#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4a h GLN 2 N 0.00 0.49 -0.58 3.49 1.08 -1.96 -3.21 115.11 114.42 2g4a h GLN 2 Ca 0.00 -0.53 0.08 0.00 -1.45 0.00 0.00 58.65 56.75 2g4a h GLN 2 Cb 0.00 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2g4a h GLN 2 CO 0.00 1.16 0.39 -0.07 -0.95 0.00 0.00 178.83 179.36 2g4a h LEU 3 N 0.28 0.42 -0.44 1.46 3.38 -1.95 -2.02 115.31 116.43 2g4a h LEU 3 Ca -0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2g4a h LEU 3 Cb 1.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2g4a h LEU 3 CO 0.17 0.26 0.29 0.50 0.09 0.00 0.00 178.44 179.75 2g4a h LYS 4 N 0.47 0.57 -0.50 1.13 1.63 -2.00 -1.94 116.57 115.93 2g4a h LYS 4 Ca 0.26 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2g4a h LYS 4 Cb 0.42 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2g4a h LYS 4 CO -0.07 0.37 0.33 0.45 -3.45 0.00 0.00 179.45 177.08 2g4a h HIS 5 N 0.58 0.63 -1.01 1.91 3.86 -1.49 -2.29 115.15 117.35 2g4a h HIS 5 Ca 0.16 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 2g4a h HIS 5 Cb -0.05 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.14 2g4a h HIS 5 CO -0.05 0.40 0.65 0.00 0.86 0.00 0.00 177.93 179.80 2g4a h ASN 7 N 1.21 0.76 -0.50 0.00 -0.26 -0.82 -2.10 115.58 113.86 2g4a h ASN 7 Ca 0.43 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.95 2g4a h ASN 7 Cb 0.12 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2g4a h ASN 7 CO -0.16 0.71 -0.07 0.58 -1.06 0.00 0.00 177.43 177.43 2g4a h VAL 8 N 0.80 1.27 -0.25 2.81 2.07 -0.76 -1.72 116.25 120.48 2g4a h VAL 8 Ca 0.19 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2g4a h VAL 8 Cb 0.22 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2g4a h VAL 8 CO -0.01 0.42 0.11 0.40 0.02 0.00 0.00 177.57 178.50 2g4a h ILE 9 N 0.79 1.16 -0.59 4.57 2.04 -1.05 -2.70 117.51 121.73 2g4a h ILE 9 Ca 0.13 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2g4a h ILE 9 Cb 0.62 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2g4a h ILE 9 CO 0.04 0.16 0.21 0.25 0.00 0.00 0.00 178.15 178.81 2g4a h LEU 10 N 0.25 0.80 -1.12 1.44 6.46 -1.35 -2.52 115.31 119.28 2g4a h LEU 10 Ca 0.08 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2g4a h LEU 10 Cb 0.15 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.82 2g4a h LEU 10 CO -0.01 0.74 0.60 0.11 -0.62 0.00 0.00 178.44 179.26 2g4a h LYS 11 N 0.86 1.09 -0.63 1.25 1.57 -1.04 -0.94 116.57 118.72 2g4a h LYS 11 Ca 0.20 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2g4a h LYS 11 Cb 0.21 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2g4a h LYS 11 CO -0.01 0.72 0.11 1.49 -0.57 0.00 0.00 179.45 181.19 2g4a h GLU 12 N 1.12 1.04 -0.47 3.15 4.57 -1.14 0.41 114.58 123.27 2g4a h GLU 12 Ca 0.37 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 2g4a h GLU 12 Cb 0.05 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2g4a h GLU 12 CO -0.12 0.96 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.54 2g4a h LEU 13 N 0.96 0.81 0.00 1.64 3.38 -1.21 -2.95 115.31 117.94 2g4a h LEU 13 Ca 0.19 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2g4a h LEU 13 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2g4a h LEU 13 CO 0.01 0.91 -0.75 -0.07 0.09 0.00 0.00 178.44 178.63 2g4a h LEU 14 N 0.76 0.00 0.00 1.67 3.38 -0.97 -2.83 115.31 117.31 2g4a h LEU 14 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2g4a h LEU 14 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2g4a h LEU 14 CO 0.03 0.52 0.00 -0.24 0.09 0.00 0.00 178.44 178.84 2g4a n SER 15 N -3.13 0.00 0.00 -0.43 2.88 0.14 -4.91 113.62 108.17 2g4a n SER 15 Ca -0.01 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2g4a n SER 15 Cb 0.76 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2g4a