0.00 0.00 55.95 59.52 2gbm s SER 73 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2gbm s SER 73 CO 0.00 -1.85 -0.13 -0.89 0.41 0.00 0.00 173.24 170.78 2gbm s THR 74 N -1.95 2.90 0.20 1.44 2.01 -1.26 -1.17 115.64 117.81 2gbm s THR 74 Ca 0.73 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 62.10 2gbm s THR 74 Cb -0.27 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2gbm s THR 74 CO 0.40 0.51 0.11 -0.76 -0.69 0.00 0.00 174.62 174.19 2gbm s LEU 75 N 0.62 3.64 -0.05 4.42 1.02 -0.22 -4.69 118.68 123.42 2gbm s LEU 75 Ca -0.08 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.86 2gbm s LEU 75 Cb -0.16 -2.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 2gbm s LEU 75 CO 0.03 0.03 -0.23 -1.00 0.02 0.00 0.00 176.35 175.20 2gbm s HIS 76 N -1.92 2.25 -0.07 0.29 3.76 -0.39 -0.96 115.29 118.25 2gbm s HIS 76 Ca 0.31 -0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 2gbm s HIS 76 Cb -0.09 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 2gbm s HIS 76 CO 0.23 -0.19 0.36 -0.51 -0.85 0.00 0.00 174.74 173.77 2gbm s LEU 77 N -0.15 4.38 0.16 0.89 1.43 -0.19 -0.53 118.68 124.68 2gbm s LEU 77 Ca -0.03 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2gbm s LEU 77 Cb -0.13 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2gbm s LEU 77 CO 0.03 0.22 0.00 0.68 0.23 0.00 0.00 176.35 177.52 2gbm s VAL 78 N -0.41 0.61 0.17 -1.59 -7.23 -0.22 -4.41 120.40 107.32 2gbm s VAL 78 Ca 0.21 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.22 2gbm s VAL 78 Cb -0.15 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.64 2gbm s VAL 78 CO 0.09 -0.51 0.68 -0.76 -0.31 0.00 0.00 175.10 174.30 2gbm s LEU 79 N -3.15 4.42 0.00 1.32 1.43 -1.26 -0.68 118.68 120.76 2gbm s LEU 79 Ca 0.23 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2gbm s LEU 79 Cb 0.06 -3.37 0.26 0.00 0.03 0.00 0.00 46.19 43.17 2gbm s LEU 79 CO 0.03 0.12 0.73 -2.11 0.23 0.00 0.00 176.35 175.35