#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtl n LEU 10 N 4.71 0.00 -0.09 0.00 -0.00 -1.26 -4.87 117.00 115.49 2gtl n LEU 10 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.77 2gtl n LEU 10 Cb 0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.71 2gtl n LEU 10 CO 0.43 0.00 -0.20 0.58 -0.00 0.00 0.00 177.39 178.20 2gtl h VAL 11 N 0.00 1.23 -0.01 1.47 2.07 -1.96 -3.35 116.25 115.69 2gtl h VAL 11 Ca 0.00 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 2gtl h VAL 11 Cb 0.00 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2gtl h VAL 11 CO 0.00 0.43 -0.03 0.71 0.02 0.00 0.00 177.57 178.70 2gtl h THR 12 N -0.97 1.48 0.00 2.57 1.35 -2.00 -2.83 112.91 112.51 2gtl h THR 12 Ca -0.23 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2gtl h THR 12 Cb 1.22 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2gtl h THR 12 CO -0.13 0.38 0.38 -0.33 -0.25 0.00 0.00 175.52 175.57 2gtl h GLU 13 N -0.55 0.00 0.00 4.72 5.08 -1.94 0.13 114.58 122.02 2gtl h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gtl h GLU 13 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2gtl h GLU 13 CO 0.01 0.00 -0.38 -1.13 -1.00 0.00 0.00 179.01 176.51 2gtl n SER 14 N -2.17 1.27 -0.35 1.42 3.41 -1.15 -3.70 113.62 112.35 2gtl n SER 14 Ca -0.01 0.50 0.31 0.00 -0.26 0.00 0.00 58.87 59.41 2gtl n SER 14 Cb 0.40 -0.76 0.57 0.00 -0.26 0.00 0.00 64.21 64.16 2gtl n SER 14 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gtl h LEU 15 N -0.70 0.36 -0.23 1.04 5.85 -1.01 1.31 115.31 121.93 2gtl h LEU 15 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2gtl h LEU 15 Cb 0.38 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2gtl h LEU 15 CO 0.00 -0.32 0.15 0.50 -0.34 0.00 0.00 178.44 178.43 2gtl h LYS 16 N 0.10 0.29 -0.11 1.25 1.63 -1.19 0.20 116.57 118.74 2gtl h LYS 16 Ca 0.82 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.56 2gtl h LYS 16 Cb 2.15 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.72 2gtl h LYS 16 CO -0.67 0.19 -0.09 0.28 -3.45 0.00 0.00 179.45 175.71 2gtl h VAL 17 N 0.30 1.35 -0.89 2.00 2.07 0.14 -0.31 116.25 120.90 2gtl h VAL 17 Ca 0.08 -1.21 0.16 0.00 0.82 0.00 0.00 66.70 66.56 2gtl h VAL 17 Cb -0.03 1.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 2gtl h VAL 17 CO -0.02 0.35 0.47 0.11 0.02 0.00 0.00 177.57 178.50 2gtl h LYS 18 N -0.12 0.62 0.28 1.57 1.57 -0.08 0.39 116.57 120.79 2gtl h LYS 18 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2gtl h LYS 18 Cb 0.60 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2gtl h LYS 18 CO 0.02 0.41 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.11 2gtl h LEU 19 N 0.63 -0.31 -1.32 2.94 4.07 -0.49 -3.11 115.31 117.72 2gtl h LEU 19 Ca 0.50 -0.22 0.03 0.00 0.08 0.00 0.00 57.88 58.27 2gtl h LEU 19 Cb 0.76 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 2gtl h LEU 19 CO -0.39 0.15 0.48 1.56 -1.08 0.00 0.00 178.44 179.16 2gtl h GLN 20 N -0.88 0.87 -0.85 1.13 4.20 -0.59 -1.19 115.11 117.79 2gtl h GLN 20 Ca -0.04 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.70 2gtl h GLN 20 Cb 0.51 -0.20 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2gtl h GLN 20 CO 0.06 0.58 0.51 2.35 -0.67 0.00 0.00 178.83 181.65 2gtl h TRP 21 N 0.90 0.93 0.18 2.96 -0.00 -0.30 -1.11 115.95 119.50 2gtl h TRP 21 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.21 2gtl h TRP 21 Cb 0.02 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 2gtl h TRP 21 CO -0.00 0.41 -0.43 0.00 -0.00 0.00 0.00 178.44 178.42 2gtl h ALA 22 N 1.44 -0.96 -0.47 2.65 0.00 -1.14 0.77 119.26 121.54 2gtl h ALA 22 Ca 0.40 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.25 2gtl h ALA 22 Cb 0.30 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2gtl h ALA 22 CO -0.22 -1.05 0.20 0.77 0.00 0.00 0.00 179.25 178.95 2gtl h SER 23 N -0.67 0.25 0.77 0.00 0.02 -1.39 -2.29 113.55 110.24 2gtl h SER 23 Ca -0.02 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2gtl h SER 23 Cb 0.64 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2gtl h SER 23 CO -0.19 0.18 -0.37 0.00 -1.14 0.00 0.00 176.83 175.31 2gtl h ALA 24 N 1.29 -1.04 0.16 3.77 0.00 -1.03 -3.34 119.26 119.07 2gtl h ALA 24 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gtl h ALA 24 Cb 0.18 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2gtl h ALA 24 CO -0.19 -0.97 -0.32 0.35 0.00 0.00 0.00 179.25 178.12 2gtl h PHE 25 N -1.26 -0.92 0.00 0.00 3.57 -0.89 -3.48 116.94 113.96 2gtl h PHE 25 Ca -0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2gtl h PHE 25 Cb 0.79 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2gtl h PHE 25 CO 0.00 -0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.11 2gtl n GLY 26 N -1.32 -0.59 3.05 2.40 0.00 -0.86 -3.99 105.19 103.88 2gtl n GLY 26 Ca -0.06 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 2gtl