#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gba n LYS 2 N 0.00 2.04 -3.77 -0.67 5.02 0.43 -4.90 118.16 116.32 2gba n LYS 2 Ca 0.00 -1.90 -0.13 0.00 -2.02 0.00 0.00 58.31 54.26 2gba n LYS 2 Cb 0.00 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 2gba n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gba s ALA 3 N -1.21 -0.75 0.25 7.82 0.00 -1.25 -0.79 121.76 125.83 2gba s ALA 3 Ca 0.27 0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.69 2gba s ALA 3 Cb 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2gba s ALA 3 CO 0.22 -0.24 -0.10 0.95 0.00 0.00 0.00 175.76 176.59 2gba s THR 4 N -1.17 3.01 -0.36 0.00 -4.23 0.33 -4.94 115.64 108.27 2gba s THR 4 Ca -0.12 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 2gba s THR 4 Cb -0.05 -2.57 0.09 0.00 1.34 0.00 0.00 72.50 71.31 2gba s THR 4 CO 0.04 -0.32 0.12 -0.63 -0.54 0.00 0.00 174.62 173.28 2gba s ILE 5 N -2.23 3.00 0.20 2.99 1.01 -1.26 -0.84 121.20 124.07 2gba s ILE 5 Ca 0.29 -1.93 -0.11 0.00 0.00 0.00 0.00 60.65 58.91 2gba s ILE 5 Cb -0.06 -2.99 0.12 0.00 0.01 0.00 0.00 42.46 39.53 2gba s ILE 5 CO 0.17 -0.51 1.78 -0.65 0.00 0.00 0.00 174.94 175.72 2gba h PRO 6 N 7.95 0.49 -3.82 2.79 0.11 -1.96 -3.41 132.00 134.15 2gba h PRO 6 Ca -0.13 -0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.49 2gba h PRO 6 Cb 1.05 -0.11 -0.38 0.00 0.11 0.00 0.00 31.00 31.67 2gba h PRO 6 CO 0.62 0.33 -0.78 0.45 -0.21 0.00 0.00 178.00 178.41 2gba s SER 7 N -5.48 1.73 0.44 -2.05 0.15 -1.26 -5.01 113.70 102.22 2gba s SER 7 Ca -0.13 -0.14 0.21 0.00 0.70 0.00 0.00 55.95 56.59 2gba s SER 7 Cb 0.15 -0.53 1.04 0.00 -1.71 0.00 0.00 66.02 64.98 2gba s SER 7 CO 0.74 -0.18 1.92 -0.33 1.20 0.00 0.00 173.24 176.60 2gba h GLU 8 N 8.29 0.00 -6.58 5.44 4.39 -1.95 -3.43 114.58 120.73 2gba h GLU 8 Ca -0.22 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.96 2gba h GLU 8 Cb 1.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2gba h GLU 8 CO 0.29 0.24 0.19 0.45 -1.16 0.00 0.00 179.01 179.03 2gba s SER 9 N -6.48 7.33 0.87 1.42 0.15 -1.26 -4.64 113.70 111.09 2gba s SER 9 Ca -0.02 1.63 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 2gba s SER 9 Cb 0.13 -2.50 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 2gba s SER 9 CO 0.65 0.14 1.14 -2.84 1.20 0.00 0.00 173.24 173.54 2gba s PRO 10 N -1.41 1.38 0.15 5.44 0.02 -1.26 -4.91 135.00 134.41 2gba s PRO 10 Ca 0.39 1.51 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 2gba s PRO 10 Cb -0.21 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 2gba s PRO 10 CO 0.25 -2.36 0.10 -0.59 -0.33 0.00 0.00 177.00 174.07 2gba s PHE 11 N -2.62 0.90 0.38 6.54 -0.71 -0.44 -4.91 117.98 117.11 2gba s PHE 11 Ca 0.67 -1.23 -0.26 0.00 -1.04 0.00 0.00 56.93 55.06 2gba s PHE 11 Cb -0.22 -0.46 -0.09 0.00 -1.21 0.00 0.00 43.02 41.04 2gba s PHE 11 CO 0.56 -0.57 1.20 0.00 -1.34 0.00 0.00 175.22 175.07 2gba s ALA 12 N -4.07 3.24 0.33 1.99 0.00 -1.26 0.15 121.76 122.13 2gba s ALA 12 Ca 0.27 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.35 2gba s ALA 12 Cb 0.07 -3.40 0.80 0.00 0.00 0.00 0.00 23.12 20.59 2gba s ALA 12 CO 0.04 -0.55 1.79 0.00 0.00 0.00 0.00 175.76 177.05 2gba h ALA 13 N 2.86 1.78 0.00 0.00 0.00 -1.26 0.13 119.26 122.77 2gba h ALA 13 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2gba h ALA 13 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2gba h ALA 13 CO 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2gba h ALA 14 N 1.63 1.00 -0.07 0.00 0.00 -1.91 -2.11 119.26 117.81 2gba h ALA 14 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2gba