#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8n h GLN 2 N 0.00 0.97 -0.27 5.31 4.20 -1.99 -0.57 115.11 122.75 2i8n h GLN 2 Ca 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2i8n h GLN 2 Cb 0.00 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 2i8n h GLN 2 CO 0.00 0.64 0.06 -0.07 -0.67 0.00 0.00 178.83 178.79 2i8n h LEU 3 N 1.00 0.42 -1.52 1.46 3.38 -1.95 -2.35 115.31 115.75 2i8n h LEU 3 Ca 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2i8n h LEU 3 Cb -0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2i8n h LEU 3 CO -0.08 0.55 0.14 0.50 0.09 0.00 0.00 178.44 179.65 2i8n h LYS 4 N 0.27 0.46 -0.39 1.13 3.64 -1.93 -2.26 116.57 117.49 2i8n h LYS 4 Ca 0.09 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2i8n h LYS 4 Cb 0.30 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2i8n h LYS 4 CO 0.00 0.38 -0.03 0.00 -2.27 0.00 0.00 179.45 177.53 2i8n h SER 7 N 1.11 0.69 -0.26 0.00 4.64 -1.34 -1.54 113.55 116.84 2i8n h SER 7 Ca 0.27 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2i8n h SER 7 Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2i8n h SER 7 CO -0.03 0.49 0.16 1.23 -0.87 0.00 0.00 176.83 177.81 2i8n h GLY 8 N 0.81 0.38 0.81 -0.77 0.00 -1.31 0.49 103.07 103.48 2i8n h GLY 8 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2i8n h GLY 8 CO -0.06 0.15 0.02 -2.22 0.00 0.00 0.00 176.54 174.43 2i8n h ILE 9 N 0.34 1.23 -0.45 2.60 2.04 -1.42 -2.95 117.51 118.90 2i8n h ILE 9 Ca 0.09 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 2i8n h ILE 9 Cb -0.00 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2i8n h ILE 9 CO -0.02 0.23 0.11 0.25 0.00 0.00 0.00 178.15 178.72 2i8n h LEU 10 N 0.05 0.62 -1.89 1.44 6.46 -1.17 -2.43 115.31 118.40 2i8n h LEU 10 Ca 0.05 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 2i8n h LEU 10 Cb 0.33 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2i8n h LEU 10 CO 0.00 0.62 0.20 0.11 -0.62 0.00 0.00 178.44 178.76 2i8n h LYS 11 N 0.66 0.14 -0.82 1.25 1.57 0.15 -1.40 116.57 118.11 2i8n h LYS 11 Ca 0.15 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2i8n h LYS 11 Cb 0.25 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2i8n h LYS 11 CO -0.00 0.09 0.54 1.49 -0.57 0.00 0.00 179.45 181.00 2i8n h GLU 12 N 0.14 1.05 -0.73 3.15 4.81 -1.36 0.93 114.58 122.57 2i8n h GLU 12 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2i8n h GLU 12 Cb 0.35 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2i8n h GLU 12 CO -0.02 0.70 0.38 0.52 -0.73 0.00 0.00 179.01 179.86 2i8n h MET 13 N 1.09 1.03 -0.02 1.92 2.86 -1.37 -1.76 114.93 118.67 2i8n h MET 13 Ca 0.31 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2i8n h MET 13 Cb -0.08 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.38 2i8n h MET 13 CO -0.07 0.77 -0.14 1.19 1.06 0.00 0.00 176.91 179.71 2i8n n PHE 14 N -4.35 0.00 0.99 -0.22 3.01 -0.67 -1.67 117.46 114.56 2i8n n PHE 14 Ca 0.07 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.59 2i8n n PHE 14 Cb 0.11 -0.02 0.15 0.00 -0.01 0.00 0.00 39.48 39.72 2i8n n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i8n n ALA 15 N 0.50 2.45 -1.21 4.37 