#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 0.87 -0.22 -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 55.83 2gtl n GLU 4 Cb 0.00 -1.22 0.25 0.00 1.43 0.00 0.00 31.44 31.90 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 0.60 0.58 -3.05 -1.84 8.25 -1.26 -4.86 115.22 113.64 2gtl n HIS 5 Ca 0.07 -0.29 -0.40 0.00 -0.26 0.00 0.00 57.72 56.84 2gtl n HIS 5 Cb 0.30 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 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 -3.05 3.90 0.15 0.00 1.04 -1.26 -4.69 113.70 109.79 2gtl s SER 8 Ca 0.05 0.20 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 2gtl s SER 8 Cb -0.01 -0.50 0.02 0.00 0.10 0.00 0.00 66.02 65.63 2gtl s SER 8 CO 0.79 -2.21 1.60 -0.33 0.98 0.00 0.00 173.24 174.07 2gtl h GLU 9 N -1.10 -0.31 -0.10 4.02 4.39 -1.97 0.89 114.58 120.40 2gtl h GLU 9 Ca -0.43 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.31 2gtl h GLU 9 Cb 1.27 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2gtl h GLU 9 CO 0.46 -0.21 0.02 0.93 -1.16 0.00 0.00 179.01 179.06 2gtl h GLU 10 N -0.32 0.07 -0.31 2.33 4.39 -1.98 0.28 114.58 119.04 2gtl h GLU 10 Ca 0.13 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2gtl h GLU 10 Cb 0.54 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2gtl h GLU 10 CO -0.44 0.05 -0.26 -0.44 -1.16 0.00 0.00 179.01 176.75 2gtl h ASP 11 N 0.07 -0.93 0.44 1.42 3.45 -1.49 0.91 116.42 120.29 2gtl h ASP 11 Ca 0.04 0.13 -0.11 0.00 0.43 0.00 0.00 57.03 57.52 2gtl h ASP 11 Cb 0.03 0.39 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 2gtl h ASP 11 CO -0.06 -0.15 -0.51 1.12 -1.57 0.00 0.00 179.24 178.08 2gtl h HIS 12 N -0.10 0.09 -0.93 4.55 2.07 -0.79 -1.33 115.15 118.71 2gtl h HIS 12 Ca 0.05 -0.03 0.16 0.00 -2.85 0.00 0.00 60.37 57.70 2gtl h HIS 12 Cb 0.24 -0.02 -0.08 0.00 2.57 0.00 0.00 27.41 30.12 2gtl h HIS 12 CO -0.81 0.57 0.59 -0.09 -3.07 0.00 0.00 177.93 175.13 2gtl h ARG 13 N 0.06 0.69 0.54 5.12 2.43 0.61 0.55 114.38 124.39 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 0.92 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2gtl h ARG 13 CO 0.07 0.46 -0.26 0.82 -1.51 0.00 0.00 179.97 179.55 2gtl h ILE 14 N 0.71 0.22 -0.56 1.20 1.08 0.20 -1.96 117.51 118.40 2gtl h ILE 14 Ca 0.48 -0.45 0.09 0.00 -0.39 0.00 0.00 64.86 64.59 2gtl h ILE 14 Cb 0.78 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 2gtl h ILE 14 CO -0.24 0.04 -0.43 0.58 -0.69 0.00 0.00 178.15 177.41 2gtl h VAL 15 N -1.08 0.09 -0.55 1.67 2.07 -0.28 0.65 116.25 118.81 2gtl h VAL 15 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2gtl h VAL 15 Cb 0.62 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 2gtl h VAL 15 CO 0.12 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.20 2gtl h GLN 16 N -0.24 0.05 -0.31 1.57 4.20 0.06 0.17 115.11 120.61 2gtl h GLN 16 Ca 0.17 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.90 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 -0.67 0.03 0.16 -0.22 -0.67 0.00 0.00 178.83 177.46 2gtl h LYS 17 N 0.05 0.33 -0.16 1.46 3.64 -0.16 -2.35 116.57 119.37 2gtl h LYS 17 Ca 0.27 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 2gtl h LYS 17 Cb 0.43 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2gtl h LYS 17 CO -0.52 0.22 -0.34 1.96 -2.27 0.00 0.00 179.45 178.49 2gtl h GLN 18 N 0.34 0.34 0.00 1.90 4.20 0.14 -2.42 115.11 119.61 2gtl h GLN 18 Ca 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2gtl h GLN 18 Cb 0.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2gtl h GLN 18 CO -0.08 0.64 0.00 2.35 -0.67 0.00 0.00 178.83 181.08 2gtl h TRP 19 N 0.29 0.00 0.00 2.96 2.91 -0.42 -2.84 115.95 118.85 2gtl h TRP 19 Ca 0.03 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.93 2gtl h TRP 19 Cb 0.75 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.38 2gtl h TRP 19 CO 0.02 0.00 -0.57 -0.44 -1.03 0.00 0.00 178.44 176.42 2gtl h ASP 20 N 0.00 0.00 -0.85 2.65 3.32 -0.90 -3.17 116.42 117.47 2gtl h ASP 20 Ca 0.00 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.30 2gtl h ASP 20 Cb 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2gtl h ASP 20 CO 0.00 0.57 0.68 0.40 -1.72 0.00 0.00 179.24 179.17 2gtl h ILE 21 N 0.00 0.43 0.18 0.35 2.04 -1.49 -1.79 117.51 117.23 2gtl h ILE 21 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2gtl h ILE 21 Cb 1.40 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2gtl h ILE 21 CO 0.07 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.07 2gtl h LEU 22 N 0.00 -0.20 -2.62 1.44 3.38 -1.73 -3.33 115.31 112.25 2gtl h LEU 22 Ca 0.40 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2gtl h LEU 22 Cb 1.76 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2gtl h LEU 22 CO -0.00 0.20 0.10 0.79 0.09 0.00 0.00 178.44 179.62 2gtl n TRP 23 N -5.02 0.41 0.04 1.13 5.03 -0.67 -4.24 117.44 114.12 2gtl n TRP 23 Ca -0.09 -0.92 -0.11 0.00 3.03 0.00 0.00 57.50 59.41 2gtl n TRP 23 