h ALA 14 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2gba h ALA 14 CO -0.34 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.30 2gba n GLU 15 N -2.82 1.51 -2.28 0.00 1.02 0.45 -4.92 120.64 113.60 2gba n GLU 15 Ca -0.01 -0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 55.97 2gba n GLU 15 Cb 0.17 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2gba n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2gba s VAL 16 N -1.92 3.15 0.55 2.62 1.01 -0.79 -4.93 120.40 120.09 2gba s VAL 16 Ca 0.36 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 2gba s VAL 16 Cb 0.19 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2gba s VAL 16 CO 0.30 0.24 1.16 0.00 0.00 0.00 0.00 175.10 176.79 2gba n ALA 17 N 1.42 0.85 -1.68 5.51 0.00 -1.26 -4.91 120.51 120.44 2gba n ALA 17 Ca 0.01 0.10 -0.50 0.00 0.00 0.00 0.00 53.44 53.04 2gba n ALA 17 Cb 0.43 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 2gba n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gba n ASP 18 N -0.71 2.93 0.00 0.00 9.92 -1.26 -1.94 116.55 125.49 2gba n ASP 18 Ca 0.12 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 2gba n ASP 18 Cb 0.45 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 2gba n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gba n GLY 19 N 3.94 0.48 3.70 0.44 0.00 -1.26 -5.00 105.19 107.49 2gba n GLY 19 Ca 0.22 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2gba n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gba s ALA 20 N -2.00 1.81 -0.65 4.61 0.00 -0.82 -4.95 121.76 119.76 2gba s ALA 20 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 2gba s ALA 20 Cb 0.00 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.79 2gba s ALA 20 CO 0.00 -2.32 0.70 0.42 0.00 0.00 0.00 175.76 174.55 2gba s ILE 21 N -2.30 5.05 -0.15 0.00 1.01 -1.26 -5.02 121.20 118.54 2gba s ILE 21 Ca 0.71 -1.43 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 2gba s ILE 21 Cb -0.26 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 2gba s ILE 21 CO 0.52 -1.08 0.07 -0.69 0.00 0.00 0.00 174.94 173.76 2gba s VAL 22 N 1.97 4.86 -0.29 2.92 1.01 -1.26 -0.66 120.40 128.95 2gba s VAL 22 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 2gba s VAL 22 Cb -0.22 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2gba s VAL 22 CO 0.01 0.53 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 2gba s VAL 23 N -0.24 3.89 0.35 2.92 1.01 0.01 -4.96 120.40 123.37 2gba s VAL 23 Ca 0.08 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 2gba s VAL 23 Cb -0.12 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 2gba s VAL 23 CO 0.01 0.10 0.88 -1.81 0.00 0.00 0.00 175.10 174.28 2gba s ASP 24 N 1.49 7.07 -0.17 3.32 1.01 -1.26 -1.06 116.67 127.07 2gba s ASP 24 Ca 0.03 1.64 0.01 0.00 0.71 0.00 0.00 52.55 54.94 2gba s ASP 24 Cb -0.17 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.27 2gba s ASP 24 CO 0.02 -0.18 -0.20 -0.63 0.21 0.00 0.00 175.17 174.39 2gba s ILE 25 N -1.85 2.08 0.01 0.77 1.01 -0.23 -0.60 121.20 122.39 2gba s ILE 25 Ca 0.54 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2gba s ILE 25 Cb -0.14 -1.86 0.07 0.00 0.01 0.00 0.00 42.46 40.54 2gba s ILE 25 CO 0.19 0.54 0.62 0.00 0.00 0.00 0.00 174.94 176.29 2gba s ALA 26 N 1.20 -1.62 -1.52 9.38 0.00 -0.79 -0.58 121.76 127.83 2gba s ALA 26 Ca 0.03 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 2gba s ALA 26 Cb -0.13 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2gba s ALA 26 CO -0.11 -0.48 0.47 1.63 0.00 0.00 0.00 175.76 177.27 2gba n