#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtl n GLU 4 N 0.00 0.88 -0.21 -1.40 0.28 -1.26 -4.38 120.64 114.54 2gtl n GLU 4 Ca 0.00 -1.29 0.12 0.00 -0.16 0.00 0.00 57.16 55.82 2gtl n GLU 4 Cb 0.00 -1.23 0.25 0.00 1.43 0.00 0.00 31.44 31.89 2gtl n GLU 4 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2gtl n HIS 5 N 0.63 0.56 -2.96 -1.84 8.25 -1.26 -4.86 115.22 113.74 2gtl n HIS 5 Ca 0.07 -0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 56.84 2gtl n HIS 5 Cb 0.30 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 2gtl n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gtl s SER 8 N -3.02 3.86 0.14 0.00 1.04 -1.26 -4.70 113.70 109.77 2gtl s SER 8 Ca 0.02 0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 2gtl s SER 8 Cb -0.01 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2gtl s SER 8 CO 0.79 -2.22 1.59 -0.33 0.98 0.00 0.00 173.24 174.05 2gtl h GLU 9 N -1.08 -0.40 -0.06 4.02 4.39 -1.97 1.00 114.58 120.49 2gtl h GLU 9 Ca -0.42 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.33 2gtl h GLU 9 Cb 1.26 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 2gtl h GLU 9 CO 0.44 -0.26 -0.04 0.93 -1.16 0.00 0.00 179.01 178.91 2gtl h GLU 10 N -0.41 -0.04 -0.32 2.33 4.39 -1.98 0.35 114.58 118.90 2gtl h GLU 10 Ca 0.10 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2gtl h GLU 10 Cb 0.59 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 2gtl h GLU 10 CO -0.43 -0.02 -0.25 -0.44 -1.16 0.00 0.00 179.01 176.70 2gtl h ASP 11 N -0.04 -0.89 0.40 1.42 3.45 -1.52 0.36 116.42 119.61 2gtl h ASP 11 Ca 0.04 0.13 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 2gtl h ASP 11 Cb 0.09 0.38 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2gtl h ASP 11 CO -0.09 -0.13 -0.51 1.12 -1.57 0.00 0.00 179.24 178.06 2gtl h HIS 12 N -0.08 0.15 -0.92 4.55 2.07 -0.76 -1.54 115.15 118.62 2gtl h HIS 12 Ca 0.05 -0.05 0.17 0.00 -2.85 0.00 0.00 60.37 57.69 2gtl h HIS 12 Cb 0.21 -0.03 -0.08 0.00 2.57 0.00 0.00 27.41 30.09 2gtl h HIS 12 CO -0.84 0.61 0.59 -0.09 -3.07 0.00 0.00 177.93 175.13 2gtl h ARG 13 N 0.10 0.61 0.63 5.12 2.43 0.76 0.42 114.38 124.45 2gtl h ARG 13 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2gtl h ARG 13 Cb 0.94 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2gtl h ARG 13 CO 0.07 0.40 -0.30 0.82 -1.51 0.00 0.00 179.97 179.45 2gtl h ILE 14 N 0.63 0.05 -0.62 1.20 1.08 -0.02 -1.95 117.51 117.88 2gtl h ILE 14 Ca 0.48 -0.38 0.10 0.00 -0.39 0.00 0.00 64.86 64.67 2gtl h ILE 14 Cb 0.89 0.07 -0.11 0.00 -3.07 0.00 0.00 36.82 34.60 2gtl h ILE 14 CO -0.23 0.01 -0.38 0.58 -0.69 0.00 0.00 178.15 177.43 2gtl h VAL 15 N -1.20 0.12 -0.50 1.67 2.07 -0.40 0.13 116.25 118.14 2gtl h VAL 15 Ca -0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2gtl h VAL 15 Cb 0.66 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 2gtl h VAL 15 CO 0.14 0.00 -0.07 1.56 0.02 0.00 0.00 177.57 179.22 2gtl h GLN 16 N -0.18 0.05 -0.32 1.57 4.20 -0.22 0.15 115.11 120.36 2gtl h GLN 16 Ca 0.22 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.94 2gtl h GLN 16 Cb 0.56 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2gtl h GLN 16 CO -0.71 0.03 0.18 -0.22 -0.67 0.00 0.00 178.83 177.44 2gtl h LYS 17 N 0.05 0.35 -0.13 1.46 3.64 -0.01 -2.40 116.57 119.53 2gtl h LYS 17 Ca 0.25 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2gtl h LYS 17 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2gtl h LYS 17 CO -0.47 0.23 -0.37 1.96 -2.27 0.00 0.00 179.45 178.53 2gtl h GLN 18 N 0.36 0.26 0.00 1.90 4.20 -0.07 -2.35 115.11 119.42 2gtl h GLN 18 Ca 0.13 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gtl h GLN 18 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2gtl h GLN 18 CO -0.07 0.60 0.00 2.35 -0.67 0.00 0.00 178.83 181.03 2gtl h TRP 19 N 0.23 0.00 0.00 2.96 2.91 -0.41 -2.83 115.95 118.80 2gtl h TRP 19 Ca 0.03 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 2gtl h TRP 19 Cb 0.75 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.39 2gtl h TRP 19 CO 0.01 0.00 -0.47 -0.44 -1.03 0.00 0.00 178.44 176.51 2gtl h ASP 20 N 0.00 0.00 -0.69 2.65 3.32 -0.93 -3.19 116.42 117.58 2gtl h ASP 20 Ca 0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 2gtl h ASP 20 Cb 0.59 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2gtl h ASP 20 CO 0.00 0.37 0.57 0.40 -1.72 0.00 0.00 179.24 178.86 2gtl h ILE 21 N 0.00 0.48 0.24 0.35 2.04 -1.48 -2.36 117.51 116.77 2gtl h ILE 21 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2gtl h ILE 21 Cb 1.29 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2gtl h ILE 21 CO 0.05 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 178.01 2gtl h LEU 22 N 0.00 -0.27 -2.56 1.44 3.38 -1.74 -3.33 115.31 112.24 2gtl h LEU 22 Ca 0.33 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2gtl h LEU 22 Cb 1.47 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 2gtl h LEU 22 CO -0.00 0.12 0.07 0.79 0.09 0.00 0.00 178.44 179.51 2gtl n TRP 23 N -5.06 0.29 0.04 1.13 5.03 -0.89 -4.25 117.44 113.72 2gtl n TRP 23 Ca -0.09 -0.85 -0.12 0.00 3.03 0.00 0.00 57.50 59.47 2gtl n TRP 23 Cb 0.25 -0.43 -0.00 0.00 -1.03 