Cb 0.24 -0.46 0.01 0.00 -1.03 0.00 0.00 31.31 30.07 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 0.55 0.47 -5.82 -0.99 3.08 -1.67 -3.44 114.38 106.55 2gtl h ARG 24 Ca 0.08 -0.39 -0.64 0.00 0.07 0.00 0.00 59.98 59.10 2gtl h ARG 24 Cb 1.13 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.21 2gtl h ARG 24 CO 0.17 1.03 -0.42 0.16 -1.07 0.00 0.00 179.97 179.84 2gtl s ASP 25 N -7.00 6.47 0.65 7.04 3.84 -1.26 -4.99 116.67 121.41 2gtl s ASP 25 Ca -0.06 0.53 0.31 0.00 -0.00 0.00 0.00 52.55 53.33 2gtl s ASP 25 Cb 0.10 -2.08 1.71 0.00 -1.38 0.00 0.00 42.92 41.27 2gtl s ASP 25 CO 0.85 0.31 1.98 0.71 -0.00 0.00 0.00 175.17 179.02 2gtl h THR 26 N 3.32 0.08 -0.41 2.11 1.35 -1.97 -3.16 112.91 114.24 2gtl h THR 26 Ca -0.51 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.05 2gtl h THR 26 Cb 1.21 0.71 -0.11 0.00 -1.73 0.00 0.00 68.15 68.23 2gtl h THR 26 CO 0.64 0.00 -0.02 -0.62 -0.25 0.00 0.00 175.52 175.27 2gtl n GLU 27 N -3.09 2.05 -0.32 4.72 -0.58 -1.26 -4.54 120.64 117.63 2gtl n GLU 27 Ca -0.01 -1.44 0.02 0.00 -0.42 0.00 0.00 57.16 55.32 2gtl n GLU 27 Cb 0.37 -1.94 0.16 0.00 -0.57 0.00 0.00 31.44 29.46 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 2.73 0.82 -0.08 1.62 4.64 -1.93 -2.76 113.55 118.57 2gtl h SER 28 Ca 0.25 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.64 2gtl h SER 28 Cb 1.15 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 2gtl h SER 28 CO 0.48 0.50 -0.42 0.77 -0.87 0.00 0.00 176.83 177.29 2gtl h SER 29 N 0.94 -1.29 -0.94 4.97 4.64 -1.93 0.53 113.55 120.47 2gtl h SER 29 Ca 0.40 0.17 0.18 0.00 -0.47 0.00 0.00 61.79 62.06 2gtl h SER 29 Cb 0.26 0.52 -0.10 0.00 -0.31 0.00 0.00 62.40 62.76 2gtl h SER 29 CO -0.20 -0.44 0.54 0.50 -0.87 0.00 0.00 176.83 176.36 2gtl h LYS 30 N -0.52 0.67 0.04 4.77 1.63 -1.87 0.34 116.57 121.62 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 -0.02 0.82 -3.45 0.00 0.00 179.45 176.88 2gtl h ILE 31 N 0.70 0.00 -0.92 2.00 2.04 -1.06 -2.01 117.51 118.26 2gtl h ILE 31 Ca 0.54 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.54 2gtl h ILE 31 Cb 0.82 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.72 2gtl h ILE 31 CO -0.38 0.00 -0.20 0.29 0.00 0.00 0.00 178.15 177.86 2gtl n LYS 32 N -2.27 -0.08 0.14 2.37 5.02 0.17 0.09 118.16 123.60 2gtl n LYS 32 Ca -0.01 1.42 -0.06 0.00 -2.02 0.00 0.00 58.31 57.65 2gtl n LYS 32 Cb 0.02 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 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 -0.79 -0.18 2.04 -1.03 0.48 117.51 118.04 2gtl h ILE 33 Ca 0.45 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.48 2gtl h ILE 33 Cb 0.73 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.66 2gtl h ILE 33 CO -0.93 0.00 -0.15 1.23 0.00 0.00 0.00 178.15 178.29 2gtl h GLY 34 N -0.36 0.64 0.81 5.37 0.00 -0.37 1.33 103.07 110.50 2gtl h GLY 34 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2gtl h GLY 34 CO 0.05 -0.31 -0.17 -2.75 0.00 0.00 0.00 176.54 173.36 2gtl h PHE 35 N 0.02 -0.45 -0.59 5.60 3.57 -0.29 -0.72 116.94 124.08 2gtl h PHE 35 Ca 0.39 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 2gtl h PHE 35 Cb 0.62 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2gtl h PHE 35 CO -0.58 -0.17 0.34 0.78 -2.23 0.00 0.00 178.31 176.45 2gtl h GLY 36 N -0.68 0.85 0.89 2.40 0.00 0.99 0.66 103.07 108.18 2gtl h GLY 36 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2gtl h GLY 36 CO 0.08 0.34 -0.40 -0.09 0.00 0.00 0.00 176.54 176.47 2gtl h ARG 37 N 0.81 -0.99 -0.39 4.80 1.12 0.19 -1.64 114.38 118.28 2gtl h ARG 37 Ca 0.21 0.07 0.07 0.00 -1.11 0.00 0.00 59.98 59.22 2gtl h ARG 37 Cb -0.01 0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 30.11 2gtl h ARG 37 CO -0.04 -0.66 0.01 1.25 -3.11 0.00 0.00 179.97 177.42 2gtl h LEU 38 N -1.02 -0.15 -0.55 3.80 6.46 -0.64 -0.56 115.31 122.65 2gtl h LEU 38 Ca -0.09 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2gtl h LEU 38 Cb 0.81 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.82 2gtl h LEU 38 CO 0.11 -0.04 0.13 -0.07 -0.62 0.00 0.00 178.44 177.95 2gtl h LEU 39 N 0.11 0.03 -0.25 2.25 3.38 -0.66 0.71 115.31 120.88 2gtl h LEU 39 Ca 0.19 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2gtl h LEU 39 Cb 0.27 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gtl h LEU 39 CO -0.32 0.04 -0.25 -0.07 0.09 0.00 0.00 178.44 177.93 2gtl h LEU 40 N 0.27 0.66 0.22 1.67 3.38 -0.88 -2.86 115.31 117.77 2gtl h LEU 40 Ca 0.28 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2gtl h LEU 40 Cb 0.