#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtl h ASP 11 N 0.00 0.17 0.19 1.96 3.32 -2.03 -2.88 116.42 117.16 2gtl h ASP 11 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2gtl h ASP 11 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2gtl h ASP 11 CO 0.00 0.02 -0.09 1.55 -1.72 0.00 0.00 179.24 179.00 2gtl h PRO 12 N 0.15 -0.25 0.00 3.56 0.13 -2.04 -0.31 132.00 133.24 2gtl h PRO 12 Ca 0.59 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.73 2gtl h PRO 12 Cb 2.00 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 33.18 2gtl h PRO 12 CO -0.13 -0.04 -0.02 -0.09 -0.23 0.00 0.00 178.00 177.49 2gtl h ARG 13 N -1.03 0.00 0.04 0.86 2.43 -1.97 0.26 114.38 114.97 2gtl h ARG 13 Ca -0.03 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.78 2gtl h ARG 13 Cb 0.32 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 2gtl h ARG 13 CO 0.04 0.02 -2.18 1.28 -1.51 0.00 0.00 179.97 177.62 2gtl n LEU 14 N -3.42 2.04 0.12 3.80 7.99 -1.09 -2.82 117.00 123.62 2gtl n LEU 14 Ca -0.03 0.09 0.13 0.00 -0.01 0.00 0.00 56.01 56.19 2gtl n LEU 14 Cb 0.12 -0.58 0.42 0.00 -0.11 0.00 0.00 43.42 43.27 2gtl n LEU 14 CO 0.24 0.75 0.88 1.23 -1.51 0.00 0.00 177.39 178.99 2gtl h GLY 15 N 2.27 0.00 0.30 -0.72 0.00 -0.77 -3.13 103.07 101.02 2gtl h GLY 15 Ca -0.48 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.51 2gtl h GLY 15 CO 0.02 0.00 -2.18 0.00 0.00 0.00 0.00 176.54 174.37 2gtl n ALA 16 N -1.81 1.48 0.10 3.60 0.00 0.06 -3.93 120.51 120.01 2gtl n ALA 16 Ca 0.04 -1.14 0.01 0.00 0.00 0.00 0.00 53.44 52.35 2gtl n ALA 16 Cb 0.38 -0.39 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2gtl n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2gtl n ASN 17 N -2.88 0.00 -0.07 0.00 2.85 -1.13 -1.02 115.26 113.01 2gtl n ASN 17 Ca -0.29 0.12 -0.21 0.00 -0.11 0.00 0.00 54.58 54.10 2gtl n ASN 17 Cb 1.12 -0.17 -0.12 0.00 1.24 0.00 0.00 39.78 41.85 2gtl n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gtl h ALA 18 N 2.10 0.24 0.00 5.20 0.00 -1.68 -3.11 119.26 122.01 2gtl h ALA 18 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2gtl h ALA 18 Cb 0.01 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2gtl h ALA 18 CO 0.00 0.69 0.16 1.97 0.00 0.00 0.00 179.25 182.07 2gtl n PHE 19 N -4.29 0.52 0.07 0.00 -1.74 -0.19 0.13 117.46 111.96 2gtl n PHE 19 Ca -0.28 0.27 -0.22 0.00 -0.56 0.00 0.00 57.45 56.66 2gtl n PHE 19 Cb 0.73 -0.83 -0.15 0.00 1.52 0.00 0.00 39.48 40.75 2gtl n PHE 19 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 2gtl h LEU 20 N 0.00 0.58 0.01 5.98 6.46 -1.60 -3.31 115.31 123.43 2gtl h LEU 20 Ca 0.00 -0.90 -0.26 0.00 -0.12 0.00 0.00 57.88 56.60 2gtl h LEU 20 Cb 0.32 -0.19 0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2gtl h LEU 20 CO 0.00 1.77 -1.02 0.40 -0.62 0.00 0.00 178.44 178.96 2gtl h ILE 21 N 0.10 1.29 -0.76 4.05 2.04 0.11 -3.11 117.51 121.23 2gtl h ILE 21 Ca -0.35 -2.25 0.17 0.00 1.00 0.00 0.00 64.86 63.44 2gtl h ILE 21 Cb 2.09 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 40.55 2gtl h ILE 21 CO 0.17 0.69 0.52 -0.29 0.00 0.00 0.00 178.15 179.24 2gtl h ILE 22 N 0.34 0.73 0.71 -0.67 6.09 -0.34 -0.30 117.51 124.07 2gtl h ILE 22 Ca -0.13 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 63.22 2gtl h ILE 22 Cb 1.68 0.41 0.01 0.00 0.47 0.00 0.00 36.82 39.39 2gtl h ILE 22 CO 0.20 0.05 -0.34 0.03 -3.07 0.00 0.00 178.15 175.02 2gtl h ARG 23 N 0.30 -0.92 -0.51 2.19 -0.00 -1.62 -1.84 114.38 111.97 2gtl h ARG 23 Ca 0.38 0.06 0.15 0.00 -0.50 0.00 0.00 59.98 60.07 2gtl h ARG 23 Cb 1.04 0.21 -0.02 0.00 0.00 0.00 0.00 29.97 31.20 2gtl h ARG 23 CO -0.10 -0.61 0.55 -0.07 0.00 0.00 0.00 179.97 179.74 2gtl h LEU 24 N -0.97 0.00 -0.19 3.04 4.07 -1.09 0.72 115.31 120.89 2gtl h LEU 24 Ca -0.10 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 2gtl h LEU 24 Cb 0.74 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 2gtl h LEU 24 CO 0.16 0.00 -0.13 -0.78 -1.08 0.00 0.00 178.44 176.61 2gtl h ASP 25 N 0.00 0.44 -0.36 -0.43 -0.00 -0.77 0.25 116.42 115.55 2gtl h ASP 25 Ca 0.24 -0.44 -0.14 0.00 -0.00 0.00 0.00 57.03 56.69 2gtl h ASP 25 Cb 1.34 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 40.54 2gtl h ASP 25 CO -0.00 0.79 -0.33 0.03 -0.00 0.00 0.00 179.24 179.73 2gtl h ARG 26 N 0.09 0.86 0.73 0.28 3.08 -0.69 -2.57 114.38 116.16 2gtl h ARG 26 Ca 0.04 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 2gtl h ARG 26 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2gtl h ARG 26 CO 0.04 1.09 -0.49 0.82 -1.07 0.00 0.00 179.97 180.35 2gtl h ILE 27 N 0.66 0.03 -0.97 2.04 1.08 -0.95 0.61 117.51 120.01 2gtl h ILE 27 Ca 0.06 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.74 2gtl h ILE 27 Cb 0.91 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2gtl h ILE 27 CO 0.08 0.00 0.62 -0.29 -0.69 0.00 0.00 178.15 177.87 2gtl h ILE 28 N -1.16 0.67 0.23 -0.67 6.09 -0.54 0.23 117.51 122.37 2gtl h ILE 28 Ca -0.10 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.19 2gtl h ILE 28 Cb 0.94 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.30 2gtl h ILE 28 CO 0.07 0.10 -0.11 -0.08 -3.07 0.00 0.00 178.15 175.06 2gtl h GLU 29 N 0.55 -0.30 -0.65 2.19 4.81 -0.99 -2.53 114.58 117.66 2gtl h GLU 29 Ca 0.53 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.88 2gtl h GLU 29 Cb 1.10 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2gtl h GLU 29 CO -0.27 0.05 0.44 -0.22 -0.73 0.00 0.00 179.01 178.27 2gtl h LYS 30 N -0.72 0.49 0.00 1.92 3.64 -0.10 0.25 116.57 122.05 2gtl h LYS 30 Ca -0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2gtl h LYS 30 Cb 0.49 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2gtl h LYS 30 CO 0.05 0.33 -0.12 1.25 -2.27 0.00 0.00 179.45 178.69 2gtl h LEU 31 N 0.51 0.00 -0.49 5.20 6.46 -0.39 -1.58 115.31 125.03 2gtl h LEU 31 Ca 0.30 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 2gtl h LEU 31 Cb 0.50 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2gtl h LEU 31 CO -0.09 0.12 0.07 0.03 -0.62 0.00 0.00 178.44 177.94 2gtl h ARG 32 N 0.00 0.81 -0.99 1.25 2.47 -0.07 -2.08 114.38 115.77 2gtl h ARG 32 Ca -0.00 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.51 2gtl h ARG 32 Cb 0.21 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 2gtl h ARG 32 CO 0.02 0.82 0.66 1.15 0.56 0.00 0.00 179.97 183.18 2gtl h THR 33 N 0.68 1.25 -0.57 2.04 2.02 -1.19 -2.26 112.91 114.88 2gtl h THR 33 Ca 0.15 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 2gtl h THR 33 Cb 0.41 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2gtl h THR 33 CO 0.01 0.24 -0.02 0.11 0.37 0.00 0.00 175.52 176.23 2gtl h LYS 34 N 1.34 1.01 0.00 6.66 1.57 -1.17 -1.28 116.57 124.69 2gtl h LYS 34 Ca 0.37 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2gtl h LYS 34 Cb -0.14 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.08 2gtl h LYS 34 CO -0.08 1.00 0.00 1.25 -0.57 0.00 0.00 179.45 181.05 2gtl h LEU 35 N 0.92 0.00 0.18 2.94 5.85 -0.83 0.13 115.31 124.49 2gtl h LEU 35 Ca 0.16 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.55 2gtl h LEU 35 Cb 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.61 2gtl h LEU 35 CO 0.03 0.00 -1.60 0.44 -0.34 0.00 0.00 178.44 176.97 2gtl h ASP 36 N 0.00 0.60 -0.22 1.25 3.45 -0.81 -3.13 116.42 117.56 2gtl h ASP 36 Ca 0.00 -0.79 -0.13 0.00 0.43 0.00 0.00 57.03 56.55 2gtl h ASP 36 Cb 0.31 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 2gtl h ASP 36 CO 0.00 1.65 -0.30 -0.33 -1.57 0.00 0.00 179.24 178.69 2gtl h GLU 37 N 0.10 0.72 -0.21 3.56 4.39 -0.40 -3.10 114.58 119.65 2gtl h GLU 37 Ca -0.28 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 2gtl h GLU 37 Cb 2.