n SER 15 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2g4a n LYS 16 N -1.78 0.00 -0.13 -1.46 2.85 -1.23 -4.92 118.16 111.49 2g4a n LYS 16 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 2g4a n LYS 16 Cb 0.00 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.40 2g4a n LYS 16 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2g4a h LYS 17 N 0.00 -0.04 -0.51 -1.58 1.57 -1.89 -1.75 116.57 112.37 2g4a h LYS 17 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2g4a h LYS 17 Cb 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.20 2g4a h LYS 17 CO 0.00 -0.03 0.12 0.72 -0.57 0.00 0.00 179.45 179.69 2g4a n HIS 18 N -5.35 1.63 0.09 -1.35 8.25 -1.16 -4.55 115.22 112.78 2g4a n HIS 18 Ca 0.03 -1.41 -0.06 0.00 -0.26 0.00 0.00 57.72 56.02 2g4a n HIS 18 Cb 0.26 -0.56 0.03 0.00 1.12 0.00 0.00 29.99 30.83 2g4a n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2g4a h ALA 19 N 1.47 0.64 -1.03 -1.41 0.00 -1.05 -2.96 119.26 114.92 2g4a h ALA 19 Ca 0.25 -0.70 0.27 0.00 0.00 0.00 0.00 54.91 54.73 2g4a h ALA 19 Cb 1.94 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 2g4a h ALA 19 CO 0.53 0.93 0.69 0.00 0.00 0.00 0.00 179.25 181.40 2g4a h ALA 20 N 1.11 2.49 0.00 0.00 0.00 -1.80 0.19 119.26 121.24 2g4a h ALA 20 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g4a h ALA 20 Cb 1.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2g4a h ALA 20 CO 0.12 -0.84 -1.48 0.66 0.00 0.00 0.00 179.25 177.71 2g4a n TYR 21 N -4.47 0.00 0.05 0.00 4.02 -1.22 -4.32 117.16 111.22 2g4a n TYR 21 Ca 0.23 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.92 2g4a n TYR 21 Cb 0.93 -0.24 -0.13 0.00 -0.02 0.00 0.00 39.34 39.88 2g4a n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g4a h ALA 22 N 2.50 -0.01 -0.34 -0.72 0.00 -0.52 -3.23 119.26 116.95 2g4a h ALA 22 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 2g4a h ALA 22 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2g4a h ALA 22 CO 0.00 0.49 -0.31 0.11 0.00 0.00 0.00 179.25 179.53 2g4a h TRP 23 N -0.03 0.85 -0.48 0.00 5.08 -1.40 -0.32 115.95 119.64 2g4a h TRP 23 Ca -0.14 -0.22 -0.10 0.00 1.08 0.00 0.00 58.89 59.51 2g4a h TRP 23 Cb 1.64 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 27.59 2g4a h TRP 23 CO 0.15 0.95 -0.09 -1.00 -1.28 0.00 0.00 178.44 177.18 2g4a h PRO 24 N 0.62 0.87 -0.03 0.12 0.13 -1.75 -2.78 132.00 129.18 2g4a h PRO 24 Ca 0.07 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2g4a h PRO 24 Cb 0.84 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2g4a h PRO 24 CO 0.07 0.92 0.00 1.19 -0.23 0.00 0.00 178.00 179.96 2g4a n PHE 25 N -4.16 0.02 0.22 1.56 3.72 -1.21 -4.39 117.46 113.21 2g4a n PHE 25 Ca 0.02 -0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2g4a n PHE 25 Cb 0.37 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.86 2g4a n PHE 25 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2g4a h TYR 26 N 3.09 -0.57 -3.40 1.38 5.03 -0.75 -2.40 116.97 119.35 2g4a h TYR 26 Ca 0.00 -0.01 -0.59 0.00 2.58 0.00 0.00 58.73 60.71 2g4a h TYR 26 Cb 0.66 0.19 -0.09 0.00 1.55 0.00 0.00 36.73 39.04 2g4a h TYR 26 CO 0.01 -0.35 -0.04 0.21 -1.32 0.00 0.00 178.16 176.66 2g4a s LYS 27 N -3.57 4.27 0.35 1.82 2.20 -1.25 -2.51 119.74 121.06 2g4a s LYS 27 Ca -0.09 0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.96 2g4a s LYS 27 Cb 0.01 -3.51 0.08 0.00 -1.51 0.00 0.00 37.83 32.90 2g4a s LYS 27 CO 0.27 -0.03 0.40 -0.35 -0.36 0.00 0.00 175.35 175.28 2g4a n PRO 28 N 4.33 -0.97 -3.22 4.03 -0.04 -1.26 -4.99 135.00 132.89 2g4a n PRO 28 Ca -0.05 -0.63 -0.46 0.00 -0.04 0.00 0.00 63.50 62.33 2g4a n PRO 28 Cb 0.51 -0.48 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 2g4a n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g4a