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2gtl h LEU 40 CO -0.35 1.00 -0.51 0.74 0.09 0.00 0.00 178.44 179.41 2gtl h THR 41 N 0.33 0.03 0.00 0.22 2.02 -0.51 0.12 112.91 115.13 2gtl h THR 41 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2gtl h THR 41 Cb 0.81 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2gtl h THR 41 CO 0.06 0.00 0.19 0.50 0.37 0.00 0.00 175.52 176.64 2gtl h LYS 42 N -0.81 0.00 0.00 6.66 1.63 -0.92 0.11 116.57 123.25 2gtl h LYS 42 Ca -0.02 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2gtl h LYS 42 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2gtl h LYS 42 CO -0.22 0.00 -0.32 1.25 -3.45 0.00 0.00 179.45 176.71 2gtl h LEU 43 N 0.00 0.00 -2.44 5.20 5.85 -0.58 -3.17 115.31 120.17 2gtl h LEU 43 Ca 0.00 -0.77 0.01 0.00 0.84 0.00 0.00 57.88 57.96 2gtl h LEU 43 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2gtl h LEU 43 CO 0.00 1.07 0.02 0.00 -0.34 0.00 0.00 178.44 179.19 2gtl h ALA 44 N -0.23 1.56 0.07 1.25 0.00 0.39 0.19 119.26 122.49 2gtl h ALA 44 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gtl h ALA 44 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2gtl h ALA 44 CO -0.05 -0.03 -0.03 -0.22 0.00 0.00 0.00 179.25 178.91 2gtl h LYS 45 N 0.00 -0.08 0.00 0.00 1.63 -1.06 -2.92 116.57 114.13 2gtl h LYS 45 Ca 0.01 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2gtl h LYS 45 Cb 0.06 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2gtl h LYS 45 CO -0.00 0.20 -0.15 -0.44 -3.45 0.00 0.00 179.45 175.62 2gtl h ASP 46 N -0.37 0.00 -2.21 4.20 3.45 -1.31 -3.41 116.42 116.76 2gtl h ASP 46 Ca -0.01 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.07 2gtl h ASP 46 Cb 0.33 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 38.76 2gtl h ASP 46 CO 0.01 0.15 -0.68 -0.63 -1.57 0.00 0.00 179.24 176.52 2gtl s ILE 47 N -3.14 -0.30 0.37 0.35 1.01 -0.03 -5.04 121.20 114.43 2gtl s ILE 47 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2gtl s ILE 47 Cb 0.06 -0.92 0.17 0.00 0.01 0.00 0.00 42.46 41.78 2gtl s ILE 47 CO 0.69 -0.57 1.91 1.55 0.00 0.00 0.00 174.94 178.52 2gtl h PRO 48 N 7.87 0.40 0.00 2.79 0.13 -1.76 -2.85 132.00 138.58 2gtl h PRO 48 Ca -0.08 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2gtl h PRO 48 Cb 1.05 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2gtl h PRO 48 CO 0.31 0.46 0.07 -0.85 -0.23 0.00 0.00 178.00 177.76 2gtl n GLU 49 N -4.30 0.00 0.06 0.86 0.28 -1.26 0.87 120.64 117.16 2gtl n GLU 49 Ca 0.01 0.20 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 2gtl n GLU 49 Cb 0.24 -1.57 -0.15 0.00 1.43 0.00 0.00 31.44 31.39 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 1.49 -1.29 3.84 2.07 -1.84 -3.31 116.25 117.21 2gtl h VAL 50 Ca 0.00 -2.56 0.40 0.00 0.82 0.00 0.00 66.70 65.36 2gtl h VAL 50 Cb 0.15 3.19 -0.11 0.00 -1.52 0.00 0.00 31.29 33.00 2gtl h VAL 50 CO 0.00 0.73 0.85 0.78 0.02 0.00 0.00 177.57 179.94 2gtl h ASN 51 N -0.32 0.25 0.93 0.57 2.35 0.27 0.83 115.58 120.47 2gtl h ASN 51 Ca -0.16 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 2gtl h ASN 51 Cb 1.70 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.13 2gtl h ASN 51 CO 0.17 -0.09 -0.50 0.44 -1.65 0.00 0.00 177.43 175.80 2gtl h ASP 52 N 0.15 0.00 -0.08 5.81 3.45 -1.67 -2.45 116.42 121.62 2gtl h ASP 52 Ca 0.75 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 58.07 2gtl h ASP 52 Cb 2.38 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 41.15 2gtl h ASP 52 CO -0.33 0.50 -0.51 -0.07 -1.57 0.00 0.00 179.24 177.26 2gtl h LEU 53 N 0.00 0.59 -0.80 1.55 3.38 0.52 -3.06 115.31 117.50 2gtl h LEU 53 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2gtl h LEU 53 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2gtl h LEU 53 CO 0.06 1.16 0.00 0.49 0.09 0.00 0.00 178.44 180.25 2gtl n PHE 54 N -4.24 0.29 -0.20 1.13 0.99 -0.88 -3.93 117.46 110.62 2gtl n PHE 54 Ca -0.08 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.45 57.16 2gtl n PHE 54 Cb 0.61 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 39.12 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 1.23 0.77 -0.81 -1.08 3.64 -1.33 -2.18 116.57 116.81 2gtl h LYS 55 Ca 0.00 -0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.56 2gtl h LYS 55 Cb 0.30 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2gtl h LYS 55 CO 0.00 0.51 0.58 -0.09 -2.27 0.00 0.00 179.45 178.18 2gtl h ARG 56 N 0.79 0.06 -0.59 1.90 1.12 -1.79 0.26 114.38 116.12 2gtl h ARG 56 Ca 0.21 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.90 2gtl h ARG 56 Cb -0.09 -0.01 -0.10 0.00 -0.01 0.00 0.00 29.97 29.75 2gtl h ARG 56 CO -0.05 0.04 0.17 1.33 -3.11 0.00 0.00 179.97 178.36 2gtl n VAL 57 N -4.33 2.76 -3.77 0.20 0.24 -0.85 -4.96 118.33 107.63 2gtl n VAL 57 Ca 0.17 -1.86 -0.26 0.00 -2.04 0.00 0.00 64.34 60.34 2gtl n VAL 57 Cb 0.84 -0.34 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.39 -2.44 0.25 -1.34 2.03 0.08 -2.50 116.55 112.24 2gtl n ASP 58 Ca 0.36 -0.95 0.17 0.00 0.52 0.00 0.00 54.79 54.89 2gtl n ASP 58 Cb 1.25 -3.49 0.76 0.00 -0.72 0.00 0.00 41.12 38.92 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 -1.84 0.00 -0.66 5.18 2.10 -1.66 -1.90 117.51 118.73 2gtl h ILE 59 Ca -0.64 -0.26 0.06 0.00 1.08 0.00 0.00 64.86 65.10 2gtl h ILE 59 Cb 1.36 1.14 -0.04 0.00 -1.09 0.00 0.00 