0.00 0.31 -4.88 120.51 122.05 2i8n n ALA 15 Ca 0.14 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.97 2i8n n ALA 15 Cb 0.48 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 2i8n n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i8n n LYS 16 N 0.43 -0.32 -0.07 0.00 4.76 -1.24 -4.90 118.16 116.82 2i8n n LYS 16 Ca 0.11 0.62 -0.10 0.00 -2.87 0.00 0.00 58.31 56.08 2i8n n LYS 16 Cb 0.27 -4.32 -0.07 0.00 -1.84 0.00 0.00 35.03 29.07 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2i8n n LYS 17 N -2.75 0.55 -0.06 1.97 5.02 -1.04 -4.68 118.16 117.18 2i8n n LYS 17 Ca -0.05 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 2i8n n LYS 17 Cb 0.18 -1.29 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 2i8n n LYS 17 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2i8n n HIS 18 N -2.87 0.00 0.09 2.13 8.25 -0.73 -4.70 115.22 117.39 2i8n n HIS 18 Ca -0.25 -0.76 -0.08 0.00 -0.26 0.00 0.00 57.72 56.37 2i8n n HIS 18 Cb 0.79 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.78 2i8n n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i8n h ALA 19 N 0.00 0.54 -0.66 -1.41 0.00 -1.51 -2.65 119.26 113.56 2i8n h ALA 19 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2i8n h ALA 19 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2i8n h ALA 19 CO 0.00 0.93 0.16 0.00 0.00 0.00 0.00 179.25 180.34 2i8n h ALA 20 N 1.00 0.87 -0.12 0.00 0.00 -1.86 0.73 119.26 119.88 2i8n h ALA 20 Ca -0.04 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2i8n h ALA 20 Cb 1.50 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2i8n h ALA 20 CO 0.13 0.59 -0.69 1.88 0.00 0.00 0.00 179.25 181.17 2i8n h TYR 21 N 0.99 0.69 -0.62 0.00 0.05 -1.89 -3.16 116.97 113.03 2i8n h TYR 21 Ca 0.21 -0.29 -0.20 0.00 0.05 0.00 0.00 58.73 58.50 2i8n h TYR 21 Cb 0.37 -0.11 -0.12 0.00 1.01 0.00 0.00 36.73 37.88 2i8n h TYR 21 CO 0.03 1.05 0.20 0.00 -1.05 0.00 0.00 178.16 178.39 2i8n n ALA 22 N -2.53 4.36 0.32 3.88 0.00 -1.00 -4.67 120.51 120.87 2i8n n ALA 22 Ca -0.05 -2.52 -0.15 0.00 0.00 0.00 0.00 53.44 50.72 2i8n n ALA 22 Cb 0.69 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 2i8n n ALA 22 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2i8n h TRP 23 N 2.11 -0.77 0.00 0.00 7.01 0.52 -2.92 115.95 121.91 2i8n h TRP 23 Ca 0.25 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.23 2i8n h TRP 23 Cb 2.12 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 29.44 2i8n h TRP 23 CO 1.14 -0.43 0.00 -1.00 -2.79 0.00 0.00 178.44 175.36 2i8n h PRO 24 N -1.05 0.00 -0.70 2.65 0.13 -1.83 -2.18 132.00 129.02 2i8n h PRO 24 Ca -0.08 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.60 2i8n h PRO 24 Cb 0.68 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.55 2i8n h PRO 24 CO 0.14 0.00 0.03 0.34 -0.23 0.00 0.00 178.00 178.27 2i8n n PHE 25 N -2.63 2.31 0.11 1.56 -0.00 -1.14 -4.60 117.46 113.07 2i8n n PHE 25 Ca -0.01 -2.19 -0.17 0.00 -0.00 0.00 0.00 57.45 55.07 2i8n n PHE 25 Cb 0.09 -0.75 -0.14 0.00 -0.00 0.00 0.00 39.48 38.68 2i8n n PHE 25 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 2i8n h TYR 26 N 1.60 0.56 -2.77 -5.13 3.20 -1.21 -3.42 116.97 