n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gtl s HIS 27 N 0.00 0.51 0.00 1.61 3.76 -1.26 -4.85 115.29 115.05 2gtl s HIS 27 Ca 0.00 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 2gtl s HIS 27 Cb 0.00 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.36 2gtl s HIS 27 CO 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 174.74 173.70 2gtl n ALA 28 N 1.06 0.00 -0.29 -1.40 0.00 -1.26 -2.05 120.51 116.58 2gtl n ALA 28 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2gtl n ALA 28 Cb 0.57 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.28 2gtl n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gtl h HIS 29 N 0.00 0.47 -1.73 0.00 -0.00 -2.00 -0.24 115.15 111.65 2gtl h HIS 29 Ca 0.00 0.04 0.50 0.00 -0.00 0.00 0.00 60.37 60.92 2gtl h HIS 29 Cb 0.00 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.26 2gtl h HIS 29 CO 0.00 -0.09 1.25 0.93 -0.00 0.00 0.00 177.93 180.02 2gtl h GLU 30 N 0.33 0.00 0.11 5.26 5.08 -1.75 0.28 114.58 123.88 2gtl h GLU 30 Ca 0.51 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2gtl h GLU 30 Cb 0.95 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2gtl h GLU 30 CO -0.54 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.41 2gtl h ARG 31 N 0.00 -0.14 -0.95 2.33 3.08 -1.15 -2.83 114.38 114.73 2gtl h ARG 31 Ca 0.82 0.01 0.27 0.00 0.07 0.00 0.00 59.98 61.15 2gtl h ARG 31 Cb 3.31 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 33.25 2gtl h ARG 31 CO -0.01 0.18 0.43 0.28 -1.07 0.00 0.00 179.97 179.78 2gtl h VAL 32 N -0.99 0.36 -0.43 2.04 2.07 -1.03 0.99 116.25 119.26 2gtl h VAL 32 Ca -0.01 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2gtl h VAL 32 Cb 0.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2gtl h VAL 32 CO 0.02 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.93 2gtl h ALA 33 N 1.79 0.54 0.92 1.67 0.00 -1.44 0.11 119.26 122.86 2gtl h ALA 33 Ca 0.64 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.49 2gtl h ALA 33 Cb 1.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2gtl h ALA 33 CO -0.60 -0.06 -0.44 0.35 0.00 0.00 0.00 179.25 178.50 2gtl h PHE 34 N 0.52 -1.15 -0.57 0.00 3.04 0.11 -0.78 116.94 118.11 2gtl h PHE 34 Ca 0.17 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.19 2gtl h PHE 34 Cb 0.00 0.38 -0.11 0.00 2.56 0.00 0.00 35.95 38.78 2gtl h PHE 34 CO -0.07 -0.72 -0.39 0.78 -2.02 0.00 0.00 178.31 175.90 2gtl h GLY 35 N -1.29 -0.31 0.19 2.40 0.00 -0.37 -0.06 103.07 103.63 2gtl h GLY 35 Ca -0.13 0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.71 2gtl h GLY 35 CO 0.21 -0.18 -0.51 -2.00 0.00 0.00 0.00 176.54 174.05 2gtl h LEU 36 N -0.21 -1.52 -0.86 3.11 5.85 -0.72 -0.78 115.31 120.19 2gtl h LEU 36 Ca 0.20 0.15 0.21 0.00 0.84 0.00 0.00 57.88 59.29 2gtl h LEU 36 Cb 0.56 0.55 -0.13 0.00 0.37 0.00 0.00 40.66 42.01 2gtl h LEU 36 CO -0.68 -0.57 0.31 -0.08 -0.34 0.00 0.00 178.44 177.09 2gtl h GLU 37 N -0.79 0.31 0.58 1.25 4.81 -0.47 -0.64 114.58 119.64 2gtl h GLU 37 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2gtl h GLU 37 Cb 0.76 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.08 2gtl h GLU 37 CO -0.24 0.21 -0.28 1.25 -0.73 0.00 0.00 179.01 179.22 2gtl h LEU 38 N 0.32 -0.66 -1.54 1.64 5.85 -0.01 -2.72 115.31 118.19 2gtl h LEU 38 Ca 0.53 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.40 2gtl h LEU 38 Cb 1.01 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2gtl h LEU 38 CO -0.56 -0.47 0.49 -0.50 -0.34 0.00 0.00 178.44 177.06 2gtl h TRP 39 N -0.78 0.54 0.66 1.25 4.06 -0.80 -1.79 115.95 119.10 2gtl h TRP 39 Ca -0.08 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 2gtl h TRP 39 Cb 0.60 -0.17 0.01 0.00 -1.00 0.00 0.00 29.16 28.59 2gtl h TRP 39 CO 0.10 0.22 -0.32 -0.09 -3.56 0.00 0.00 178.44 174.79 2gtl h ARG 40 N 0.48 -0.85 -0.96 0.49 2.43 -1.06 0.76 114.38 115.66 2gtl h ARG 40 Ca 0.35 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.74 2gtl h ARG 40 Cb 0.71 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.37 2gtl h ARG 40 CO -0.12 -0.56 0.61 -0.44 -1.51 0.00 0.00 179.97 177.95 2gtl h ASP 41 N -0.90 0.74 0.11 -3.80 5.19 -1.09 -0.98 116.42 115.70 2gtl h ASP 41 Ca -0.09 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2gtl h ASP 41 Cb 0.68 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2gtl h ASP 41 CO 0.15 0.34 -0.05 0.40 -3.12 0.00 0.00 179.24 176.95 2gtl h ILE 42 N 0.76 1.07 -0.06 0.35 2.04 -0.85 -2.87 117.51 117.95 2gtl h ILE 42 Ca 0.51 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2gtl h ILE 42 Cb 0.78 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2gtl h ILE 42 CO -0.28 0.18 -0.24 0.40 0.00 0.00 0.00 178.15 178.21 2gtl h ILE 43 N -0.49 1.20 -0.06 -0.67 2.04 -0.34 -1.52 117.51 117.66 2gtl h ILE 43 Ca -0.02 -0.95 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 2gtl h ILE 43 Cb 0.40 