LYS 27 N 0.56 -4.05 -2.95 0.00 4.01 -1.26 -1.86 118.16 112.61 2gba n LYS 27 Ca -0.19 0.84 -0.22 0.00 -0.51 0.00 0.00 58.31 58.23 2gba n LYS 27 Cb 0.59 -5.64 0.03 0.00 -0.51 0.00 0.00 35.03 29.51 2gba n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2gba n MET 28 N -3.77 -4.58 -3.84 1.97 2.81 -1.26 -4.99 117.12 103.46 2gba n MET 28 Ca -0.12 0.91 -0.12 0.00 -1.81 0.00 0.00 57.70 56.57 2gba n MET 28 Cb 0.62 -5.73 -0.10 0.00 -0.71 0.00 0.00 33.22 27.30 2gba n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2gba s LYS 29 N -5.63 0.50 -0.16 0.03 1.02 -0.78 -4.78 119.74 109.95 2gba s LYS 29 Ca 0.27 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 2gba s LYS 29 Cb -0.12 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 2gba s LYS 29 CO 0.34 -0.12 1.10 0.71 -0.92 0.00 0.00 175.35 176.45 2gba s TYR 30 N -1.23 3.27 0.16 3.18 2.02 -1.26 -1.89 117.35 121.59 2gba s TYR 30 Ca -0.13 1.37 0.31 0.00 -0.37 0.00 0.00 57.07 58.26 2gba s TYR 30 Cb -0.07 -3.32 1.32 0.00 -0.40 0.00 0.00 41.96 39.50 2gba s TYR 30 CO 0.02 -0.78 1.97 0.93 -1.57 0.00 0.00 175.55 176.12 2gba h GLU 31 N 7.51 0.00 -3.37 -0.62 5.08 -1.18 -3.25 114.58 118.75 2gba h GLU 31 Ca -0.26 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.46 2gba h GLU 31 Cb 1.11 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.95 2gba h GLU 31 CO 0.93 0.07 -0.61 0.99 -1.00 0.00 0.00 179.01 179.38 2gba s THR 32 N -3.73 2.67 -0.59 1.13 2.01 -1.26 -4.97 115.64 110.90 2gba s THR 32 Ca 0.00 -3.37 0.24 0.00 0.31 0.00 0.00 61.69 58.88 2gba s THR 32 Cb 0.10 -2.84 0.26 0.00 0.01 0.00 0.00 72.50 70.03 2gba s THR 32 CO 0.56 -0.82 1.74 -0.81 -0.69 0.00 0.00 174.62 174.60 2gba n PRO 33 N 3.05 0.21 -3.66 4.92 -0.04 -1.23 -4.35 135.00 133.91 2gba n PRO 33 Ca 0.06 0.34 -0.28 0.00 -0.04 0.00 0.00 63.50 63.58 2gba n PRO 33 Cb 0.32 -1.84 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 2gba n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2gba s GLU 34 N -3.23 0.44 -0.12 0.54 2.12 -1.26 -0.54 118.70 116.64 2gba s GLU 34 Ca 0.07 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 2gba s GLU 34 Cb 0.11 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.67 2gba s GLU 34 CO 0.47 -0.81 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.12 2gba s LEU 35 N 1.93 2.98 -0.19 2.70 2.96 -0.74 -5.02 118.68 123.30 2gba s LEU 35 Ca 0.04 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2gba s LEU 35 Cb -0.17 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2gba s LEU 35 CO -0.18 0.21 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.01 2gba s HIS 36 N 0.11 2.96 0.36 5.38 3.76 -1.26 -0.54 115.29 126.07 2gba s HIS 36 Ca -0.04 -0.66 0.04 0.00 -0.15 0.00 0.00 55.06 54.25 2gba s HIS 36 Cb -0.14 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2gba s HIS 36 CO 0.04 -0.33 0.13 0.14 -0.85 0.00 0.00 174.74 173.87 2gba s VAL 37 N 0.99 0.58 0.16 -0.90 -7.23 0.11 -4.98 120.40 109.15 2gba s VAL 37 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2gba s VAL 37 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2gba s VAL 37 CO 0.01 0.00 0.23 -0.54 -0.31 0.00 0.00 175.10 174.48 2gba s LYS 38 N -3.76 3.20 0.11 4.82 1.02 -1.26 -0.70 119.74 123.18 2gba s LYS 38 Ca 0.30 -0.73 -0.36 0.00 0.02 0.00 0.00 55.97 55.20 2gba s LYS 38 Cb 0.04 -2.82 -0.16 0.00 -0.52 0.00 0.00 37.83 34.37 2gba s LYS 38 CO 0.16 0.50 1.42 0.28 -0.92 0.00 0.00 175.35 176.79 2gba n VAL 39 N -0.53 0.00 0.00 3.17 0.31 -0.48 -1.36 118.33 119.44 2gba n VAL 39 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2gba n VAL 39 Cb 