0.00 0.00 31.31 30.10 2gtl n TRP 23 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2gtl h ARG 24 N 0.50 0.47 -5.84 -0.99 3.08 -1.68 -3.44 114.38 106.49 2gtl h ARG 24 Ca 0.06 -0.41 -0.64 0.00 0.07 0.00 0.00 59.98 59.06 2gtl h ARG 24 Cb 1.09 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 2gtl h ARG 24 CO 0.12 1.05 -0.41 0.16 -1.07 0.00 0.00 179.97 179.82 2gtl s ASP 25 N -7.02 6.47 0.66 7.04 3.84 -1.26 -4.99 116.67 121.41 2gtl s ASP 25 Ca -0.06 0.54 0.32 0.00 -0.00 0.00 0.00 52.55 53.34 2gtl s ASP 25 Cb 0.10 -2.08 1.77 0.00 -1.38 0.00 0.00 42.92 41.32 2gtl s ASP 25 CO 0.86 0.29 2.01 0.71 -0.00 0.00 0.00 175.17 179.03 2gtl h THR 26 N 3.25 0.04 -0.44 2.11 1.35 -1.97 -3.17 112.91 114.08 2gtl h THR 26 Ca -0.51 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.04 2gtl h THR 26 Cb 1.20 0.73 -0.11 0.00 -1.73 0.00 0.00 68.15 68.24 2gtl h THR 26 CO 0.64 0.00 -0.01 -0.62 -0.25 0.00 0.00 175.52 175.28 2gtl n GLU 27 N -3.00 2.07 -0.32 4.72 -0.58 -1.26 -4.54 120.64 117.74 2gtl n GLU 27 Ca -0.02 -1.49 0.02 0.00 -0.42 0.00 0.00 57.16 55.26 2gtl n GLU 27 Cb 0.34 -1.96 0.16 0.00 -0.57 0.00 0.00 31.44 29.41 2gtl n GLU 27 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2gtl h SER 28 N 2.76 0.83 -0.08 1.62 4.64 -1.93 -2.74 113.55 118.65 2gtl h SER 28 Ca 0.26 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.65 2gtl h SER 28 Cb 1.14 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2gtl h SER 28 CO 0.50 0.51 -0.42 0.77 -0.87 0.00 0.00 176.83 177.32 2gtl h SER 29 N 0.96 -1.30 -0.95 4.97 4.64 -1.93 0.59 113.55 120.53 2gtl h SER 29 Ca 0.40 0.17 0.18 0.00 -0.47 0.00 0.00 61.79 62.07 2gtl h SER 29 Cb 0.26 0.52 -0.10 0.00 -0.31 0.00 0.00 62.40 62.77 2gtl h SER 29 CO -0.20 -0.44 0.55 0.50 -0.87 0.00 0.00 176.83 176.36 2gtl h LYS 30 N -0.52 0.68 0.02 4.77 1.63 -1.87 0.37 116.57 121.65 2gtl h LYS 30 Ca 0.06 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2gtl h LYS 30 Cb 0.63 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2gtl h LYS 30 CO -0.37 0.45 -0.01 0.82 -3.45 0.00 0.00 179.45 176.89 2gtl h ILE 31 N 0.70 0.00 -0.90 2.00 2.04 -1.07 -2.00 117.51 118.28 2gtl h ILE 31 Ca 0.54 -0.03 0.20 0.00 1.00 0.00 0.00 64.86 66.57 2gtl h ILE 31 Cb 0.84 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.75 2gtl h ILE 31 CO -0.39 0.00 -0.16 0.29 0.00 0.00 0.00 178.15 177.90 2gtl n LYS 32 N -2.16 -0.08 0.11 2.37 5.02 0.19 -0.02 118.16 123.60 2gtl n LYS 32 Ca -0.00 1.38 -0.05 0.00 -2.02 0.00 0.00 58.31 57.62 2gtl n LYS 32 Cb 0.01 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 32.90 2gtl n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2gtl h ILE 33 N 0.00 0.00 -0.82 -0.18 2.04 -1.02 0.39 117.51 117.92 2gtl h ILE 33 Ca 0.46 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.49 2gtl h ILE 33 Cb 0.78 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.71 2gtl h ILE 33 CO -0.90 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 178.29 2gtl h GLY 34 N -0.29 0.62 0.80 5.37 0.00 -0.33 1.05 103.07 110.28 2gtl h GLY 34 Ca -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2gtl h GLY 34 CO 0.05 -0.32 -0.15 -2.75 0.00 0.00 0.00 176.54 173.37 2gtl h PHE 35 N 0.01 -0.38 -0.52 5.60 3.57 -0.37 -0.49 116.94 124.35 2gtl h PHE 35 Ca 0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 2gtl h PHE 35 Cb 0.62 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2gtl h PHE 35 CO -0.63 -0.11 0.29 0.78 -2.23 0.00 0.00 178.31 176.41 2gtl h GLY 36 N -0.62 0.76 0.93 2.40 0.00 0.81 0.48 103.07 107.83 2gtl h GLY 36 Ca -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2gtl h GLY 36 CO 0.07 0.31 -0.42 -0.09 0.00 0.00 0.00 176.54 176.41 2gtl h ARG 37 N 0.72 -1.06 -0.38 4.80 2.43 0.13 -1.21 114.38 119.81 2gtl h ARG 37 Ca 0.19 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 2gtl h ARG 37 Cb 0.01 0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 2gtl h ARG 37 CO -0.03 -0.71 -0.04 1.25 -1.51 0.00 0.00 179.97 178.94 2gtl h LEU 38 N -1.10 -0.23 -0.52 3.80 6.46 -0.58 -0.42 115.31 122.72 2gtl h LEU 38 Ca -0.10 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2gtl h LEU 38 Cb 0.86 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.90 2gtl h LEU 38 CO 0.15 -0.08 0.08 -0.07 -0.62 0.00 0.00 178.44 177.90 2gtl h LEU 39 N 0.06 -0.05 -0.33 2.25 3.38 -0.68 0.77 115.31 120.70 2gtl h LEU 39 Ca 0.19 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2gtl h LEU 39 Cb 0.28 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2gtl h LEU 39 CO -0.35 -0.00 -0.28 -0.07 0.09 0.00 0.00 178.44 177.84 2gtl h LEU 40 N 0.21 0.81 0.38 1.67 3.38 -0.70 -2.87 115.31 118.19 2gtl h LEU 40 Ca 0.26 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2gtl h LEU 40 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2gtl h LEU 40 CO -0.36 1.10 -0.51 0.74 0.09 0.00 0.00 178.44 179.50 2gtl h THR 41 N 0.54 0.00 0.00 0.22 2.02 -0.40 0.36 112.91 115.66 2gtl h THR 41 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2gtl h THR 41 Cb 0.84 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2gtl h THR 41 CO 0.07 0.00 0.21 0.50 0.37 0.00 0.00 175.52 176.67 2gtl h LYS 42 N -0.92 0.00 0.00 6.66 1.63 -0.91 0.13 116.57 123.16 2gtl h LYS 42 Ca -0.05 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2gtl h LYS 42 Cb 0.83 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2gtl h LYS 42 CO -0.13 0.00 -0.37 1.25 -3.45 0.00 0.00 179.45 176.75 2gtl h LEU 43 N 0.00 0.00 -2.27 5.20 5.85 -0.75 -3.19 115.31 120.16 2gtl h LEU 43 Ca 0.00 -0.72 0.02 0.00 0.84 0.00 0.00 57.88 58.01 2gtl h LEU 43 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2gtl h LEU 43 CO 0.00 1.08 0.05 0.00 -0.34 0.00 0.00 178.44 179.23 2gtl h ALA 44 N -0.28 1.76 0.02 1.25 0.00 0.42 0.25 119.26 122.69 2gtl h ALA 44 Ca -0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gtl h ALA 44 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2gtl h ALA 44 CO -0.06 -0.08 -0.01 -0.22 0.00 0.00 0.00 179.25 178.88 2gtl h LYS 45 N 0.00 -0.02 0.00 0.00 1.63 -0.96 -2.92 116.57 114.30 2gtl h LYS 45 Ca 0.03 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2gtl h LYS 45 Cb 0.14 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2gtl h LYS 45 CO -0.00 0.20 -0.23 -0.44 -3.45 0.00 0.00 179.45 175.52 2gtl h ASP 46 N -0.24 0.00 -2.24 4.20 3.45 -1.32 -3.41 116.42 116.86 2gtl h ASP 46 Ca -0.00 0.00 -0.39 0.00 0.43 0.00 0.00 57.03 57.07 2gtl h ASP 46 Cb 0.23 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 38.66 2gtl h ASP 46 CO 0.00 0.23 -0.69 -0.63 -1.57 0.00 0.00 179.24 176.58 2gtl s ILE 47 N -3.10 -0.29 0.37 0.35 1.01 -0.00 -5.04 121.20 114.50 2gtl s ILE 47 Ca 0.06 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.04 2gtl s ILE 47 Cb 0.06 -0.93 0.16 0.00 0.01 0.00 0.00 42.46 41.76 2gtl s ILE 47 CO 0.70 -0.58 1.90 1.55 0.00 0.00 0.00 174.94 178.51 2gtl h PRO 48 N 7.92 0.34 0.00 2.79 0.13 -1.76 -2.92 132.00 138.51 2gtl h PRO 48 Ca -0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2gtl h PRO 48 Cb 1.05 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2gtl h PRO 48 CO 0.32 0.45 0.08 -0.85 -0.23 0.00 0.00 178.00 177.76 2gtl n GLU 49 N -4.27 0.00 0.03 0.86 0.28 -1.26 0.47 120.64 116.74 2gtl n GLU 49 Ca 0.00 0.22 -0.19 0.00 -0.16 0.00 0.00 57.16 57.03 2gtl n GLU 49 Cb 0.26 -1.58 -0.14 0.00 1.43 0.00 0.00 31.44 31.41 2gtl n GLU 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2gtl h VAL 50 N 0.00 1.55 -1.39 3.84 2.07 -1.86 -3.31 116.25 117.16 2gtl h VAL 50 Ca 0.00 -2.47 0.43 0.00 0.82 0.00 0.00 66.70 65.48 2gtl h VAL 50 Cb 0.17 3.19 -0.11 0.00 -1.52 0.00 0.00 31.29 33.02 2gtl h VAL 50 CO 0.00 0.69 0.93 0.78 0.02 0.00 0.00 177.57 179.99 2gtl h ASN 51 N -0.45 0.20 0.94 0.57 2.35 -0.19 1.02 115.58 120.02 2gtl h ASN 51 Ca -0.11 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 2gtl h ASN 51 Cb 1.52 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.95 2gtl h ASN 51 CO 0.13 -0.11 -0.58 0.44 -1.65 0.00 0.00 177.43 175.66 2gtl h ASP 52 N 0.09 0.00 -0.10 5.81 3.45 -1.68 -2.44 116.42 121.56 2gtl h ASP 52 Ca 0.79 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 58.13 2gtl h ASP 52 Cb 2.64 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 41.41 2gtl h ASP 52 CO -0.30 0.58 -0.44 -0.07 -1.57 0.00 0.00 179.24 177.43 2gtl h LEU 53 N 0.00 0.57 -0.77 1.55 3.38 0.94 -3.07 115.31 117.90 2gtl h LEU 53 Ca -0.01 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2gtl h LEU 53 Cb 1.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2gtl h LEU 53 CO 0.08 1.10 0.00 0.49 0.09 0.00 0.00 178.44 180.20 2gtl n PHE 54 N -4.29 0.28 -0.17 1.13 0.99 -0.84 -3.92 117.46 110.64 2gtl n PHE 54 Ca -0.08 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.45 57.17 2gtl n PHE 54 Cb 0.57 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 39.05 2gtl n PHE 54 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2gtl h LYS 55 N 1.12 0.68 -0.89 -1.08 3.64 -1.33 -2.22 116.57 116.49 2gtl h LYS 55 Ca 0.00 -0.06 0.26 0.00 -1.27 0.00 0.00 60.65 59.57 2gtl h LYS 55 Cb 0.30 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2gtl h LYS 55 CO 0.01 0.50 0.64 -0.09 -2.27 0.00 0.00 179.45 178.24 2gtl h ARG 56 N 0.67 0.02 -0.57 1.90 1.12 -1.79 0.81 114.38 116.54 2gtl h ARG 56 Ca 0.18 -0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.87 2gtl h ARG 56 Cb -0.01 -0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 29.84 2gtl h ARG 56 CO -0.03 0.01 0.16 1.33 -3.11 0.00 0.00 179.97 178.33 2gtl n VAL 57 N -4.28 2.73 -3.78 0.20 0.24 -0.88 -4.96 118.33 107.61 2gtl n VAL 57 Ca 0.19 -1.93 -0.27 0.00 -2.04 0.00 0.00 64.34 60.28 2gtl n VAL 57 Cb 0.95 -0.33 0.02 0.00 -1.47 0.00 0.00 33.84 33.00 2gtl n VAL 57 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2gtl n ASP 58 N -0.48 -2.77 0.25 -1.34 2.03 0.28 -2.56 116.55 111.96 2gtl n ASP 58 Ca 0.36 -0.98 0.17 0.00 0.52 0.00 0.00 54.79 54.86 2gtl n ASP 58 Cb 1.23 -3.39 0.75 0.00 -0.72 0.00 0.00 41.12 38.98 2gtl n ASP 58 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2gtl h ILE 59 N -1.86 0.00 -0.60 5.18 2.10 -1.62 -2.07 117.51 118.64 2gtl h ILE 59 Ca -0.64 -0.29 0.06 0.00 1.08 0.00 0.00 64.86 65.07 2gtl h ILE 59 Cb 1.37 1.18 -0.04 0.00 -1.09 0.00 0.00 36.82 38.24 2gtl h ILE 59 CO 0.55 0.00 0.40 -0.08 -1.08 0.00 0.00 178.15 177.93 