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2gtl h ILE 43 CO 0.02 0.28 -0.52 0.44 0.00 0.00 0.00 178.15 178.38 2gtl h ASP 44 N 0.10 0.18 0.02 1.72 3.45 -1.20 -1.99 116.42 118.69 2gtl h ASP 44 Ca 0.02 -0.09 -0.25 0.00 0.43 0.00 0.00 57.03 57.14 2gtl h ASP 44 Cb 0.48 -0.05 0.02 0.00 -0.56 0.00 0.00 39.33 39.22 2gtl h ASP 44 CO 0.03 0.66 -0.98 -0.78 -1.57 0.00 0.00 179.24 176.61 2gtl h ASP 45 N 0.13 0.83 -2.41 6.45 3.58 -1.23 -3.40 116.42 120.37 2gtl h ASP 45 Ca 0.00 -0.76 -0.59 0.00 0.42 0.00 0.00 57.03 56.11 2gtl h ASP 45 Cb 0.96 -0.26 -0.39 0.00 1.72 0.00 0.00 39.33 41.36 2gtl h ASP 45 CO 0.08 1.48 -0.93 1.41 -2.88 0.00 0.00 179.24 178.40 2gtl n HIS 46 N -3.93 -0.09 0.00 0.28 8.25 -0.61 -4.97 115.22 114.15 2gtl n HIS 46 Ca -0.11 -3.52 0.00 0.00 -0.26 0.00 0.00 57.72 53.83 2gtl n HIS 46 Cb 0.85 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.99 2gtl n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2gtl n PRO 47 N 2.44 0.00 0.28 -0.41 -0.04 -0.76 -1.70 135.00 134.81 2gtl n PRO 47 Ca 0.27 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 2gtl n PRO 47 Cb 0.47 -1.58 0.83 0.00 -0.04 0.00 0.00 33.50 33.18 2gtl n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2gtl h GLU 48 N 0.00 0.00 0.00 0.54 3.07 -1.93 -2.54 114.58 113.72 2gtl h GLU 48 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2gtl h GLU 48 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2gtl h GLU 48 CO 0.00 0.07 -0.41 0.82 -1.40 0.00 0.00 179.01 178.09 2gtl h ILE 49 N 0.00 0.95 0.00 3.13 2.04 -1.68 -3.05 117.51 118.90 2gtl h ILE 49 Ca -0.00 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2gtl h ILE 49 Cb 0.26 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2gtl h ILE 49 CO 0.01 0.40 0.20 0.29 0.00 0.00 0.00 178.15 179.05 2gtl n LYS 50 N -3.56 0.07 0.06 2.37 5.02 -0.96 -3.04 118.16 118.14 2gtl n LYS 50 Ca -0.00 0.52 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 2gtl n LYS 50 Cb 0.53 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 2gtl n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gtl h ALA 51 N 1.41 -0.72 0.00 7.82 0.00 -1.75 -3.28 119.26 122.75 2gtl h ALA 51 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gtl h ALA 51 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2gtl h ALA 51 CO 0.00 -0.71 -0.01 -1.00 0.00 0.00 0.00 179.25 177.53 2gtl h PRO 52 N -0.21 0.00 -0.91 0.00 0.13 -1.79 -1.63 132.00 127.59 2gtl h PRO 52 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2gtl h PRO 52 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2gtl h PRO 52 CO 0.03 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.00 2gtl n PHE 53 N -3.16 0.44 0.03 1.56 0.99 -1.23 -4.05 117.46 112.04 2gtl n PHE 53 Ca -0.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.45 57.27 2gtl n PHE 53 Cb 0.15 -0.19 0.27 0.00 -1.00 0.00 0.00 39.48 38.72 2gtl n PHE 53 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2gtl h SER 54 N 0.85 0.44 -0.19 4.37 0.87 -1.35 0.66 113.55 119.21 2gtl h SER 54 Ca 0.00 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 2gtl h SER 54 Cb 0.81 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2gtl h SER 54 CO 0.10 0.60 -0.17 -0.09 -0.53 0.00 0.00 176.83 176.74 2gtl h ARG 55 N 0.43 0.60 -2.05 2.24 1.12 -1.85 -3.19 114.38 111.68 2gtl h ARG 55 Ca 0.08 -0.21 -0.71 0.00 -1.11 0.00 0.00 59.98 58.03 2gtl h ARG 55 Cb 0.47 -0.05 -0.33 0.00 -0.01 0.00 0.00 29.97 30.06 2gtl h ARG 55 CO 0.03 0.75 0.40 1.33 -3.11 0.00 0.00 179.97 179.36 2gtl n VAL 56 N -4.15 4.08 -2.69 0.20 0.24 -1.07 -4.95 118.33 110.00 2gtl n VAL 56 Ca 0.00 -5.21 -0.07 0.00 -2.04 0.00 0.00 64.34 57.03 2gtl n VAL 56 Cb 0.37 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2gtl n VAL 56 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2gtl n ARG 57 N -0.32 -0.41 0.06 7.34 1.74 -1.20 -3.73 116.66 120.13 2gtl n ARG 57 Ca 0.45 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.87 2gtl n ARG 57 Cb 0.35 -0.56 0.49 0.00 -1.02 0.00 0.00 32.46 31.71 2gtl n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gtl n GLY 58 N -0.70 -1.52 0.26 -0.13 0.00 0.20 -3.26 105.19 100.03 2gtl n GLY 58 Ca -0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2gtl n GLY 58 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2gtl h ASP 59 N 0.00 0.92 -4.23 1.61 2.03 -1.84 -3.37 116.42 111.53 2gtl h ASP 59 Ca 0.00 -0.40 -0.68 0.00 -0.73 0.00 0.00 57.03 55.22 2gtl h ASP 59 Cb 0.57 -0.26 -0.37 0.00 -0.83 0.00 0.00 39.33 38.44 2gtl h ASP 59 CO 0.00 1.17 -0.44 0.21 -1.03 0.00 0.00 179.24 179.15 2gtl s ASN 60 N -6.82 4.94 0.45 4.15 3.84 -1.20 -4.94 114.94 115.35 2gtl s ASN 60 Ca -0.10 -2.93 0.31 0.00 0.21 0.00 0.00 52.86 50.35 2gtl s ASN 60 Cb 0.12 -1.79 1.47 0.00 -0.55 0.00 0.00 41.25 40.50 2gtl s ASN 60 CO 0.87 -0.32 1.93 0.16 -2.79 0.00 0.00 177.10 176.94 2gtl h ILE 61 N 5.32 0.00 0.00 -5.21 3.07 -1.73 -2.08 117.51 116.87 2gtl h ILE 61 Ca -0.03 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.17 2gtl h ILE 61 Cb 0.93 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2gtl h ILE 61 CO 0.70 0.00 -0.12 -1.22 -1.05 0.00 0.00 178.15 176.47 2gtl n TYR 62 N -2.67 0.35 -1.44 0.16 4.02 -1.26 -4.17 117.16 112.15 2gtl n TYR 62 Ca -0.00 0.10 -0.33 0.00 -0.01 0.00 0.00 57.90 57.66 2gtl n TYR 62 Cb 0.17 -0.63 0.09 0.00 -0.02 0.00 0.00 39.34 38.95 2gtl n TYR 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2gtl s SER 63 N -3.60 4.38 0.20 7.72 1.04 -0.78 -4.81 113.70 117.85 2gtl s SER 63 Ca 0.12 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 2gtl s SER 63 Cb 0.16 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.85 2gtl s SER 63 CO 0.59 -2.13 1.62 1.55 0.98 0.00 0.00 173.24 175.85 2gtl h PRO 64 N -0.46 0.87 -0.18 4.02 0.13 -1.90 0.14 132.00 134.62 2gtl h PRO 64 Ca -0.46 -0.34 0.05 0.00 -0.87 0.00 0.00 66.00 64.38 2gtl h PRO 64 Cb 1.27 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2gtl h PRO 64 CO 0.50 0.98 -0.23 0.93 -0.23 0.00 0.00 178.00 179.95 2gtl h GLU 65 N 0.76 -0.26 -0.28 0.86 3.07 -1.92 0.28 114.58 117.10 2gtl h GLU 65 Ca 0.11 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 2gtl h GLU 65 Cb 0.72 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2gtl h GLU 65 CO 0.06 -0.17 -0.27 0.35 -1.40 0.00 0.00 179.01 177.57 2gtl h PHE 66 N -0.27 0.81 -0.72 4.33 3.57 -1.61 -2.87 116.94 120.18 2gtl h PHE 66 Ca 0.12 -0.24 0.15 0.00 3.53 0.00 0.00 57.97 61.53 2gtl h PHE 66 Cb 0.45 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 2gtl h PHE 66 CO -0.36 0.97 0.19 0.78 -2.23 0.00 0.00 178.31 177.67 2gtl h GLY 67 N 0.41 1.01 0.49 2.40 0.00 -0.04 0.33 103.07 107.67 2gtl h GLY 67 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2gtl h GLY 67 CO 0.07 -0.17 -0.48 0.00 0.00 0.00 0.00 176.54 175.96 2gtl h ALA 68 N 1.58 -1.14 -0.55 3.60 0.00 -0.33 -1.96 119.26 120.46 2gtl h ALA 68 Ca 0.40 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2gtl h ALA 68 Cb 0.66 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 2gtl h ALA 68 CO -0.48 -1.17 -0.48 1.25 0.00 0.00 0.00 179.25 178.38 2gtl h HIS 69 N -0.97 -1.49 -0.82 0.00 6.17 -0.84 -0.14 115.15 117.06 2gtl h HIS 69 Ca -0.06 0.09 0.13 0.00 0.71 0.00 0.00 60.37 61.24 2gtl h HIS 69 Cb 0.83 0.72 -0.14 0.00 2.52 0.00 0.00 27.41 31.35 2gtl h HIS 69 CO -0.24 -0.37 -0.29 0.45 0.71 0.00 0.00 177.93 178.19 2gtl n SER 70 N -4.91 -0.47 0.12 3.26 2.88 1.00 0.01 113.62 115.50 2gtl n SER 70 Ca -0.01 1.42 -0.13 0.00 -1.33 0.00 0.00 58.87 58.81 2gtl n SER 70 Cb 0.26 -0.35 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2gtl n SER 70 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2gtl h GLN 71 N 0.00 -0.22 -0.83 -1.46 5.75 -0.29 -2.16 115.11 115.90 2gtl h GLN 71 Ca 0.31 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 59.01 2gtl h GLN 71 Cb 0.51 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.00 2gtl h GLN 71 CO -0.82 -0.10 0.30 0.00 -2.65 0.00 0.00 178.83 175.56 2gtl h ARG 72 N -0.28 0.34 0.21 1.69 3.08 0.71 0.19 114.38 120.32 2gtl h ARG 72 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2gtl h ARG 72 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2gtl h ARG 72 CO 0.04 0.23 -0.11 0.28 -1.07 0.00 0.00 179.97 179.34 2gtl h VAL 73 N 0.36 0.00 -0.93 2.04 2.07 -0.84 -2.02 116.25 116.92 2gtl h VAL 73 Ca 0.49 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.29 2gtl h VAL 73 Cb 0.88 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.50 2gtl h VAL 73 CO -0.52 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.31 2gtl h LEU 74 N -0.29 0.06 -0.19 2.57 -0.00 -0.74 0.33 115.31 117.06 2gtl h LEU 74 Ca -0.03 0.21 0.05 0.00 -0.00 0.00 0.00 57.88 58.11 2gtl h LEU 74 Cb 0.23 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 2gtl h LEU 74 CO 0.04 -0.21 -0.12 -1.28 -0.00 0.00 0.00 178.44 176.87 2gtl h SER 75 N 0.18 -0.39 -0.76 -0.43 0.87 -0.43 0.23 113.55 112.82 2gtl h SER 75 Ca 0.62 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 61.35 2gtl h SER 75 Cb 1.35 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 63.45 2gtl h SER 75 CO -0.69 -0.16 0.43 1.23 -0.53 0.00 0.00 176.83 177.11 2gtl h GLY 76 N -0.11 1.15 0.82 5.77 0.00 0.36 0.20 103.07 111.26 2gtl h GLY 76 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.20 2gtl h GLY 76 CO -0.26 0.15 0.64 -2.00 0.00 0.00 0.00 176.54 175.07 2gtl h LEU 77 N 0.76 1.05 0.05 3.11 5.85 -0.19 -0.50 115.31 125.44 2gtl h LEU 77 Ca 0.35 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.08 2gtl h LEU 77 Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2gtl h LEU 77 CO -0.22 0.69 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.72 2gtl h ASP 78 N 1.20 -0.22 0.15 1.25 1.82 0.24 -1.04 116.42 119.83 2gtl h ASP 78 Ca 