s VAL 29 N -1.82 5.26 -1.17 0.52 1.01 -1.26 -4.98 120.40 117.96 2g4a s VAL 29 Ca 0.24 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 2g4a s VAL 29 Cb -0.01 -4.50 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 2g4a s VAL 29 CO 0.17 -1.10 1.95 -1.81 0.00 0.00 0.00 175.10 174.31 2g4a s ASP 30 N 2.91 4.93 0.44 3.32 1.01 -1.26 -4.75 116.67 123.27 2g4a s ASP 30 Ca 0.17 -1.60 0.14 0.00 0.71 0.00 0.00 52.55 51.98 2g4a s ASP 30 Cb -0.15 -2.59 1.05 0.00 1.01 0.00 0.00 42.92 42.24 2g4a s ASP 30 CO -0.04 -3.18 1.98 0.00 0.21 0.00 0.00 175.17 174.13 2g4a h ALA 31 N 9.88 2.04 -0.70 5.23 0.00 -1.94 0.56 119.26 134.34 2g4a h ALA 31 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2g4a h ALA 31 Cb 0.94 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2g4a h ALA 31 CO 1.21 -0.18 0.24 1.03 0.00 0.00 0.00 179.25 181.55 2g4a h SER 32 N 0.38 0.98 0.07 0.00 0.87 -1.90 0.64 113.55 114.60 2g4a h SER 32 Ca 0.28 -0.17 -0.26 0.00 -1.23 0.00 0.00 61.79 60.41 2g4a h SER 32 Cb 0.58 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2g4a h SER 32 CO -0.07 0.90 -1.40 0.00 -0.53 0.00 0.00 176.83 175.73 2g4a h ALA 33 N 1.23 0.26 0.01 6.23 0.00 -1.64 -3.42 119.26 121.92 2g4a h ALA 33 Ca 0.23 -1.17 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 2g4a h ALA 33 Cb 0.26 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2g4a h ALA 33 CO -0.01 0.83 -0.00 -0.07 0.00 0.00 0.00 179.25 180.00 2g4a h LEU 34 N -0.54 -0.01 0.00 0.00 3.38 0.02 -3.50 115.31 114.66 2g4a h LEU 34 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2g4a h LEU 34 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2g4a h LEU 34 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2g4a n GLY 35 N 0.92 -0.11 2.45 0.83 0.00 0.20 -5.03 105.19 104.45 2g4a n GLY 35 Ca -0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2g4a n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g4a n LEU 36 N 0.00 1.96 -0.06 0.99 7.99 -1.12 -4.96 117.00 121.80 2g4a n LEU 36 Ca 0.00 -5.02 -0.10 0.00 -0.01 0.00 0.00 56.01 50.88 2g4a n LEU 36 Cb 0.00 -0.14 -0.03 0.00 -0.11 0.00 0.00 43.42 43.14 2g4a n LEU 36 CO 0.00 1.97 0.91 -0.74 -1.51 0.00 0.00 177.39 178.02 2g4a h HIS 37 N 4.60 0.33 -0.85 -1.77 2.76 -2.00 -2.81 115.15 115.41 2g4a h HIS 37 Ca 0.16 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2g4a h HIS 37 Cb 0.78 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 2g4a h HIS 37 CO 0.55 0.30 0.56 0.38 -1.30 0.00 0.00 177.93 178.42 2g4a h ASP 38 N 0.26 0.90 -0.94 3.26 2.03 -1.99 -1.86 116.42 118.08 2g4a h ASP 38 Ca 0.08 -0.01 0.17 0.00 -0.73 0.00 0.00 57.03 56.55 2g4a h ASP 38 Cb 0.09 -0.21 -0.08 0.00 -0.83 0.00 0.00 39.33 38.30 2g4a h ASP 38 CO -0.01 0.61 0.60 0.22 -1.03 0.00 0.00 179.24 179.63 2g4a h TYR 39 N 1.04 0.84 0.03 4.15 5.03 -1.91 0.36 116.97 126.50 2g4a h TYR 39 Ca 0.34 0.03 -0.23 0.00 2.58 0.00 0.00 58.73 61.45 2g4a h TYR 39 Cb 0.06 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.08 2g4a h TYR 39 CO -0.00 0.25 -0.98 1.25 -1.32 0.00 0.00 178.16 177.36 2g4a h HIS 40 N 0.66 0.49 -0.16 -3.82 2.76 -1.34 -2.83 115.15 110.90 2g4a h HIS 40 Ca 0.50 -0.28 -0.18 0.00 -2.20 0.00 0.00 60.37 58.20 2g4a h HIS 40 Cb 0.88 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.80 2g4a h HIS 40 CO -0.00 1.12 -0.60 -0.44 -1.30 0.00 0.00 177.93 176.71 2g4a h ASP 41 N 0.16 0.80 0.43 3.26 3.32 -0.73 0.04 116.42 123.70 2g4a h ASP 41 Ca -0.08 -0.61 -0.02 0.00 0.02 0.00 0.00 57.03 56.34 2g4a h ASP 41 Cb 1.63 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2g4a h ASP 41 CO 0.16 1.28 -0.21 0.40 -1.72 0.00 0.00 179.24 179.15 2g4a h ILE 42 N 0.37 0.50 0.31 0.35 2.04 -0.47 -3.34 117.51 117.27 2g4a h ILE 42 Ca -0.03 