36.82 38.19 2gtl h ILE 59 CO 0.55 0.00 0.44 -0.08 -1.08 0.00 0.00 178.15 177.98 2gtl h GLU 60 N 0.00 0.65 -3.52 2.19 4.81 -1.87 -3.21 114.58 113.63 2gtl h GLU 60 Ca 0.00 -0.04 -0.74 0.00 -0.13 0.00 0.00 59.36 58.45 2gtl h GLU 60 Cb 0.29 -0.15 -0.32 0.00 0.63 0.00 0.00 28.75 29.21 2gtl h GLU 60 CO 0.00 0.43 -0.01 -1.01 -0.73 0.00 0.00 179.01 177.69 2gtl s HIS 61 N -5.60 3.84 0.27 0.92 3.76 -0.71 -4.94 115.29 112.83 2gtl s HIS 61 Ca -0.09 -2.70 -0.02 0.00 -0.15 0.00 0.00 55.06 52.10 2gtl s HIS 61 Cb 0.19 -3.46 0.60 0.00 1.11 0.00 0.00 32.58 31.02 2gtl s HIS 61 CO 0.76 -0.85 1.63 0.00 -0.85 0.00 0.00 174.74 175.44 2gtl h ALA 62 N 6.69 1.05 -0.00 -1.40 0.00 -1.76 0.44 119.26 124.28 2gtl h ALA 62 Ca 0.11 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gtl h ALA 62 Cb 0.90 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2gtl h ALA 62 CO 0.83 -0.46 -0.13 -0.85 0.00 0.00 0.00 179.25 178.64 2gtl n GLU 63 N -5.30 0.44 -1.95 0.00 0.00 -1.26 -4.16 120.64 108.40 2gtl n GLU 63 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 57.16 56.79 2gtl n GLU 63 Cb 0.60 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.51 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 -2.66 1.59 0.31 -1.84 0.00 0.15 -4.75 107.32 100.13 2gtl s GLY 64 Ca 0.23 1.33 0.06 0.00 0.00 0.00 0.00 44.72 46.34 2gtl s GLY 64 CO 0.52 2.65 1.62 -0.56 0.00 0.00 0.00 173.10 177.33 2gtl h PRO 65 N 7.06 0.13 -0.76 2.90 0.13 -1.89 0.14 132.00 139.71 2gtl h PRO 65 Ca -0.43 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2gtl h PRO 65 Cb 1.20 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2gtl h PRO 65 CO 0.91 0.09 -0.20 0.87 -0.23 0.00 0.00 178.00 179.45 2gtl h LYS 66 N 0.14 -0.01 0.14 0.86 1.79 -1.90 0.19 116.57 117.78 2gtl h LYS 66 Ca 0.63 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.89 2gtl h LYS 66 Cb 1.39 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.07 2gtl h LYS 66 CO -0.74 -0.00 -0.91 0.35 -1.08 0.00 0.00 179.45 177.07 2gtl h PHE 67 N -0.01 0.65 -0.84 -1.35 3.57 -0.49 -3.18 116.94 115.29 2gtl h PHE 67 Ca 0.36 -0.45 0.17 0.00 3.53 0.00 0.00 57.97 61.58 2gtl h PHE 67 Cb 0.55 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.15 2gtl h PHE 67 CO -0.61 1.34 0.38 0.77 -2.23 0.00 0.00 178.31 177.96 2gtl h SER 68 N -0.21 0.39 0.37 0.41 0.02 -0.20 0.53 113.55 114.86 2gtl h SER 68 Ca -0.15 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2gtl h SER 68 Cb 1.69 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 2gtl h SER 68 CO 0.17 0.11 -0.26 0.00 -1.14 0.00 0.00 176.83 175.71 2gtl h ALA 69 N 1.61 -0.62 -0.44 3.77 0.00 -0.75 -2.15 119.26 120.67 2gtl h ALA 69 Ca 0.49 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2gtl h ALA 69 Cb 0.79 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2gtl h ALA 69 CO -0.44 -0.87 -0.15 1.25 0.00 0.00 0.00 179.25 179.05 2gtl h HIS 70 N -0.63 -0.34 -0.92 0.00 6.17 -0.78 0.17 115.15 118.82 2gtl h HIS 70 Ca -0.03 0.04 0.26 0.00 0.71 0.00 0.00 60.37 61.35 2gtl h HIS 70 Cb 0.53 0.22 -0.15 0.00 2.52 0.00 0.00 27.41 30.53 2gtl h HIS 70 CO -0.12 -0.23 0.30 0.00 0.71 0.00 0.00 177.93 178.59 2gtl h ALA 71 N 1.35 1.44 0.45 5.26 0.00 0.40 -0.28 119.26 127.88 2gtl h ALA 71 Ca 0.21 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2gtl h ALA 71 Cb 0.37 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2gtl h ALA 71 CO -0.48 -0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 177.97 2gtl h LEU 72 N 0.21 -0.52 -0.80 0.00 3.38 -0.07 -1.87 115.31 115.64 2gtl h LEU 72 Ca 0.60 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.72 2gtl h LEU 72 Cb 1.28 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 42.03 2gtl h LEU 72 CO -0.67 -0.29 -0.30 0.54 0.09 0.00 0.00 178.44 177.81 2gtl n ARG 73 N -4.06 -0.18 0.27 1.13 1.74 -0.25 0.19 116.66 115.51 2gtl n ARG 73 Ca -0.08 1.23 -0.11 0.00 -0.77 0.00 0.00 57.85 58.13 2gtl n ARG 73 Cb 0.24 -1.83 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 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 -0.96 0.55 2.10 -1.23 -0.33 117.51 117.64 2gtl h ILE 74 Ca 0.29 -0.17 0.24 0.00 1.08 0.00 0.00 64.86 66.30 2gtl h ILE 74 Cb 0.49 0.00 -0.13 0.00 -1.09 0.00 0.00 36.82 36.09 2gtl h ILE 74 CO -0.80 0.00 0.51 0.25 -1.08 0.00 0.00 178.15 177.03 2gtl h LEU 75 N -0.89 0.52 -1.26 2.19 7.12 -0.38 0.75 115.31 123.37 2gtl h LEU 75 Ca -0.07 0.15 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 2gtl h LEU 75 Cb 0.55 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 2gtl h LEU 75 CO 0.12 0.05 -0.32 -1.13 -0.13 0.00 0.00 178.44 177.03 2gtl h ASN 76 N 0.49 0.00 -0.21 1.25 -1.24 0.22 -2.30 115.58 113.80 2gtl h ASN 76 Ca 0.61 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.48 2gtl h ASN 76 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.22 2gtl h ASN 76 CO -0.50 0.32 -0.42 1.23 -1.29 0.00 0.00 177.43 176.76 2gtl h GLY 77 N 1.47 0.72 0.80 1.57 0.00 0.23 -1.67 103.07 106.19 2gtl h GLY 77 Ca -0.00 -0.85 0.09 0.00 0.00 0.00 0.00 47.33 46.56 2gtl h GLY 77 CO 0.04 0.77 0.56 -2.00 0.00 0.00 0.00 176.54 175.90 2gtl h LEU 78 N 0.35 0.78 0.80 3.11 5.85 -0.73 -0.64 115.31 124.85 2gtl h LEU 78 Ca 0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2gtl h LEU 78 Cb 1.03 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2gtl h LEU 78 CO 0.09 0.48 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.40 2gtl h ASP 79 N 0.87 -1.24 -0.79 1.25 -0.00 -0.97 -0.87 116.42 114.69 2gtl h ASP 79 Ca 0.39 0.07 0.15 0.00 -0.00 0.00 0.00 57.03 57.63 2gtl h ASP 79 Cb 0.35 0.36 -0.15 0.00 -0.00 0.00 0.00 39.33 39.89 2gtl h ASP 79 CO -0.16 -0.76 -0.26 0.25 -0.00 0.00 0.00 179.24 178.32 2gtl h LEU 80 N -1.21 -0.93 0.08 2.28 5.85 -0.37 0.32 115.31 121.33 2gtl h LEU 80 Ca -0.11 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2gtl h LEU 80 Cb 0.97 0.55 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 2gtl h LEU 80 CO 0.11 -0.28 -0.44 0.00 -0.34 0.00 0.00 178.44 177.50 2gtl h ALA 81 N 1.58 -0.76 -0.27 1.25 0.00 -0.76 -1.66 119.26 118.63 2gtl h ALA 81 Ca 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2gtl h ALA 81 Cb 0.59 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2gtl h ALA 81 CO -0.82 -1.00 0.01 0.82 0.00 0.00 0.00 179.25 178.26 2gtl h ILE 82 N -0.65 0.82 0.00 0.00 2.04 0.41 -1.90 117.51 118.23 2gtl h ILE 82 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2gtl h ILE 82 Cb 0.69 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2gtl h ILE 82 CO -0.27 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.48 2gtl n ASN 83 N -5.14 0.00 -0.54 1.72 3.02 0.95 -1.25 115.26 114.02 2gtl n ASN 83 Ca -0.01 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.85 2gtl n ASN 83 Cb 0.14 -0.35 0.11 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.35 2.57 0.20 3.41 4.77 -0.67 -4.57 117.00 121.35 2gtl n LEU 84 Ca 0.04 -1.71 0.17 0.00 -0.03 0.00 0.00 56.01 54.48 2gtl n LEU 84 Cb 0.09 -0.15 0.81 0.00 -2.33 0.00 0.00 43.42 41.84 2gtl n LEU 84 CO 0.08 0.61 1.15 -0.07 -1.33 0.00 0.00 177.39 177.83 2gtl h LEU 85 N 1.92 0.00 -6.25 2.23 3.38 -0.91 -2.82 115.31 112.87 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 1.07 -0.67 0.09 0.00 0.00 178.44 178.93 2gtl n ASP 86 N -3.86 7.37 0.00 -0.43 4.64 -1.26 -4.34 116.55 118.67 2gtl n ASP 86 Ca 0.02 -3.67 0.00 0.00 -1.38 0.00 0.00 54.79 49.75 2gtl n ASP 86 Cb 0.33 -1.18 0.00 0.00 -1.04 0.00 0.00 41.12 39.24 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 -0.00 0.00 -0.28 1.67 -0.08 -1.06 -5.08 116.55 111.72 2gtl n ASP 87 Ca 0.47 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.78 2gtl n ASP 87 Cb 0.26 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.10 -0.19 -0.67 -0.04 -1.26 -0.96 135.00 131.78 2gtl n PRO 88 Ca 0.00 1.19 -0.04 0.00 -0.04 0.00 0.00 63.50 64.61 2gtl n PRO 88 Cb 0.00 -1.77 0.06 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.58 0.35 0.54 0.13 -1.98 0.60 132.00 132.23 2gtl h PRO 89 Ca 0.33 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 2gtl h PRO 89 Cb 0.52 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2gtl h PRO 89 CO -0.78 0.39 -0.17 0.00 -0.23 0.00 0.00 178.00 177.21 2gtl h ALA 90 N 1.28 -0.47 -0.64 -0.56 0.00 -1.39 -1.54 119.26 115.93 2gtl h ALA 90 Ca 0.24 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2gtl h ALA 90 Cb 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 2gtl h ALA 90 CO -0.14 -0.61 0.12 1.25 0.00 0.00 0.00 179.25 179.87 2gtl h LEU 91 N -0.78 -0.04 0.10 0.00 5.85 -0.98 0.32 115.31 119.78 2gtl h LEU 91 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2gtl h LEU 91 Cb 0.52 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2gtl h LEU 91 CO 0.08 -0.02 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.10 2gtl h ASP 92 N 0.24 -0.80 -0.59 1.25 3.58 0.34 0.18 116.42 120.63 2gtl h ASP 92 Ca 0.35 0.08 0.12 0.00 0.42 0.00 0.00 57.03 57.99 2gtl h ASP 92 Cb 0.55 0.29 -0.11 0.00 1.72 0.00 0.00 39.33 41.77 2gtl h ASP 92 CO -0.46 -0.30 -0.20 0.00 -2.88 0.00 0.00 179.24 175.40 2gtl h ALA 93 N -1.09 0.27 -0.92 -0.78 0.00 -0.44 0.99 119.26 117.29 2gtl h ALA 93 Ca -0.01 0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.28 2gtl h ALA 93 Cb 0.40 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 2gtl h ALA 93 CO -0.13 -0.50 0.52 0.00 0.00 0.00 0.00 179.25 179.14 2gtl h ALA 94 N 1.42 1.44 0.03 0.00 0.00 0.12 -1.33 119.26 120.94 2gtl h ALA 94 Ca 0.27 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 2gtl h ALA 94 Cb 0.48 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2gtl h ALA 94 CO -0.63 -0.05 -0.66 -0.07 0.00 0.00 0.00 179.25 177.84 2gtl h LEU 95 N 0.70 0.53 -0.72 0.00 3.38 0.51 -3.04 115.31 116.67 2gtl h LEU 95 Ca 0.51 -0.80 0.14 0.00 0.09 0.00 0.00 57.88 57.82 2gtl h LEU 95 Cb 0.73 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2gtl h LEU 95 CO -0.37 