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 2gtl h GLU 37 CO 0.20 0.93 -0.12 0.00 -1.16 0.00 0.00 179.01 178.86 2gtl h ALA 38 N 1.05 1.42 0.00 3.43 0.00 -0.87 -2.53 119.26 121.76 2gtl h ALA 38 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2gtl h ALA 38 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2gtl h ALA 38 CO 0.07 0.40 -0.08 1.05 0.00 0.00 0.00 179.25 180.69 2gtl h GLU 39 N 0.31 0.00 0.06 0.00 -0.00 -1.47 -3.01 114.58 110.47 2gtl h GLU 39 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.18 2gtl h GLU 39 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.14 2gtl h GLU 39 CO 0.02 0.08 -1.16 0.87 -0.00 0.00 0.00 179.01 178.83 2gtl h LYS 40 N 0.00 0.13 -3.48 1.06 1.57 -1.52 -3.38 116.57 110.96 2gtl h LYS 40 Ca -0.00 -0.23 -0.79 0.00 -1.87 0.00 0.00 60.65 57.76 2gtl h LYS 40 Cb 0.57 0.09 -0.29 0.00 0.08 0.00 0.00 32.23 32.68 2gtl h LYS 40 CO 0.01 1.09 0.43 -0.89 -0.57 0.00 0.00 179.45 179.52 2gtl n ILE 41 N -3.43 4.50 -3.23 1.86 5.41 -1.14 -5.02 119.36 118.32 2gtl n ILE 41 Ca -0.05 -5.41 -0.40 0.00 1.00 0.00 0.00 62.75 57.89 2gtl n ILE 41 Cb 0.99 -2.53 -0.07 0.00 -0.71 0.00 0.00 39.64 37.32 2gtl n ILE 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2gtl s ASP 42 N 0.89 6.53 -0.06 4.38 -1.08 -1.26 -4.94 116.67 121.13 2gtl s ASP 42 Ca 0.31 0.64 -0.07 0.00 -0.52 0.00 0.00 52.55 52.91 2gtl s ASP 42 Cb -0.08 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.05 2gtl s ASP 42 CO -0.07 -0.23 0.31 1.55 0.52 0.00 0.00 175.17 177.25 2gtl h PRO 43 N 7.65 -0.23 0.00 4.34 0.13 -1.95 -2.30 132.00 139.63 2gtl h PRO 43 Ca -0.32 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2gtl h PRO 43 Cb 1.15 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gtl h PRO 43 CO 0.74 -0.15 0.50 1.49 -0.23 0.00 0.00 178.00 180.34 2gtl h GLU 44 N -0.91 0.00 0.00 0.86 4.81 -1.99 0.11 114.58 117.45 2gtl h GLU 44 Ca -0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2gtl h GLU 44 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2gtl h GLU 44 CO 0.04 0.00 -0.61 1.25 -0.73 0.00 0.00 179.01 178.96 2gtl h HIS 45 N 0.00 0.00 -0.35 0.92 2.76 -1.98 -3.26 115.15 113.23 2gtl h HIS 45 Ca 0.00 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2gtl h HIS 45 Cb 1.00 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.88 2gtl h HIS 45 CO 0.00 0.64 -0.19 0.35 -1.30 0.00 0.00 177.93 177.43 2gtl h PHE 46 N -1.00 -0.47 -0.69 5.26 3.04 -0.33 -0.00 116.94 122.76 2gtl h PHE 46 Ca -0.12 0.04 0.14 0.00 3.98 0.00 0.00 57.97 62.01 2gtl h PHE 46 Cb 0.76 0.26 -0.10 0.00 2.56 0.00 0.00 35.95 39.43 2gtl h PHE 46 CO -0.01 -0.26 0.18 -0.24 -2.02 0.00 0.00 178.31 175.95 2gtl h VAL 47 N -0.13 0.59 -0.70 1.41 3.04 -1.09 0.32 116.25 119.69 2gtl h VAL 47 Ca 0.18 -0.10 0.03 0.00 -1.01 0.00 0.00 66.70 65.80 2gtl h VAL 47 Cb 0.40 0.27 -0.04 0.00 -2.01 0.00 0.00 31.29 29.91 2gtl h VAL 47 CO -0.43 0.05 0.46 -1.28 -1.01 0.00 0.00 177.57 175.36 2gtl h SER 48 N 0.29 0.73 -0.63 3.17 0.87 -1.09 0.87 113.55 117.77 2gtl h SER 48 Ca 0.38 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2gtl h SER 48 Cb 0.60 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2gtl h SER 48 CO -0.45 0.50 0.31 -0.08 -0.53 0.00 0.00 176.83 176.58 2gtl h GLU 49 N 0.85 0.90 -0.19 2.24 4.81 0.80 -0.97 114.58 123.01 2gtl h GLU 49 Ca 0.28 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2gtl h GLU 49 Cb 0.06 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2gtl h GLU 49 CO -0.08 0.71 -0.05 0.82 -0.73 0.00 0.00 179.01 179.68 2gtl h ILE 50 N 0.86 1.29 -0.05 2.32 1.08 -0.32 0.33 117.51 123.02 2gtl h ILE 50 Ca 0.22 -1.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 2gtl h ILE 50 Cb 0.10 1.59 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 2gtl h ILE 50 CO -0.03 0.32 -0.42 -0.78 -0.69 0.00 0.00 178.15 176.54 2gtl h ASP 51 N 0.09 -1.33 -0.72 1.72 1.82 -0.57 0.33 116.42 117.75 2gtl h ASP 51 Ca 0.05 0.15 0.08 0.00 -0.39 0.00 0.00 57.03 56.92 2gtl h ASP 51 Cb 0.51 0.51 -0.07 0.00 0.68 0.00 0.00 39.33 40.96 2gtl h ASP 51 CO 0.02 -0.40 0.38 0.00 -1.61 0.00 0.00 179.24 177.63 2gtl h ALA 52 N -0.61 0.99 -0.84 -0.78 0.00 -1.17 0.47 119.26 117.32 2gtl h ALA 52 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2gtl h ALA 52 Cb 0.55 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2gtl h ALA 52 CO -0.31 0.01 0.47 -0.09 0.00 0.00 0.00 179.25 179.33 2gtl h ARG 53 N 0.66 0.74 0.12 0.00 9.65 0.95 -0.95 114.38 125.55 2gtl h ARG 53 Ca 0.34 -0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 59.00 2gtl h ARG 53 Cb 0.31 -0.17 0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2gtl h ARG 53 CO -0.24 0.49 -0.76 0.28 2.80 0.00 0.00 179.97 182.55 2gtl h VAL 54 N 0.76 1.51 -0.71 0.20 2.07 0.76 -3.19 116.25 117.65 2gtl h VAL 54 Ca 0.42 -2.47 0.18 0.00 0.82 0.00 0.00 66.70 65.65 2gtl h VAL 54 Cb 0.43 3.13 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 2gtl h VAL 54 CO -0.27 0.70 0.49 0.74 0.02 0.00 0.00 177.57 179.25 2gtl h THR 55 N -0.36 0.71 -0.15 2.57 2.02 0.19 0.62 112.91 118.50 2gtl h THR 55 Ca -0.13 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2gtl h THR 55 Cb 1.57 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2gtl h THR 55 CO 0.14 0.03 -0.05 0.50 0.37 0.00 0.00 175.52 176.51 2gtl h LYS 56 N 0.16 0.23 0.12 6.66 3.64 -1.17 1.11 116.57 127.31 2gtl h LYS 56 Ca 0.34 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.48 2gtl h LYS 56 Cb 1.12 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2gtl h LYS 56 CO -0.05 0.30 -0.98 0.82 -2.27 0.00 0.00 179.45 177.26 2gtl h ILE 57 N 0.22 1.34 -0.79 2.00 2.04 0.10 -3.30 117.51 119.13 2gtl h ILE 57 Ca 0.05 -2.46 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 2gtl h ILE 57 Cb 0.24 3.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 2gtl h ILE 57 CO 0.01 0.69 0.38 -0.33 0.00 0.00 0.00 178.15 178.90 2gtl h GLU 58 N -0.42 1.14 -1.34 2.37 5.08 -0.77 -3.49 114.58 117.14 2gtl h GLU 58 Ca -0.20 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2gtl h GLU 58 Cb 1.62 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2gtl h GLU 58 CO 0.09 0.88 -0.22 0.41 -1.00 0.00 0.00 179.01 179.17 2gtl n GLY 59 N -0.99 -3.89 3.54 -3.84 0.00 0.38 -4.88 105.19 95.52 2gtl n GLY 59 Ca 0.07 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 2gtl n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gtl n THR 60 N 0.07 2.01 0.99 2.61 -2.24 -1.26 -4.78 114.28 111.67 2gtl n THR 60 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2gtl n THR 60 Cb 0.00 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.44 2gtl n THR 60 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2gtl n HIS 61 N -0.04 0.07 -4.42 4.78 8.25 -1.26 -4.80 115.22 117.80 2gtl n HIS 61 Ca 0.11 -0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 2gtl n HIS 61 Cb 0.33 -0.11 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 2gtl n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gtl s GLU 63 N -1.54 1.45 0.31 0.00 -1.05 -1.26 -4.83 118.70 111.78 2gtl s GLU 63 Ca 0.18 1.60 -0.26 0.00 -0.15 0.00 0.00 54.97 56.34 2gtl s GLU 63 Cb -0.11 -1.77 -0.15 0.00 -0.44 0.00 0.00 