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2g4a h ILE 42 Cb 1.23 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2g4a h ILE 42 CO 0.13 0.07 -0.15 0.40 0.00 0.00 0.00 178.15 178.60 2g4a h ILE 43 N -0.87 0.58 0.00 -0.67 1.08 -1.62 -3.47 117.51 112.54 2g4a h ILE 43 Ca -0.06 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2g4a h ILE 43 Cb 0.56 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2g4a h ILE 43 CO 0.10 0.12 0.00 1.17 -0.69 0.00 0.00 178.15 178.85 2g4a n LYS 44 N -5.09 0.00 -3.20 2.37 3.00 0.00 -4.75 118.16 110.49 2g4a n LYS 44 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.99 2g4a n LYS 44 Cb 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 35.03 34.84 2g4a n LYS 44 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2g4a n HIS 45 N -0.49 0.41 -1.98 5.64 -0.00 -1.26 -5.04 115.22 112.51 2g4a n HIS 45 Ca 0.00 -3.71 -0.42 0.00 0.46 0.00 0.00 57.72 54.05 2g4a n HIS 45 Cb 0.00 -0.40 -0.03 0.00 -0.12 0.00 0.00 29.99 29.45 2g4a n HIS 45 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2g4a s PRO 46 N -1.73 4.08 0.04 1.57 0.04 -1.26 -5.01 135.00 132.73 2g4a s PRO 46 Ca 0.37 2.14 0.08 0.00 0.04 0.00 0.00 61.00 63.63 2g4a s PRO 46 Cb 0.22 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2g4a s PRO 46 CO -0.09 -0.97 -0.21 -1.64 0.04 0.00 0.00 177.00 174.13 2g4a s MET 47 N 4.25 1.98 0.13 4.56 -1.94 -1.26 -5.11 119.30 121.92 2g4a s MET 47 Ca 0.75 -1.02 -0.07 0.00 -1.71 0.00 0.00 55.69 53.64 2g4a s MET 47 Cb -0.33 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.39 2g4a s MET 47 CO 0.31 0.53 0.21 0.16 -0.01 0.00 0.00 175.02 176.22 2g4a s ASP 48 N -1.31 0.13 0.40 3.03 -4.77 -1.26 -4.92 116.67 107.96 2g4a s ASP 48 Ca 0.13 -0.88 0.08 0.00 -3.30 0.00 0.00 52.55 48.59 2g4a s ASP 48 Cb -0.10 0.38 0.85 0.00 -1.09 0.00 0.00 42.92 42.96 2g4a s ASP 48 CO 0.04 -0.81 2.01 0.25 0.70 0.00 0.00 175.17 177.35 2g4a h LEU 49 N 2.68 0.52 -0.97 2.11 6.46 -1.54 -1.86 115.31 122.71 2g4a h LEU 49 Ca -0.33 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.46 2g4a h LEU 49 Cb 1.21 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.97 2g4a h LEU 49 CO 0.53 0.35 0.63 0.28 -0.62 0.00 0.00 178.44 179.61 2g4a h SER 50 N 0.60 1.07 -0.18 1.25 0.02 -1.72 0.51 113.55 115.10 2g4a h SER 50 Ca 0.24 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.99 2g4a h SER 50 Cb 0.19 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.48 2g4a h SER 50 CO -0.07 0.74 -0.61 0.74 -1.14 0.00 0.00 176.83 176.49 2g4a h THR 51 N 1.24 1.30 -0.23 -2.27 2.02 -1.67 -3.16 112.91 110.15 2g4a h THR 51 Ca 0.38 -1.83 -0.11 0.00 0.77 0.00 0.00 66.41 65.61 2g4a h THR 51 Cb -0.03 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2g4a h THR 51 CO -0.11 0.58 -0.33 0.58 0.37 0.00 0.00 175.52 176.60 2g4a h VAL 52 N 0.44 1.29 -0.75 3.16 2.07 -0.98 -3.05 116.25 118.41 2g4a h VAL 52 Ca -0.03 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.12 2g4a h VAL 52 Cb 1.23 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 2g4a h VAL 52 CO 0.13 0.45 0.46 0.50 0.02 0.00 0.00 177.57 179.13 2g4a h LYS 53 N 0.42 0.86 -0.69 1.57 3.11 0.02 -1.41 116.57 120.44 2g4a h LYS 53 Ca 0.05 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 2g4a h LYS 53 Cb 0.78 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 2g4a h LYS 53 CO 0.06 0.57 0.22 0.00 -2.81 0.00 0.00 179.45 177.49 2g4a h ARG 54 N 0.88 1.06 -0.29 1.90 3.08 -1.50 -1.38 114.38 118.13 2g4a h ARG 54 Ca 0.31 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2g4a h ARG 54 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2g4a h ARG 54 CO -0.14 0.90 0.09 0.87 -1.07 0.00 0.00 179.97 180.62 2g4a h LYS 55 N 1.02 0.45 -0.51 0.04 1.57 -1.30 0.92 116.57 118.76 2g4a h LYS 55 Ca 0.23 