0.55 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2gba n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gba n GLY 40 N 2.83 0.61 3.78 2.92 0.00 0.10 -5.01 105.19 110.42 2gba n GLY 40 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2gba n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gba s ASP 41 N -2.28 6.91 -0.18 1.61 1.01 -0.46 -4.74 116.67 118.53 2gba s ASP 41 Ca 0.00 2.00 -0.13 0.00 0.71 0.00 0.00 52.55 55.13 2gba s ASP 41 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2gba s ASP 41 CO 0.00 -0.38 0.24 -0.89 0.21 0.00 0.00 175.17 174.35 2gba s THR 42 N -1.64 5.33 -0.09 -1.27 2.01 -1.26 -1.34 115.64 117.37 2gba s THR 42 Ca 0.56 0.43 -0.03 0.00 0.31 0.00 0.00 61.69 62.96 2gba s THR 42 Cb -0.21 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2gba s THR 42 CO 0.27 0.38 0.02 -0.69 -0.69 0.00 0.00 174.62 173.91 2gba s VAL 43 N 0.58 4.45 -0.13 3.82 1.01 0.39 -4.04 120.40 126.48 2gba s VAL 43 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2gba s VAL 43 Cb -0.13 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2gba s VAL 43 CO 0.03 0.60 -0.17 -0.89 0.00 0.00 0.00 175.10 174.67 2gba s THR 44 N -0.82 1.68 0.08 3.92 2.01 0.17 -1.10 115.64 121.57 2gba s THR 44 Ca 0.13 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 2gba s THR 44 Cb -0.11 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.79 2gba s THR 44 CO 0.02 0.48 0.56 0.26 -0.69 0.00 0.00 174.62 175.25 2gba s TRP 45 N 1.15 3.78 -0.11 4.92 0.51 -0.05 -0.81 118.94 128.34 2gba s TRP 45 Ca -0.02 1.24 -0.00 0.00 -2.12 0.00 0.00 56.10 55.20 2gba s TRP 45 Cb -0.14 -2.48 0.02 0.00 -0.81 0.00 0.00 33.47 30.07 2gba s TRP 45 CO -0.06 0.57 -0.07 0.42 -0.51 0.00 0.00 176.95 177.31 2gba s ILE 46 N -1.15 0.94 -0.21 2.03 1.01 -0.22 -1.32 121.20 122.27 2gba s ILE 46 Ca 0.30 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2gba s ILE 46 Cb -0.19 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 2gba s ILE 46 CO 0.19 0.35 1.19 0.21 0.00 0.00 0.00 174.94 176.88 2gba s ASN 47 N 1.72 6.95 0.00 3.58 2.47 -0.10 -1.06 114.94 128.50 2gba s ASN 47 Ca 0.05 1.49 0.23 0.00 0.42 0.00 0.00 52.86 55.04 2gba s ASN 47 Cb -0.13 -2.54 0.40 0.00 -1.45 0.00 0.00 41.25 37.54 2gba s ASN 47 CO -0.08 -0.79 1.37 0.54 -3.72 0.00 0.00 177.10 174.43 2gba n ARG 48 N 6.64 2.46 -4.37 0.43 5.12 0.26 -0.06 116.66 127.14 2gba n ARG 48 Ca 0.13 -2.25 -0.18 0.00 -1.93 0.00 0.00 57.85 53.62 2gba n ARG 48 Cb 0.46 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 2gba n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2gba s GLU 49 N -1.47 1.50 0.14 5.56 -1.05 -1.25 -4.79 118.70 117.35 2gba s GLU 49 Ca 0.37 -1.82 -0.15 0.00 -0.15 0.00 0.00 54.97 53.22 2gba s GLU 49 Cb 0.22 -0.50 0.01 0.00 -0.44 0.00 0.00 34.13 33.42 2gba s GLU 49 CO 0.31 -0.25 1.71 0.00 0.95 0.00 0.00 175.26 177.98 2gba h ALA 50 N 2.28 0.57 -2.50 -0.84 0.00 -1.95 -3.25 119.26 113.56 2gba h ALA 50 Ca -0.39 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 53.85 2gba h ALA 50 Cb 1.25 -0.17 0.06 0.00 0.00 0.00 0.00 17.79 18.93 2gba h ALA 50 CO 0.64 0.14 0.90 -0.12 0.00 0.00 0.00 179.25 180.82 2gba n MET 51 N -4.64 2.50 -1.99 0.00 0.00 -1.26 -4.33 117.12 107.41 2gba n MET 51 Ca 0.01 0.90 -0.40 0.00 0.00 0.00 0.00 57.70 58.21 2gba n MET 51 Cb 0.13 -2.71 -0.00 0.00 0.00 0.00 0.00 33.22 30.63 2gba n MET 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2gba s GLY 52 N 0.98 2.95 0.02 -5.12 0.00 -1.26 -4.77 107.32 100.12 2gba s GLY 52 Ca 0.75 1.34 -0.04 0.00 0.00 0.00 0.00 44.72 46.77 2gba s GLY 52 CO 0.36 1.96 0.06 