#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 0.45 -0.71 3.44 1.08 -1.93 -3.28 115.11 114.15 2g4a h GLN 2 Ca 0.00 -0.76 -0.06 0.00 -1.45 0.00 0.00 58.65 56.38 2g4a h GLN 2 Cb 0.00 0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 2g4a h GLN 2 CO 0.00 1.36 0.22 -0.07 -0.95 0.00 0.00 178.83 179.39 2g4a h LEU 3 N 0.12 1.04 -1.47 1.46 3.38 -1.97 -2.68 115.31 115.19 2g4a h LEU 3 Ca -0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2g4a h LEU 3 Cb 2.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 2g4a h LEU 3 CO 0.25 0.98 0.19 0.11 0.09 0.00 0.00 178.44 180.06 2g4a h LYS 4 N 1.06 0.55 -0.64 1.13 6.56 -2.01 -2.38 116.57 120.83 2g4a h LYS 4 Ca 0.23 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.77 2g4a h LYS 4 Cb 0.31 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 2g4a h LYS 4 CO -0.01 0.43 0.42 0.45 -2.06 0.00 0.00 179.45 178.68 2g4a h HIS 5 N 0.55 0.79 -0.68 -1.35 3.86 -1.53 -2.34 115.15 114.45 2g4a h HIS 5 Ca 0.14 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2g4a h HIS 5 Cb 0.05 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2g4a h HIS 5 CO 0.00 0.49 0.24 0.00 0.86 0.00 0.00 177.93 179.52 2g4a h ASN 7 N 1.00 0.79 -0.37 0.00 2.35 -1.16 -1.38 115.58 116.82 2g4a h ASN 7 Ca 0.23 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 2g4a h ASN 7 Cb 0.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2g4a h ASN 7 CO -0.01 0.50 -0.31 0.58 -1.65 0.00 0.00 177.43 176.54 2g4a h VAL 8 N 0.89 1.28 -0.72 2.81 2.07 -1.21 -2.73 116.25 118.64 2g4a h VAL 8 Ca 0.36 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 2g4a h VAL 8 Cb 0.26 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2g4a h VAL 8 CO -0.13 0.49 0.33 0.40 0.02 0.00 0.00 177.57 178.68 2g4a h ILE 9 N 0.65 1.23 -0.65 4.57 2.04 -1.10 -2.58 117.51 121.69 2g4a h ILE 9 Ca 0.07 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 2g4a h ILE 9 Cb 0.89 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2g4a h ILE 9 CO 0.08 0.28 0.06 0.25 0.00 0.00 0.00 178.15 178.82 2g4a h LEU 10 N 1.03 1.07 -1.23 1.44 5.85 -1.21 -2.84 115.31 119.42 2g4a h LEU 10 Ca 0.25 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2g4a h LEU 10 Cb 0.12 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2g4a h LEU 10 CO -0.03 1.08 0.32 0.11 -0.34 0.00 0.00 178.44 179.58 2g4a h LYS 11 N 1.02 0.85 -0.33 1.25 1.57 -1.15 -2.07 116.57 117.70 2g4a h LYS 11 Ca 0.19 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2g4a h LYS 11 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2g4a h LYS 11 CO 0.02 0.64 -0.18 1.49 -0.57 0.00 0.00 179.45 180.85 2g4a h GLU 12 N 0.86 0.61 -0.36 3.15 4.57 -1.26 0.22 114.58 122.37 2g4a h GLU 12 Ca 0.22 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 2g4a h GLU 12 Cb 0.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2g4a h GLU 12 CO -0.03 0.76 -0.39 -0.07 -1.18 0.00 0.00 179.01 178.10 2g4a h LEU 13 N 0.55 0.93 0.00 1.64 3.38 -1.22 -3.10 115.31 117.50 2g4a h LEU 13 Ca 0.09 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2g4a h LEU 13 Cb 0.62 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2g4a h LEU 13 CO 0.04 1.20 -0.45 0.18 0.09 0.00 0.00 178.44 179.51 2g4a n LEU 14 N -4.05 0.74 0.00 1.67 4.32 -0.83 -2.20 117.00 116.65 2g4a n LEU 14 Ca -0.02 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2g4a n LEU 14 Cb 0.54 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2g4a n LEU 14 CO 0.48 -0.09 0.35 -0.24 -1.22 0.00 0.00 177.39 176.67 2g4a n SER 15 N -2.17 0.00 0.00 -1.43 2.88 0.77 -4.82 113.62 108.85 2g4a n SER 15 Ca 0.04 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2g4a n SER 15 Cb 0.44 