34.13 31.66 2gtl s GLU 63 CO 0.09 -2.32 0.70 0.36 0.95 0.00 0.00 175.26 175.03 2gtl n LYS 64 N -3.71 0.68 -1.71 -4.83 2.85 -1.26 -2.11 118.16 108.07 2gtl n LYS 64 Ca 0.12 0.24 -0.09 0.00 -1.05 0.00 0.00 58.31 57.54 2gtl n LYS 64 Cb 0.51 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 2gtl n LYS 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2gtl n ARG 65 N 0.78 -0.64 -4.21 -1.58 5.12 -1.26 -5.03 116.66 109.84 2gtl n ARG 65 Ca 0.13 0.61 -0.18 0.00 -1.93 0.00 0.00 57.85 56.48 2gtl n ARG 65 Cb 0.32 -4.53 -0.11 0.00 -1.16 0.00 0.00 32.46 26.98 2gtl n ARG 65 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2gtl s THR 66 N -2.37 1.20 -0.21 0.55 2.01 -0.90 -2.70 115.64 113.22 2gtl s THR 66 Ca 0.00 -1.56 -0.05 0.00 0.31 0.00 0.00 61.69 60.38 2gtl s THR 66 Cb 0.00 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2gtl s THR 66 CO 0.00 -0.37 0.01 0.12 -0.69 0.00 0.00 174.62 173.69 2gtl s PHE 67 N -1.87 3.05 -0.06 4.92 5.36 0.45 -4.86 117.98 124.97 2gtl s PHE 67 Ca 0.05 -0.47 -0.25 0.00 -0.96 0.00 0.00 56.93 55.29 2gtl s PHE 67 Cb -0.06 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 2gtl s PHE 67 CO 0.02 -0.26 0.79 -1.14 -1.46 0.00 0.00 175.22 173.17 2gtl s GLN 68 N 1.08 4.46 0.41 10.12 2.00 -1.26 -1.31 119.66 135.16 2gtl s GLN 68 Ca 0.02 1.04 0.04 0.00 -2.00 0.00 0.00 55.36 54.47 2gtl s GLN 68 Cb -0.14 -3.46 0.00 0.00 0.80 0.00 0.00 33.01 30.20 2gtl s GLN 68 CO 0.02 -0.01 0.59 0.00 -0.50 0.00 0.00 175.29 175.39 2gtl n GLY 70 N -1.90 0.00 0.00 0.00 0.00 -1.26 -4.32 105.19 97.71 2gtl n GLY 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2gtl n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gtl n GLY 71 N 0.00 -0.17 0.14 -0.02 0.00 -1.26 -2.08 105.19 101.80 2gtl n GLY 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2gtl n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gtl n ASN 72 N -1.08 1.96 -3.51 1.61 4.05 -1.26 -4.63 115.26 112.40 2gtl n ASN 72 Ca 0.00 0.31 -0.35 0.00 0.45 0.00 0.00 54.58 54.98 2gtl n ASN 72 Cb 0.14 -0.79 -0.02 0.00 1.23 0.00 0.00 39.78 40.34 2gtl n ASN 72 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2gtl n GLU 73 N -4.18 4.09 -1.70 1.20 1.02 -0.88 -5.05 120.64 115.14 2gtl n GLU 73 Ca -0.54 -4.69 -0.44 0.00 -0.02 0.00 0.00 57.16 51.47 2gtl n GLU 73 Cb 0.89 -2.38 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2gtl n GLU 73 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gtl n GLN 74 N 0.41 2.38 -3.62 3.49 6.02 -1.11 -4.54 117.38 120.40 2gtl n GLN 74 Ca 0.34 0.85 -0.06 0.00 -0.01 0.00 0.00 57.00 58.13 2gtl n GLN 74 Cb 0.34 -2.60 -0.05 0.00 1.02 0.00 0.00 30.24 28.95 2gtl n GLN 74 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2gtl s GLU 75 N 0.07 0.28 -0.02 -1.09 2.12 -1.26 -4.96 118.70 113.84 2gtl s GLU 75 Ca 0.70 0.16 -0.17 0.00 0.36 0.00 0.00 54.97 56.01 2gtl s GLU 75 Cb -0.59 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 33.88 2gtl s GLU 75 CO 0.44 -0.07 0.48 0.00 -0.54 0.00 0.00 175.26 175.58 2gtl s ILE 77 N -0.48 1.00 0.20 0.00 -1.09 -0.43 -4.89 121.20 115.51 2gtl s ILE 77 Ca 0.26 -0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 57.86 2gtl s ILE 77 Cb -0.17 -0.85 -0.09 0.00 -1.58 0.00 0.00 42.46 39.77 2gtl s ILE 77 CO 0.14 0.29 1.38 -0.55 -1.23 0.00 0.00 174.94 174.97 2gtl s SER 78 N -0.14 6.80 0.00 3.58 0.15 -1.26 0.17 113.70 122.99 2gtl s SER 78 Ca 0.02 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2gtl s SER 78 Cb -0.07 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2gtl s SER 78 CO 0.00 -0.62 0.13 -0.90 1.20 0.00 0.00 173.24 173.06 2gtl n ASP 79 N 2.83 0.00 -0.28 5.45 5.68 -1.10 -0.47 116.55 128.66 2gtl n ASP 79 Ca 0.08 -0.09 0.14 0.00 -0.50 0.00 0.00 54.79 54.42 2gtl n ASP 79 Cb 0.42 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.99 2gtl n ASP 79 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gtl n LEU 80 N -0.58 0.95 0.00 -2.12 7.99 -1.26 -3.17 117.00 118.81 2gtl n LEU 80 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 56.01 55.73 2gtl n LEU 80 Cb 0.00 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 2gtl n LEU 80 CO 0.00 0.16 -0.05 0.18 -1.51 0.00 0.00 177.39 176.18 2gtl n LEU 81 N -0.39 0.00 0.00 2.23 4.77 0.38 -4.79 117.00 119.20 2gtl n LEU 81 Ca 0.18 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2gtl n LEU 81 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2gtl n LEU 81 CO 0.20 0.00 0.00 0.55 -1.33 0.00 0.00 177.39 176.81 2gtl n VAL 82 N -0.63 0.00 -3.03 4.08 3.14 -1.05 -1.79 118.33 119.05 2gtl n VAL 82 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 2gtl n VAL 82 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 2gtl n VAL 82 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gtl n ASP 84 N 1.23 0.74 0.00 0.00 3.85 -0.74 -3.04 116.55 118.60 2gtl n ASP 84 Ca 0.17 -0.60 0.00 0.00 -0.71 0.00 0.00 54.79 53.65 2gtl n ASP 84 Cb 0.59 0.64 0.00 0.00 -1.35 0.00 0.00 41.12 41.00 2gtl n ASP 84 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gtl n GLY 85 N 1.49 1.33 3.40 6.12 0.00 -1.26 -4.53 105.19 111.73 2gtl n GLY 85 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2gtl n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gtl s HIS 86 N -2.17 2.89 -0.35 1.61 3.76 -1.26 -5.05 115.29 114.72 2gtl s HIS 86 Ca 0.00 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 54.03 2gtl s HIS 86 Cb 0.00 -1.92 -0.07 0.00 1.11 0.00 0.00 32.58 31.70 2gtl s HIS 86 CO 0.00 -0.22 2.30 1.63 -0.85 0.00 0.00 174.74 177.60 2gtl n LYS 87 N 3.72 1.46 -0.08 1.40 5.02 -1.26 -4.80 118.16 123.63 2gtl n LYS 87 Ca -0.18 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2gtl n LYS 87 Cb 0.52 -3.12 -0.13 0.00 -0.02 0.00 0.00 35.03 32.28 2gtl n LYS 87 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2gtl n ASP 88 N 12.69 0.92 -4.92 4.39 8.00 -1.26 -4.99 116.55 131.38 2gtl n ASP 88 Ca 0.35 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.58 2gtl n ASP 88 Cb 0.43 0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 42.46 2gtl n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gtl h HIS 90 N 1.50 0.67 -0.13 0.00 3.86 -1.94 -0.73 115.15 118.38 2gtl h HIS 90 Ca -0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2gtl h HIS 90 Cb 1.20 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2gtl h HIS 90 CO 0.55 0.42 0.00 0.27 0.86 0.00 0.00 177.93 180.04 2gtl n ASN 91 N -4.45 2.45 -0.62 2.45 0.23 -1.26 -4.93 115.26 109.13 2gtl n ASN 91 Ca 0.05 -1.81 -0.08 0.00 -0.53 0.00 0.00 54.58 52.20 2gtl n ASN 91 Cb 0.05 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 2gtl n ASN 91 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gtl n ALA 92 N 0.88 -0.12 0.04 -2.53 0.00 -0.28 -4.79 120.51 113.71 2gtl n ALA 92 Ca 0.17 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.77 2gtl n ALA 92 Cb 0.49 -1.67 0.15 0.00 0.00 0.00 0.00 19.45 18.41 2gtl n ALA 92 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2gtl n HIS 93 N -2.19 0.18 -0.58 0.00 -0.00 -1.26 -0.96 115.22 110.42 2gtl n HIS 93 Ca -0.08 0.09 -0.17 0.00 -0.00 0.00 0.00 57.72 57.56 2gtl n HIS 93 Cb 0.55 -0.61 0.09 0.00 -0.00 0.00 0.00 29.99 30.02 2gtl n HIS 93 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2gtl n ASP 94 N -1.66 4.49 0.00 0.26 5.68 -1.26 -3.29 116.55 120.77 2gtl n ASP 94 Ca -0.00 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 2gtl n ASP 94 Cb 0.05 