0.30 0.00 0.00 0.00 173.10 175.78 2gba s HIS 53 N -1.20 0.20 0.10 1.90 4.02 -1.07 -4.94 115.29 114.29 2gba s HIS 53 Ca 0.55 -0.45 0.02 0.00 1.02 0.00 0.00 55.06 56.20 2gba s HIS 53 Cb -0.41 -0.15 -0.01 0.00 -1.02 0.00 0.00 32.58 31.00 2gba s HIS 53 CO 0.53 -0.30 0.06 0.27 1.02 0.00 0.00 174.74 176.33 2gba n ASN 54 N 1.14 0.27 -4.20 1.40 6.94 -1.26 -0.59 115.26 118.97 2gba n ASN 54 Ca -0.21 -1.60 -0.27 0.00 -0.02 0.00 0.00 54.58 52.48 2gba n ASN 54 Cb 0.57 0.39 -0.16 0.00 -2.36 0.00 0.00 39.78 38.23 2gba n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2gba s VAL 55 N -2.22 1.57 -0.07 3.53 -7.23 -1.26 -4.37 120.40 110.36 2gba s VAL 55 Ca 0.09 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2gba s VAL 55 Cb 0.00 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.67 2gba s VAL 55 CO 0.06 0.45 0.09 -2.28 -0.31 0.00 0.00 175.10 173.10 2gba s HIS 56 N -0.38 0.02 -0.19 2.82 5.04 0.47 -0.30 115.29 122.77 2gba s HIS 56 Ca 0.05 0.25 -0.05 0.00 -1.54 0.00 0.00 55.06 53.78 2gba s HIS 56 Cb -0.09 -0.46 -0.03 0.00 0.04 0.00 0.00 32.58 32.05 2gba s HIS 56 CO -0.00 -0.26 -0.00 -0.06 -2.34 0.00 0.00 174.74 172.08 2gba s PHE 57 N 2.19 3.05 0.94 3.88 0.40 -0.09 -1.30 117.98 127.04 2gba s PHE 57 Ca 0.04 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2gba s PHE 57 Cb -0.13 -2.07 0.15 0.00 0.51 0.00 0.00 43.02 41.49 2gba s PHE 57 CO -0.04 -0.20 1.12 0.14 0.70 0.00 0.00 175.22 176.94 2gba s VAL 58 N 0.89 2.08 0.42 -0.44 -7.23 -1.26 -0.66 120.40 114.21 2gba s VAL 58 Ca 0.01 0.03 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 2gba s VAL 58 Cb -0.14 -2.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.02 2gba s VAL 58 CO 0.02 -0.03 1.34 0.00 -0.31 0.00 0.00 175.10 176.12 2gba n ALA 59 N -3.89 1.63 -0.13 1.32 0.00 -1.26 -2.13 120.51 116.04 2gba n ALA 59 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2gba n ALA 59 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2gba n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gba n GLY 60 N 0.70 1.66 0.05 0.00 0.00 -0.12 -4.86 105.19 102.62 2gba n GLY 60 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2gba n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gba h VAL 61 N 0.00 0.00 -0.22 1.61 2.07 -1.72 -3.40 116.25 114.59 2gba h VAL 61 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2gba h VAL 61 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2gba h VAL 61 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 2gba n LEU 62 N -4.61 3.09 0.00 2.57 4.77 -1.26 -4.93 117.00 116.64 2gba n LEU 62 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2gba n LEU 62 Cb 0.04 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2gba n LEU 62 CO 0.02 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2gba n GLY 63 N 1.28 -1.45 0.22 -0.72 0.00 -1.26 -0.43 105.19 102.83 2gba n GLY 63 Ca 0.15 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2gba n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gba h GLU 64 N 0.00 -0.46 -6.99 1.61 3.07 -1.96 -0.28 114.58 109.56 2gba h GLU 64 Ca 0.00 0.03 -0.49 0.00 -0.50 0.00 0.00 59.36 58.40 2gba h GLU 64 Cb 0.00 0.11 0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2gba h GLU 64 CO 0.00 -0.29 0.16 0.00 -1.40 0.00 0.00 179.01 177.48 2gba s ALA 65 N -6.01 3.35 0.46 3.43 0.00 -1.26 -2.42 121.76 119.30 2gba s ALA 65 Ca -0.15 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2gba s ALA 65 Cb 0.04 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.40 2gba s ALA 65 CO 0.63 -0.37 1.27 0.00 0.00 0.00 0.00 175.76 177.30 2gba n