109.81 2i8n h TYR 26 Ca 0.41 -0.41 -0.63 0.00 3.14 0.00 0.00 58.73 61.23 2i8n h TYR 26 Cb 1.51 -0.02 -0.16 0.00 1.54 0.00 0.00 36.73 39.59 2i8n h TYR 26 CO 1.15 1.32 -0.79 -1.59 -1.64 0.00 0.00 178.16 176.61 2i8n s LYS 27 N -2.65 1.62 1.21 1.82 -2.85 -1.26 -4.48 119.74 113.15 2i8n s LYS 27 Ca -0.05 -1.61 -0.20 0.00 -1.00 0.00 0.00 55.97 53.11 2i8n s LYS 27 Cb 0.07 -1.83 0.31 0.00 -2.06 0.00 0.00 37.83 34.31 2i8n s LYS 27 CO 0.89 0.37 0.82 -0.35 0.10 0.00 0.00 175.35 177.18 2i8n n PRO 28 N -0.12 -4.00 -3.78 1.78 -0.04 -1.26 -4.97 135.00 122.61 2i8n n PRO 28 Ca -0.09 -1.35 -0.34 0.00 -0.04 0.00 0.00 63.50 61.68 2i8n n PRO 28 Cb 0.58 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2i8n n PRO 28 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2i8n s VAL 29 N -2.20 3.48 -0.40 0.52 -7.23 -1.26 -5.05 120.40 108.26 2i8n s VAL 29 Ca 0.59 -3.44 -0.27 0.00 -1.81 0.00 0.00 61.98 57.06 2i8n s VAL 29 Cb -0.09 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.52 2i8n s VAL 29 CO 0.48 -0.92 2.33 -1.81 -0.31 0.00 0.00 175.10 174.87 2i8n s ASP 30 N -0.04 4.81 0.24 4.85 1.11 -1.26 -4.84 116.67 121.53 2i8n s ASP 30 Ca 0.20 1.34 -0.07 0.00 0.18 0.00 0.00 52.55 54.20 2i8n s ASP 30 Cb -0.16 -2.50 0.24 0.00 1.07 0.00 0.00 42.92 41.56 2i8n s ASP 30 CO -0.06 -2.55 1.91 1.62 1.18 0.00 0.00 175.17 177.26 2i8n h VAL 31 N 7.49 1.22 -0.09 -1.27 3.04 -1.95 0.58 116.25 125.26 2i8n h VAL 31 Ca -0.30 -0.42 -0.08 0.00 -1.01 0.00 0.00 66.70 64.89 2i8n h VAL 31 Cb 1.25 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2i8n h VAL 31 CO 1.09 0.22 -0.25 -0.33 -1.01 0.00 0.00 177.57 177.29 2i8n h GLU 32 N 1.22 0.34 -0.05 4.17 5.08 -1.93 0.25 114.58 123.67 2i8n h GLU 32 Ca 0.34 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2i8n h GLU 32 Cb -0.11 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2i8n h GLU 32 CO -0.08 0.85 -0.12 0.00 -1.00 0.00 0.00 179.01 178.66 2i8n h ALA 33 N 0.49 0.08 0.00 3.43 0.00 -1.92 -3.29 119.26 118.05 2i8n h ALA 33 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2i8n h ALA 33 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2i8n h ALA 33 CO 0.05 -0.03 -0.34 -0.07 0.00 0.00 0.00 179.25 178.87 2i8n h LEU 34 N -0.35 0.00 -2.72 0.00 3.38 0.05 -3.49 115.31 112.18 2i8n h LEU 34 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2i8n h LEU 34 Cb 0.72 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.53 2i8n h LEU 34 CO 0.03 0.16 -0.24 0.61 0.09 0.00 0.00 178.44 179.08 2i8n n GLY 35 N 1.16 -0.38 2.51 0.83 0.00 0.83 -5.02 105.19 105.13 2i8n n GLY 35 Ca 0.02 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2i8n n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2i8n n LEU 36 N -1.93 0.51 0.01 0.99 -0.00 -0.86 -4.93 117.00 110.79 2i8n n LEU 36 Ca -0.02 -4.62 0.11 0.00 -0.00 0.00 0.00 56.01 51.48 2i8n n LEU 36 Cb 0.53 0.20 0.48 0.00 -0.00 0.00 0.00 43.42 44.63 2i8n n LEU 36 CO 0.27 1.85 0.86 1.57 -0.00 0.00 0.00 177.39 181.94 2i8n n HIS 37 N 2.52 0.05 0.26 1.47 -0.00 -1.26 -2.94 115.22 115.33 2i8n n HIS 37 Ca 0.27 0.02 0.14 0.00 0.46 0.00 0.00 57.72 58.61 2i8n n HIS 37 Cb 0.45 -0.53 0.37 0.00 -0.12 0.00 0.00 29.99 