0.41 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2gtl h ASP 78 Cb 0.09 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 2gtl h ASP 78 CO -0.15 -0.12 -0.36 0.40 -1.61 0.00 0.00 179.24 177.40 2gtl h ILE 79 N -0.16 0.00 -0.66 2.25 2.04 0.00 0.15 117.51 121.13 2gtl h ILE 79 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 2gtl h ILE 79 Cb 0.17 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.14 2gtl h ILE 79 CO -0.04 0.00 -0.42 0.71 0.00 0.00 0.00 178.15 178.40 2gtl h THR 80 N -0.57 0.09 -0.86 -0.27 1.35 -1.05 0.47 112.91 112.06 2gtl h THR 80 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.97 2gtl h THR 80 Cb 0.55 0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 66.99 2gtl h THR 80 CO -0.16 0.00 0.56 0.40 -0.25 0.00 0.00 175.52 176.07 2gtl h ILE 81 N -0.17 0.89 0.00 6.82 2.04 -0.69 0.34 117.51 126.74 2gtl h ILE 81 Ca 0.21 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2gtl h ILE 81 Cb 0.56 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2gtl h ILE 81 CO -0.74 0.13 0.00 -1.54 0.00 0.00 0.00 178.15 176.00 2gtl n SER 82 N -4.54 0.00 -0.14 1.72 3.41 0.16 -2.69 113.62 111.54 2gtl n SER 82 Ca 0.16 -1.35 0.02 0.00 -0.26 0.00 0.00 58.87 57.43 2gtl n SER 82 Cb 0.41 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2gtl n SER 82 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2gtl n MET 83 N -0.77 0.06 0.18 4.33 2.81 0.12 -4.68 117.12 119.18 2gtl n MET 83 Ca 0.12 -0.86 0.17 0.00 -1.81 0.00 0.00 57.70 55.31 2gtl n MET 83 Cb 0.05 -1.06 0.79 0.00 -0.71 0.00 0.00 33.22 32.29 2gtl n MET 83 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2gtl h LEU 84 N 0.63 0.00 0.08 4.03 4.07 -1.29 -1.46 115.31 121.37 2gtl h LEU 84 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 2gtl h LEU 84 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2gtl h LEU 84 CO 0.00 0.00 -1.27 -2.24 -1.08 0.00 0.00 178.44 173.85 2gtl h ASP 85 N 0.00 0.27 -3.38 -0.43 2.03 -1.83 -3.42 116.42 109.66 2gtl h ASP 85 Ca 0.10 -0.31 -0.73 0.00 -0.73 0.00 0.00 57.03 55.37 2gtl h ASP 85 Cb 0.53 -0.09 -0.26 0.00 -0.83 0.00 0.00 39.33 38.68 2gtl h ASP 85 CO -0.00 1.25 -0.40 0.42 -1.03 0.00 0.00 179.24 179.47 2gtl s THR 86 N -2.66 4.62 0.14 1.15 -4.23 -0.55 -4.98 115.64 109.13 2gtl s THR 86 Ca -0.04 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 2gtl s THR 86 Cb 0.08 -3.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 2gtl s THR 86 CO 0.85 -0.56 1.75 1.55 -0.54 0.00 0.00 174.62 177.67 2gtl h PRO 87 N 8.55 0.53 -0.71 3.99 0.13 -1.82 -2.55 132.00 140.12 2gtl h PRO 87 Ca -0.25 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.90 2gtl h PRO 87 Cb 1.09 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2gtl h PRO 87 CO 0.82 0.42 0.47 0.38 -0.23 0.00 0.00 178.00 179.86 2gtl h ASP 88 N 0.49 0.61 0.14 1.44 2.03 -1.94 0.69 116.42 119.89 2gtl h ASP 88 Ca 0.14 0.01 -0.28 0.00 -0.73 0.00 0.00 57.03 56.16 2gtl h ASP 88 Cb 0.04 -0.12 0.03 0.00 -0.83 0.00 0.00 39.33 38.45 2gtl h ASP 88 CO -0.02 0.39 -1.17 0.24 -1.03 0.00 0.00 179.24 177.65 2gtl h MET 89 N 0.69 0.55 0.58 4.15 2.86 -1.88 -3.08 114.93 118.79 2gtl h MET 89 Ca 0.31 -0.78 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 2gtl h MET 89 Cb 0.33 0.26 0.01 0.00 0.06 0.00 0.00 31.60 32.26 2gtl h MET 89 CO -0.11 1.35 -0.28 1.25 1.06 0.00 0.00 176.91 180.19 2gtl h LEU 90 N 0.13 -0.65 -0.98 1.22 5.85 -1.00 0.29 115.31 120.16 2gtl h LEU 90 Ca -0.19 -0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.77 2gtl h LEU 90 Cb 1.87 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 42.94 2gtl h LEU 90 CO 0.22 -0.41 0.56 0.00 -0.34 0.00 0.00 178.44 178.47 2gtl h ALA 91 N -0.48 1.74 0.12 1.25 0.00 -1.00 0.78 119.26 121.67 2gtl h ALA 91 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2gtl h ALA 91 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2gtl h ALA 91 CO 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 2gtl h ALA 92 N 1.74 -0.16 -0.35 0.00 0.00 -1.40 -2.35 119.26 116.74 2gtl h ALA 92 Ca 0.64 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.36 2gtl h ALA 92 Cb 1.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2gtl h ALA 92 CO -0.50 -0.31 0.09 0.37 0.00 0.00 0.00 179.25 178.90 2gtl h GLN 93 N -0.72 0.21 -0.02 0.00 5.75 0.97 -0.20 115.11 121.10 2gtl h GLN 93 Ca -0.02 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2gtl h GLN 93 Cb 0.53 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 2gtl h GLN 93 CO 0.03 0.14 -0.07 -0.07 -2.65 0.00 0.00 178.83 176.21 2gtl h LEU 94 N 0.22 -0.21 -0.90 -2.39 3.38 0.45 -0.66 115.31 115.20 2gtl h LEU 94 Ca 0.16 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2gtl h LEU 94 Cb 0.17 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2gtl h LEU 94 CO -0.20 -0.11 0.51 0.00 0.09 0.00 0.00 178.44 178.74 2gtl h ALA 95 N 0.89 1.35 -0.87 1.53 