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 2gtl n ASP 94 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2gtl n GLU 95 N -0.36 0.00 -1.67 0.11 4.07 -0.13 -4.25 120.64 118.41 2gtl n GLU 95 Ca 0.38 0.00 -0.47 0.00 -0.06 0.00 0.00 57.16 57.00 2gtl n GLU 95 Cb 1.04 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 32.37 2gtl n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2gtl n ASP 96 N 0.00 3.14 -0.27 4.31 -0.08 -1.13 -4.86 116.55 117.66 2gtl n ASP 96 Ca 0.00 1.04 -0.11 0.00 -1.51 0.00 0.00 54.79 54.21 2gtl n ASP 96 Cb 0.19 -1.39 -0.08 0.00 2.34 0.00 0.00 41.12 42.18 2gtl n ASP 96 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2gtl h PRO 97 N 7.11 -0.19 0.00 -0.67 0.13 -1.93 -0.79 132.00 135.67 2gtl h PRO 97 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gtl h PRO 97 Cb 1.27 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2gtl h PRO 97 CO 0.91 -0.12 0.60 -0.44 -0.23 0.00 0.00 178.00 178.71 2gtl h ASP 98 N -0.19 0.00 0.65 1.44 3.32 -1.98 0.41 116.42 120.06 2gtl h ASP 98 Ca 0.14 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.92 2gtl h ASP 98 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2gtl h ASP 98 CO -0.77 0.00 -1.29 0.58 -1.72 0.00 0.00 179.24 176.04 2gtl h VAL 99 N 0.00 1.42 -2.05 -1.35 2.07 -1.48 -3.36 116.25 111.50 2gtl h VAL 99 Ca 0.00 -3.05 -0.65 0.00 0.82 0.00 0.00 66.70 63.82 2gtl h VAL 99 Cb 1.20 2.85 -0.37 0.00 -1.52 0.00 0.00 31.29 33.45 2gtl h VAL 99 CO 0.00 0.87 -0.15 0.00 0.02 0.00 0.00 177.57 178.31 2gtl s ASP 101 N -2.82 6.86 0.39 0.00 -1.08 -1.15 -4.88 116.67 113.99 2gtl s ASP 101 Ca 0.47 1.00 0.16 0.00 -0.52 0.00 0.00 52.55 53.67 2gtl s ASP 101 Cb 0.31 -2.47 0.81 0.00 -1.46 0.00 0.00 42.92 40.11 2gtl s ASP 101 CO -0.18 -0.65 1.84 0.74 0.52 0.00 0.00 175.17 177.43 2gtl h THR 102 N 5.55 1.09 -0.22 1.71 2.02 -1.94 -3.16 112.91 117.96 2gtl h THR 102 Ca -0.22 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 65.79 2gtl h THR 102 Cb 1.08 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2gtl h THR 102 CO 0.93 0.34 0.37 0.77 0.37 0.00 0.00 175.52 178.30 2gtl h SER 103 N 0.00 0.00 -0.65 4.18 4.64 -1.98 -2.61 113.55 117.14 2gtl h SER 103 Ca -0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2gtl h SER 103 Cb 0.67 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 2gtl h SER 103 CO 0.04 0.00 0.10 0.58 -0.87 0.00 0.00 176.83 176.69 2gtl h VAL 104 N 0.00 0.55 -1.60 0.95 2.07 -1.87 -2.40 116.25 113.94 2gtl h VAL 104 Ca 0.10 -0.07 -0.58 0.00 0.82 0.00 0.00 66.70 66.97 2gtl h VAL 104 Cb 0.85 0.32 -0.42 0.00 -1.52 0.00 0.00 31.29 30.52 2gtl h VAL 104 CO -0.00 0.04 -0.73 1.33 0.02 0.00 0.00 177.57 178.22 2gtl n VAL 105 N -5.19 2.41 -2.30 2.57 0.24 -0.99 -4.99 118.33 110.08 2gtl n VAL 105 Ca 0.11 -4.97 -0.39 0.00 -2.04 0.00 0.00 64.34 57.05 2gtl n VAL 105 Cb 0.38 -1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 2gtl n VAL 105 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2gtl s LYS 106 N -3.52 4.26 0.25 7.34 2.20 -0.91 -4.92 119.74 124.44 2gtl s LYS 106 Ca 0.47 1.91 -0.31 0.00 -0.36 0.00 0.00 55.97 57.68 2gtl s LYS 106 Cb 0.39 -2.88 -0.12 0.00 -1.51 0.00 0.00 37.83 33.71 2gtl s LYS 106 CO -0.18 -0.16 1.57 0.00 -0.36 0.00 0.00 175.35 176.22 2gtl n ALA 107 N 0.48 2.12 0.00 3.13 0.00 -1.26 -1.60 120.51 123.38 2gtl n ALA 107 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2gtl n ALA 107 Cb 0.45 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2gtl n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gtl n GLY 108 N 2.66 0.98 3.77 0.00 0.00 -0.28 -5.03 105.19 107.28 2gtl n GLY 108 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2gtl n GLY 108 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gtl s ASN 109 N -1.80 6.98 -0.07 1.61 -0.87 -0.63 -4.85 114.94 115.31 2gtl s ASN 109 Ca 0.00 2.21 0.03 0.00 -1.57 0.00 0.00 52.86 53.53 2gtl s ASN 109 Cb 0.00 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.63 2gtl s ASN 109 CO 0.00 -0.34 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.35 2gtl s VAL 110 N -1.36 1.33 -0.10 1.60 1.01 -1.26 -1.49 120.40 120.14 2gtl s VAL 110 Ca 0.51 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2gtl s VAL 110 Cb -0.29 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 2gtl s VAL 110 CO 0.37 0.40 -0.23 -0.36 0.00 0.00 0.00 175.10 175.27 2gtl s PHE 111 N 0.52 2.57 0.36 5.22 0.40 0.28 -1.18 117.98 126.15 2gtl s PHE 111 Ca -0.14 -0.98 0.04 0.00 -0.60 0.00 0.00 56.93 55.25 2gtl s PHE 111 Cb -0.16 -1.71 -0.06 0.00 0.51 0.00 0.00 43.02 41.61 2gtl s PHE 111 CO 0.04 -0.38 0.05 -1.54 0.70 0.00 0.00 175.22 174.09 2gtl s SER 112 N 0.28 2.85 0.00 1.36 1.04 -0.96 0.25 113.70 118.53 2gtl s SER 112 Ca -0.17 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 54.85 2gtl s SER 112 Cb -0.17 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2gtl s SER 112 CO 0.08 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2gtl n GLY 113 N -0.80 2.16 3.76 7.32 0.00 -1.06 -1.05 105.19 115.52 2gtl n GLY 113 Ca -0.04 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 2gtl n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtl s THR 114 N -2.00 4.96 -0.42 2.61 2.01 -1.26 -1.18 115.64 120.36 2gtl s THR 114 Ca 0.00 1.21 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 2gtl s THR 114 Cb 0.00 -3.92 0.08 0.00 0.01 0.00 0.00 72.50 68.67 2gtl s THR 114 CO 0.00 0.40 0.26 -0.55 -0.69 0.00 0.00 174.62 174.03 2gtl s SER 115 N -0.02 5.63 -0.17 3.53 0.15 0.65 -3.64 113.70 119.83 2gtl s SER 115 Ca 0.31 -1.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.26 2gtl s SER 115 Cb -0.18 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2gtl s SER 115 CO 0.16 -0.54 0.53 0.42 1.20 0.00 0.00 173.24 175.02 2gtl s THR 116 N 1.42 5.11 -0.12 6.45 -4.23 -0.53 -3.14 115.64 120.60 2gtl s THR 116 Ca 0.03 1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 61.44 2gtl s THR 116 Cb -0.23 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.70 2gtl s THR 116 CO 0.02 0.21 0.23 0.26 -0.54 0.00 0.00 174.62 174.79 2gtl s TRP 117 N 1.39 3.55 0.00 3.99 0.52 -1.26 -1.80 118.94 125.33 2gtl s TRP 117 Ca 0.26 0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.97 2gtl s TRP 117 Cb -0.15 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 2gtl s TRP 117 CO 0.10 0.50 0.50 -2.39 0.02 0.00 0.00 176.95 175.68 2gtl n HIS 118 N 2.68 0.00 0.00 -1.98 1.44 -0.99 -4.95 115.22 111.42 2gtl n HIS 118 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2gtl n HIS 118 Cb 0.53 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.67 2gtl n HIS 118 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2gtl n GLY 119 N 0.00 0.00 0.76 -1.39 0.00 0.13 -4.97 105.19 99.72 2gtl n GLY 119 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2gtl n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gtl s LEU 121 N -1.24 -0.63 -1.16 0.00 1.43 -1.26 -5.04 118.68 110.78 2gtl s LEU 121 Ca 0.25 1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 54.47 2gtl s LEU 121 Cb 0.26 2.19 -0.01 0.00 0.03 0.00 0.00 46.19 48.66 2gtl s LEU 121 CO -0.06 -0.20 2.79 0.00 0.23 0.00 0.00 176.35 179.10 2gtl n ALA 122 N 2.66 6.98 -2.83 4.21 0.00 -1.26 -4.77 120.51 125.50 2gtl n ALA 122 Ca -0.14 -3.49 -0.35 0.00 0.00 0.00 0.00 53.44 49.46 2gtl n ALA 122 Cb 0.56 -2.