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.29 0.00 -0.34 -1.46 2.85 -1.26 -4.86 118.16 111.80 2g4a n LYS 16 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 2g4a n LYS 16 Cb 0.00 0.00 0.21 0.00 -0.65 0.00 0.00 35.03 34.59 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 0.90 -0.42 -1.58 1.57 -1.89 -1.77 116.57 113.39 2g4a h LYS 17 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2g4a h LYS 17 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.11 2g4a h LYS 17 CO 0.00 0.60 0.00 0.72 -0.57 0.00 0.00 179.45 180.20 2g4a n HIS 18 N -4.66 0.55 0.15 -1.35 8.25 -1.24 -4.50 115.22 112.42 2g4a n HIS 18 Ca 0.17 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2g4a n HIS 18 Cb 0.31 -0.02 0.28 0.00 1.12 0.00 0.00 29.99 31.69 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 2.80 1.23 -0.95 -1.41 0.00 -0.82 -2.56 119.26 117.55 2g4a h ALA 19 Ca 0.00 -0.40 0.18 0.00 0.00 0.00 0.00 54.91 54.69 2g4a h ALA 19 Cb 0.79 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2g4a h ALA 19 CO 0.00 0.56 0.55 0.00 0.00 0.00 0.00 179.25 180.35 2g4a h ALA 20 N 1.51 1.54 -0.02 0.00 0.00 -1.79 0.10 119.26 120.60 2g4a h ALA 20 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2g4a h ALA 20 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2g4a h ALA 20 CO 0.06 -0.08 -0.23 0.66 0.00 0.00 0.00 179.25 179.66 2g4a n TYR 21 N -4.82 0.00 -0.06 0.00 4.01 -1.17 -4.42 117.16 110.70 2g4a n TYR 21 Ca 0.22 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.77 2g4a n TYR 21 Cb 0.54 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.44 2g4a n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g4a h ALA 22 N 4.27 0.11 -0.51 -0.72 0.00 -0.42 -3.25 119.26 118.75 2g4a h ALA 22 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 54.06 2g4a h ALA 22 Cb 0.84 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2g4a h ALA 22 CO 0.00 0.42 0.34 0.11 0.00 0.00 0.00 179.25 180.11 2g4a h TRP 23 N -0.82 0.62 -0.10 0.00 5.08 -1.49 0.14 115.95 119.38 2g4a h TRP 23 Ca -0.18 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.75 2g4a h TRP 23 Cb 1.29 -0.21 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2g4a h TRP 23 CO 0.18 0.39 -0.13 -1.35 -1.28 0.00 0.00 178.44 176.26 2g4a h PRO 24 N 0.67 0.26 -0.00 0.12 0.11 -1.77 -3.09 132.00 128.29 2g4a h PRO 24 Ca 0.19 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2g4a h PRO 24 Cb -0.05 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2g4a h PRO 24 CO -0.04 0.70 -0.01 1.19 -0.21 0.00 0.00 178.00 179.63 2g4a n PHE 25 N -4.62 0.00 -0.02 0.65 3.72 -1.12 -3.85 117.46 112.23 2g4a n PHE 25 Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 2g4a n PHE 25 Cb 0.35 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.33 -0.05 -3.37 1.38 5.03 -0.63 -0.50 116.97 119.17 2g4a h TYR 26 Ca 0.00 -0.00 -0.55 0.00 2.58 0.00 0.00 58.73 60.76 2g4a h TYR 26 Cb 0.15 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 2g4a h TYR 26 CO 0.00 0.58 0.31 0.15 -1.32 0.00 0.00 178.16 177.89 2g4a s LYS 27 N -3.36 4.48 0.18 1.82 1.02 -1.25 -2.45 119.74 120.19 2g4a s LYS 27 Ca -0.16 1.22 -0.03 0.00 0.02 0.00 0.00 55.97 57.02 2g4a s LYS 27 Cb -0.00 -3.48 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2g4a s LYS 27 CO 0.62 -0.07 0.20 -0.35 -0.92 0.00 0.00 175.35 174.83 2g4a n PRO 28 N 4.11 -0.68 -3.95 -1.68 -0.04 -1.26 -4.95 135.00 126.55 2g4a n PRO 28 Ca 0.04 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 62.88 2g4a n PRO 28 Cb 0.51 -0.24 -0.14 0.00 -0.04 0.00 0.00 33.50 33.58 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 -1.42 2.61 -1.05 0.52 1.01 -1.26 -5.03 120.40 115.78 2g4a s VAL 29 Ca 0.12 -3.40 -0.24 0.00 0.00 0.00 0.00 61.98 