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2g4a h LYS 55 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2g4a h LYS 55 CO -0.01 0.51 -0.01 0.00 -0.57 0.00 0.00 179.45 179.37 2g4a h MET 56 N 0.30 0.86 0.00 3.15 -0.00 -1.15 0.62 114.93 118.72 2g4a h MET 56 Ca 0.09 -0.24 -0.06 0.00 -0.00 0.00 0.00 59.70 59.48 2g4a h MET 56 Cb 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 2g4a h MET 56 CO -0.00 0.86 -0.31 0.93 -0.00 0.00 0.00 176.91 178.39 2g4a h GLU 57 N 0.80 0.00 -0.01 -0.10 4.39 -1.07 -2.72 114.58 115.86 2g4a h GLU 57 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2g4a h GLU 57 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2g4a h GLU 57 CO 0.02 0.31 -0.26 0.09 -1.16 0.00 0.00 179.01 178.01 2g4a n ASN 58 N -3.47 1.68 -1.49 1.42 5.03 0.30 -4.95 115.26 113.78 2g4a n ASN 58 Ca -0.00 -1.33 -0.11 0.00 0.87 0.00 0.00 54.58 54.00 2g4a n ASN 58 Cb 0.47 0.21 0.01 0.00 -1.02 0.00 0.00 39.78 39.46 2g4a n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2g4a n ARG 59 N -0.06 -1.84 0.11 3.52 0.63 0.03 -4.92 116.66 114.13 2g4a n ARG 59 Ca 0.12 0.49 -0.03 0.00 -0.92 0.00 0.00 57.85 57.52 2g4a n ARG 59 Cb 0.42 -4.51 0.17 0.00 0.45 0.00 0.00 32.46 29.00 2g4a n ARG 59 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2g4a h ASP 60 N -0.42 0.16 -2.98 6.15 1.82 -0.11 -3.39 116.42 117.64 2g4a h ASP 60 Ca -0.27 -0.08 -0.69 0.00 -0.39 0.00 0.00 57.03 55.60 2g4a h ASP 60 Cb 1.19 -0.05 -0.19 0.00 0.68 0.00 0.00 39.33 40.96 2g4a h ASP 60 CO 0.30 0.68 0.12 -0.31 -1.61 0.00 0.00 179.24 178.42 2g4a s TYR 61 N -3.82 2.99 -0.62 0.28 2.02 -1.26 -4.89 117.35 112.05 2g4a s TYR 61 Ca -0.03 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.91 2g4a s TYR 61 Cb 0.13 -3.90 0.35 0.00 -0.40 0.00 0.00 41.96 38.13 2g4a s TYR 61 CO 0.78 -1.24 1.08 2.89 -1.57 0.00 0.00 175.55 177.48 2g4a n ARG 62 N 6.38 2.55 -3.58 -0.62 1.85 -1.26 -4.88 116.66 117.09 2g4a n ARG 62 Ca -0.08 -1.35 -0.05 0.00 -1.00 0.00 0.00 57.85 55.37 2g4a n ARG 62 Cb 0.43 -1.80 -0.02 0.00 -1.05 0.00 0.00 32.46 30.03 2g4a n ARG 62 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2g4a s ASP 63 N -0.29 -0.21 0.10 2.89 1.01 -1.26 -5.03 116.67 113.87 2g4a s ASP 63 Ca 0.24 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.44 2g4a s ASP 63 Cb 0.18 0.27 -0.24 0.00 1.01 0.00 0.00 42.92 44.15 2g4a s ASP 63 CO 0.07 -0.45 1.21 0.00 0.21 0.00 0.00 175.17 176.20 2g4a h ALA 64 N 2.00 0.22 -1.00 5.23 0.00 -1.91 -3.19 119.26 120.61 2g4a h ALA 64 Ca -0.18 -0.88 0.08 0.00 0.00 0.00 0.00 54.91 53.93 2g4a h ALA 64 Cb 1.20 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2g4a h ALA 64 CO 0.27 1.07 0.64 1.96 0.00 0.00 0.00 179.25 183.19 2g4a h GLN 65 N 0.05 1.07 -0.19 0.00 4.20 -1.98 0.44 115.11 118.70 2g4a h GLN 65 Ca -0.08 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 2g4a h GLN 65 Cb 1.86 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.40 2g4a h GLN 65 CO 0.17 0.71 -0.53 0.93 -0.67 0.00 0.00 178.83 179.44 2g4a h GLU 66 N 1.10 0.69 -0.13 1.46 5.08 -1.98 -2.40 114.58 118.39 2g4a h GLU 66 Ca 0.45 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2g4a h GLU 66 Cb 0.28 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2g4a h GLU 66 CO -0.20 1.11 -0.04 0.35 -1.00 0.00 0.00 179.01 179.23 2g4a h PHE 67 N 0.39 0.30 -0.93 4.33 3.57 -1.39 -2.85 116.94 120.36 2g4a h PHE 67 Ca -0.01 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2g4a h PHE 67 Cb 1.15 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 2g4a h PHE 67 CO 0.09 0.57 0.61 0.00 -2.23 0.00 0.00 178.31 177.35 2g4a h ALA 68 N 0.69 1.19 -0.96 2.41 0.00 -0.21 -2.07 119.26 120.30 2g4a h ALA 68 Ca 0.03 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2g4a h ALA 68 Cb 0.48 