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 2gtl n ALA 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gtl s ARG 123 N 0.17 3.50 0.34 0.00 0.52 -1.26 -5.09 118.95 117.14 2gtl s ARG 123 Ca 0.62 -0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 55.42 2gtl s ARG 123 Cb 0.23 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 2gtl s ARG 123 CO -0.09 0.69 0.94 -1.21 0.02 0.00 0.00 175.30 175.65 2gtl s GLU 124 N -1.61 4.50 -0.74 3.54 0.41 -1.26 -4.61 118.70 118.93 2gtl s GLU 124 Ca 0.24 1.27 -0.34 0.00 -0.41 0.00 0.00 54.97 55.72 2gtl s GLU 124 Cb -0.13 -2.69 -0.18 0.00 -1.78 0.00 0.00 34.13 29.35 2gtl s GLU 124 CO 0.14 0.23 2.46 -0.25 -0.49 0.00 0.00 175.26 177.35 2gtl n ASP 125 N 0.34 0.84 -3.72 -0.19 8.00 -1.26 -4.87 116.55 115.69 2gtl n ASP 125 Ca 0.03 0.27 -0.21 0.00 0.71 0.00 0.00 54.79 55.59 2gtl n ASP 125 Cb 0.51 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 2gtl n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gtl n HIS 126 N 10.20 0.69 -4.25 1.24 1.44 -1.19 -4.95 115.22 118.41 2gtl n HIS 126 Ca 0.57 -1.60 -0.30 0.00 -2.01 0.00 0.00 57.72 54.38 2gtl n HIS 126 Cb 0.09 -0.22 -0.09 0.00 0.12 0.00 0.00 29.99 29.89 2gtl n HIS 126 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2gtl s VAL 127 N -2.16 3.62 0.13 0.61 0.11 -1.25 -0.25 120.40 121.22 2gtl s VAL 127 Ca 0.01 -1.08 0.11 0.00 -2.93 0.00 0.00 61.98 58.09 2gtl s VAL 127 Cb -0.00 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2gtl s VAL 127 CO 0.01 0.17 -0.27 -0.89 -3.33 0.00 0.00 175.10 170.79 2gtl s THR 128 N -1.20 2.27 -0.35 5.04 2.01 -0.33 -2.40 115.64 120.68 2gtl s THR 128 Ca 0.22 -1.78 -0.00 0.00 0.31 0.00 0.00 61.69 60.44 2gtl s THR 128 Cb -0.11 -2.01 0.12 0.00 0.01 0.00 0.00 72.50 70.51 2gtl s THR 128 CO 0.14 0.08 0.17 -0.60 -0.69 0.00 0.00 174.62 173.72 2gtl s ARG 129 N -2.10 0.71 -0.16 4.92 3.52 0.10 -2.57 118.95 123.37 2gtl s ARG 129 Ca 0.14 -1.29 -0.25 0.00 -0.13 0.00 0.00 55.73 54.21 2gtl s ARG 129 Cb -0.10 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 2gtl s ARG 129 CO 0.06 -1.11 0.81 0.42 -0.81 0.00 0.00 175.30 174.67 2gtl s ILE 130 N 1.21 4.90 -0.09 4.11 1.01 0.14 -2.33 121.20 130.15 2gtl s ILE 130 Ca 0.14 1.59 -0.01 0.00 0.00 0.00 0.00 60.65 62.37 2gtl s ILE 130 Cb -0.21 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.17 2gtl s ILE 130 CO -0.12 0.05 -0.03 0.28 0.00 0.00 0.00 174.94 175.11 2gtl s THR 131 N 2.04 0.66 -0.09 2.92 -1.32 -0.56 0.10 115.64 119.39 2gtl s THR 131 Ca 0.37 -0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.50 2gtl s THR 131 Cb -0.17 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2gtl s THR 131 CO 0.13 0.30 1.74 -0.63 -2.21 0.00 0.00 174.62 173.94 2gtl s ILE 132 N 1.86 3.48 -0.08 5.08 -1.09 -0.55 -0.03 121.20 129.86 2gtl s ILE 132 Ca 0.05 0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 59.00 2gtl s ILE 132 Cb -0.12 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2gtl s ILE 132 CO -0.07 -0.10 0.15 0.74 -1.23 0.00 0.00 174.94 174.43 2gtl h THR 133 N 5.83 0.00 -4.44 2.92 2.02 -0.84 -0.73 112.91 117.67 2gtl h THR 133 Ca -0.40 -0.85 -0.28 0.00 0.77 0.00 0.00 66.41 65.65 2gtl h THR 133 Cb 1.19 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.45 2gtl h THR 133 CO 0.96 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 176.25 2gtl s ALA 134 N -2.89 1.36 -0.29 6.16 0.00 -0.72 -4.50 121.76 120.87 2gtl s ALA 134 Ca -0.02 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.21 2gtl s ALA 134 Cb 0.00 1.33 0.20 0.00 0.00 0.00 0.00 23.12 24.64 2gtl s ALA 134 CO 0.05 -0.57 0.61 -1.54 0.00 0.00 0.00 175.76 174.32 2gtl s SER 135 N -3.21 -1.50 0.18 0.00 1.04 -1.26 -1.75 113.70 107.19 2gtl s SER 135 Ca 0.39 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 2gtl s SER 135 Cb 0.07 2.05 -0.05 0.00 0.10 0.00 0.00 66.02 68.19 2gtl s SER 135 CO 0.14 -0.28 0.39 -0.54 0.98 0.00 0.00 173.24 173.93 2gtl s LYS 136 N 2.85 3.56 -0.35 4.02 1.02 0.03 -4.93 119.74 125.94 2gtl s LYS 136 Ca 0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.90 2gtl s LYS 136 Cb -0.11 -2.83 0.14 0.00 -0.52 0.00 0.00 37.83 34.50 2gtl s LYS 136 CO -0.24 0.42 0.20 0.50 -0.92 0.00 0.00 175.35 175.31 2gtl s ARG 137 N -3.07 0.52 -0.45 1.68 3.52 -1.26 -1.24 118.95 118.64 2gtl s ARG 137 Ca 0.40 -1.26 -0.44 0.00 -0.13 0.00 0.00 55.73 54.30 2gtl s ARG 137 Cb -0.11 -1.30 -0.18 0.00 -1.56 0.00 0.00 34.95 31.80 2gtl s ARG 137 CO 0.27 -1.19 1.86 0.54 -0.81 0.00 0.00 175.30 175.97 2gtl n ARG 138 N 4.15 0.31 0.15 5.12 5.12 -1.26 -4.80 116.66 125.45 2gtl n ARG 138 Ca 0.10 0.10 0.11 0.00 -1.93 0.00 0.00 57.85 56.23 2gtl n ARG 138 Cb 0.37 -1.70 0.55 0.00 -1.16 0.00 0.00 32.46 30.52 2gtl n ARG 138 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2gtl n LYS 139 N 5.80 0.14 -0.20 5.56 5.02 -1.26 -1.06 118.16 132.16 2gtl n LYS 139 Ca 0.39 0.61 0.09 0.00 -2.02 0.00 0.00 58.31 57.38 2gtl n LYS 139 Cb 0.01 -1.93 0.19 0.00 -0.02 0.00 0.00 35.03 33.28 2gtl n LYS 139 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2gtl n PHE 140 N -2.22 0.52 -2.82 2.13 1.16 -1.26 -4.70 117.46 110.27 2gtl n PHE 140 Ca -0.01 -0.34 -0.03 0.00 -1.87 0.00 0.00 57.45 55.19 2gtl n PHE 140 Cb 0.05 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 37.92 2gtl n PHE 140 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2gtl s PHE 141 N -1.15 -1.48 -0.19 2.97 5.99 -0.23 -5.04 117.98 118.85 2gtl s PHE 141 Ca 0.32 -0.39 0.22 0.00 0.00 0.00 0.00 56.93 57.08 2gtl s PHE 141 Cb 0.18 0.29 0.47 0.00 0.00 0.00 0.00 43.02 43.96 2gtl s PHE 141 CO 0.25 -1.14 1.64 1.79 -0.00 0.00 0.00 175.22 177.75 2gtl h THR 142 N 4.73 0.37 0.00 0.12 1.35 -1.78 -3.36 112.91 114.33 2gtl h THR 142 Ca 0.05 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2gtl h THR 142 Cb 1.13 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2gtl h THR 142 CO 0.01 0.19 0.10 0.00 -0.25 0.00 0.00 175.52 175.57 2gtl n ALA 143 N -2.16 0.66 -3.18 6.62 0.00 -1.17 -4.54 120.51 116.74 2gtl n ALA 143 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2gtl n ALA 143 Cb 0.55 -0.51 -0.11 0.00 0.00 0.00 0.00 19.45 19.38 2gtl n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gtl s ARG 144 N -1.91 0.37 -0.37 0.00 1.81 -1.26 -4.45 118.95 113.14 2gtl s ARG 144 Ca 0.00 0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.22 2gtl s ARG 144 Cb 0.00 0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.70 2gtl s ARG 144 CO 0.00 -0.06 0.21 0.42 -0.68 0.00 0.00 175.30 175.19 2gtl s ILE 145 N -0.03 4.63 0.18 1.52 -1.09 -0.89 -4.58 121.20 120.94 2gtl s ILE 145 Ca -0.02 -0.79 -0.24 0.00 -2.23 0.00 0.00 60.65 57.37 2gtl s ILE 145 Cb -0.03 -3.56 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 2gtl s ILE 145 CO 0.01 -0.20 0.77 0.26 -1.23 0.00 0.00 174.94 174.55 2gtl s TRP 146 N 1.57 3.86 0.07 3.97 0.52 -0.38 -0.60 118.94 127.95 2gtl s TRP 146 Ca 0.03 1.60 -0.20 0.00 0.02 0.00 0.00 56.10 57.55 2gtl s TRP 146 Cb -0.19 -2.75 0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2gtl s TRP 146 CO 0.07 0.48 0.46 -0.48 0.02 0.00 0.00 176.95 177.50 2gtl s LEU 147 N -1.31 0.17 0.08 2.99 2.34 0.36 -0.79 118.68 122.53 2gtl s LEU 147 Ca 0.37 0.00 0.06 0.00 0.06 0.00 0.00 54.13 54.63 2gtl s LEU 147 Cb -0.22 1.95 -0.04 0.00 -0.56 0.00 0.00 46.19 47.32 2gtl s LEU 147 CO 0.25 -0.74 -0.09 -0.13 -1.06 0.00 0.00 176.35 174.58 2gtl s ARG 148 N -2.79 2.22 0.20 1.48 0.52 -0.72 0.01 118.95 119.87 2gtl s ARG 148 Ca -0.03 -0.96 -0.17 0.00 -0.52 0.00 0.00 55.73 54.05 2gtl s ARG 148 Cb -0.00 