ALA 66 N -2.24 1.32 -3.51 0.00 0.00 -1.26 -4.24 120.51 110.58 2gba n ALA 66 Ca 0.02 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2gba n ALA 66 Cb 0.55 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 2gba n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2gba s LEU 67 N -2.05 5.85 -0.47 0.00 0.20 0.17 -4.89 118.68 117.48 2gba s LEU 67 Ca 0.64 -2.10 -0.14 0.00 0.69 0.00 0.00 54.13 53.22 2gba s LEU 67 Cb -0.48 -2.04 0.08 0.00 -0.43 0.00 0.00 46.19 43.31 2gba s LEU 67 CO 0.56 -0.67 0.38 -0.75 -0.29 0.00 0.00 176.35 175.58 2gba s LYS 68 N 1.09 2.90 0.84 1.98 2.20 -1.26 -0.92 119.74 126.58 2gba s LYS 68 Ca 0.08 -1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 54.18 2gba s LYS 68 Cb -0.24 -4.07 0.10 0.00 -1.51 0.00 0.00 37.83 32.10 2gba s LYS 68 CO -0.02 -1.04 1.09 0.20 -0.36 0.00 0.00 175.35 175.23 2gba s GLY 69 N 2.58 1.64 0.59 5.54 0.00 0.58 -5.00 107.32 113.26 2gba s GLY 69 Ca 0.04 0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 2gba s GLY 69 CO 0.05 0.52 1.08 2.56 0.00 0.00 0.00 173.10 177.31 2gba s PRO 70 N -4.91 3.24 0.03 2.90 0.04 -1.26 -4.66 135.00 130.38 2gba s PRO 70 Ca 0.62 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2gba s PRO 70 Cb -0.18 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2gba s PRO 70 CO 0.57 -0.88 1.38 -1.64 0.04 0.00 0.00 177.00 176.46 2gba s MET 71 N -3.91 4.31 -0.16 4.56 -1.94 -1.26 -4.54 119.30 116.35 2gba s MET 71 Ca 0.66 1.96 -0.18 0.00 -1.71 0.00 0.00 55.69 56.42 2gba s MET 71 Cb -0.18 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.14 2gba s MET 71 CO 0.35 -0.51 0.49 -1.64 -0.01 0.00 0.00 175.02 173.70 2gba s MET 72 N 1.99 4.26 0.94 2.03 -1.94 0.24 -4.82 119.30 122.00 2gba s MET 72 Ca 0.63 0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 54.87 2gba s MET 72 Cb -0.32 -3.50 0.20 0.00 2.01 0.00 0.00 34.83 33.21 2gba s MET 72 CO 0.27 0.00 1.30 0.15 -0.01 0.00 0.00 175.02 176.73 2gba s LYS 73 N 1.14 0.70 0.27 2.03 1.02 -1.26 -2.61 119.74 121.04 2gba s LYS 73 Ca 0.24 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 2gba s LYS 73 Cb -0.15 -1.89 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2gba s LYS 73 CO 0.10 -2.35 1.44 1.17 -0.92 0.00 0.00 175.35 174.79 2gba n LYS 74 N -3.70 2.23 -2.39 1.68 4.81 -1.23 -1.64 118.16 117.93 2gba n LYS 74 Ca 0.15 0.79 -0.18 0.00 -0.87 0.00 0.00 58.31 58.20 2gba n LYS 74 Cb 0.59 -2.47 -0.01 0.00 0.02 0.00 0.00 35.03 33.17 2gba n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gba n GLU 75 N 1.82 -1.68 -4.23 1.64 -0.58 0.91 -5.00 120.64 113.53 2gba n GLU 75 Ca 0.10 0.87 -0.25 0.00 -0.42 0.00 0.00 57.16 57.46 2gba n GLU 75 Cb 0.34 -5.39 -0.07 0.00 -0.57 0.00 0.00 31.44 25.74 2gba n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2gba s GLN 76 N -4.96 2.41 0.13 3.49 -0.21 -0.65 -0.79 119.66 119.08 2gba s GLN 76 Ca 0.02 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.23 2gba s GLN 76 Cb -0.01 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 2gba s GLN 76 CO 0.03 0.42 -0.10 0.00 -2.12 0.00 0.00 175.29 173.52 2gba s ALA 77 N -1.97 1.32 -0.18 6.09 0.00 0.12 -0.92 121.76 126.22 2gba s ALA 77 Ca 0.29 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 2gba s ALA 77 Cb -0.08 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2gba s ALA 77 CO 0.20 -0.11 0.47 -0.47 0.00 0.00 0.00 175.76 175.84 2gba s TYR 78 N -3.23 -0.59 0.14 0.00 5.04 -0.43 -1.33 117.35 116.95 2gba s TYR 78 Ca 0.14 1.34 0.10 0.00 -2.44 0.00 0.00 57.07 56.21 2gba s TYR 78 Cb 0.02 0.24 -0.04 0.00 0.35 0.00 0.00 41.96 42.53 2gba s TYR 