58.46 2g4a s VAL 29 Cb -0.01 -2.81 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 2g4a s VAL 29 CO 0.09 -0.82 1.96 -0.62 0.00 0.00 0.00 175.10 175.71 2g4a s ASP 30 N -0.39 4.98 0.55 3.32 2.15 -1.26 -4.76 116.67 121.27 2g4a s ASP 30 Ca 0.18 -1.17 0.24 0.00 0.43 0.00 0.00 52.55 52.22 2g4a s ASP 30 Cb -0.24 -2.58 1.46 0.00 -0.30 0.00 0.00 42.92 41.26 2g4a s ASP 30 CO -0.01 -3.03 2.08 0.00 -0.17 0.00 0.00 175.17 174.04 2g4a h ALA 31 N 10.54 2.10 -0.02 3.66 0.00 -1.96 0.72 119.26 134.31 2g4a h ALA 31 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2g4a h ALA 31 Cb 0.97 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2g4a h ALA 31 CO 1.20 -0.33 -0.48 0.77 0.00 0.00 0.00 179.25 180.41 2g4a h SER 32 N 0.00 0.04 0.00 0.00 0.02 -1.87 -2.81 113.55 108.93 2g4a h SER 32 Ca 0.12 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 2g4a h SER 32 Cb 0.53 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2g4a h SER 32 CO -0.00 0.52 -1.69 0.00 -1.14 0.00 0.00 176.83 174.52 2g4a n ALA 33 N -2.45 1.71 0.17 3.77 0.00 -0.46 -4.73 120.51 118.52 2g4a n ALA 33 Ca -0.02 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 2g4a n ALA 33 Cb 0.50 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 2g4a n ALA 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2g4a h LEU 34 N -0.68 -0.90 0.00 0.00 7.12 0.23 -3.47 115.31 117.60 2g4a h LEU 34 Ca -0.35 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.75 2g4a h LEU 34 Cb 1.22 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 2g4a h LEU 34 CO -0.21 -0.44 0.00 0.61 -0.13 0.00 0.00 178.44 178.27 2g4a n GLY 35 N -1.43 0.85 3.00 3.75 0.00 -1.10 -5.04 105.19 105.22 2g4a n GLY 35 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 4.07 0.20 0.99 7.99 -1.08 -4.88 117.00 124.29 2g4a n LEU 36 Ca 0.00 -5.18 0.05 0.00 -0.01 0.00 0.00 56.01 50.87 2g4a n LEU 36 Cb 0.00 -1.01 0.41 0.00 -0.11 0.00 0.00 43.42 42.71 2g4a n LEU 36 CO 0.00 1.65 0.74 0.45 -1.51 0.00 0.00 177.39 178.72 2g4a h HIS 37 N 5.67 0.00 -0.37 -1.77 3.86 -1.99 -2.65 115.15 117.90 2g4a h HIS 37 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2g4a h HIS 37 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2g4a h HIS 37 CO 0.73 0.34 0.00 -3.47 0.86 0.00 0.00 177.93 176.39 2g4a n ASP 38 N -3.79 2.58 -0.07 2.45 2.03 -1.26 -4.06 116.55 114.44 2g4a n ASP 38 Ca -0.01 -2.16 -0.20 0.00 0.52 0.00 0.00 54.79 52.94 2g4a n ASP 38 Cb 0.42 -0.37 -0.13 0.00 -0.72 0.00 0.00 41.12 40.32 2g4a n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2g4a n TYR 39 N 0.56 0.57 1.45 -0.67 4.19 -1.00 -4.24 117.16 118.03 2g4a n TYR 39 Ca 0.14 0.13 0.15 0.00 3.31 0.00 0.00 57.90 61.63 2g4a n TYR 39 Cb 0.47 -1.07 0.77 0.00 0.49 0.00 0.00 39.34 39.99 2g4a n TYR 39 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2g4a n HIS 40 N -3.46 0.00 -0.06 2.98 -0.00 -1.26 -2.21 115.22 111.21 2g4a n HIS 40 Ca -0.40 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 57.72 2g4a n HIS 40 Cb 1.00 -0.27 -0.05 0.00 -0.12 0.00 0.00 29.99 30.54 2g4a n HIS 40 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2g4a h ASP 41 N 0.00 0.00 0.00 0.26 5.19 -1.74 -3.22 116.42 116.91 2g4a h ASP 41 Ca 0.00 -0.39 -0.06 0.00 -0.62 0.00 0.00 57.03 55.96 2g4a h ASP 41 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2g4a h ASP 41 CO 0.00 0.74 -0.34 0.40 -3.12 0.00 0.00 179.24 176.92 2g4a h ILE 42 N -1.00 1.12 0.03 0.35 2.04 -1.74 -3.42 117.51 114.90 2g4a h ILE 42 Ca -0.02 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.89 2g4a h ILE 42 Cb 0.46 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2g4a h ILE 42 CO -0.01 0.38 -0.02 0.40 0.00 0.00 0.00 178.15 178.90 2g4a h ILE 43 