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.15 2gtl s ARG 148 CO -0.05 0.53 0.51 0.00 0.02 0.00 0.00 175.30 176.31 2gtl s ALA 149 N -1.17 -0.83 -0.21 2.13 0.00 0.52 -0.13 121.76 122.06 2gtl s ALA 149 Ca 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 2gtl s ALA 149 Cb -0.11 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2gtl s ALA 149 CO 0.13 -0.80 -0.11 -1.17 0.00 0.00 0.00 175.76 173.80 2gtl s LEU 150 N -2.89 2.59 -0.24 0.00 2.96 0.95 0.19 118.68 122.24 2gtl s LEU 150 Ca 0.11 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2gtl s LEU 150 Cb -0.01 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2gtl s LEU 150 CO -0.02 -0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.37 2gtl s VAL 151 N 1.38 4.30 0.13 1.68 1.01 -0.51 -1.49 120.40 126.90 2gtl s VAL 151 Ca 0.05 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.95 2gtl s VAL 151 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2gtl s VAL 151 CO -0.08 0.35 -0.24 -1.61 0.00 0.00 0.00 175.10 173.53 2gtl s GLU 152 N 1.50 1.53 -0.33 2.72 2.02 -0.99 -1.11 118.70 124.04 2gtl s GLU 152 Ca 0.06 -1.30 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 2gtl s GLU 152 Cb -0.15 -1.97 0.12 0.00 0.10 0.00 0.00 34.13 32.24 2gtl s GLU 152 CO 0.03 0.46 0.18 -1.12 0.02 0.00 0.00 175.26 174.83 2gtl s SER 153 N -2.11 3.29 -0.83 -0.19 0.01 -0.91 0.03 113.70 112.98 2gtl s SER 153 Ca 0.16 -1.86 -0.25 0.00 1.31 0.00 0.00 55.95 55.30 2gtl s SER 153 Cb -0.10 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2gtl s SER 153 CO 0.07 -0.36 1.87 -1.61 0.41 0.00 0.00 173.24 173.62 2gtl s GLU 154 N 1.42 2.67 0.15 12.44 2.02 -1.01 -2.80 118.70 133.60 2gtl s GLU 154 Ca 0.14 -0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.10 2gtl s GLU 154 Cb -0.20 -4.89 -0.04 0.00 0.10 0.00 0.00 34.13 29.10 2gtl s GLU 154 CO -0.14 -3.09 -0.21 -0.48 0.02 0.00 0.00 175.26 171.35 2gtl s LEU 155 N 9.31 2.39 -0.13 1.80 2.34 -1.15 -3.76 118.68 129.48 2gtl s LEU 155 Ca 0.66 -0.81 -0.15 0.00 0.06 0.00 0.00 54.13 53.89 2gtl s LEU 155 Cb -0.08 -0.97 -0.05 0.00 -0.56 0.00 0.00 46.19 44.53 2gtl s LEU 155 CO 0.04 0.05 0.37 -0.70 -1.06 0.00 0.00 176.35 175.06 2gtl s GLU 156 N -2.47 4.24 0.00 1.48 2.12 -1.26 -2.00 118.70 120.80 2gtl s GLU 156 Ca 0.15 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2gtl s GLU 156 Cb -0.08 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2gtl s GLU 156 CO 0.07 0.27 0.00 0.54 -0.54 0.00 0.00 175.26 175.59 2gtl n ARG 157 N 3.40 3.10 -1.53 4.30 1.74 -1.20 -4.89 116.66 121.58 2gtl n ARG 157 Ca -0.10 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 2gtl n ARG 157 Cb 0.52 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.88 2gtl n ARG 157 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2gtl n HIS 158 N 0.00 1.07 0.00 -1.55 -0.00 -1.26 -4.12 115.22 109.36 2gtl n HIS 158 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 2gtl n HIS 158 Cb 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.51 2gtl n HIS 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gtl n GLY 159 N 6.21 1.09 0.00 1.57 0.00 -1.26 -5.01 105.19 107.79 2gtl n GLY 159 Ca 0.49 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2gtl n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gtl n GLU 160 N 0.00 2.72 -2.09 1.61 1.02 -1.26 -5.09 120.64 117.55 2gtl n GLU 160 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2gtl n GLU 160 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2gtl n GLU 160 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2gtl s ASN 161 N -0.31 6.73 0.47 1.62 0.01 -1.26 -3.24 114.94 118.96 2gtl s ASN 161 Ca 0.00 2.27 0.03 0.00 -0.71 0.00 0.00 52.86 54.45 2gtl s ASN 161 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2gtl s ASN 161 CO 0.00 -0.80 0.01 -0.69 -1.51 0.00 0.00 177.10 174.10 2gtl s VAL 162 N 2.63 1.42 -0.15 1.60 1.01 -0.85 -5.00 120.40 121.07 2gtl s VAL 162 Ca 0.69 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 2gtl s VAL 162 Cb -0.35 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2gtl s VAL 162 CO 0.29 0.00 0.12 -0.89 0.00 0.00 0.00 175.10 174.62 2gtl s THR 163 N -2.84 -0.16 -0.54 3.92 2.01 -1.26 -2.96 115.64 113.80 2gtl s THR 163 Ca 0.16 -0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.02 2gtl s THR 163 Cb 0.05 -0.50 0.14 0.00 0.01 0.00 0.00 72.50 72.19 2gtl s THR 163 CO 0.08 -0.15 0.47 -0.55 -0.69 0.00 0.00 174.62 173.78 2gtl s SER 164 N 2.20 6.04 0.35 3.53 0.15 -1.12 -4.91 113.70 119.94 2gtl s SER 164 Ca 0.04 -1.95 0.09 0.00 0.70 0.00 0.00 55.95 54.83 2gtl s SER 164 Cb -0.15 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 61.97 2gtl s SER 164 CO -0.08 -0.76 -0.09 -0.94 1.20 0.00 0.00 173.24 172.56 2gtl s SER 165 N 3.06 3.75 0.02 5.45 1.04 -1.26 -2.15 113.70 123.61 2gtl s SER 165 Ca 0.06 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.01 2gtl s SER 165 Cb -0.27 -0.36 0.08 0.00 0.10 0.00 0.00 66.02 65.58 2gtl s SER 165 CO 0.00 -0.21 0.73 0.72 0.98 0.00 0.00 173.24 175.46 2gtl s PHE 166 N -2.61 -0.53 0.14 5.02 -0.12 -0.27 -5.00 117.98 114.62 2gtl s PHE 166 Ca 0.33 0.63 -0.16 0.00 -0.05 0.00 0.00 56.93 57.67 2gtl s PHE 166 Cb 0.03 0.49 -0.07 0.00 -0.63 0.00 0.00 43.02 42.84 2gtl s PHE 166 CO 0.17 -0.65 0.58 -0.80 -0.05 0.00 0.00 175.22 174.46 2gtl s ASN 167 N -1.96 6.91 0.11 1.98 0.01 -1.26 -1.43 114.94 119.31 2gtl s ASN 167 Ca -0.03 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.33 2gtl s ASN 167 Cb -0.01 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2gtl s ASN 167 CO -0.02 0.13 -0.10 0.00 -1.51 0.00 0.00 177.10 175.60 2gtl s ALA 168 N -1.39 1.21 0.06 0.60 0.00 0.13 -1.11 121.76 121.26 2gtl s ALA 168 Ca 0.36 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2gtl s ALA 168 Cb -0.16 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2gtl s ALA 168 CO 0.19 -0.08 -0.12 -1.59 0.00 0.00 0.00 175.76 174.16 2gtl s LYS 169 N -3.21 0.75 0.00 0.00 -2.85 0.74 -0.36 119.74 114.82 2gtl s LYS 169 Ca 0.10 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 2gtl s LYS 169 Cb -0.00 -0.70 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 2gtl s LYS 169 CO -0.00 0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.01 2gtl n GLY 170 N 1.42 -0.69 3.42 0.59 0.00 0.10 -0.55 105.19 109.49 2gtl n GLY 170 Ca -0.21 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2gtl n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gtl s TYR 171 N -3.55 0.18 -0.08 1.61 1.13 -0.86 -0.48 117.35 115.30 2gtl s TYR 171 Ca 0.00 -0.54 0.04 0.00 -1.41 0.00 0.00 57.07 55.16 2gtl s TYR 171 Cb 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 2gtl s TYR 171 CO 0.00 -0.81 -0.20 -0.47 -2.51 0.00 0.00 175.55 171.56 2gtl s TYR 172 N -3.93 2.15 -0.26 -3.49 5.04 0.23 -1.03 117.35 116.05 2gtl s TYR 172 Ca 0.14 -0.81 -0.03 0.00 -2.44 0.00 0.00 57.07 53.92 2gtl s TYR 172 Cb 0.01 -1.46 0.02 0.00 0.35 0.00 0.00 41.96 40.88 2gtl s TYR 172 CO -0.01 -0.33 -0.01 1.21 -1.34 0.00 0.00 175.55 175.07 2gtl s ASN 173 N 0.35 4.60 0.13 4.32 3.04 -0.19 -2.08 114.94 125.11 2gtl s ASN 173 Ca -0.15 -0.80 -0.19 0.00 0.04 0.00 0.00 52.86 51.76 2gtl s ASN 173 Cb -0.16 -1.74 -0.01 0.00 -1.54 0.00 0.00 41.25 37.80 2gtl s ASN 173 CO 0.06 -0.15 1.73 -0.26 -3.04 0.00 0.00 177.10 175.45 2gtl h PHE 174 N 8.09 0.05 -0.78 0.43 -1.00 -1.87 0.63 116.94 122.49 2gtl h PHE 174 Ca -0.32 0.02 0.16 0.00 2.81 0.00 0.00 57.97 60.63 2gtl h