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2g4a h ALA 68 CO 0.02 0.53 0.63 0.00 0.00 0.00 0.00 179.25 180.43 2g4a h ALA 69 N 1.35 1.37 -0.77 0.00 0.00 -1.39 -1.79 119.26 118.04 2g4a h ALA 69 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2g4a h ALA 69 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 2g4a h ALA 69 CO -0.09 0.53 0.27 0.22 0.00 0.00 0.00 179.25 180.19 2g4a h ASP 70 N 1.22 1.09 -0.30 0.00 3.58 -1.14 -1.90 116.42 118.97 2g4a h ASP 70 Ca 0.38 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2g4a h ASP 70 Cb -0.00 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2g4a h ASP 70 CO -0.11 0.99 0.09 0.58 -2.88 0.00 0.00 179.24 177.90 2g4a h VAL 71 N 1.13 1.20 -0.89 2.25 2.07 -1.04 -1.02 116.25 119.95 2g4a h VAL 71 Ca 0.25 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2g4a h VAL 71 Cb 0.26 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2g4a h VAL 71 CO -0.01 0.22 0.58 -0.09 0.02 0.00 0.00 177.57 178.28 2g4a h ARG 72 N 0.32 1.10 -0.30 1.57 1.12 -1.17 -0.33 114.38 116.68 2g4a h ARG 72 Ca 0.10 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 2g4a h ARG 72 Cb 0.25 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2g4a h ARG 72 CO -0.00 0.73 0.00 1.25 -3.11 0.00 0.00 179.97 178.84 2g4a h LEU 73 N 1.13 0.53 -0.79 3.80 6.46 -1.14 -1.47 115.31 123.82 2g4a h LEU 73 Ca 0.35 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2g4a h LEU 73 Cb -0.02 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.73 2g4a h LEU 73 CO -0.11 0.71 0.44 -0.03 -0.62 0.00 0.00 178.44 178.83 2g4a h MET 74 N 0.33 1.10 -0.35 1.25 4.05 -0.78 -1.34 114.93 119.20 2g4a h MET 74 Ca 0.09 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 2g4a h MET 74 Cb 0.44 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2g4a h MET 74 CO 0.02 0.81 0.02 0.74 0.23 0.00 0.00 176.91 178.72 2g4a h PHE 75 N 1.10 0.65 -0.31 1.39 -1.00 -0.97 -2.87 116.94 114.93 2g4a h PHE 75 Ca 0.28 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 2g4a h PHE 75 Cb 0.02 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 2g4a h PHE 75 CO 0.00 0.69 0.08 1.03 -1.61 0.00 0.00 178.31 178.50 2g4a h SER 76 N 0.42 0.40 -0.71 2.17 0.87 -1.01 -2.37 113.55 113.31 2g4a h SER 76 Ca 0.10 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2g4a h SER 76 Cb 0.42 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 2g4a h SER 76 CO 0.01 0.40 0.43 0.78 -0.53 0.00 0.00 176.83 177.92 2g4a h ASN 77 N 0.44 0.87 -0.55 6.23 4.21 -1.02 -2.10 115.58 123.66 2g4a h ASN 77 Ca 0.11 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 2g4a h ASN 77 Cb 0.16 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 2g4a h ASN 77 CO -0.00 0.67 0.34 0.00 -1.29 0.00 0.00 177.43 177.15 2g4a h TYR 79 N 0.74 0.41 -0.57 0.00 -1.99 -1.46 -2.86 116.97 111.25 2g4a h TYR 79 Ca 0.20 -0.06 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 2g4a h TYR 79 Cb -0.03 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 2g4a h TYR 79 CO -0.03 0.53 0.21 0.87 -0.00 0.00 0.00 178.16 179.74 2g4a h LYS 80 N 0.35 0.86 0.83 4.88 1.57 -0.78 -3.26 116.57 121.02 2g4a h LYS 80 Ca 0.06 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2g4a h LYS 80 Cb 0.49 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2g4a h LYS 80 CO 0.03 0.76 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.35 2g4a h TYR 81 N 0.79 -1.03 -4.24 -1.35 3.20 -1.21 -3.45 116.97 109.68 2g4a h TYR 81 Ca 0.19 -0.02 -0.51 0.00 3.14 0.00 0.00 58.73 61.52 2g4a h TYR 81 Cb 0.24 0.34 -0.29 0.00 1.54 0.00 0.00 36.73 38.56 2g4a h TYR 81 CO 0.01 -0.64 -0.82 -0.80 -1.64 0.00 0.00 178.16 174.27 2g4a s ASN 82 N -4.09 1.87 0.85 -2.11 0.01 -1.10 -5.14 114.94 105.23 2g4a s ASN 82 Ca -0.16 