N -1.00 0.00 0.00 -0.67 1.08 -1.69 -3.47 117.51 111.76 2g4a h ILE 43 Ca -0.08 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2g4a h ILE 43 Cb 0.85 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2g4a h ILE 43 CO -0.05 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.58 2g4a n LYS 44 N -2.38 0.00 -3.83 2.37 4.81 -1.01 -4.88 118.16 113.24 2g4a n LYS 44 Ca -0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 2g4a n LYS 44 Cb 0.02 -0.89 -0.11 0.00 0.02 0.00 0.00 35.03 34.07 2g4a n LYS 44 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2g4a s HIS 45 N -0.50 3.51 -0.81 5.64 2.46 -1.26 -4.95 115.29 119.38 2g4a s HIS 45 Ca 0.00 -3.14 -0.25 0.00 0.47 0.00 0.00 55.06 52.14 2g4a s HIS 45 Cb 0.00 -2.93 -0.15 0.00 -0.13 0.00 0.00 32.58 29.37 2g4a s HIS 45 CO 0.00 -0.68 2.39 -2.30 -2.47 0.00 0.00 174.74 171.68 2g4a n PRO 46 N 2.58 0.51 -3.63 2.88 -0.02 -1.26 -4.91 135.00 131.15 2g4a n PRO 46 Ca 0.14 -0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 60.41 2g4a n PRO 46 Cb 0.35 -3.57 -0.07 0.00 -0.02 0.00 0.00 33.50 30.19 2g4a n PRO 46 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2g4a s MET 47 N 8.81 4.08 0.18 -0.52 1.75 -1.26 -4.95 119.30 127.39 2g4a s MET 47 Ca 0.94 0.03 -0.06 0.00 -1.25 0.00 0.00 55.69 55.36 2g4a s MET 47 Cb -0.16 -3.37 -0.02 0.00 2.84 0.00 0.00 34.83 34.12 2g4a s MET 47 CO 0.11 0.38 0.22 0.16 -0.65 0.00 0.00 175.02 175.25 2g4a s ASP 48 N 0.05 0.11 0.34 1.11 -4.77 -1.26 -4.91 116.67 107.33 2g4a s ASP 48 Ca 0.15 -1.10 0.05 0.00 -3.30 0.00 0.00 52.55 48.36 2g4a s ASP 48 Cb -0.13 0.41 0.62 0.00 -1.09 0.00 0.00 42.92 42.74 2g4a s ASP 48 CO 0.04 -0.88 1.86 -0.07 0.70 0.00 0.00 175.17 176.82 2g4a h LEU 49 N 2.59 0.41 -0.95 2.11 4.07 -1.19 -2.79 115.31 119.57 2g4a h LEU 49 Ca -0.33 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2g4a h LEU 49 Cb 1.23 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 2g4a h LEU 49 CO 0.50 0.54 0.61 0.28 -1.08 0.00 0.00 178.44 179.29 2g4a h SER 50 N 0.41 1.11 -0.65 -0.43 0.02 -1.70 -2.19 113.55 110.12 2g4a h SER 50 Ca 0.08 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2g4a h SER 50 Cb 0.40 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2g4a h SER 50 CO 0.02 0.83 0.28 0.74 -1.14 0.00 0.00 176.83 177.56 2g4a h THR 51 N 1.30 1.23 -0.98 -2.27 2.02 -1.78 -2.41 112.91 110.02 2g4a h THR 51 Ca 0.35 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.87 2g4a h THR 51 Cb -0.11 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.65 2g4a h THR 51 CO -0.07 0.29 0.63 0.58 0.37 0.00 0.00 175.52 177.32 2g4a h VAL 52 N 0.97 1.10 -0.58 3.16 2.07 -1.35 -1.85 116.25 119.77 2g4a h VAL 52 Ca 0.23 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2g4a h VAL 52 Cb 0.17 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 2g4a h VAL 52 CO -0.02 0.21 0.38 0.50 0.02 0.00 0.00 177.57 178.66 2g4a h LYS 53 N 1.17 0.77 -0.95 1.57 1.63 -1.25 0.24 116.57 119.76 2g4a h LYS 53 Ca 0.42 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2g4a h LYS 53 Cb 0.13 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 2g4a h LYS 53 CO -0.16 0.53 0.62 0.00 -3.45 0.00 0.00 179.45 176.99 2g4a h ARG 54 N 0.79 1.19 -0.10 1.90 2.47 -1.22 0.27 114.38 119.69 2g4a h ARG 54 Ca 0.21 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.76 2g4a h ARG 54 Cb -0.07 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 27.98 2g4a h ARG 54 CO -0.04 0.79 -0.33 0.87 0.56 0.00 0.00 179.97 181.82 2g4a h LYS 55 N 1.23 0.40 -0.42 0.04 6.56 -1.05 -2.58 116.57 120.76 2g4a h LYS 55 Ca 0.37 -0.30 -0.07 0.00 -1.06 0.00 0.00 60.65 59.59 2g4a h LYS 55 Cb -0.05 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2g4a