30.17 2i8n n HIS 37 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2i8n h ASP 38 N 0.00 0.00 -0.59 0.26 3.32 -1.99 -3.20 116.42 114.21 2i8n h ASP 38 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2i8n h ASP 38 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2i8n h ASP 38 CO 0.00 0.00 0.39 0.22 -1.72 0.00 0.00 179.24 178.13 2i8n h TYR 39 N 0.00 0.57 -0.51 4.55 3.20 -1.91 -0.01 116.97 122.88 2i8n h TYR 39 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2i8n h TYR 39 Cb 0.80 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2i8n h TYR 39 CO 0.00 0.31 0.01 0.00 -1.64 0.00 0.00 178.16 176.84 2i8n h ASP 41 N 0.78 0.61 0.25 0.00 3.58 -1.41 -3.39 116.42 116.85 2i8n h ASP 41 Ca 0.15 -0.75 -0.01 0.00 0.42 0.00 0.00 57.03 56.84 2i8n h ASP 41 Cb 0.45 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2i8n h ASP 41 CO 0.02 1.28 -0.12 0.40 -2.88 0.00 0.00 179.24 177.94 2i8n h ILE 42 N -0.00 0.00 -3.32 2.25 2.04 -0.98 -3.42 117.51 114.08 2i8n h ILE 42 Ca -0.08 -0.59 -0.65 0.00 1.00 0.00 0.00 64.86 64.53 2i8n h ILE 42 Cb 1.38 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.31 2i8n h ILE 42 CO 0.14 0.00 0.24 -0.63 0.00 0.00 0.00 178.15 177.90 2i8n s ILE 43 N -2.65 4.70 0.32 -0.67 -1.09 0.14 -4.92 121.20 117.03 2i8n s ILE 43 Ca -0.05 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 2i8n s ILE 43 Cb 0.00 -4.36 0.10 0.00 -1.58 0.00 0.00 42.46 36.63 2i8n s ILE 43 CO 0.15 -0.86 1.80 0.07 -1.23 0.00 0.00 174.94 174.86 2i8n h LYS 44 N 9.07 0.40 -3.65 2.79 2.10 -1.79 -3.38 116.57 122.11 2i8n h LYS 44 Ca -0.27 -0.13 -0.63 0.00 -2.00 0.00 0.00 60.65 57.63 2i8n h LYS 44 Cb 1.09 -0.04 -0.40 0.00 -0.90 0.00 0.00 32.23 31.98 2i8n h LYS 44 CO 0.99 0.58 -0.70 -1.01 -2.00 0.00 0.00 179.45 177.31 2i8n s HIS 45 N -4.60 2.75 -0.29 0.07 3.76 -1.26 -5.08 115.29 110.64 2i8n s HIS 45 Ca -0.06 -2.68 -0.28 0.00 -0.15 0.00 0.00 55.06 51.88 2i8n s HIS 45 Cb 0.14 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 2i8n s HIS 45 CO 0.77 -0.83 1.82 -1.25 -0.85 0.00 0.00 174.74 174.40 2i8n s PRO 46 N 0.53 3.41 -0.07 8.40 0.04 -1.26 -4.95 135.00 141.10 2i8n s PRO 46 Ca 0.14 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 2i8n s PRO 46 Cb -0.22 -4.19 0.03 0.00 0.04 0.00 0.00 34.50 30.16 2i8n s PRO 46 CO -0.06 -1.76 0.16 1.41 0.04 0.00 0.00 177.00 176.79 2i8n s MET 47 N 5.53 0.14 0.20 4.56 1.75 -1.26 -5.13 119.30 125.08 2i8n s MET 47 Ca 0.81 0.34 0.04 0.00 -1.25 0.00 0.00 55.69 55.63 2i8n s MET 47 Cb -0.25 -0.08 -0.05 0.00 2.84 0.00 0.00 34.83 37.29 2i8n s MET 47 CO 0.33 -0.12 -0.04 0.16 -0.65 0.00 0.00 175.02 174.71 2i8n s ASP 48 N 0.83 1.75 0.33 1.11 -4.77 -1.26 -4.89 116.67 109.76 2i8n s ASP 48 Ca -0.06 -1.14 0.05 0.00 -3.30 0.00 0.00 52.55 48.10 2i8n s ASP 48 Cb -0.08 0.01 0.70 0.00 -1.09 0.00 0.00 42.92 42.46 2i8n s ASP 48 CO -0.04 -0.46 1.87 0.24 0.70 0.00 0.00 175.17 177.48 2i8n h MET 49 N 2.60 0.81 -0.70 2.11 2.86 -1.90 -0.49 114.93 120.21 2i8n h MET 49 Ca -0.38 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 2i8n h MET 49 Cb 1.21 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 2i8n h MET 49 CO 0.64 0.53 0.32 1.03 1.06 