0.00 -0.91 0.26 119.26 121.51 2gtl h ALA 95 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gtl h ALA 95 Cb 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2gtl h ALA 95 CO -0.09 0.04 0.46 1.25 0.00 0.00 0.00 179.25 180.91 2gtl h HIS 96 N 0.77 1.22 -0.37 0.00 -0.00 -0.17 -2.74 115.15 113.85 2gtl h HIS 96 Ca 0.47 -0.04 -0.16 0.00 -0.00 0.00 0.00 60.37 60.64 2gtl h HIS 96 Cb 0.57 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2gtl h HIS 96 CO -0.05 0.85 -0.39 -0.07 -0.00 0.00 0.00 177.93 178.27 2gtl h LEU 97 N 1.23 0.97 -0.81 0.26 3.38 0.46 -3.12 115.31 117.68 2gtl h LEU 97 Ca 0.31 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.95 2gtl h LEU 97 Cb 0.05 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 2gtl h LEU 97 CO -0.05 1.23 0.43 0.50 0.09 0.00 0.00 178.44 180.65 2gtl h LYS 98 N 0.74 0.65 -0.04 1.13 3.64 -0.79 -2.09 116.57 119.81 2gtl h LYS 98 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2gtl h LYS 98 Cb 0.98 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2gtl h LYS 98 CO 0.09 0.43 0.02 0.28 -2.27 0.00 0.00 179.45 178.01 2gtl h VAL 99 N 0.67 1.06 0.00 2.00 2.07 -1.46 0.13 116.25 120.73 2gtl h VAL 99 Ca 0.42 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2gtl h VAL 99 Cb 0.50 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2gtl h VAL 99 CO -0.31 0.05 0.01 0.00 0.02 0.00 0.00 177.57 177.35 2gtl n GLN 100 N -5.03 0.00 -0.05 1.57 6.02 -0.81 -3.24 117.38 115.84 2gtl n GLN 100 Ca -0.06 0.48 -0.11 0.00 -0.01 0.00 0.00 57.00 57.30 2gtl n GLN 100 Cb 0.06 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 2gtl n GLN 100 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gtl n HIS 101 N -1.48 0.00 -0.48 1.08 8.25 -0.78 -4.69 115.22 117.12 2gtl n HIS 101 Ca 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 57.72 57.86 2gtl n HIS 101 Cb 0.01 -0.41 0.66 0.00 1.12 0.00 0.00 29.99 31.37 2gtl n HIS 101 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2gtl n VAL 102 N -3.78 -0.20 0.13 1.59 3.14 0.39 -0.82 118.33 118.79 2gtl n VAL 102 Ca -0.20 1.64 0.00 0.00 -2.96 0.00 0.00 64.34 62.83 2gtl n VAL 102 Cb 0.53 -2.70 0.02 0.00 -1.06 0.00 0.00 33.84 30.64 2gtl n VAL 102 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2gtl n GLU 103 N -4.45 0.07 -4.09 1.45 -0.58 -1.24 -4.65 120.64 107.14 2gtl n GLU 103 Ca 0.39 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2gtl n GLU 103 Cb 1.55 -1.18 -0.11 0.00 -0.57 0.00 0.00 31.44 31.13 2gtl n GLU 103 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2gtl s ARG 104 N -2.00 0.61 -0.80 3.49 0.52 0.00 -5.06 118.95 115.72 2gtl s ARG 104 Ca 0.01 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.01 2gtl s ARG 104 Cb 0.01 -0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 2gtl s ARG 104 CO 0.01 0.01 2.18 -0.80 0.02 0.00 0.00 175.30 176.73 2gtl s ASN 105 N -2.10 4.53 -0.31 0.23 0.01 -1.26 -4.88 114.94 111.16 2gtl s ASN 105 Ca -0.03 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 2gtl s ASN 105 Cb -0.04 -2.55 0.09 0.00 0.41 0.00 0.00 41.25 39.16 2gtl s ASN 105 CO -0.02 -3.24 0.00 -0.76 -1.51 0.00 0.00 177.10 171.57 2gtl s LEU 106 N 12.29 4.32 -0.02 0.60 1.43 -1.26 -4.97 118.68 131.06 2gtl s LEU 106 Ca 0.82 -1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.70 2gtl s LEU 106 Cb -0.11 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 2gtl s LEU 106 CO 0.07 -0.32 2.03 0.29 0.23 0.00 0.00 176.35 178.64 2gtl n LYS 107 N 4.32 2.66 0.31 1.70 4.01 -1.26 -4.80 118.16 125.11 2gtl n LYS 107 Ca -0.02 0.94 0.09 0.00 -0.51 0.00 0.00 58.31 58.81 2gtl n LYS 107 Cb 0.42 -3.05 0.48 0.00 -0.51 0.00 0.00 35.03 32.37 2gtl n LYS 107 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2gtl h PRO 108 N 11.50 0.00 0.00 1.97 0.13 -1.97 0.56 132.00 144.19 2gtl h PRO 108 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2gtl h PRO 108 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2gtl h PRO 108 CO 0.94 0.00 -0.12 1.05 -0.23 0.00 0.00 178.00 179.64 2gtl h GLU 109 N 0.00 0.00 -0.63 0.86 4.11 -2.01 -3.18 114.58 113.73 2gtl h GLU 109 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2gtl h GLU 109 Cb 1.