h LYS 55 CO -0.11 0.92 -0.03 0.52 -2.06 0.00 0.00 179.45 178.69 2g4a h MET 56 N -0.04 0.69 0.00 3.15 2.86 -0.70 0.74 114.93 121.63 2g4a h MET 56 Ca -0.01 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 2g4a h MET 56 Cb 0.96 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2g4a h MET 56 CO 0.07 0.73 -0.49 1.05 1.06 0.00 0.00 176.91 179.33 2g4a h GLU 57 N 0.64 0.00 -0.03 1.72 4.11 -0.50 -2.86 114.58 117.67 2g4a h GLU 57 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2g4a h GLU 57 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2g4a h GLU 57 CO 0.02 0.49 -0.07 0.09 0.07 0.00 0.00 179.01 179.61 2g4a n ASN 58 N -3.70 2.67 -3.21 3.06 3.02 -0.97 -4.96 115.26 111.16 2g4a n ASN 58 Ca -0.01 -1.86 -0.19 0.00 -0.03 0.00 0.00 54.58 52.49 2g4a n ASN 58 Cb 0.55 0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.86 2g4a n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2g4a n ARG 59 N 1.01 -6.66 0.08 3.52 0.63 0.72 -4.92 116.66 111.04 2g4a n ARG 59 Ca 0.14 0.74 -0.10 0.00 -0.92 0.00 0.00 57.85 57.72 2g4a n ARG 59 Cb 0.55 -5.50 -0.05 0.00 0.45 0.00 0.00 32.46 27.92 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 -2.15 0.24 0.00 6.15 3.58 0.02 -3.37 116.42 120.91 2g4a h ASP 60 Ca -0.51 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 56.72 2g4a h ASP 60 Cb 1.32 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2g4a h ASP 60 CO 0.48 1.07 -0.00 1.88 -2.88 0.00 0.00 179.24 179.78 2g4a h TYR 61 N 0.08 -0.01 -0.15 0.28 0.05 -1.92 -3.46 116.97 111.85 2g4a h TYR 61 Ca -0.05 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 2g4a h TYR 61 Cb 1.62 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.34 2g4a h TYR 61 CO 0.03 -0.00 -0.06 0.54 -1.05 0.00 0.00 178.16 177.62 2g4a n ARG 62 N -2.02 -1.55 -3.63 4.88 1.74 -1.26 -4.93 116.66 109.89 2g4a n ARG 62 Ca -0.00 0.53 -0.15 0.00 -0.77 0.00 0.00 57.85 57.47 2g4a n ARG 62 Cb 0.00 -4.76 -0.07 0.00 -1.02 0.00 0.00 32.46 26.62 2g4a n ARG 62 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2g4a s ASP 63 N -2.15 -0.39 0.01 0.55 1.01 -1.26 -5.06 116.67 109.38 2g4a s ASP 63 Ca 0.00 0.25 -0.18 0.00 0.71 0.00 0.00 52.55 53.33 2g4a s ASP 63 Cb 0.00 0.44 -0.28 0.00 1.01 0.00 0.00 42.92 44.09 2g4a s ASP 63 CO 0.00 -0.61 1.05 0.00 0.21 0.00 0.00 175.17 175.82 2g4a h ALA 64 N 3.18 -0.00 -0.99 5.23 0.00 -1.91 -3.20 119.26 121.56 2g4a h ALA 64 Ca -0.30 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 53.93 2g4a h ALA 64 Cb 1.18 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2g4a h ALA 64 CO 0.41 0.50 0.64 0.37 0.00 0.00 0.00 179.25 181.16 2g4a h GLN 65 N -0.01 1.31 -0.81 0.00 5.75 -1.98 -1.46 115.11 117.92 2g4a h GLN 65 Ca -0.14 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2g4a h GLN 65 Cb 1.65 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 29.86 2g4a h GLN 65 CO 0.18 0.88 0.53 0.93 -2.65 0.00 0.00 178.83 178.70 2g4a h GLU 66 N 1.35 1.02 -0.21 1.69 4.39 -1.92 0.95 114.58 121.85 2g4a h GLU 66 Ca 0.36 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2g4a h GLU 66 Cb -0.13 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.29 2g4a h GLU 66 CO -0.07 0.68 -0.06 0.35 -1.16 0.00 0.00 179.01 178.74 2g4a h PHE 67 N 1.05 0.46 -0.90 4.33 3.04 -1.43 -2.44 116.94 121.06 2g4a h PHE 67 Ca 0.31 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 2g4a h PHE 67 Cb -0.07 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 2g4a h PHE 67 CO -0.02 0.66 0.52 0.00 -2.02 0.00 0.00 178.31 177.45 2g4a h ALA 68 N 0.73 1.22 -0.69 2.41 0.00 -0.97 -2.50 119.26 119.47 2g4a h ALA 68 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2g4a h ALA 68 Cb 0.52 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2g4a