PHE 174 Cb 1.12 0.01 -0.15 0.00 3.61 0.00 0.00 35.95 40.54 2gtl h PHE 174 CO 0.59 0.00 -0.17 0.00 -1.61 0.00 0.00 178.31 177.13 2gtl h ALA 175 N 1.18 0.56 -0.05 2.45 0.00 -1.89 -1.52 119.26 120.00 2gtl h ALA 175 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2gtl h ALA 175 Cb 0.12 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2gtl h ALA 175 CO -0.16 -0.41 0.00 -1.13 0.00 0.00 0.00 179.25 177.55 2gtl n SER 176 N -5.49 2.37 -3.50 0.00 3.41 -1.11 -4.94 113.62 104.35 2gtl n SER 176 Ca 0.12 -1.67 -0.26 0.00 -0.26 0.00 0.00 58.87 56.80 2gtl n SER 176 Cb 0.42 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 2gtl n SER 176 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2gtl n ARG 177 N 0.88 -4.04 -3.71 4.33 1.74 0.22 -4.61 116.66 111.48 2gtl n ARG 177 Ca 0.10 0.55 -0.36 0.00 -0.77 0.00 0.00 57.85 57.37 2gtl n ARG 177 Cb 0.40 -5.32 -0.06 0.00 -1.02 0.00 0.00 32.46 26.46 2gtl n ARG 177 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gtl s ARG 178 N -6.17 3.64 -0.18 5.56 0.52 -1.00 -0.86 118.95 120.46 2gtl s ARG 178 Ca 0.47 0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2gtl s ARG 178 Cb -0.24 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.15 2gtl s ARG 178 CO 0.58 0.66 -0.13 -1.17 0.02 0.00 0.00 175.30 175.26 2gtl s LEU 179 N -1.55 2.06 -0.17 2.53 2.96 0.24 -1.02 118.68 123.72 2gtl s LEU 179 Ca 0.26 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2gtl s LEU 179 Cb -0.14 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2gtl s LEU 179 CO 0.14 -0.09 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.38 2gtl s ILE 180 N 1.41 3.40 -0.20 6.68 1.01 -0.20 -1.13 121.20 132.17 2gtl s ILE 180 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2gtl s ILE 180 Cb -0.14 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2gtl s ILE 180 CO -0.10 0.48 -0.12 -0.76 0.00 0.00 0.00 174.94 174.43 2gtl s LEU 181 N 0.80 2.42 0.16 2.97 1.43 -0.39 -2.03 118.68 124.03 2gtl s LEU 181 Ca -0.03 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.21 2gtl s LEU 181 Cb -0.15 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2gtl s LEU 181 CO 0.01 -0.12 0.13 -0.76 0.23 0.00 0.00 176.35 175.85 2gtl s LEU 182 N 1.33 3.82 0.37 1.79 1.02 0.29 -1.43 118.68 125.87 2gtl s LEU 182 Ca -0.01 -0.11 -0.26 0.00 0.02 0.00 0.00 54.13 53.77 2gtl s LEU 182 Cb -0.16 -2.43 -0.09 0.00 0.02 0.00 0.00 46.19 43.53 2gtl s LEU 182 CO -0.09 0.08 1.16 -2.16 0.02 0.00 0.00 176.35 175.36 2gtl s PRO 183 N -3.04 4.18 -1.36 1.29 0.04 -1.26 -0.18 135.00 134.67 2gtl s PRO 183 Ca 0.31 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2gtl s PRO 183 Cb -0.10 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2gtl s PRO 183 CO 0.23 -0.21 2.39 2.41 0.04 0.00 0.00 177.00 181.87 2gtl n THR 184 N 0.30 3.38 -1.02 1.26 -1.04 -0.26 -4.43 114.28 112.47 2gtl n THR 184 Ca 0.03 -2.53 -0.07 0.00 -2.04 0.00 0.00 64.05 59.44 2gtl n THR 184 Cb 0.46 -2.53 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 2gtl n THR 184 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2gtl n ASP 185 N 5.37 -3.50 -4.54 8.00 8.00 -1.26 -4.80 116.55 123.81 2gtl n ASP 185 Ca 0.59 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.91 2gtl n ASP 185 Cb 0.32 -2.78 -0.06 0.00 -0.02 0.00 0.00 41.12 38.58 2gtl n ASP 185 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2gtl n ASP 186 N 0.02 1.76 -0.56 -2.24 9.92 -1.26 -4.73 116.55 119.46 2gtl n ASP 186 Ca -0.07 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 2gtl n ASP 186 Cb 0.37 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 2gtl n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gtl n HIS 187 N 14.81 0.00 0.82 1.24 -0.00 -1.26 -2.76 115.22 128.06 2gtl n HIS 187 Ca 0.45 -0.01 0.12 0.00 -0.00 0.00 0.00 57.72 58.28 2gtl n HIS 187 Cb 0.42 -0.02 0.24 0.00 -0.00 0.00 0.00 29.99 30.63 2gtl n HIS 187 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2gtl n ASP 188 N 0.51 2.82 -2.84 4.39 8.00 -1.26 -5.01 116.55 123.16 2gtl n ASP 188 Ca 0.00 -1.90 -0.08 0.00 0.71 0.00 0.00 54.79 53.53 2gtl n ASP 188 Cb 0.03 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2gtl n ASP 188 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2gtl n ASP 189 N 1.12 -7.95 -4.65 -2.24 4.64 -1.11 -5.04 116.55 101.31 2gtl n ASP 189 Ca 0.17 0.58 -0.31 0.00 -1.38 0.00 0.00 54.79 53.85 2gtl n ASP 189 Cb 0.53 -5.39 -0.09 0.00 -1.04 0.00 0.00 41.12 35.13 2gtl n ASP 189 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 2gtl s HIS 190 N -2.56 2.97 -0.18 -0.67 3.76 -1.26 -5.09 115.29 112.27 2gtl s HIS 190 Ca 0.24 -0.00 -0.28 0.00 -0.15 0.00 0.00 55.06 54.86 2gtl s HIS 190 Cb -0.07 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 2gtl s HIS 190 CO 0.77 0.44 0.99 -0.51 -0.85 0.00 0.00 174.74 175.58 2gtl s LEU 191 N -1.82 4.16 0.37 0.89 2.01 -1.26 -4.81 118.68 118.22 2gtl s LEU 191 Ca 0.21 1.39 -0.27 0.00 0.01 0.00 0.00 54.13 55.46 2gtl s LEU 191 Cb -0.11 -3.49 -0.11 0.00 0.01 0.00 0.00 46.19 42.49 2gtl s LEU 191 CO 0.12 -0.54 1.35 0.00 1.01 0.00 0.00 176.35 178.29 2gtl n ALA 192 N 5.68 1.64 -2.90 4.21 0.00 -0.75 -4.57 120.51 123.82 2gtl n ALA 192 Ca 0.09 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 2gtl n ALA 192 Cb 0.47 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2gtl n ALA 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gtl s VAL 193 N -1.12 5.26 -0.07 0.00 0.11 -0.51 0.06 120.40 124.12 2gtl s VAL 193 Ca 0.56 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2gtl s VAL 193 Cb -0.53 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2gtl s VAL 193 CO 0.62 0.14 0.14 -0.69 -3.33 0.00 0.00 175.10 171.98 2gtl s VAL 194 N -1.48 -0.21 0.05 2.04 1.01 -0.15 -1.27 120.40 120.39 2gtl s VAL 194 Ca 0.34 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.74 2gtl s VAL 194 Cb -0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2gtl s VAL 194 CO 0.27 0.14 -0.24 0.00 0.00 0.00 0.00 175.10 175.27 2gtl s SER 196 N -1.23 2.92 -0.69 0.00 0.01 0.61 0.82 113.70 116.15 2gtl s SER 196 Ca 0.10 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 2gtl s SER 196 Cb -0.09 -0.97 0.30 0.00 0.21 0.00 0.00 66.02 65.47 2gtl s SER 196 CO 0.02 0.20 2.19 0.49 0.41 0.00 0.00 173.24 176.55 2gtl n PHE 197 N 3.16 2.63 -2.92 2.43 3.01 -0.04 0.12 117.46 125.84 2gtl n PHE 197 Ca -0.18 -2.36 -0.44 0.00 1.01 0.00 0.00 57.45 55.48 2gtl n PHE 197 Cb 0.52 -1.27 -0.03 0.00 -0.01 0.00 0.00 39.48 38.69 2gtl n PHE 197 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2gtl s ASN 198 N -0.83 6.39 0.00 4.37 4.22 -1.26 -4.31 114.94 123.51 2gtl s ASN 198 Ca 0.55 -1.54 0.00 0.00 -2.14 0.00 0.00 52.86 49.73 2gtl s ASN 198 Cb 0.43 -2.40 0.00 0.00 1.28 0.00 0.00 41.25 40.56 2gtl s ASN 198 CO -0.26 -1.23 0.00 -1.14 -2.04 0.00 0.00 177.10 172.43 2gtl n ARG 199 N 7.00 0.00 -0.33 3.55 3.00 -1.26 -4.80 116.66 123.82 2gtl n ARG 199 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2gtl n ARG 199 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2gtl n ARG 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2gtl n GLY 200 N 0.00 0.87 3.10 5.14 0.00 -1.26 -3.99 105.19 109.05 2gtl n GLY 200 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2gtl n GLY 200 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gtl n ASP 201 N 0.00 -0.98 -0.88 1.61 5.68 -1.26 -4.83 116.55 115.88 2gtl n ASP 201 Ca 0.00 -2.92 0.09 0.00 -0.50 0.00 