0.00 0.00 176.91 180.49 2i8n h SER 50 N 0.83 0.92 -0.10 1.22 0.87 -1.88 0.10 113.55 115.52 2i8n h SER 50 Ca 0.45 -0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.67 2i8n h SER 50 Cb 0.57 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2i8n h SER 50 CO -0.22 0.79 -0.86 0.74 -0.53 0.00 0.00 176.83 176.76 2i8n h THR 51 N 1.00 1.28 -0.33 2.23 2.02 -1.59 -2.20 112.91 115.32 2i8n h THR 51 Ca 0.24 -2.06 -0.04 0.00 0.77 0.00 0.00 66.41 65.32 2i8n h THR 51 Cb 0.13 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2i8n h THR 51 CO -0.03 0.65 0.05 0.40 0.37 0.00 0.00 175.52 176.95 2i8n h ILE 52 N 0.50 1.24 -0.40 3.11 2.04 -0.88 -2.81 117.51 120.30 2i8n h ILE 52 Ca -0.08 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 2i8n h ILE 52 Cb 1.49 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2i8n h ILE 52 CO 0.17 0.28 -0.11 0.50 0.00 0.00 0.00 178.15 179.00 2i8n h LYS 53 N 0.38 0.71 -0.96 2.37 3.11 -1.05 -2.82 116.57 118.30 2i8n h LYS 53 Ca 0.10 -0.23 0.06 0.00 -2.81 0.00 0.00 60.65 57.77 2i8n h LYS 53 Cb 0.37 -0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.47 2i8n h LYS 53 CO 0.01 0.80 0.63 1.03 -2.81 0.00 0.00 179.45 179.10 2i8n h SER 54 N 0.65 1.00 -0.04 4.20 0.87 -1.23 -0.27 113.55 118.73 2i8n h SER 54 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2i8n h SER 54 Cb 0.56 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2i8n h SER 54 CO 0.03 0.65 0.03 0.11 -0.53 0.00 0.00 176.83 177.13 2i8n h LYS 55 N 1.14 0.06 -0.38 2.24 1.57 -1.25 -1.31 116.57 118.64 2i8n h LYS 55 Ca 0.41 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2i8n h LYS 55 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2i8n h LYS 55 CO -0.15 0.05 0.19 1.25 -0.57 0.00 0.00 179.45 180.22 2i8n h LEU 56 N 0.04 0.47 -0.89 2.94 5.85 -1.37 0.25 115.31 122.61 2i8n h LEU 56 Ca 0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2i8n h LEU 56 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2i8n h LEU 56 CO -0.00 0.40 0.00 -0.33 -0.34 0.00 0.00 178.44 178.17 2i8n h GLU 57 N 0.53 0.82 -0.59 1.25 5.08 -0.39 -2.47 114.58 118.83 2i8n h GLU 57 Ca 0.14 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2i8n h GLU 57 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2i8n h GLU 57 CO -0.02 0.83 0.00 0.00 -1.00 0.00 0.00 179.01 178.82 2i8n n ALA 58 N -2.48 2.80 -2.16 3.43 0.00 -0.56 -4.88 120.51 116.66 2i8n n ALA 58 Ca 0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 2i8n n ALA 58 Cb 0.30 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2i8n n ALA 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i8n n ARG 59 N 0.36 -1.55 0.08 0.00 0.63 -0.93 -4.88 116.66 110.38 2i8n n ARG 59 Ca 0.12 1.04 -0.12 0.00 -0.92 0.00 0.00 57.85 57.96 2i8n n ARG 59 Cb 0.48 -5.59 -0.07 0.00 0.45 0.00 0.00 32.46 27.74 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2i8n h GLU 60 N 0.00 0.27 -6.58 -0.14 5.08 -1.19 -3.42 114.58 108.60 2i8n h GLU 60 Ca -0.46 -0.35 -0.55 0.00 -1.00 0.00 0.00 59.36 56.99 2i8n h GLU 60 Cb 1.34 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.64 2i8n h GLU 60 CO 0.58 1.09 1.00 0.71 -1.00 0.00 0.00 179.01 181.39 2i8n s