h ALA 68 CO 0.02 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.12 2g4a h ALA 69 N 1.32 1.05 -0.63 0.00 0.00 -0.75 -2.57 119.26 117.68 2g4a h ALA 69 Ca 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2g4a h ALA 69 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2g4a h ALA 69 CO -0.06 0.64 0.23 -0.44 0.00 0.00 0.00 179.25 179.62 2g4a h ASP 70 N 1.03 0.86 -0.64 0.00 3.32 -1.01 -2.51 116.42 117.47 2g4a h ASP 70 Ca 0.22 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2g4a h ASP 70 Cb 0.32 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2g4a h ASP 70 CO -0.00 0.78 0.11 0.58 -1.72 0.00 0.00 179.24 178.99 2g4a h VAL 71 N 0.91 1.26 -0.59 -1.35 2.07 -1.16 -2.71 116.25 114.68 2g4a h VAL 71 Ca 0.21 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2g4a h VAL 71 Cb 0.21 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2g4a h VAL 71 CO -0.01 0.37 0.39 0.03 0.02 0.00 0.00 177.57 178.37 2g4a h ARG 72 N 0.97 0.75 -0.29 1.57 3.08 -1.07 -1.79 114.38 117.60 2g4a h ARG 72 Ca 0.20 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2g4a h ARG 72 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2g4a h ARG 72 CO 0.01 0.50 -0.04 1.25 -1.07 0.00 0.00 179.97 180.62 2g4a h LEU 73 N 0.78 0.54 -0.78 3.04 5.85 -1.17 0.23 115.31 123.79 2g4a h LEU 73 Ca 0.22 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2g4a h LEU 73 Cb -0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2g4a h LEU 73 CO -0.05 0.75 0.26 -0.03 -0.34 0.00 0.00 178.44 179.03 2g4a h MET 74 N 0.32 1.17 -0.02 1.25 4.05 -1.24 0.21 114.93 120.67 2g4a h MET 74 Ca 0.08 -0.24 -0.13 0.00 -0.28 0.00 0.00 59.70 59.13 2g4a h MET 74 Cb 0.50 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2g4a h MET 74 CO 0.02 0.98 -0.50 0.74 0.23 0.00 0.00 176.91 178.38 2g4a h PHE 75 N 1.13 0.55 -0.37 1.39 -1.00 -1.28 -3.06 116.94 114.30 2g4a h PHE 75 Ca 0.25 -0.28 -0.09 0.00 2.81 0.00 0.00 57.97 60.66 2g4a h PHE 75 Cb 0.28 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2g4a h PHE 75 CO 0.02 1.08 -0.13 1.03 -1.61 0.00 0.00 178.31 178.71 2g4a h SER 76 N -0.13 0.65 -0.24 2.17 0.87 -0.49 -2.39 113.55 113.99 2g4a h SER 76 Ca -0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2g4a h SER 76 Cb 1.20 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2g4a h SER 76 CO 0.10 0.80 0.15 0.78 -0.53 0.00 0.00 176.83 178.13 2g4a h ASN 77 N 0.60 0.28 -0.56 6.23 4.21 -0.64 -1.31 115.58 124.39 2g4a h ASN 77 Ca 0.10 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 2g4a h ASN 77 Cb 0.57 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2g4a h ASN 77 CO 0.04 0.23 0.17 0.00 -1.29 0.00 0.00 177.43 176.57 2g4a h TYR 79 N 0.79 0.49 -0.00 0.00 0.05 -1.20 0.32 116.97 117.41 2g4a h TYR 79 Ca 0.18 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 2g4a h TYR 79 Cb 0.30 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 2g4a h TYR 79 CO 0.02 0.28 -0.68 0.87 -1.05 0.00 0.00 178.16 177.60 2g4a h LYS 80 N 0.53 0.03 0.29 4.88 1.79 -1.10 -3.35 116.57 119.62 2g4a h LYS 80 Ca 0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2g4a h LYS 80 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2g4a h LYS 80 CO -0.09 0.69 -0.14 -0.92 -1.08 0.00 0.00 179.45 177.92 2g4a h TYR 81 N 0.02 -0.36 -4.29 -1.35 3.20 -0.32 -3.46 116.97 110.40 2g4a h TYR 81 Ca -0.01 -0.01 -0.56 0.00 3.14 0.00 0.00 58.73 61.30 2g4a h TYR 81 Cb 1.20 0.12 -0.28 0.00 1.54 0.00 0.00 36.73 39.31 2g4a h TYR 81 CO 0.00 -0.22 -0.84 -0.80 -1.64 0.00 0.00 178.16 174.66 2g4a s ASN 82 N -3.89 2.17 0.70 -2.11 -0.87 0.05 -5.08 114.94 105.90 2g4a s ASN 82 Ca -0.06 -0.37 -0.12 0.00 -1.57 0.00 0.00 52.86 50.74 2g4a s