1.27 0.24 -0.78 0.09 0.00 0.00 178.44 178.89 2gtl h ASP 96 N -0.15 0.16 -0.70 -0.43 3.58 -0.35 0.55 116.42 119.07 2gtl h ASP 96 Ca -0.09 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.55 2gtl h ASP 96 Cb 1.40 0.13 -0.06 0.00 1.72 0.00 0.00 39.33 42.51 2gtl h ASP 96 CO 0.13 0.05 0.38 -0.74 -2.88 0.00 0.00 179.24 176.18 2gtl h HIS 97 N 0.36 0.69 -0.03 0.28 2.76 -1.30 0.82 115.15 118.73 2gtl h HIS 97 Ca 0.40 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.55 2gtl h HIS 97 Cb 0.62 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2gtl h HIS 97 CO -0.20 0.30 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.45 2gtl h LEU 98 N 0.67 0.05 0.41 0.26 3.38 0.08 -2.00 115.31 118.17 2gtl h LEU 98 Ca 0.33 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2gtl h LEU 98 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2gtl h LEU 98 CO -0.22 0.26 -0.20 0.00 0.09 0.00 0.00 178.44 178.37 2gtl h ALA 99 N 1.75 -0.55 -0.87 1.53 0.00 0.16 -2.66 119.26 118.62 2gtl h ALA 99 Ca 0.01 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2gtl h ALA 99 Cb 0.39 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2gtl h ALA 99 CO 0.03 -0.78 0.56 0.45 0.00 0.00 0.00 179.25 179.51 2gtl h HIS 100 N -0.62 0.92 0.00 0.00 3.86 -0.96 0.25 115.15 118.60 2gtl h HIS 100 Ca -0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2gtl h HIS 100 Cb 0.46 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2gtl h HIS 100 CO -0.03 0.43 0.00 1.96 0.86 0.00 0.00 177.93 181.14 2gtl h GLN 101 N 0.85 0.00 0.00 2.45 4.20 -1.09 -2.60 115.11 118.92 2gtl h GLN 101 Ca 0.40 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.02 2gtl h GLN 101 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2gtl h GLN 101 CO -0.17 0.00 -1.87 0.72 -0.67 0.00 0.00 178.83 176.85 2gtl n HIS 102 N -2.46 0.00 -0.07 2.96 8.25 0.29 -4.52 115.22 119.68 2gtl n HIS 102 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 2gtl n HIS 102 Cb 0.20 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 0.34 0.00 -0.41 4.81 -0.23 -2.48 114.58 116.60 2gtl h GLU 103 Ca -0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2gtl h GLU 103 Cb 1.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2gtl h GLU 103 CO 0.01 0.29 0.00 1.33 -0.73 0.00 0.00 179.01 179.91 2gtl n VAL 104 N -4.87 0.00 -3.63 0.32 0.24 -1.20 -4.30 118.33 104.90 2gtl n VAL 104 Ca -0.03 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.90 2gtl n VAL 104 Cb 0.07 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.22 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 0.51 7.34 1.81 -0.94 -5.06 118.95 123.69 2gtl s ARG 105 Ca 0.05 -2.94 -0.23 0.00 -1.72 0.00 0.00 55.73 50.89 2gtl s ARG 105 Cb 0.02 -3.94 -0.06 0.00 -0.45 0.00 0.00 34.95 30.52 2gtl s ARG 105 CO 0.04 -1.23 1.37 -1.83 -0.68 0.00 0.00 175.30 172.96 2gtl s GLU 106 N -0.76 3.34 0.00 3.54 -1.05 -1.26 -3.00 118.70 119.51 2gtl s GLU 106 Ca 0.23 2.27 0.00 0.00 -0.15 0.00 0.00 54.97 57.32 2gtl s GLU 106 Cb -0.12 -2.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 2gtl s GLU 106 CO -0.09 -1.04 0.00 0.41 0.95 0.00 0.00 175.26 175.49 2gtl n GLY 107 N 0.67 1.28 3.61 -3.83 0.00 -1.26 -5.00 105.19 100.66 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 -1.67 4.23 0.27 1.61 1.01 -1.16 -5.02 120.40 119.68 2gtl s VAL 108 Ca 0.00 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.39 2gtl s VAL 108 Cb 0.00 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2gtl s VAL 108 CO 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 175.10 174.22 2gtl s GLN 109 N 4.31 2.15 0.18 2.72 -2.07 -1.26 -4.92 119.66 120.77 2gtl s GLN 109 Ca 0.49 -1.51 -0.20 0.00 -1.82 0.00 0.00 55.36 52.33 2gtl s GLN 109 Cb -0.10 -2.06 0.11 0.00 -1.09 0.00 0.00 33.01 29.87 2gtl s GLN 109 CO 0.28 0.35 1.61 0.87 -1.32 0.00 0.00 175.29 177.08 2gtl h LYS 110 N 1.97 -0.16 -0.97 9.60 1.57 -1.95 -0.78 116.57 125.85 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 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 2gtl h LYS 110 CO 0.60 -0.11 1.03 0.00 -0.57 0.00 0.00 179.45 180.41 2gtl h ALA 111 N 1.05 2.85 0.04 3.86 0.00 -2.00 0.29 119.26 125.35 2gtl h ALA 111 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2gtl h ALA 111 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2gtl h ALA 111 CO -0.54 -1.53 -0.02 0.45 0.00 0.00 0.00 179.25 177.61 2gtl h HIS 112 N 0.00 -0.05 -0.20 0.00 3.86 -1.55 -2.55 115.15 114.67 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 2.51 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.99 2gtl h HIS 112 CO 0.00 0.24 0.09 0.74 0.86 0.00 0.00 177.93 179.85 2gtl h PHE 113 N -0.33 0.29 -0.75 2.45 -1.00 -0.55 0.37 116.94 117.43 2gtl h PHE 113 Ca -0.01 -0.02 0.17 0.00 2.81 0.00 0.00 57.97 60.93 2gtl h PHE 113 Cb 0.30 -0.09 -0.12 0.00 3.61 0.00 0.00 35.95 39.65 2gtl h PHE 113 CO 0.02 0.31 0.11 -0.22 -1.61 0.00 0.00 178.31 176.92 2gtl h LYS 114 N 