TYR 61 N -3.01 2.57 -0.10 4.33 2.02 -1.24 -4.85 117.35 117.06 2i8n s TYR 61 Ca -0.04 0.52 0.16 0.00 -0.37 0.00 0.00 57.07 57.35 2i8n s TYR 61 Cb 0.09 -4.46 -0.19 0.00 -0.40 0.00 0.00 41.96 37.00 2i8n s TYR 61 CO 0.86 -1.63 0.64 0.54 -1.57 0.00 0.00 175.55 174.39 2i8n n ARG 62 N 8.31 0.64 -4.15 -0.62 1.74 -1.26 -4.96 116.66 116.35 2i8n n ARG 62 Ca 0.11 0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 2i8n n ARG 62 Cb 0.49 -1.75 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2i8n n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2i8n s ASP 63 N -5.76 0.49 0.43 0.55 2.15 -1.26 -4.93 116.67 108.35 2i8n s ASP 63 Ca -0.05 -1.16 0.28 0.00 0.43 0.00 0.00 52.55 52.05 2i8n s ASP 63 Cb 0.08 0.25 0.90 0.00 -0.30 0.00 0.00 42.92 43.85 2i8n s ASP 63 CO 0.82 -0.67 1.80 0.00 -0.17 0.00 0.00 175.17 176.94 2i8n h ALA 64 N 2.90 1.00 -0.40 3.66 0.00 -1.94 -3.18 119.26 121.30 2i8n h ALA 64 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2i8n h ALA 64 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2i8n h ALA 64 CO 0.61 0.00 0.17 0.37 0.00 0.00 0.00 179.25 180.41 2i8n h GLN 65 N 0.00 0.59 -0.23 0.00 4.15 -1.99 0.55 115.11 118.18 2i8n h GLN 65 Ca 0.00 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.17 2i8n h GLN 65 Cb 0.69 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2i8n h GLN 65 CO 0.00 0.54 -0.48 0.93 -1.93 0.00 0.00 178.83 177.88 2i8n h GLU 66 N 0.50 0.63 0.31 1.69 5.08 -1.99 -2.34 114.58 118.46 2i8n h GLU 66 Ca 0.13 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2i8n h GLU 66 Cb 0.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i8n h GLU 66 CO -0.01 0.97 -0.15 0.35 -1.00 0.00 0.00 179.01 179.17 2i8n h PHE 67 N 0.50 -0.39 -0.14 4.33 3.04 -1.48 -2.95 116.94 119.84 2i8n h PHE 67 Ca 0.03 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 2i8n h PHE 67 Cb 1.02 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 2i8n h PHE 67 CO 0.05 -0.12 0.04 0.78 -2.02 0.00 0.00 178.31 177.03 2i8n h GLY 68 N -0.62 0.21 1.00 2.40 0.00 -0.94 -2.59 103.07 102.53 2i8n h GLY 68 Ca -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2i8n h GLY 68 CO 0.07 0.09 0.42 0.00 0.00 0.00 0.00 176.54 177.11 2i8n h ALA 69 N 1.85 0.80 -0.46 3.60 0.00 -1.27 -0.14 119.26 123.64 2i8n h ALA 69 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2i8n h ALA 69 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2i8n h ALA 69 CO -0.00 0.22 -0.20 -0.44 0.00 0.00 0.00 179.25 178.83 2i8n h ASP 70 N 0.85 0.95 -0.12 0.00 3.32 -1.31 -1.26 116.42 118.85 2i8n h ASP 70 Ca 0.23 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2i8n h ASP 70 Cb -0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 2i8n h ASP 70 CO -0.05 1.12 0.02 0.58 -1.72 0.00 0.00 179.24 179.18 2i8n h VAL 71 N 0.81 1.22 -0.29 -1.35 2.07 -1.27 -2.54 116.25 114.90 2i8n h VAL 71 Ca 0.11 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2i8n h VAL 71 Cb 0.76 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2i8n h VAL 71 CO 0.06 0.20 -0.08 0.08 0.02 0.00 0.00 177.57 177.85 2i8n h ARG 72 N -0.03 0.46 -0.20 1.57 0.11 -1.01 -2.73 114.38 112.55 2i8n h ARG 72 Ca 0.04 