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 51.57 2g4a s ASN 82 Cb 0.02 -0.20 0.11 0.00 0.41 0.00 0.00 41.25 41.59 2g4a s ASN 82 CO 0.49 0.18 1.15 -2.16 -1.51 0.00 0.00 177.10 175.25 2g4a s PRO 83 N -0.47 1.47 -0.30 -0.60 0.04 -1.26 -4.34 135.00 129.54 2g4a s PRO 83 Ca 0.06 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2g4a s PRO 83 Cb -0.06 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2g4a s PRO 83 CO -0.00 -2.29 2.26 -1.25 0.04 0.00 0.00 177.00 175.76 2g4a s PRO 84 N -4.54 2.84 0.00 0.56 0.04 -1.26 -3.85 135.00 128.79 2g4a s PRO 84 Ca 0.67 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2g4a s PRO 84 Cb -0.23 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2g4a s PRO 84 CO 0.55 -2.44 0.00 -3.47 0.04 0.00 0.00 177.00 171.68 2g4a n ASP 85 N 12.88 0.00 -4.55 6.66 2.03 -1.26 -5.08 116.55 127.22 2g4a n ASP 85 Ca 0.32 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.34 2g4a n ASP 85 Cb 0.48 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.10 2g4a n ASP 85 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2g4a s HIS 86 N 0.00 1.61 0.16 -0.67 2.46 -1.25 -4.87 115.29 112.73 2g4a s HIS 86 Ca 0.00 1.10 -0.05 0.00 0.47 0.00 0.00 55.06 56.58 2g4a s HIS 86 Cb 0.00 -3.16 0.02 0.00 -0.13 0.00 0.00 32.58 29.31 2g4a s HIS 86 CO 0.00 -3.55 1.43 0.22 -2.47 0.00 0.00 174.74 170.37 2g4a h ASP 87 N -2.39 0.67 -0.53 9.88 3.58 -1.99 -2.83 116.42 122.80 2g4a h ASP 87 Ca -0.59 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 56.37 2g4a h ASP 87 Cb 1.33 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2g4a h ASP 87 CO 0.53 1.15 0.02 1.62 -2.88 0.00 0.00 179.24 179.69 2g4a h VAL 88 N 0.42 1.26 -0.35 2.25 3.04 -2.00 -2.08 116.25 118.79 2g4a h VAL 88 Ca -0.02 -1.06 -0.06 0.00 -1.01 0.00 0.00 66.70 64.55 2g4a h VAL 88 Cb 1.25 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2g4a h VAL 88 CO 0.13 0.38 -0.02 0.58 -1.01 0.00 0.00 177.57 177.63 2g4a h VAL 89 N 0.80 1.26 -0.56 1.51 2.07 -1.92 -2.87 116.25 116.54 2g4a h VAL 89 Ca 0.15 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2g4a h VAL 89 Cb 0.50 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2g4a h VAL 89 CO 0.02 0.33 0.34 0.00 0.02 0.00 0.00 177.57 178.28 2g4a h ALA 90 N 0.85 1.53 -0.70 1.67 0.00 -1.44 -2.02 119.26 119.15 2g4a h ALA 90 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2g4a h ALA 90 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2g4a h ALA 90 CO 0.02 0.41 0.31 1.98 0.00 0.00 0.00 179.25 181.97 2g4a h MET 91 N 0.78 1.01 -0.62 0.00 4.05 -1.17 -2.68 114.93 116.29 2g4a h MET 91 Ca 0.20 -0.15 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 2g4a h MET 91 Cb -0.03 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 2g4a h MET 91 CO -0.04 0.79 0.01 0.00 0.23 0.00 0.00 176.91 177.91 2g4a h ALA 92 N 1.35 0.83 -1.00 0.39 0.00 -1.17 -2.68 119.26 116.98 2g4a h ALA 92 Ca 0.24 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2g4a h ALA 92 Cb 0.14 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2g4a h ALA 92 CO -0.03 0.67 0.65 -0.09 0.00 0.00 0.00 179.25 180.45 2g4a h ARG 93 N 0.99 1.16 -0.42 0.00 2.43 -1.20 0.11 114.38 117.46 2g4a h ARG 93 Ca 0.18 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 2g4a h ARG 93 Cb 0.55 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2g4a h ARG 93 CO 0.03 0.77 -0.13 0.87 -1.51 0.00 0.00 179.97 180.00 2g4a h LYS 94 N 1.20 0.82 -0.50 0.20 1.57 -1.37 -2.32 116.57 116.17 2g4a h LYS 94 Ca 0.42 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2g4a h LYS 94 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2g4a h LYS 94 CO -0.16 0.95 -0.05 1.25 -0.57 0.00 0.00 179.45 180.88 2g4a h LEU 95 N 0.64 0.85 -0.23 2.94 6.46 -1.05 -2.45 115.31 122.48 2g4a h LEU 