ASN 82 Cb 0.01 -0.22 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 2g4a s ASN 82 CO 0.17 0.20 1.08 -2.16 -2.57 0.00 0.00 177.10 173.82 2g4a s PRO 83 N -0.62 2.76 -0.44 -0.60 0.04 -1.26 -4.32 135.00 130.56 2g4a s PRO 83 Ca 0.07 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 2g4a s PRO 83 Cb -0.07 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2g4a s PRO 83 CO -0.00 -1.25 1.67 -2.14 0.04 0.00 0.00 177.00 175.31 2g4a s PRO 84 N -4.66 3.24 -0.04 0.56 0.02 -1.26 -4.64 135.00 128.23 2g4a s PRO 84 Ca 0.62 1.02 0.02 0.00 0.02 0.00 0.00 61.00 62.67 2g4a s PRO 84 Cb -0.16 -4.19 0.05 0.00 0.02 0.00 0.00 34.50 30.22 2g4a s PRO 84 CO 0.50 -1.98 0.58 -3.47 -0.33 0.00 0.00 177.00 172.29 2g4a n ASP 85 N 10.35 -0.49 -3.16 2.53 -0.08 -1.26 -5.08 116.55 119.37 2g4a n ASP 85 Ca 0.19 -1.04 -0.07 0.00 -1.51 0.00 0.00 54.79 52.36 2g4a n ASP 85 Cb 0.48 0.18 0.02 0.00 2.34 0.00 0.00 41.12 44.14 2g4a n ASP 85 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2g4a s HIS 86 N 0.02 0.07 0.28 -0.67 3.76 -1.26 -5.04 115.29 112.45 2g4a s HIS 86 Ca 0.01 -0.64 0.08 0.00 -0.15 0.00 0.00 55.06 54.36 2g4a s HIS 86 Cb 0.05 0.78 0.41 0.00 1.11 0.00 0.00 32.58 34.93 2g4a s HIS 86 CO -0.02 -1.33 1.65 0.22 -0.85 0.00 0.00 174.74 174.42 2g4a h ASP 87 N 2.00 0.15 0.64 1.40 3.58 -2.00 -2.22 116.42 119.97 2g4a h ASP 87 Ca -0.30 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 2g4a h ASP 87 Cb 1.24 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2g4a h ASP 87 CO 0.37 0.64 -0.46 0.58 -2.88 0.00 0.00 179.24 177.50 2g4a h VAL 88 N 0.11 0.09 -0.50 2.25 2.07 -2.00 0.22 116.25 118.49 2g4a h VAL 88 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2g4a h VAL 88 Cb 0.95 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2g4a h VAL 88 CO 0.07 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.17 2g4a h VAL 89 N -1.05 1.26 -0.88 2.57 2.07 -1.91 -2.95 116.25 115.36 2g4a h VAL 89 Ca -0.08 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2g4a h VAL 89 Cb 0.87 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2g4a h VAL 89 CO 0.04 0.41 0.56 0.00 0.02 0.00 0.00 177.57 178.60 2g4a h ALA 90 N 1.10 1.19 -0.72 1.67 0.00 -1.24 -1.59 119.26 119.68 2g4a h ALA 90 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2g4a h ALA 90 Cb 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2g4a h ALA 90 CO 0.04 0.36 0.31 0.52 0.00 0.00 0.00 179.25 180.48 2g4a h MET 91 N 1.05 1.04 -0.32 0.00 2.86 -0.78 -2.41 114.93 116.37 2g4a h MET 91 Ca 0.37 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 2g4a h MET 91 Cb 0.10 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2g4a h MET 91 CO -0.15 0.82 0.00 0.00 1.06 0.00 0.00 176.91 178.65 2g4a h ALA 92 N 1.32 0.43 -1.01 6.32 0.00 -1.24 -2.94 119.26 122.14 2g4a h ALA 92 Ca 0.24 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2g4a h ALA 92 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2g4a h ALA 92 CO -0.03 0.18 0.66 -0.09 0.00 0.00 0.00 179.25 179.97 2g4a h ARG 93 N 0.36 1.26 -0.45 0.00 1.12 -1.10 -1.74 114.38 113.83 2g4a h ARG 93 Ca 0.09 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 2g4a h ARG 93 Cb 0.44 -0.28 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 2g4a h ARG 93 CO 0.02 0.83 0.19 0.87 -3.11 0.00 0.00 179.97 178.77 2g4a h LYS 94 N 1.30 0.64 0.00 0.20 1.57 -1.34 -2.04 116.57 116.90 2g4a h LYS 94 Ca 0.39 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2g4a h LYS 94 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2g4a h LYS 94 CO -0.11 0.52 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.75 2g4a h LEU 95 N 0.64 0.00 -0.24 2.94 3.38 -1.17 -3.26 115.31 117.60 2g4a h LEU 95 