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2gtl h GLU 109 CO 0.00 0.12 0.29 0.74 0.07 0.00 0.00 179.01 180.23 2gtl h PHE 110 N 0.00 0.52 -0.70 2.06 0.05 -0.22 -1.16 116.94 117.49 2gtl h PHE 110 Ca -0.00 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.74 2gtl h PHE 110 Cb 0.77 -0.14 -0.03 0.00 2.00 0.00 0.00 35.95 38.56 2gtl h PHE 110 CO 0.00 0.20 0.16 0.74 -0.18 0.00 0.00 178.31 179.23 2gtl h PHE 111 N 0.52 1.19 -0.03 -0.55 -1.00 -1.72 0.15 116.94 115.50 2gtl h PHE 111 Ca 0.30 -0.15 0.01 0.00 2.81 0.00 0.00 57.97 60.94 2gtl h PHE 111 Cb 0.30 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 2gtl h PHE 111 CO -0.12 0.97 0.03 -0.44 -1.61 0.00 0.00 178.31 177.13 2gtl h ASP 112 N 1.07 0.00 0.12 2.17 3.45 -1.34 0.45 116.42 122.33 2gtl h ASP 112 Ca 0.22 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 2gtl h ASP 112 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 2gtl h ASP 112 CO 0.00 0.00 -0.06 0.40 -1.57 0.00 0.00 179.24 178.02 2gtl h ILE 113 N 0.00 0.80 -0.68 0.35 2.04 -0.11 -2.52 117.51 117.39 2gtl h ILE 113 Ca 0.02 -1.29 0.13 0.00 1.00 0.00 0.00 64.86 64.72 2gtl h ILE 113 Cb 0.07 1.41 -0.13 0.00 -0.74 0.00 0.00 36.82 37.43 2gtl h ILE 113 CO -0.00 0.23 -0.25 0.15 0.00 0.00 0.00 178.15 178.29 2gtl h PHE 114 N -0.93 -0.61 -0.32 1.37 3.57 -0.07 0.56 116.94 120.52 2gtl h PHE 114 Ca -0.02 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2gtl h PHE 114 Cb 0.50 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 2gtl h PHE 114 CO 0.10 -0.34 0.10 1.25 -2.23 0.00 0.00 178.31 177.18 2gtl h LEU 115 N -0.06 0.09 -0.54 0.59 5.85 -1.01 0.09 115.31 120.32 2gtl h LEU 115 Ca 0.30 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.17 2gtl h LEU 115 Cb 0.54 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 2gtl h LEU 115 CO -0.73 0.09 -0.25 0.50 -0.34 0.00 0.00 178.44 177.71 2gtl h LYS 116 N 0.23 -0.12 -0.10 1.25 3.64 -0.45 -1.88 116.57 119.15 2gtl h LYS 116 Ca 0.14 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2gtl h LYS 116 Cb 0.13 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2gtl h LYS 116 CO -0.16 -0.08 -0.11 0.45 -2.27 0.00 0.00 179.45 177.29 2gtl h HIS 117 N -0.12 0.29 -1.08 1.91 3.86 -0.91 -1.84 115.15 117.25 2gtl h HIS 117 Ca 0.24 -0.09 0.30 0.00 -1.16 0.00 0.00 60.37 59.66 2gtl h HIS 117 Cb 0.51 -0.06 -0.11 0.00 1.06 0.00 0.00 27.41 28.80 2gtl h HIS 117 CO -0.55 0.68 0.67 1.25 0.86 0.00 0.00 177.93 180.84 2gtl h LEU 118 N -0.18 0.46 -0.02 2.43 5.85 -0.59 0.64 115.31 123.90 2gtl h LEU 118 Ca 0.01 0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.64 2gtl h LEU 118 Cb 0.63 0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.73 2gtl h LEU 118 CO 0.03 0.01 -0.83 -0.07 -0.34 0.00 0.00 178.44 177.23 2gtl h LEU 119 N 0.36 0.76 -0.17 2.25 3.38 -1.24 -1.79 115.31 118.85 2gtl h LEU 119 Ca 0.67 -0.73 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2gtl h LEU 119 Cb 1.68 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 2gtl h LEU 119 CO -0.40 1.39 -0.07 -0.74 0.09 0.00 0.00 178.44 178.72 2gtl h HIS 120 N 0.20 -0.15 0.35 1.13 2.76 0.88 0.18 115.15 120.50 2gtl h HIS 120 Ca -0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2gtl h HIS 120 Cb 1.51 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.56 2gtl h HIS 120 CO 0.12 -0.11 -0.17 0.28 -1.30 0.00 0.00 177.93 176.75 2gtl h VAL 121 N -0.04 0.67 -0.70 5.26 2.07 -0.19 -2.10 116.25 121.22 2gtl h VAL 121 Ca 0.09 -0.19 0.15 0.00 0.82 0.00 0.00 66.70 67.57 2gtl h VAL 121 Cb 0.17 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2gtl h VAL 121 CO -0.20 0.04 0.47 -0.07 0.02 0.00 0.00 177.57 177.83 2gtl h LEU 122 N -0.57 0.28 -0.28 2.57 3.38 -1.17 0.62 115.31 120.15 2gtl h LEU 122 Ca -0.05 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2gtl h LEU 122 Cb 0.42 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2gtl h LEU 122 CO 0.08 0.15 -0.04 1.23 0.09 0.00 0.00 178.44 179.95 2gtl h GLY 123 N 0.30 0.23 0.89 0.83 0.00 0.04 0.32 103.07 105.69 2gtl h GLY 123 Ca 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 2gtl h GLY 123 CO -0.09 -0.08 -0.28 -0.55 0.00 0.00 0.00 176.54 175.54 2gtl h ASP 124 N 0.04 -0.67 -0.29 0.19 3.45 -0.58 0.13 116.42 118.69 2gtl h ASP 124 Ca 0.13 -0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.64 2gtl h ASP 124 Cb 0.19 0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 39.06 2gtl h ASP 124 CO -0.26 -0.40 -0.20 0.03 -1.57 0.00 0.00 179.24 176.85 2gtl h ARG 125 N -0.91 -0.17 0.00 3.56 2.47 -1.02 -3.07 114.38 115.25 2gtl h ARG 125 Ca -0.08 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.50 2gtl h ARG 125 Cb 0.65 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 2gtl h ARG 125 CO 0.13 -0.11 -0.87 -0.07 0.56 0.00 0.00 179.97 179.62 2gtl h LEU 126 N -0.17 0.00 0.00 3.04 3.38 -0.40 -3.48 115.31 117.67 2gtl h LEU 126 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gtl h LEU 126 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2gtl h LEU 126 CO -0.39 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2gtl n GLY 127 N 1.31 0.43 0.16 0.83 0.00 0.46 -3.98 105.19 104.40 2gtl n GLY 127 Ca -0.02 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2gtl n GLY 127 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gtl h THR 128 N 0.00 0.00 0.00 2.61 1.35 -1.93 -3.20 112.91 111.73 2gtl h THR 128 Ca 0.00 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 65.01 2gtl h THR 128 Cb 0.00 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2gtl h THR 128 CO 0.00 0.00 -0.35 0.45 -0.25 0.00 0.00 175.52 175.37 2gtl h HIS 129 N 0.00 0.00 -0.54 4.73 -0.00 -1.95 -3.45 115.15 113.94 2gtl h HIS 129 Ca 0.00 0.00 -0.80 0.00 -0.00 0.00 0.00 60.37 59.57 2gtl h HIS 129 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 2gtl h HIS 129 CO 0.00 0.35 1.07 0.34 -0.00 0.00 0.00 177.93 179.69 2gtl n PHE 130 N -3.65 1.47 -2.63 2.45 7.35 -1.21 -4.81 117.46 116.43 2gtl n PHE 130 Ca -0.01 0.85 -0.43 0.00 -0.76 0.00 0.00 57.45 57.10 2gtl n PHE 130 Cb 0.46 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 37.99 2gtl n PHE 130 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2gtl n ASP 131 N 6.28 4.97 -0.21 -2.13 4.64 -1.26 -4.82 116.55 124.02 2gtl n ASP 131 Ca 0.44 -2.95 -0.08 0.00 -1.38 0.00 0.00 54.79 50.82 2gtl n ASP 131 Cb -0.02 -1.65 -0.03 0.00 -1.04 0.00 0.00 41.12 38.38 2gtl n ASP 131 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2gtl h PHE 132 N 7.14 -1.21 -0.49 -0.67 3.04 -1.95 -1.61 116.94 121.18 2gtl h PHE 132 Ca 0.41 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.49 2gtl h PHE 132 Cb 0.83 0.61 -0.07 0.00 2.56 0.00 0.00 35.95 39.88 2gtl h PHE 132 CO 1.29 -0.41 -0.44 0.78 -2.02 0.00 0.00 178.31 177.51 2gtl h GLY 133 N -0.21 -1.26 0.11 2.40 0.00 -1.99 0.93 103.07 103.05 2gtl h GLY 133 Ca 0.19 0.80 0.12 0.00 0.00 0.00 0.00 47.33 48.45 2gtl h GLY 133 CO -0.70 -0.24 0.13 0.00 0.00 0.00 0.00 176.54 175.72 2gtl h ALA 134 N -0.15 0.75 0.46 3.60 0.00 -1.68 -1.30 119.26 120.94 2gtl h ALA 134 Ca 0.08 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2gtl h ALA 134 Cb 0.40 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2gtl h ALA 134 CO -0.56 -0.32 -0.22 -1.49 0.00 0.00 0.00 179.25 176.66 2gtl h TRP 135 N 0.25 -0.57 -0.32 0.00 4.06 -0.32 -0.45 115.95 118.60 2gtl h TRP 135 Ca 0.34 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.34 2gtl h TRP 135 Cb 0.52 0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 28.79 2gtl h TRP 135 CO -0.26 -0.26 -0.38 1.25 -3.56 0.00 0.00 178.44 175.22 2gtl h HIS 136 N -0.83 -1.08 -0.94 0.49 2.76 -0.57 1.10 115.15 116.09 2gtl h HIS 136 Ca -0.06 0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.24 2gtl h HIS 136 Cb 0.56 0.52 -0.06 0.00 1.55 0.00 0.00 27.41 29.98 2gtl h HIS 136 CO -0.00 -0.42 0.61 -0.44 -1.30 0.00 0.00 177.93 176.37 2gtl h ASP 137 N -0.34 0.92 0.03 3.26 3.45 -1.27 -2.48 116.42 119.99 2gtl h ASP 137 Ca 0.13 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.44 2gtl h ASP 137 Cb 0.57 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 2gtl h ASP 137 CO -0.50 0.57 -0.87 0.00 -1.57 0.00 0.00 179.24 176.86 2gtl h VAL 139 N -0.82 1.27 0.20 0.00 2.07 0.10 -3.03 116.25 116.05 2gtl h VAL 139 Ca -0.22 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.01 2gtl h VAL 139 Cb 1.32 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 2gtl h VAL 139 CO -0.07 0.39 -0.46 -0.78 0.02 0.00 0.00 177.57 176.67 2gtl h ASP 140 N 0.17 -1.33 -1.27 0.57 1.82 -1.56 0.27 116.42 115.09 2gtl h ASP 140 Ca 0.02 0.14 0.37 0.00 -0.39 0.00 0.00 57.03 57.17 2gtl h ASP 140 Cb 0.68 0.49 -0.08 0.00 0.68 0.00 0.00 39.33 41.10 2gtl h ASP 140 CO 0.05 -0.54 0.87 -0.61 -1.61 0.00 0.00 179.24 177.41 2gtl h GLN 141 N -0.75 0.12 -0.03 0.28 4.15 -1.61 0.52 115.11 117.79 2gtl h GLN 141 Ca -0.00 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 2gtl h GLN 141 Cb 0.73 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2gtl h GLN 141 CO -0.21 0.08 -0.82 0.82 -1.93 0.00 0.00 178.83 176.77 2gtl h ILE 142 N 0.12 1.42 0.11 2.39 2.04 -0.98 -3.17 117.51 119.45 2gtl h ILE 142 Ca 0.67 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 2gtl h ILE 142 Cb 2.31 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 40.68 2gtl h ILE 142 CO -0.17 0.70 -0.05 0.40 0.00 0.00 0.00 178.15 179.03 2gtl h ILE 143 N 0.20 1.09 -0.94 -0.67 2.04 0.95 -3.17 117.51 117.01 2gtl h ILE 143 Ca -0.05 -1.10 0.25 0.00 1.00 0.00 0.00 64.86 64.96 2gtl h ILE 143 Cb 1.42 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 2gtl h ILE 143 CO 0.13 0.25 0.65 0.44 0.00 0.00 0.00 178.15 179.62 2gtl h ASP 144 N -0.69 0.21 0.21 1.72 3.32 -1.41 0.97 116.42 120.74 2gtl h ASP 144 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2gtl h ASP 144 Cb 0.53 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2gtl h ASP 144 CO 0.03 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2gtl n GLY 145 N -1.61 -0.78 0.00 2.75 0.00 -1.20 -3.50 105.19 100.85 2gtl n GLY 145 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2gtl n GLY 145 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gtl n ILE 146 N -1.17 0.00 0.00 -0.61 5.41 0.29 -4.30 119.36 118.99 2gtl n ILE 146 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2gtl n ILE 146 Cb 0.12 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 2gtl n ILE 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72