95 Ca 0.10 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 2g4a h LEU 95 Cb 0.67 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2g4a h LEU 95 CO 0.05 0.94 0.10 -0.61 -0.62 0.00 0.00 178.44 178.29 2g4a h GLN 96 N 0.80 0.34 -0.80 1.25 4.15 -0.69 0.75 115.11 120.90 2g4a h GLN 96 Ca 0.14 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2g4a h GLN 96 Cb 0.54 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2g4a h GLN 96 CO 0.03 0.38 0.49 -0.44 -1.93 0.00 0.00 178.83 177.36 2g4a h ASP 97 N 0.22 0.96 -0.26 -0.69 5.19 -1.33 -1.78 116.42 118.73 2g4a h ASP 97 Ca 0.08 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.30 2g4a h ASP 97 Cb 0.16 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2g4a h ASP 97 CO -0.01 0.74 -0.34 0.58 -3.12 0.00 0.00 179.24 177.08 2g4a h VAL 98 N 1.10 1.31 -0.52 -1.35 2.07 -1.29 -3.08 116.25 114.48 2g4a h VAL 98 Ca 0.29 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.31 2g4a h VAL 98 Cb -0.05 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2g4a h VAL 98 CO -0.06 0.49 0.34 0.15 0.02 0.00 0.00 177.57 178.51 2g4a h PHE 99 N 0.43 0.57 -0.67 1.57 3.57 -0.61 -2.10 116.94 119.71 2g4a h PHE 99 Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2g4a h PHE 99 Cb 0.93 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 2g4a h PHE 99 CO 0.08 0.34 0.36 1.49 -2.23 0.00 0.00 178.31 178.35 2g4a h GLU 100 N 0.60 0.65 -0.57 1.11 4.57 -1.24 0.33 114.58 120.03 2g4a h GLU 100 Ca 0.21 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2g4a h GLU 100 Cb 0.08 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2g4a h GLU 100 CO -0.05 0.43 0.12 0.35 -1.18 0.00 0.00 179.01 178.68 2g4a h PHE 101 N 0.67 0.93 -0.10 0.92 3.04 -1.44 -2.66 116.94 118.29 2g4a h PHE 101 Ca 0.30 -0.10 -0.17 0.00 3.98 0.00 0.00 57.97 61.98 2g4a h PHE 101 Cb 0.21 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 2g4a h PHE 101 CO -0.08 0.78 -0.67 0.00 -2.02 0.00 0.00 178.31 176.32 2g4a h ARG 102 N 0.85 0.41 0.00 1.11 2.47 -1.10 -3.07 114.38 115.06 2g4a h ARG 102 Ca 0.18 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2g4a h ARG 102 Cb 0.33 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2g4a h ARG 102 CO 0.00 0.94 -0.05 -0.92 0.56 0.00 0.00 179.97 180.50 2g4a h TYR 103 N 0.30 0.00 -0.01 3.04 3.20 -0.03 0.19 116.97 123.66 2g4a h TYR 103 Ca -0.02 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 2g4a h TYR 103 Cb 1.22 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.51 2g4a h TYR 103 CO 0.04 0.05 -0.74 0.00 -1.64 0.00 0.00 178.16 175.87 2g4a h ALA 104 N 1.95 0.10 0.00 1.82 0.00 -1.42 -3.29 119.26 118.43 2g4a h ALA 104 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2g4a h ALA 104 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2g4a h ALA 104 CO 0.01 0.46 -0.38 0.87 0.00 0.00 0.00 179.25 180.21 2g4a h LYS 105 N 0.07 0.00 0.03 0.00 6.56 -1.52 -3.37 116.57 118.33 2g4a h LYS 105 Ca -0.09 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2g4a h LYS 105 Cb 1.43 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 33.04 2g4a h LYS 105 CO 0.15 0.00 -0.30 1.98 -2.06 0.00 0.00 179.45 179.22 2g4a h MET 106 N 0.00 -0.44 0.39 3.15 4.05 -0.69 -3.26 114.93 118.13 2g4a h MET 106 Ca 0.00 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2g4a h MET 106 Cb 0.85 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2g4a h MET 106 CO 0.00 -0.30 -0.19 -1.00 0.23 0.00 0.00 176.91 175.65 2g4a h PRO 107 N -0.46 -0.51 0.00 0.39 0.13 -1.73 -3.48 132.00 126.34 2g4a h PRO 107 Ca 0.05 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2g4a h PRO 107 Cb 0.53 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2g4a h PRO 107 CO -0.23 -0.34 0.00 -0.25 -0.23 0.00 0.00 178.00 176.94