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2g4a h LEU 95 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2g4a h LEU 95 CO -0.02 0.47 0.09 -0.61 0.09 0.00 0.00 178.44 178.46 2g4a h GLN 96 N 0.00 0.36 -0.29 1.13 -0.00 -0.61 -1.73 115.11 113.98 2g4a h GLN 96 Ca -0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.65 58.51 2g4a h GLN 96 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.58 2g4a h GLN 96 CO 0.06 0.42 -0.09 0.38 0.00 0.00 0.00 178.83 179.60 2g4a h ASP 97 N 0.23 0.45 -0.18 -0.69 3.04 -1.62 -2.30 116.42 115.36 2g4a h ASP 97 Ca 0.08 -0.10 -0.11 0.00 -3.24 0.00 0.00 57.03 53.66 2g4a h ASP 97 Cb 0.19 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.35 2g4a h ASP 97 CO -0.01 0.58 -0.25 0.58 -2.04 0.00 0.00 179.24 178.10 2g4a h VAL 98 N 0.44 1.27 -0.11 4.15 2.07 -1.55 -2.52 116.25 120.00 2g4a h VAL 98 Ca 0.09 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2g4a h VAL 98 Cb 0.42 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2g4a h VAL 98 CO 0.02 0.44 -0.01 0.15 0.02 0.00 0.00 177.57 178.19 2g4a h PHE 99 N 0.56 0.22 -0.76 1.57 3.57 -0.85 -2.13 116.94 119.13 2g4a h PHE 99 Ca 0.08 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2g4a h PHE 99 Cb 0.73 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2g4a h PHE 99 CO 0.03 0.47 0.48 1.49 -2.23 0.00 0.00 178.31 178.55 2g4a h GLU 100 N -0.09 0.90 -0.65 1.11 4.22 -1.39 0.53 114.58 119.20 2g4a h GLU 100 Ca 0.03 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 2g4a h GLU 100 Cb 0.39 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2g4a h GLU 100 CO 0.01 0.59 0.17 0.35 -2.18 0.00 0.00 179.01 177.95 2g4a h PHE 101 N 0.92 1.07 0.06 0.92 3.04 -1.41 -2.62 116.94 118.92 2g4a h PHE 101 Ca 0.31 -0.11 -0.24 0.00 3.98 0.00 0.00 57.97 61.90 2g4a h PHE 101 Cb 0.03 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.24 2g4a h PHE 101 CO -0.04 0.87 -1.07 0.00 -2.02 0.00 0.00 178.31 176.06 2g4a h ARG 102 N 0.98 0.34 0.00 1.11 2.47 -0.80 -3.20 114.38 115.28 2g4a h ARG 102 Ca 0.21 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 2g4a h ARG 102 Cb 0.33 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2g4a h ARG 102 CO -0.00 1.15 -0.04 -0.92 0.56 0.00 0.00 179.97 180.71 2g4a h TYR 103 N 0.16 0.00 -0.30 3.04 3.20 0.23 -1.91 116.97 121.39 2g4a h TYR 103 Ca -0.10 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 2g4a h TYR 103 Cb 1.74 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 2g4a h TYR 103 CO 0.06 0.04 -0.37 0.00 -1.64 0.00 0.00 178.16 176.25 2g4a h ALA 104 N 1.96 0.45 0.00 1.82 0.00 -1.46 -3.08 119.26 118.95 2g4a h ALA 104 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2g4a h ALA 104 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g4a h ALA 104 CO 0.01 0.53 -0.07 0.87 0.00 0.00 0.00 179.25 180.59 2g4a h LYS 105 N 0.54 0.00 0.20 0.00 1.79 -1.55 -3.36 116.57 114.18 2g4a h LYS 105 Ca 0.04 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2g4a h LYS 105 Cb 0.96 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 2g4a h LYS 105 CO 0.09 0.00 -0.48 0.52 -1.08 0.00 0.00 179.45 178.49 2g4a h MET 106 N 0.00 -0.74 -6.45 3.15 2.86 -1.26 -3.42 114.93 109.06 2g4a h MET 106 Ca 0.00 0.05 -0.62 0.00 -2.06 0.00 0.00 59.70 57.07 2g4a h MET 106 Cb 0.83 0.17 0.07 0.00 0.06 0.00 0.00 31.60 32.73 2g4a h MET 106 CO 0.00 -0.49 0.54 -0.35 1.06 0.00 0.00 176.91 177.66 2g4a n PRO 107 N -5.50 1.68 0.00 -0.22 -0.04 -1.26 -4.98 135.00 124.69 2g4a n PRO 107 Ca -0.09 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2g4a n PRO 107 Cb 0.41 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2g4a n PRO 107 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99