0.18 0.18 0.09 1.51 3.64 -1.46 0.35 116.57 121.06 2gtl h LYS 114 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2gtl h LYS 114 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2gtl h LYS 114 CO -0.01 0.12 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.03 2gtl h LYS 115 N 0.19 -0.12 -0.91 1.90 3.11 -1.00 -2.44 116.57 117.29 2gtl h LYS 115 Ca 0.42 0.01 0.20 0.00 -2.81 0.00 0.00 60.65 58.47 2gtl h LYS 115 Cb 0.75 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.93 2gtl h LYS 115 CO -0.59 0.20 0.60 0.35 -2.81 0.00 0.00 179.45 177.20 2gtl h PHE 116 N -0.45 0.62 0.04 1.91 3.04 0.35 0.69 116.94 123.15 2gtl h PHE 116 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2gtl h PHE 116 Cb 0.37 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.69 2gtl h PHE 116 CO 0.03 0.17 -0.02 0.78 -2.02 0.00 0.00 178.31 177.25 2gtl h GLY 117 N 0.47 -0.06 0.79 2.40 0.00 -0.08 0.12 103.07 106.71 2gtl h GLY 117 Ca 0.48 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.90 2gtl h GLY 117 CO -0.20 -0.02 0.61 0.83 0.00 0.00 0.00 176.54 177.75 2gtl h GLU 118 N -0.25 1.03 -0.22 4.80 5.08 -0.47 0.24 114.58 124.78 2gtl h GLU 118 Ca -0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2gtl h GLU 118 Cb 0.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gtl h GLU 118 CO 0.01 0.68 -0.05 0.82 -1.00 0.00 0.00 179.01 179.47 2gtl h ILE 119 N 1.06 1.28 -0.78 3.13 2.04 -0.68 -2.42 117.51 121.15 2gtl h ILE 119 Ca 0.41 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2gtl h ILE 119 Cb 0.22 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2gtl h ILE 119 CO -0.16 0.32 0.47 0.25 0.00 0.00 0.00 178.15 179.02 2gtl h LEU 120 N 0.15 0.94 -1.14 1.44 5.85 -0.11 -0.05 115.31 122.39 2gtl h LEU 120 Ca 0.06 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2gtl h LEU 120 Cb 0.50 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2gtl h LEU 120 CO 0.02 0.72 -0.21 0.00 -0.34 0.00 0.00 178.44 178.63 2gtl h ALA 121 N 1.44 1.03 0.00 1.25 0.00 -0.82 -1.70 119.26 120.46 2gtl h ALA 121 Ca 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gtl h ALA 121 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2gtl h ALA 121 CO -0.05 0.27 -1.20 2.41 0.00 0.00 0.00 179.25 180.67 2gtl n THR 122 N -3.39 0.59 -0.08 0.00 -1.04 -0.66 -4.44 114.28 105.27 2gtl n THR 122 Ca 0.00 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.05 61.30 2gtl n THR 122 Cb 0.42 -0.33 -0.10 0.00 -1.82 0.00 0.00 70.33 68.50 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 3.97 0.00 -0.73 3.41 0.00 -0.72 -3.40 103.07 105.60 2gtl h GLY 123 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.41 2gtl h GLY 123 CO 0.00 0.00 -0.48 1.41 0.00 0.00 0.00 176.54 177.48 2gtl h LEU 124 N -1.00 -1.70 0.00 3.11 3.38 -1.53 0.31 115.31 117.88 2gtl h LEU 124 Ca -0.15 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2gtl h LEU 124 Cb 1.00 0.78 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2gtl h LEU 124 CO -0.09 -0.30 0.03 -0.81 0.09 0.00 0.00 178.44 177.35 2gtl n PRO 125 N -5.38 0.00 0.06 1.13 -0.04 -1.26 -0.62 135.00 128.89 2gtl n PRO 125 Ca 0.03 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2gtl n PRO 125 Cb 0.34 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.11 0.63 -0.00 0.54 6.02 0.11 -4.29 117.38 119.28 2gtl n GLN 126 Ca 0.00 0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.06 2gtl n GLN 126 Cb 0.03 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 29.49 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 -2.55 0.00 -3.86 5.09 0.24 0.21 -4.93 118.33 112.53 2gtl n VAL 127 Ca -0.02 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 61.69 2gtl n VAL 127 Cb 0.58 0.30 -0.13 0.00 -1.47 0.00 0.00 33.84 33.12 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 -3.64 3.28 0.25 1.34 1.43 -0.54 -4.97 118.68 115.82 2gtl s LEU 128 Ca -0.03 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2gtl s LEU 128 Cb 0.06 -1.86 0.30 0.00 0.03 0.00 0.00 46.19 44.72 2gtl s LEU 128 CO 0.40 -0.01 1.61 -2.24 0.23 0.00 0.00 176.35 176.35 2gtl h ASP 129 N 8.04 0.40 -3.47 2.29 -0.00 -1.89 -3.39 116.42 118.39 2gtl h ASP 129 Ca -0.39 -0.19 -0.72 0.00 -0.00 0.00 0.00 57.03 55.74 2gtl h ASP 129 Cb 1.17 -0.11 -0.26 0.00 -0.00 0.00 0.00 39.33 40.13 2gtl h ASP 129 CO 0.59 0.81 -0.47 -0.62 -0.00 0.00 0.00 179.24 179.56 2gtl s ASP 130 N -6.88 5.72 -0.03 4.15 3.68 -1.26 -5.05 116.67 117.00 2gtl s ASP 130 Ca -0.06 -1.34 0.02 0.00 2.13 0.00 0.00 52.55 53.30 2gtl s ASP 130 Cb 0.12 -2.02 0.01 0.00 -1.45 0.00 0.00 42.92 39.59 2gtl s ASP 130 CO 0.80 -0.51 -0.05 -0.47 0.13 0.00 0.00 175.17 175.07 2gtl s TYR 131 N 1.49 0.70 -0.74 -5.34 5.04 -1.26 -4.85 117.35 112.39 2gtl s TYR 131 Ca 0.03 -0.17 -0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2gtl s TYR 131 Cb -0.22 -0.57 0.18 0.00 0.35 0.00 0.00 41.96 41.71 2gtl s TYR 131 CO 0.04 -0.12 0.57 0.34 -1.34 0.00 0.00 175.55 175.04 