0.00 54.79 51.46 2gtl n ASP 201 Cb 0.00 2.00 0.16 0.00 -1.14 0.00 0.00 41.12 42.14 2gtl n ASP 201 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2gtl n ASN 202 N -1.71 3.00 0.02 -1.12 4.13 -1.26 -4.48 115.26 113.84 2gtl n ASN 202 Ca 0.04 -1.87 -0.22 0.00 1.68 0.00 0.00 54.58 54.20 2gtl n ASN 202 Cb 0.56 -0.18 -0.14 0.00 -1.54 0.00 0.00 39.78 38.48 2gtl n ASN 202 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2gtl h GLU 203 N 3.45 0.30 -6.51 3.52 3.07 -1.96 -3.46 114.58 112.99 2gtl h GLU 203 Ca 0.00 -0.51 -0.66 0.00 -0.50 0.00 0.00 59.36 57.69 2gtl h GLU 203 Cb 0.82 0.19 -0.15 0.00 -0.84 0.00 0.00 28.75 28.76 2gtl h GLU 203 CO 0.00 1.24 -0.73 1.03 -1.40 0.00 0.00 179.01 179.15 2gtl s ARG 204 N -2.55 2.20 0.05 2.33 0.52 -1.26 -0.70 118.95 119.53 2gtl s ARG 204 Ca -0.20 -0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 53.92 2gtl s ARG 204 Cb 0.06 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2gtl s ARG 204 CO 0.79 0.52 0.20 0.00 0.02 0.00 0.00 175.30 176.83 2gtl s ALA 205 N -1.21 -0.37 -0.25 2.13 0.00 -0.92 -4.52 121.76 116.63 2gtl s ALA 205 Ca 0.21 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 2gtl s ALA 205 Cb -0.11 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2gtl s ALA 205 CO 0.14 -0.39 0.08 -2.00 0.00 0.00 0.00 175.76 173.59 2gtl s GLU 206 N -2.75 3.68 0.40 0.00 2.12 0.12 -1.82 118.70 120.45 2gtl s GLU 206 Ca -0.04 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 54.90 2gtl s GLU 206 Cb -0.00 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 2gtl s GLU 206 CO -0.05 -0.17 0.00 0.00 -0.54 0.00 0.00 175.26 174.50 2gtl s HIS 208 N -2.74 -0.43 -0.05 0.00 3.76 0.07 -0.77 115.29 115.14 2gtl s HIS 208 Ca 0.35 0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 56.04 2gtl s HIS 208 Cb 0.09 0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.92 2gtl s HIS 208 CO 0.18 -0.35 0.39 1.03 -0.85 0.00 0.00 174.74 175.14 2gtl s ARG 209 N -0.46 4.01 0.20 1.40 1.81 -0.72 -0.98 118.95 124.21 2gtl s ARG 209 Ca -0.06 0.34 -0.08 0.00 -1.72 0.00 0.00 55.73 54.21 2gtl s ARG 209 Cb -0.03 -3.28 -0.02 0.00 -0.45 0.00 0.00 34.95 31.17 2gtl s ARG 209 CO 0.03 0.54 0.30 0.14 -0.68 0.00 0.00 175.30 175.64 2gtl s VAL 210 N -0.57 0.03 -0.13 3.52 -7.23 0.11 -0.56 120.40 115.58 2gtl s VAL 210 Ca 0.23 -1.55 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 2gtl s VAL 210 Cb -0.16 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2gtl s VAL 210 CO 0.11 -0.15 0.74 0.42 -0.31 0.00 0.00 175.10 175.91 2gtl s THR 211 N -4.03 4.98 0.55 5.32 -4.23 -1.15 -1.82 115.64 115.26 2gtl s THR 211 Ca 0.24 1.47 0.31 0.00 -1.18 0.00 0.00 61.69 62.52 2gtl s THR 211 Cb 0.03 -4.06 0.46 0.00 1.34 0.00 0.00 72.50 70.27 2gtl s THR 211 CO 0.06 0.15 1.88 -0.08 -0.54 0.00 0.00 174.62 176.08 2gtl h GLU 212 N 7.10 0.00 0.00 3.99 4.81 -1.93 0.36 114.58 128.91 2gtl h GLU 212 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2gtl h GLU 212 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2gtl h GLU 212 CO 0.79 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 2gtl n ALA 213 N -2.62 -0.10 0.21 2.92 0.00 -1.26 -4.39 120.51 115.27 2gtl n ALA 213 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2gtl n ALA 213 Cb 0.90 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.58 2gtl n ALA 213 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2gtl h THR 214 N 0.00 0.20 -0.44 0.00 1.35 -1.98 -3.46 112.91 108.57 2gtl h THR 214 Ca 0.00 -1.17 -0.19 0.00 -0.55 0.00 0.00 66.41 64.50 2gtl h THR 214 Cb 0.00 2.00 -0.08 0.00 -1.73 0.00 0.00 68.15 68.35 2gtl h THR 214 CO 0.00 0.11 -0.17 -0.11 -0.25 0.00 0.00 175.52 175.09 2gtl n LEU 215 N -3.14 -0.60 -4.76 3.87 7.94 0.13 -4.94 117.00 115.50 2gtl n LEU 215 Ca 0.03 0.23 -0.41 0.00 -1.11 0.00 0.00 56.01 54.75 2gtl n LEU 215 Cb 0.53 -1.72 -0.02 0.00 0.53 0.00 0.00 43.42 42.75 2gtl n LEU 215 CO 0.34 -0.57 1.15 -2.28 -1.11 0.00 0.00 177.39 174.92 2gtl s HIS 216 N -2.26 2.84 -0.48 1.96 5.65 -1.26 -4.72 115.29 117.02 2gtl s HIS 216 Ca 0.00 1.01 -0.26 0.00 0.25 0.00 0.00 55.06 56.06 2gtl s HIS 216 Cb 0.00 -3.93 0.03 0.00 -1.18 0.00 0.00 32.58 27.50 2gtl s HIS 216 CO 0.00 -2.97 0.99 -0.65 -0.65 0.00 0.00 174.74 171.46 2gtl s GLN 217 N -0.91 3.55 0.08 2.88 -0.21 -1.26 -2.95 119.66 120.85 2gtl s GLN 217 Ca 0.58 0.22 0.14 0.00 0.02 0.00 0.00 55.36 56.31 2gtl s GLN 217 Cb -0.45 -3.94 -0.14 0.00 1.00 0.00 0.00 33.01 29.49 2gtl s GLN 217 CO 0.50 -1.30 0.98 0.00 -2.12 0.00 0.00 175.29 173.34 2gtl s ALA 219 N -2.81 -1.65 -0.16 0.00 0.00 -1.19 -0.69 121.76 115.26 2gtl s ALA 219 Ca -0.01 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 2gtl s ALA 219 Cb 0.09 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 2gtl s ALA 219 CO 0.80 -0.58 0.13 -0.51 0.00 0.00 0.00 175.76 175.60 2gtl s ASP 220 N -2.04 6.27 -0.16 0.00 1.11 -0.75 -1.76 116.67 119.34 2gtl s ASP 220 Ca -0.04 0.33 -0.04 0.00 0.18 0.00 0.00 52.55 52.98 2gtl s ASP 220 Cb -0.01 -2.07 0.07 0.00 1.07 0.00 0.00 42.92 41.99 2gtl s ASP 220 CO -0.03 0.28 0.19 -0.22 1.18 0.00 0.00 175.17 176.58 2gtl s LEU 221 N -0.27 -0.05 -0.39 1.23 0.20 0.05 -1.45 118.68 118.01 2gtl s LEU 221 Ca 0.11 -0.05 -0.12 0.00 0.69 0.00 0.00 54.13 54.76 2gtl s LEU 221 Cb -0.11 0.28 0.04 0.00 -0.43 0.00 0.00 46.19 45.97 2gtl s LEU 221 CO 0.01 -0.30 0.24 -0.36 -0.29 0.00 0.00 176.35 175.65 2gtl s PHE 222 N 2.30 3.26 0.31 5.38 0.40 -1.24 0.11 117.98 128.49 2gtl s PHE 222 Ca 0.05 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 2gtl s PHE 222 Cb -0.14 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 2gtl s PHE 222 CO -0.09 -0.68 0.46 0.14 0.70 0.00 0.00 175.22 175.75 2gtl s VAL 223 N 1.56 4.91 -0.01 -0.44 -7.23 -0.76 -4.14 120.40 114.30 2gtl s VAL 223 Ca 0.03 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2gtl s VAL 223 Cb -0.20 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2gtl s VAL 223 CO 0.07 -0.37 0.03 -0.89 -0.31 0.00 0.00 175.10 173.62 2gtl s THR 224 N -2.17 -0.00 0.03 5.32 2.01 -0.21 -2.15 115.64 118.47 2gtl s THR 224 Ca 0.39 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2gtl s THR 224 Cb -0.09 -0.05 -0.06 0.00 0.01 0.00 0.00 72.50 72.30 2gtl s THR 224 CO 0.32 0.00 1.41 -0.22 -0.69 0.00 0.00 174.62 175.45 2gtl s LEU 225 N 0.05 4.33 0.23 4.42 2.96 0.13 -2.26 118.68 128.54 2gtl s LEU 225 Ca -0.00 2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 55.80 2gtl s LEU 225 Cb -0.01 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 2gtl s LEU 225 CO -0.00 -0.71 1.24 -1.61 -1.32 0.00 0.00 176.35 173.95 2gtl s GLU 226 N 2.11 4.45 0.39 1.98 2.02 -0.33 -4.99 118.70 124.34 2gtl s GLU 226 Ca 0.65 1.99 -0.26 0.00 0.02 0.00 0.00 54.97 57.37 2gtl s GLU 226 Cb -0.33 -3.19 -0.09 0.00 0.10 0.00 0.00 34.13 30.62 2gtl s GLU 226 CO 0.28 -0.12 1.18 -2.00 0.02 0.00 0.00 175.26 174.61 2gtl s GLU 227 N -0.60 4.09 -0.92 1.61 2.12 -1.26 -4.83 118.70 118.92 2gtl s GLU 227 Ca 0.52 1.86 -0.01 0.00 0.36 0.00 0.00 54.97 57.71 2gtl s GLU 227 Cb -0.35 -2.72 0.33 0.00 0.26 0.00 0.00 34.13 31.66 2gtl s GLU 227 CO 0.40 -0.30 1.79 -2.39 -0.54 0.00 0.00 175.26 174.22 2gtl n HIS 228 N 0.15 2.97 -1.73 5.30 -0.00 -1.26 -5.17 115.22 115.48 2gtl n HIS 228 Ca 0.04 -2.63 0.00 0.00 -0.00 0.00 0.00 57.72 55.13 2gtl n HIS 228 Cb 0.46 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.36 2gtl n HIS 228 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94