2gtl h GLU 60 N 0.00 0.54 -3.54 2.19 4.81 -1.87 -3.20 114.58 113.51 2gtl h GLU 60 Ca 0.00 -0.03 -0.73 0.00 -0.13 0.00 0.00 59.36 58.46 2gtl h GLU 60 Cb 0.32 -0.12 -0.32 0.00 0.63 0.00 0.00 28.75 29.26 2gtl h GLU 60 CO 0.00 0.36 -0.07 -1.01 -0.73 0.00 0.00 179.01 177.56 2gtl s HIS 61 N -5.51 3.76 0.26 0.92 3.76 -0.78 -4.94 115.29 112.76 2gtl s HIS 61 Ca -0.08 -2.66 -0.03 0.00 -0.15 0.00 0.00 55.06 52.13 2gtl s HIS 61 Cb 0.19 -3.43 0.53 0.00 1.11 0.00 0.00 32.58 30.98 2gtl s HIS 61 CO 0.75 -0.85 1.65 0.00 -0.85 0.00 0.00 174.74 175.44 2gtl h ALA 62 N 6.80 0.99 -0.00 -1.40 0.00 -1.77 0.27 119.26 124.16 2gtl h ALA 62 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2gtl h ALA 62 Cb 0.91 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gtl h ALA 62 CO 0.81 -0.41 -0.10 -0.85 0.00 0.00 0.00 179.25 178.69 2gtl n GLU 63 N -5.25 0.54 -2.04 0.00 0.00 -1.26 -4.17 120.64 108.46 2gtl n GLU 63 Ca 0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 57.16 56.75 2gtl n GLU 63 Cb 0.54 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.45 2gtl n GLU 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2gtl s GLY 64 N -2.56 1.73 0.30 -1.84 0.00 0.96 -4.77 107.32 101.14 2gtl s GLY 64 Ca 0.27 1.23 0.03 0.00 0.00 0.00 0.00 44.72 46.25 2gtl s GLY 64 CO 0.49 2.55 1.60 -0.56 0.00 0.00 0.00 173.10 177.17 2gtl h PRO 65 N 7.02 0.07 -0.84 2.90 0.13 -1.89 0.20 132.00 139.59 2gtl h PRO 65 Ca -0.42 -0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.87 2gtl h PRO 65 Cb 1.20 -0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2gtl h PRO 65 CO 0.90 0.05 -0.22 0.87 -0.23 0.00 0.00 178.00 179.37 2gtl h LYS 66 N 0.08 -0.00 0.13 0.86 1.79 -1.90 0.24 116.57 117.76 2gtl h LYS 66 Ca 0.59 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.87 2gtl h LYS 66 Cb 1.25 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.93 2gtl h LYS 66 CO -0.80 -0.00 -0.84 0.35 -1.08 0.00 0.00 179.45 177.08 2gtl h PHE 67 N -0.00 0.60 -0.88 -1.35 3.57 -0.41 -3.16 116.94 115.31 2gtl h PHE 67 Ca 0.40 -0.42 0.17 0.00 3.53 0.00 0.00 57.97 61.65 2gtl h PHE 67 Cb 0.61 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.22 2gtl h PHE 67 CO -0.67 1.31 0.45 0.77 -2.23 0.00 0.00 178.31 177.94 2gtl h SER 68 N -0.27 0.51 0.38 0.41 0.02 0.00 0.63 113.55 115.23 2gtl h SER 68 Ca -0.14 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2gtl h SER 68 Cb 1.63 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 2gtl h SER 68 CO 0.16 0.17 -0.26 0.00 -1.14 0.00 0.00 176.83 175.76 2gtl h ALA 69 N 1.61 -0.62 -0.40 3.77 0.00 -0.64 -2.23 119.26 120.74 2gtl h ALA 69 Ca 0.50 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.38 2gtl h ALA 69 Cb 0.79 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2gtl h ALA 69 CO -0.41 -0.86 -0.18 1.25 0.00 0.00 0.00 179.25 179.05 2gtl h HIS 70 N -0.62 -0.45 -0.92 0.00 6.17 -0.66 0.96 115.15 119.63 2gtl h HIS 70 Ca -0.04 0.04 0.26 0.00 0.71 0.00 0.00 60.37 61.34 2gtl h HIS 70 Cb 0.52 0.26 -0.16 0.00 2.52 0.00 0.00 27.41 30.56 2gtl h HIS 70 CO -0.11 -0.26 0.17 0.00 0.71 0.00 0.00 177.93 178.44 2gtl h ALA 71 N 1.19 1.28 0.37 5.26 0.00 0.49 -1.03 119.26 126.82 2gtl h ALA 71 Ca 0.20 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2gtl h ALA 71 Cb 0.41 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2gtl h ALA 71 CO -0.47 -0.54 -0.18 -0.07 0.00 0.00 0.00 179.25 177.99 2gtl h LEU 72 N 0.12 -0.42 -0.73 0.00 3.38 -0.25 -1.90 115.31 115.51 2gtl h LEU 72 Ca 0.58 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.68 2gtl h LEU 72 Cb 1.22 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.96 2gtl h LEU 72 CO -0.75 -0.25 -0.29 0.54 0.09 0.00 0.00 178.44 177.77 2gtl n ARG 73 N -3.56 -0.18 0.26 1.13 1.74 -0.49 0.17 116.66 115.74 2gtl n ARG 73 Ca -0.06 1.12 -0.10 0.00 -0.77 0.00 0.00 57.85 58.03 2gtl n ARG 73 Cb 0.19 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 2gtl n ARG 73 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2gtl h ILE 74 N 0.00 0.00 -0.98 0.55 2.10 -1.34 0.77 117.51 118.61 2gtl h ILE 74 Ca 0.25 -0.13 0.26 0.00 1.08 0.00 0.00 64.86 66.31 2gtl h ILE 74 Cb 0.43 0.00 -0.13 0.00 -1.09 0.00 0.00 36.82 36.03 2gtl h ILE 74 CO -0.72 0.00 0.54 0.25 -1.08 0.00 0.00 178.15 177.14 2gtl h LEU 75 N -0.80 0.56 -1.07 2.19 7.12 -0.37 1.02 115.31 123.96 2gtl h LEU 75 Ca -0.07 0.15 -0.08 0.00 0.13 0.00 0.00 57.88 58.02 2gtl h LEU 75 Cb 0.52 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2gtl h LEU 75 CO 0.11 0.02 -0.36 -1.13 -0.13 0.00 0.00 178.44 176.96 2gtl h ASN 76 N 0.48 0.00 -0.24 1.25 -1.24 0.19 -2.28 115.58 113.75 2gtl h ASN 76 Ca 0.65 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.51 2gtl h ASN 76 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 2gtl h ASN 76 CO -0.52 0.36 -0.44 1.23 -1.29 0.00 0.00 177.43 176.77 2gtl h GLY 77 N 1.81 0.78 0.89 1.57 0.00 0.35 -2.01 103.07 106.47 2gtl h GLY 77 Ca -0.00 -0.92 0.06 0.00 0.00 0.00 0.00 47.33 46.47 2gtl h GLY 77 CO 0.05 0.82 0.56 -2.00 0.00 0.00 0.00 176.54 175.98 2gtl h LEU 78 N 0.44 0.85 0.66 3.11 5.85 -0.81 -0.58 115.31 124.84 2gtl h LEU 78 Ca 0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2gtl h LEU 78 Cb 1.