2gtl s ASP 132 N 0.50 5.37 0.29 4.32 2.15 -1.26 -4.97 116.67 123.07 2gtl s ASP 132 Ca -0.07 -3.41 -0.03 0.00 0.43 0.00 0.00 52.55 49.47 2gtl s ASP 132 Cb -0.10 -1.81 0.60 0.00 -0.30 0.00 0.00 42.92 41.30 2gtl s ASP 132 CO 0.00 -0.23 1.51 0.00 -0.17 0.00 0.00 175.17 176.29 2gtl n ALA 133 N 2.69 0.37 0.06 3.66 0.00 -1.26 -1.27 120.51 124.77 2gtl n ALA 133 Ca 0.15 1.05 -0.11 0.00 0.00 0.00 0.00 53.44 54.53 2gtl n ALA 133 Cb 0.36 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.37 0.33 0.00 3.38 -1.99 0.48 115.31 117.14 2gtl h LEU 134 Ca 0.53 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 2gtl h LEU 134 Cb 0.97 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2gtl h LEU 134 CO -0.95 -0.19 -0.18 0.00 0.09 0.00 0.00 178.44 177.21 2gtl h ALA 135 N 0.70 -0.47 0.22 1.53 0.00 -1.53 -2.38 119.26 117.33 2gtl h ALA 135 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2gtl h ALA 135 Cb 0.27 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2gtl h ALA 135 CO -0.11 -0.77 -0.33 -1.49 0.00 0.00 0.00 179.25 176.55 2gtl h TRP 136 N -0.48 -0.90 -0.75 0.00 4.06 -1.24 -2.02 115.95 114.62 2gtl h TRP 136 Ca -0.04 0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.08 2gtl h TRP 136 Cb 0.38 0.37 -0.10 0.00 -1.00 0.00 0.00 29.16 28.80 2gtl h TRP 136 CO -0.07 -0.45 0.24 -0.22 -3.56 0.00 0.00 178.44 174.37 2gtl h LYS 137 N -0.62 0.33 -0.20 0.49 3.64 -0.89 0.48 116.57 119.79 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 0.61 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 2gtl h LYS 137 CO -0.13 0.22 -0.13 0.77 -2.27 0.00 0.00 179.45 177.90 2gtl h SER 138 N 0.34 -0.43 -0.04 4.20 0.02 -0.91 -1.46 113.55 115.28 2gtl h SER 138 Ca 0.42 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.41 2gtl h SER 138 Cb 0.69 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2gtl h SER 138 CO -0.47 -0.17 -0.17 0.00 -1.14 0.00 0.00 176.83 174.88 2gtl h LEU 140 N -0.39 0.76 0.78 0.00 3.38 -0.09 -1.77 115.31 117.99 2gtl h LEU 140 Ca -0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2gtl h LEU 140 Cb 0.83 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2gtl h LEU 140 CO 0.04 0.39 -0.50 0.50 0.09 0.00 0.00 178.44 178.96 2gtl h LYS 141 N 0.81 -1.17 -0.96 1.13 3.64 -1.29 0.10 116.57 118.83 2gtl h LYS 141 Ca 0.47 0.08 0.24 0.00 -1.27 0.00 0.00 60.65 60.16 2gtl h LYS 141 Cb 0.63 0.26 -0.13 0.00 -0.41 0.00 0.00 32.23 32.59 2gtl h LYS 141 CO -0.23 -0.78 0.52 0.78 -2.27 0.00 0.00 179.45 177.47 2gtl h GLY 142 N -1.21 1.78 0.36 5.01 0.00 -1.34 0.01 103.07 107.68 2gtl h GLY 142 Ca -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2gtl h GLY 142 CO 0.09 -0.26 -0.17 -2.22 0.00 0.00 0.00 176.54 173.98 2gtl h ILE 143 N 0.50 0.00 -0.85 2.60 2.04 -0.89 -2.66 117.51 118.25 2gtl h ILE 143 Ca 0.62 -0.31 0.20 0.00 1.00 0.00 0.00 64.86 66.36 2gtl h ILE 143 Cb 1.18 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.14 2gtl h ILE 143 CO -0.50 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 177.91 2gtl h LEU 144 N -0.80 0.23 0.81 1.44 3.38 -0.52 -1.51 115.31 118.34 2gtl h LEU 144 Ca -0.05 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2gtl h LEU 144 Cb 0.37 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2gtl h LEU 144 CO 0.08 -0.01 -0.40 0.74 0.09 0.00 0.00 178.44 178.94 2gtl h THR 145 N 0.36 0.18 -0.27 0.22 2.02 -1.06 -2.40 112.91 111.96 2gtl h THR 145 Ca 0.52 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.78 2gtl h THR 145 Cb 0.95 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2gtl h THR 145 CO -0.53 0.00 0.23 0.50 0.37 0.00 0.00 175.52 176.09 2gtl h LYS 146 N -1.10 0.00 -0.05 6.66 1.63 -1.04 -1.13 116.57 121.54 2gtl h LYS 146 Ca -0.11 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.48 2gtl h LYS 146 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2gtl h LYS 146 CO 0.17 0.00 -0.83 0.82 -3.45 0.00 0.00 179.45 176.16 2gtl h ILE 147 N 0.00 1.37 -0.19 2.00 2.04 -1.03 -3.28 117.51 118.43 2gtl h ILE 147 Ca 0.13 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2gtl h ILE 147 Cb 0.59 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2gtl h ILE 147 CO -0.00 0.68 0.00 -1.54 0.00 0.00 0.00 178.15 177.29 2gtl n SER 148 N -3.81 2.67 -0.41 1.72 3.41 -0.62 -3.62 113.62 112.96 2gtl n SER 148 Ca -0.06 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2gtl n SER 148 Cb 0.77 -0.11 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 1.02 0.06 -3.41 4.04 3.41 -0.52 -3.93 113.62 114.29 2gtl n SER 149 Ca 0.17 -0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.41 2gtl n SER 149 Cb 0.51 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.18 0.50 0.00 4.33 0.52 -1.26 -5.11 118.95 116.75 2gtl s ARG 150 Ca 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2gtl s ARG 150 Cb 0.00 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 34.59 2gtl s ARG 150 CO 0.00 -1.14 0.00 1.28 0.02 0.00 0.00 175.30 175.46