78 CO -0.00 -0.30 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.57 2gba s SER 79 N 0.73 3.64 -0.01 4.32 0.01 -1.26 -0.87 113.70 120.27 2gba s SER 79 Ca -0.04 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.55 2gba s SER 79 Cb -0.05 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.79 2gba s SER 79 CO -0.05 0.16 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 2gba s LEU 80 N -2.29 1.77 -0.27 2.44 1.43 -0.26 -4.14 118.68 117.36 2gba s LEU 80 Ca 0.18 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2gba s LEU 80 Cb -0.10 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 2gba s LEU 80 CO 0.09 0.02 0.09 -0.89 0.23 0.00 0.00 176.35 175.89 2gba s THR 81 N 0.22 4.33 -0.13 5.49 2.01 -0.02 -0.46 115.64 127.07 2gba s THR 81 Ca -0.02 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 2gba s THR 81 Cb -0.06 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2gba s THR 81 CO -0.00 0.23 0.55 -0.36 -0.69 0.00 0.00 174.62 174.35 2gba s PHE 82 N 1.60 3.48 -0.84 4.92 0.40 -0.45 -0.52 117.98 126.56 2gba s PHE 82 Ca 0.05 0.95 0.08 0.00 -0.60 0.00 0.00 56.93 57.41 2gba s PHE 82 Cb -0.16 -2.66 0.03 0.00 0.51 0.00 0.00 43.02 40.74 2gba s PHE 82 CO 0.04 0.05 0.65 0.25 0.70 0.00 0.00 175.22 176.91 2gba n THR 83 N 4.01 0.00 -3.79 0.64 -2.24 0.03 0.02 114.28 112.96 2gba n THR 83 Ca -0.05 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2gba n THR 83 Cb 0.51 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 69.74 2gba n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gba s GLU 84 N -0.86 0.19 0.51 -0.78 2.12 -1.25 -4.75 118.70 113.88 2gba s GLU 84 Ca 0.08 0.31 -0.23 0.00 0.36 0.00 0.00 54.97 55.49 2gba s GLU 84 Cb 0.06 0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 2gba s GLU 84 CO 0.14 -0.07 1.34 0.00 -0.54 0.00 0.00 175.26 176.13 2gba s ALA 85 N 0.45 2.92 0.00 6.30 0.00 -1.26 -4.83 121.76 125.35 2gba s ALA 85 Ca -0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2gba s ALA 85 Cb -0.04 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2gba s ALA 85 CO -0.02 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2gba n GLY 86 N 0.66 -2.08 3.23 0.00 0.00 -0.52 -4.96 105.19 101.53 2gba n GLY 86 Ca 0.09 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2gba n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gba s THR 87 N -2.55 2.76 -0.32 2.61 2.01 -1.26 -0.79 115.64 118.11 2gba s THR 87 Ca 0.00 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.32 2gba s THR 87 Cb 0.00 -2.21 0.09 0.00 0.01 0.00 0.00 72.50 70.39 2gba s THR 87 CO 0.00 0.48 0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 2gba s TYR 88 N 1.31 3.13 0.35 4.92 2.02 0.16 -4.99 117.35 124.24 2gba s TYR 88 Ca 0.04 -2.54 -0.24 0.00 -0.37 0.00 0.00 57.07 53.96 2gba s TYR 88 Cb -0.14 -2.43 -0.10 0.00 -0.40 0.00 0.00 41.96 38.89 2gba s TYR 88 CO -0.07 -0.91 0.93 -0.51 -1.57 0.00 0.00 175.55 173.42 2gba s ASP 89 N 1.13 7.19 0.17 2.29 1.01 -1.26 -1.02 116.67 126.17 2gba s ASP 89 Ca 0.07 1.76 -0.07 0.00 0.71 0.00 0.00 52.55 55.02 2gba s ASP 89 Cb -0.19 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2gba s ASP 89 CO -0.11 -0.15 0.24 -0.72 0.21 0.00 0.00 175.17 174.64 2gba s TYR 90 N -1.78 0.55 0.28 4.23 1.13 -0.03 -4.56 117.35 117.16 2gba s TYR 90 Ca 0.53 -0.90 -0.02 0.00 -1.41 0.00 0.00 57.07 55.27 2gba s TYR 90 Cb -0.16 -0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 40.52 2gba s TYR 90 CO 0.20 -0.69 0.33 -3.38 -2.51 0.00 0.00 175.55 169.50 2gba s HIS 91 N -4.00 1.08 -0.20 -3.49 -3.43 -0.42 -1.25 115.29 103.57 2gba s HIS 