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2gtl h LEU 78 CO 0.10 0.55 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.50 2gtl h ASP 79 N 0.97 -1.20 -0.74 1.25 -0.00 -1.04 -0.71 116.42 114.95 2gtl h ASP 79 Ca 0.37 0.08 0.14 0.00 -0.00 0.00 0.00 57.03 57.62 2gtl h ASP 79 Cb 0.21 0.37 -0.14 0.00 -0.00 0.00 0.00 39.33 39.77 2gtl h ASP 79 CO -0.14 -0.68 -0.27 0.25 -0.00 0.00 0.00 179.24 178.39 2gtl h LEU 80 N -1.07 -0.99 -0.02 2.28 5.85 -0.61 0.37 115.31 121.12 2gtl h LEU 80 Ca -0.08 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2gtl h LEU 80 Cb 0.88 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 2gtl h LEU 80 CO 0.05 -0.28 -0.41 0.00 -0.34 0.00 0.00 178.44 177.46 2gtl h ALA 81 N 1.43 -0.63 -0.22 1.25 0.00 -0.68 -1.72 119.26 118.68 2gtl h ALA 81 Ca 0.32 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2gtl h ALA 81 Cb 0.57 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2gtl h ALA 81 CO -0.78 -0.93 0.01 0.82 0.00 0.00 0.00 179.25 178.36 2gtl h ILE 82 N -0.55 0.86 0.00 0.00 2.04 0.52 -2.01 117.51 118.37 2gtl h ILE 82 Ca 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2gtl h ILE 82 Cb 0.64 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2gtl h ILE 82 CO -0.32 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.43 2gtl n ASN 83 N -5.13 0.00 -0.53 1.72 3.02 0.11 -1.50 115.26 112.95 2gtl n ASN 83 Ca -0.02 0.17 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 2gtl n ASN 83 Cb 0.11 -0.31 0.11 0.00 -0.61 0.00 0.00 39.78 39.09 2gtl n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2gtl n LEU 84 N -1.31 2.56 0.22 3.41 4.77 -0.68 -4.57 117.00 121.40 2gtl n LEU 84 Ca 0.05 -1.72 0.16 0.00 -0.03 0.00 0.00 56.01 54.47 2gtl n LEU 84 Cb 0.08 -0.15 0.84 0.00 -2.33 0.00 0.00 43.42 41.86 2gtl n LEU 84 CO 0.08 0.61 1.14 -0.07 -1.33 0.00 0.00 177.39 177.82 2gtl h LEU 85 N 1.87 0.00 -6.14 2.23 3.38 -1.03 -2.69 115.31 112.94 2gtl h LEU 85 Ca 0.00 0.00 -0.81 0.00 0.09 0.00 0.00 57.88 57.16 2gtl h LEU 85 Cb 0.63 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.11 2gtl h LEU 85 CO 0.00 0.00 1.04 -0.67 0.09 0.00 0.00 178.44 178.90 2gtl n ASP 86 N -3.86 7.38 0.00 -0.43 4.64 -1.26 -4.36 116.55 118.67 2gtl n ASP 86 Ca 0.01 -3.70 0.00 0.00 -1.38 0.00 0.00 54.79 49.71 2gtl n ASP 86 Cb 0.27 -1.16 0.00 0.00 -1.04 0.00 0.00 41.12 39.19 2gtl n ASP 86 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2gtl n ASP 87 N -0.10 0.00 -0.30 1.67 -0.08 -1.01 -5.08 116.55 111.64 2gtl n ASP 87 Ca 0.48 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.78 2gtl n ASP 87 Cb 0.26 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.79 2gtl n ASP 87 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2gtl n PRO 88 N 0.00 -0.13 -0.22 -0.67 -0.04 -1.26 -0.91 135.00 131.77 2gtl n PRO 88 Ca 0.00 1.26 -0.02 0.00 -0.04 0.00 0.00 63.50 64.70 2gtl n PRO 88 Cb 0.00 -1.88 0.09 0.00 -0.04 0.00 0.00 33.50 31.66 2gtl n PRO 88 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2gtl h PRO 89 N 0.00 0.64 0.40 0.54 0.13 -1.98 0.58 132.00 132.31 2gtl h PRO 89 Ca 0.34 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 2gtl h PRO 89 Cb 0.54 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2gtl h PRO 89 CO -0.83 0.42 -0.19 0.00 -0.23 0.00 0.00 178.00 177.17 2gtl h ALA 90 N 1.33 -0.54 -0.66 -0.56 0.00 -1.37 -1.42 119.26 116.04 2gtl h ALA 90 Ca 0.28 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2gtl h ALA 90 Cb 0.16 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2gtl h ALA 90 CO -0.17 -0.65 0.11 1.25 0.00 0.00 0.00 179.25 179.79 2gtl h LEU 91 N -0.85 -0.07 0.06 0.00 5.85 -0.82 0.41 115.31 119.89 2gtl h LEU 91 Ca -0.06 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2gtl h LEU 91 Cb 0.55 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2gtl h LEU 91 CO 0.09 -0.04 -0.25 -0.78 -0.34 0.00 0.00 178.44 177.12 2gtl h ASP 92 N 0.22 -0.75 -0.59 1.25 3.58 0.31 0.16 116.42 120.60 2gtl h ASP 92 Ca 0.35 0.08 0.12 0.00 0.42 0.00 0.00 57.03 58.00 2gtl h ASP 92 Cb 0.57 0.28 -0.11 0.00 1.72 0.00 0.00 39.33 41.78 2gtl h ASP 92 CO -0.48 -0.27 -0.20 0.00 -2.88 0.00 0.00 179.24 175.42 2gtl h ALA 93 N -1.08 0.28 -0.93 -0.78 0.00 -0.25 0.17 119.26 116.66 2gtl h ALA 93 Ca -0.00 0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.28 2gtl h ALA 93 Cb 0.36 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2gtl h ALA 93 CO -0.13 -0.49 0.53 0.00 0.00 0.00 0.00 179.25 179.15 2gtl h ALA 94 N 1.44 1.47 0.02 0.00 0.00 0.51 -1.42 119.26 121.28 2gtl h ALA 94 Ca 0.28 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 2gtl h ALA 94 Cb 0.48 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gtl h ALA 94 CO -0.63 -0.04 -0.64 -0.07 0.00 0.00 0.00 179.25 177.87 2gtl h LEU 95 N 0.72 0.52 -0.72 0.00 3.38 0.13 -3.03 115.31 116.31 2gtl h LEU 95 Ca 0.52 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.84 2gtl h LEU 95 Cb 0.74 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2gtl h LEU 95 CO -0.36 1.25 0.22 -0.78 0.09 0.00 0.00 178.44 178.86 2gtl h ASP 96 N -0.15 0.12 -0.66 -0.43 3.58 -0.21 0.60 116.42 119.28 2gtl h ASP 96 Ca -0.09 0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.56 2gtl h ASP 96 Cb 1.37 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.50 2gtl h ASP 96 CO 0.12 0.02 0.34 -0.74 -2.88 0.00 0.00 179.24 176.11 2gtl h HIS 97 N 0.34 0.61 0.00 0.28 2.76 -1.32 0.16 115.15 117.98 2gtl h HIS 97 Ca 0.40 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.56 2gtl h HIS 97 Cb 0.65 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2gtl h HIS 97 CO -0.22 0.26 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.41 2gtl h LEU 98 N 0.60 0.00 0.41 0.26 3.38 0.20 -2.14 115.31 118.03 2gtl h LEU 98 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2gtl h LEU 98 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gtl h LEU 98 CO -0.22 0.18 -0.20 0.00 0.09 0.00 0.00 178.44 178.29 2gtl h ALA 99 N 1.82 -0.55 -0.93 1.53 0.00 0.18 -2.70 119.26 118.61 2gtl h ALA 99 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 2gtl h ALA 99 Cb 0.34 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2gtl h ALA 99 CO 0.02 -0.76 0.59 0.45 0.00 0.00 0.00 179.25 179.56 2gtl h HIS 100 N -0.66 1.00 0.00 0.00 3.86 -0.96 0.37 115.15 118.76 2gtl h HIS 100 Ca -0.06 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2gtl h HIS 100 Cb 0.48 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2gtl h HIS 100 CO -0.02 0.43 0.00 1.04 0.86 0.00 0.00 177.93 180.24 2gtl n GLN 101 N -4.55 0.17 -0.03 2.45 6.02 -0.84 -2.23 117.38 118.36 2gtl n GLN 101 Ca 0.16 0.46 0.01 0.00 -0.01 0.00 0.00 57.00 57.62 2gtl n GLN 101 Cb 0.33 -1.86 -0.11 0.00 1.02 0.00 0.00 30.24 29.62 2gtl n GLN 101 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gtl n HIS 102 N -2.19 0.00 -0.07 1.08 8.25 0.22 -4.54 115.22 117.97 2gtl n HIS 102 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2gtl n HIS 102 Cb 0.18 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 30.78 2gtl n HIS 102 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2gtl h GLU 103 N 0.00 0.33 0.00 -0.41 4.81 0.08 -2.38 114.58 117.02 2gtl h GLU 103 Ca -0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2gtl h GLU 103 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2gtl h GLU 103 CO 0.01 0.22 0.00 1.33 -0.73 0.00 0.00 179.01 179.84 2gtl n VAL 104 N -4.91 0.00 -3.62 0.32 0.24 -1.19 -4.31 118.33 104.86 2gtl n VAL 104 Ca -0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2gtl n VAL 104 Cb 0.03 -0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.17 2gtl n VAL 104 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2gtl s ARG 105 N -2.00 3.08 0.52 7.34 1.81 -0.90 -5.07 118.95 123.74 2gtl s ARG 105 Ca 0.06 -2.89 -0.22 0.00 -1.72 0.00 0.00 55.73 50.95 2gtl s ARG 105 Cb 0.03 -3.95 -0.06 0.00 -0.45 0.00 0.00 34.95 30.52 2gtl s ARG 105 CO 0.05 -1.23 1.34 -1.83 -0.68 0.00 0.00 175.30 172.94 2gtl s GLU 106 N -0.67 3.31 0.00 3.54 -1.05 -1.26 -3.09 118.70 119.48 2gtl s GLU 106 Ca 0.22 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.23 2gtl s GLU 106 Cb -0.13 -2.34 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 2gtl s GLU 106 CO -0.08 -1.03 0.00 0.41 0.95 0.00 0.00 175.26 175.50 2gtl n GLY 107 N 0.67 1.41 3.61 -3.83 0.00 -1.26 -5.00 105.19 100.79 2gtl n GLY 107 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2gtl n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gtl s VAL 108 N -1.77 4.22 0.26 1.61 1.01 -1.18 -5.01 120.40 119.55 2gtl s VAL 108 Ca 0.00 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.36 2gtl s VAL 108 Cb 0.00 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2gtl s VAL 108 CO 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 175.10 174.16 2gtl s GLN 109 N 4.36 2.10 0.18 2.72 -2.07 -1.26 -4.91 119.66 120.78 2gtl s GLN 109 Ca 0.49 -1.50 -0.20 0.00 -1.82 0.00 0.00 55.36 52.34 2gtl s GLN 109 Cb -0.09 -2.05 0.12 0.00 -1.09 0.00 0.00 33.01 29.90 2gtl s GLN 109 CO 0.29 0.36 1.60 0.87 -1.32 0.00 0.00 175.29 177.09 2gtl h LYS 110 N 2.09 -0.15 -0.96 9.60 1.57 -1.95 -0.71 116.57 126.05 2gtl h LYS 110 Ca -0.43 0.01 0.28 0.00 -1.87 0.00 0.00 60.65 58.64 2gtl h LYS 110 Cb 1.25 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 2gtl h LYS 110 CO 0.60 -0.10 1.02 0.00 -0.57 0.00 0.00 179.45 180.39 2gtl h ALA 111 N 1.08 2.84 0.06 3.86 0.00 -2.00 0.36 119.26 125.46 2gtl h ALA 111 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2gtl h ALA 111 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gtl h ALA 111 CO -0.60 -1.51 -0.03 0.45 0.00 0.00 0.00 179.25 177.56 2gtl h HIS 112 N 0.00 -0.07 -0.17 0.00 3.86 -1.54 -2.56 115.15 114.67 2gtl h HIS 112 Ca 0.46 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2gtl h HIS 112 Cb 2.48 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.97 2gtl h HIS 112 CO 0.00 0.19 0.08 0.74 0.86 0.00 0.00 177.93 179.81 2gtl h PHE 113 N -0.34 0.24 -0.76 2.45 -1.00 -0.40 0.58 116.94 117.71 2gtl h PHE 113 Ca -0.01 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 60.94 2gtl h PHE 113 Cb 0.30 -0.07 -0.12 0.00 3.61 0.00 0.00 35.95 39.67 2gtl h PHE 113 CO 0.01 0.25 0.14 -0.22 -1.61 0.00 0.00 178.31 176.89 2gtl h LYS 114 N 0.15 0.20 0.03 1.51 3.64 -1.46 