91 Ca 0.21 -1.27 -0.15 0.00 -0.80 0.00 0.00 55.06 53.04 2gba s HIS 91 Cb 0.04 -0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 30.86 2gba s HIS 91 CO 0.02 -0.91 0.36 0.00 -2.00 0.00 0.00 174.74 172.22 2gba h THR 93 N 5.01 0.25 0.00 0.00 2.02 -1.92 -2.00 112.91 116.27 2gba h THR 93 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2gba h THR 93 Cb 1.16 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2gba h THR 93 CO 0.71 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.15 2gba h PRO 94 N -0.71 0.00 -2.10 6.66 0.13 -1.95 -3.37 132.00 130.66 2gba h PRO 94 Ca -0.01 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.54 2gba h PRO 94 Cb 0.67 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.39 2gba h PRO 94 CO -0.11 0.00 -0.84 0.72 -0.23 0.00 0.00 178.00 177.54 2gba n HIS 95 N -3.00 1.74 0.92 1.56 8.25 -0.81 -4.97 115.22 118.90 2gba n HIS 95 Ca 0.02 -3.87 0.09 0.00 -0.26 0.00 0.00 57.72 53.70 2gba n HIS 95 Cb 0.36 -0.46 0.48 0.00 1.12 0.00 0.00 29.99 31.50 2gba n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2gba n PRO 96 N 1.09 0.29 0.30 -0.41 -0.04 -0.84 -0.67 135.00 134.72 2gba n PRO 96 Ca 0.26 0.10 0.19 0.00 -0.04 0.00 0.00 63.50 64.01 2gba n PRO 96 Cb 0.47 -1.50 0.93 0.00 -0.04 0.00 0.00 33.50 33.36 2gba n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2gba h PHE 97 N 0.00 0.00 -3.21 0.54 -5.15 -1.93 -3.42 116.94 103.77 2gba h PHE 97 Ca 0.00 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 57.19 2gba h PHE 97 Cb 0.17 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.27 2gba h PHE 97 CO 0.00 0.02 0.77 -1.64 -2.00 0.00 0.00 178.31 175.46 2gba s MET 98 N -3.97 4.16 0.01 6.09 -1.94 0.15 -5.02 119.30 118.78 2gba s MET 98 Ca -0.02 1.17 0.04 0.00 -1.71 0.00 0.00 55.69 55.17 2gba s MET 98 Cb 0.11 -3.68 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 2gba s MET 98 CO 0.49 -0.73 -0.12 1.03 -0.01 0.00 0.00 175.02 175.68 2gba s ARG 99 N 3.34 0.88 0.33 2.03 1.81 -1.26 -2.24 118.95 123.83 2gba s ARG 99 Ca 0.43 -0.57 -0.04 0.00 -1.72 0.00 0.00 55.73 53.83 2gba s ARG 99 Cb -0.14 -0.85 0.00 0.00 -0.45 0.00 0.00 34.95 33.51 2gba s ARG 99 CO 0.10 0.22 0.47 0.20 -0.68 0.00 0.00 175.30 175.62 2gba s GLY 100 N -0.72 1.33 -0.03 -3.53 0.00 -0.38 -4.77 107.32 99.23 2gba s GLY 100 Ca 0.02 -1.42 -0.14 0.00 0.00 0.00 0.00 44.72 43.18 2gba s GLY 100 CO 0.00 -0.94 0.30 -1.59 0.00 0.00 0.00 173.10 170.87 2gba s LYS 101 N -3.18 0.61 -0.19 2.90 -2.85 0.30 -0.85 119.74 116.47 2gba s LYS 101 Ca 0.29 -0.10 -0.03 0.00 -1.00 0.00 0.00 55.97 55.14 2gba s LYS 101 Cb -0.00 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2gba s LYS 101 CO 0.18 -0.16 -0.07 0.08 0.10 0.00 0.00 175.35 175.48 2gba s VAL 102 N -1.08 3.26 -0.29 1.79 1.01 -0.19 -1.80 120.40 123.11 2gba s VAL 102 Ca -0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2gba s VAL 102 Cb -0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2gba s VAL 102 CO 0.03 0.46 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 2gba s VAL 103 N 1.09 4.70 -0.22 2.92 1.01 0.30 -0.66 120.40 129.53 2gba s VAL 103 Ca 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2gba s VAL 103 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2gba s VAL 103 CO -0.01 0.19 0.04 -0.69 0.00 0.00 0.00 175.10 174.63 2gba s VAL 104 N 1.65 4.25 0.00 2.92 1.01 0.03 -0.71 120.40 129.56 2gba s VAL 104 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2gba s VAL 104 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2gba s VAL 104 CO 0.07 0.40 0.39 -0.62 0.00 0.00 0.00 175.10 175.33