0.43 116.57 121.07 2gtl h LYS 114 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2gtl h LYS 114 Cb 0.10 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2gtl h LYS 114 CO -0.01 0.14 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.07 2gtl h LYS 115 N 0.21 -0.04 -0.91 1.90 3.11 -1.01 -2.45 116.57 117.38 2gtl h LYS 115 Ca 0.44 0.00 0.17 0.00 -2.81 0.00 0.00 60.65 58.45 2gtl h LYS 115 Cb 0.78 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.94 2gtl h LYS 115 CO -0.58 0.29 0.59 0.35 -2.81 0.00 0.00 179.45 177.29 2gtl h PHE 116 N -0.38 0.76 0.04 1.91 3.04 0.55 0.05 116.94 122.92 2gtl h PHE 116 Ca -0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2gtl h PHE 116 Cb 0.35 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2gtl h PHE 116 CO 0.04 0.23 -0.02 0.78 -2.02 0.00 0.00 178.31 177.32 2gtl h GLY 117 N 0.60 -0.06 0.87 2.40 0.00 0.02 0.17 103.07 107.08 2gtl h GLY 117 Ca 0.48 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.89 2gtl h GLY 117 CO -0.22 -0.02 0.59 0.83 0.00 0.00 0.00 176.54 177.72 2gtl h GLU 118 N -0.17 1.03 -0.16 4.80 5.08 -0.59 0.01 114.58 124.57 2gtl h GLU 118 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2gtl h GLU 118 Cb 0.15 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2gtl h GLU 118 CO 0.01 0.68 -0.04 0.82 -1.00 0.00 0.00 179.01 179.49 2gtl h ILE 119 N 1.06 1.29 -0.78 3.13 2.04 -0.67 -2.38 117.51 121.19 2gtl h ILE 119 Ca 0.39 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2gtl h ILE 119 Cb 0.16 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2gtl h ILE 119 CO -0.14 0.29 0.52 0.25 0.00 0.00 0.00 178.15 179.07 2gtl h LEU 120 N 0.01 0.89 -1.11 1.44 5.85 -0.11 -0.01 115.31 122.26 2gtl h LEU 120 Ca 0.04 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2gtl h LEU 120 Cb 0.47 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2gtl h LEU 120 CO 0.02 0.64 -0.26 0.00 -0.34 0.00 0.00 178.44 178.50 2gtl h ALA 121 N 1.52 1.04 0.00 1.25 0.00 -0.88 -1.38 119.26 120.80 2gtl h ALA 121 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gtl h ALA 121 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2gtl h ALA 121 CO -0.06 0.33 -1.13 2.41 0.00 0.00 0.00 179.25 180.79 2gtl n THR 122 N -3.46 0.53 -0.09 0.00 -1.04 -0.60 -4.41 114.28 105.22 2gtl n THR 122 Ca -0.00 -0.54 -0.17 0.00 -2.04 0.00 0.00 64.05 61.30 2gtl n THR 122 Cb 0.44 -0.28 -0.11 0.00 -1.82 0.00 0.00 70.33 68.56 2gtl n THR 122 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2gtl h GLY 123 N 4.01 0.00 -0.68 3.41 0.00 -0.72 -3.40 103.07 105.70 2gtl h GLY 123 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2gtl h GLY 123 CO 0.00 0.00 -0.44 1.41 0.00 0.00 0.00 176.54 177.51 2gtl h LEU 124 N -1.00 -1.56 0.00 3.11 3.38 -1.47 0.35 115.31 118.12 2gtl h LEU 124 Ca -0.20 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gtl h LEU 124 Cb 1.10 0.73 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2gtl h LEU 124 CO -0.12 -0.31 0.02 -0.81 0.09 0.00 0.00 178.44 177.31 2gtl n PRO 125 N -5.40 0.00 0.05 1.13 -0.04 -1.26 -0.59 135.00 128.88 2gtl n PRO 125 Ca 0.04 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2gtl n PRO 125 Cb 0.35 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 2gtl n PRO 125 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gtl n GLN 126 N -1.09 0.63 -0.00 0.54 6.02 0.12 -4.30 117.38 119.30 2gtl n GLN 126 Ca 0.00 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.05 2gtl n GLN 126 Cb 0.02 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.51 2gtl n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2gtl n VAL 127 N -2.54 0.00 -3.89 5.09 0.24 0.24 -4.93 118.33 112.53 2gtl n VAL 127 Ca -0.03 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.34 61.68 2gtl n VAL 127 Cb 0.60 0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 33.17 2gtl n VAL 127 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2gtl s LEU 128 N -3.60 3.23 0.25 1.34 1.43 -0.56 -4.98 118.68 115.80 2gtl s LEU 128 Ca -0.03 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2gtl s LEU 128 Cb 0.06 -1.84 0.31 0.00 0.03 0.00 0.00 46.19 44.76 2gtl s LEU 128 CO 0.42 -0.00 1.62 -2.24 0.23 0.00 0.00 176.35 176.38 2gtl h ASP 129 N 7.98 0.37 -3.49 2.29 -0.00 -1.89 -3.39 116.42 118.28 2gtl h ASP 129 Ca -0.39 -0.17 -0.71 0.00 -0.00 0.00 0.00 57.03 55.76 2gtl h ASP 129 Cb 1.17 -0.10 -0.27 0.00 -0.00 0.00 0.00 39.33 40.13 2gtl h ASP 129 CO 0.59 0.79 -0.48 -0.62 -0.00 0.00 0.00 179.24 179.52 2gtl s ASP 130 N -6.88 5.68 -0.03 4.15 3.68 -1.26 -5.05 116.67 116.96 2gtl s ASP 130 Ca -0.05 -1.33 0.02 0.00 2.13 0.00 0.00 52.55 53.32 2gtl s ASP 130 Cb 0.13 -2.00 0.01 0.00 -1.45 0.00 0.00 42.92 39.60 2gtl s ASP 130 CO 0.80 -0.49 -0.06 -0.47 0.13 0.00 0.00 175.17 175.08 2gtl s TYR 131 N 1.48 0.75 -0.73 -5.34 5.04 -1.26 -4.85 117.35 112.43 2gtl s TYR 131 Ca 0.02 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.45 2gtl s TYR 131 Cb -0.22 -0.60 0.18 0.00 0.35 0.00 0.00 41.96 41.67 2gtl s TYR 131 CO 0.04 -0.13 0.57 0.34 -1.34 0.00 0.00 175.55 175.02 2gtl s ASP 132 N 0.54 5.42 0.29 4.32 2.15 -1.26 -4.96 116.67 123.17 2gtl s ASP 132 Ca -0.07 -3.32 -0.03 0.00 0.43 0.00 0.00 52.55 49.56 2gtl s ASP 132 Cb -0.11 -1.84 0.61 0.00 -0.30 0.00 0.00 42.92 41.28 2gtl s ASP 132 CO 0.00 -0.26 1.53 0.00 -0.17 0.00 0.00 175.17 176.28 2gtl n ALA 133 N 2.84 0.37 0.08 3.66 0.00 -1.26 -1.31 120.51 124.90 2gtl n ALA 133 Ca 0.14 1.07 -0.12 0.00 0.00 0.00 0.00 53.44 54.53 2gtl n ALA 133 Cb 0.37 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2gtl n ALA 133 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gtl h LEU 134 N 0.00 -0.38 0.33 0.00 3.38 -1.99 -0.01 115.31 116.63 2gtl h LEU 134 Ca 0.54 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 2gtl h LEU 134 Cb 0.98 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2gtl h LEU 134 CO -0.96 -0.20 -0.21 0.00 0.09 0.00 0.00 178.44 177.15 2gtl h ALA 135 N 0.62 -0.52 0.22 1.53 0.00 -1.55 -2.40 119.26 117.16 2gtl h ALA 135 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2gtl h ALA 135 Cb 0.29 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2gtl h ALA 135 CO -0.09 -0.80 -0.35 -1.49 0.00 0.00 0.00 179.25 176.52 2gtl h TRP 136 N -0.53 -0.97 -0.75 0.00 4.06 -1.26 -2.05 115.95 114.45 2gtl h TRP 136 Ca -0.03 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.10 2gtl h TRP 136 Cb 0.44 0.40 -0.11 0.00 -1.00 0.00 0.00 29.16 28.89 2gtl h TRP 136 CO -0.10 -0.48 0.23 -0.22 -3.56 0.00 0.00 178.44 174.31 2gtl h LYS 137 N -0.65 0.31 -0.24 0.49 3.64 -1.00 0.52 116.57 119.65 2gtl h LYS 137 Ca 0.01 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2gtl h LYS 137 Cb 0.63 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2gtl h LYS 137 CO -0.15 0.21 -0.09 0.77 -2.27 0.00 0.00 179.45 177.92 2gtl h SER 138 N 0.32 -0.31 -0.02 4.20 0.02 -0.93 -1.29 113.55 115.55 2gtl h SER 138 Ca 0.43 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.43 2gtl h SER 138 Cb 0.72 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2gtl h SER 138 CO -0.49 -0.12 -0.09 0.00 -1.14 0.00 0.00 176.83 174.99 2gtl h LEU 140 N -0.52 0.74 0.75 0.00 3.38 0.01 -1.49 115.31 118.18 2gtl h LEU 140 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2gtl h LEU 140 Cb 0.76 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2gtl h LEU 140 CO 0.02 0.35 -0.46 0.50 0.09 0.00 0.00 178.44 178.94 2gtl h LYS 141 N 0.77 -1.09 -0.97 1.13 3.64 -1.25 0.10 116.57 118.90 2gtl h LYS 141 Ca 0.50 0.07 0.22 0.00 -1.27 0.00 0.00 60.65 60.17 2gtl h LYS 141 Cb 0.75 0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.70 2gtl h LYS 141 CO -0.27 -0.73 0.54 0.78 -2.27 0.00 0.00 179.45 177.51 2gtl h GLY 142 N -1.13 1.76 0.41 5.01 0.00 -1.26 -0.37 103.07 107.50 2gtl h GLY 142 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2gtl h GLY 142 CO 0.10 -0.19 -0.20 -2.22 0.00 0.00 0.00 176.54 174.03 2gtl h ILE 143 N 0.59 0.00 -0.84 2.60 2.04 -0.85 -2.65 117.51 118.40 2gtl h ILE 143 Ca 0.60 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 66.32 2gtl h ILE 143 Cb 1.07 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 2gtl h ILE 143 CO -0.46 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 177.94 2gtl h LEU 144 N -0.88 0.23 0.90 1.44 3.38 -0.58 -1.54 115.31 118.26 2gtl h LEU 144 Ca -0.06 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2gtl h LEU 144 Cb 0.42 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2gtl h LEU 144 CO 0.09 0.00 -0.47 0.74 0.09 0.00 0.00 178.44 178.89 2gtl h THR 145 N 0.37 0.04 -0.38 0.22 2.02 -1.13 -2.37 112.91 111.68 2gtl h THR 145 Ca 0.50 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.79 2gtl h THR 145 Cb 0.90 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2gtl h THR 145 CO -0.51 0.00 0.32 0.50 0.37 0.00 0.00 175.52 176.20 2gtl h LYS 146 N -1.26 0.00 -0.04 6.66 1.63 -1.05 -0.89 116.57 121.62 2gtl h LYS 146 Ca -0.12 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.46 2gtl h LYS 146 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2gtl h LYS 146 CO 0.17 0.00 -0.89 0.82 -3.45 0.00 0.00 179.45 176.10 2gtl h ILE 147 N 0.00 1.36 -0.23 2.00 2.04 -0.99 -3.27 117.51 118.42 2gtl h ILE 147 Ca 0.18 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.76 2gtl h ILE 147 Cb 0.82 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2gtl h ILE 147 CO -0.00 0.69 0.00 -1.54 0.00 0.00 0.00 178.15 177.30 2gtl n SER 148 N -3.81 2.79 -0.42 1.72 3.41 -0.56 -3.70 113.62 113.05 2gtl n SER 148 Ca -0.07 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 2gtl n SER 148 Cb 0.80 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2gtl n SER 148 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gtl n SER 149 N 1.09 0.02 -3.38 4.04 3.41 -0.45 -3.91 113.62 114.44 2gtl n SER 149 Ca 0.17 -0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.56 2gtl n SER 149 Cb 0.52 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 2gtl n SER 149 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gtl s ARG 150 N -1.15 0.54 0.00 4.33 0.52 -1.26 -5.11 118.95 116.81 2gtl s ARG 150 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2gtl s ARG 150 Cb 0.00 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.71 2gtl s ARG 150 CO 0.00 -1.15 0.00 1.28 0.02 0.00 0.00 175.30 175.45