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 2i8n h ARG 72 Cb 0.29 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 2i8n h ARG 72 CO 0.00 0.56 0.12 1.25 0.10 0.00 0.00 179.97 182.00 2i8n h LEU 73 N 0.44 0.25 -0.88 0.08 6.46 -1.08 -2.16 115.31 118.43 2i8n h LEU 73 Ca 0.09 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2i8n h LEU 73 Cb 0.42 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2i8n h LEU 73 CO 0.02 0.25 0.55 -0.03 -0.62 0.00 0.00 178.44 178.61 2i8n h MET 74 N 0.24 1.18 -0.42 1.25 4.05 -1.29 -1.72 114.93 118.21 2i8n h MET 74 Ca 0.07 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2i8n h MET 74 Cb 0.05 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 2i8n h MET 74 CO -0.01 0.81 0.23 0.74 0.23 0.00 0.00 176.91 178.90 2i8n h PHE 75 N 1.20 0.42 -0.64 1.39 0.04 -1.20 0.41 116.94 118.56 2i8n h PHE 75 Ca 0.32 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 2i8n h PHE 75 Cb -0.08 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2i8n h PHE 75 CO -0.00 0.23 0.25 0.77 -0.60 0.00 0.00 178.31 178.95 2i8n h SER 76 N 0.45 0.88 0.09 2.17 0.02 -1.04 -2.62 113.55 113.51 2i8n h SER 76 Ca 0.18 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2i8n h SER 76 Cb 0.06 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2i8n h SER 76 CO -0.11 0.82 -0.41 0.78 -1.14 0.00 0.00 176.83 176.77 2i8n h ASN 77 N 0.90 0.43 -0.32 3.07 4.21 -0.86 -2.94 115.58 120.06 2i8n h ASN 77 Ca 0.21 -0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2i8n h ASN 77 Cb 0.22 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 2i8n h ASN 77 CO -0.02 0.79 0.18 0.00 -1.29 0.00 0.00 177.43 177.09 2i8n h TYR 79 N 0.49 0.53 -0.31 0.00 3.20 -1.30 0.67 116.97 120.25 2i8n h TYR 79 Ca 0.13 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 2i8n h TYR 79 Cb 0.05 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2i8n h TYR 79 CO 0.00 0.37 -0.39 -0.22 -1.64 0.00 0.00 178.16 176.28 2i8n h LYS 80 N 0.56 0.81 0.08 1.82 3.64 -1.46 -3.24 116.57 118.79 2i8n h LYS 80 Ca 0.15 -0.46 -0.25 0.00 -1.27 0.00 0.00 60.65 58.81 2i8n h LYS 80 Cb -0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2i8n h LYS 80 CO -0.03 1.09 -1.13 -0.92 -2.27 0.00 0.00 179.45 176.20 2i8n h TYR 81 N 0.58 0.51 -3.58 1.91 5.03 -1.30 -3.43 116.97 116.68 2i8n h TYR 81 Ca 0.04 -0.34 -0.65 0.00 2.58 0.00 0.00 58.73 60.36 2i8n h TYR 81 Cb 0.98 -0.03 -0.15 0.00 1.55 0.00 0.00 36.73 39.08 2i8n h TYR 81 CO 0.07 1.22 0.08 -0.80 -1.32 0.00 0.00 178.16 177.41 2i8n s ASN 82 N -7.11 6.33 0.73 -2.11 0.01 0.23 -5.06 114.94 107.96 2i8n s ASN 82 Ca -0.04 -0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 51.76 2i8n s ASN 82 Cb 0.08 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.47 2i8n s ASN 82 CO 0.87 -0.68 1.14 -2.16 -1.51 0.00 0.00 177.10 174.77 2i8n s PRO 83 N 2.68 2.28 0.69 -0.60 0.04 -1.26 -4.66 135.00 134.17 2i8n s PRO 83 Ca 0.22 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 2i8n s PRO 83 Cb -0.15 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2i8n s PRO 83 CO 0.17 -1.66 1.15 -1.25 0.04 0.00 0.00 177.00 175.44 2i8n s PRO 84 N -4.28 2.54 -1.34 0.56 0.04 -1.26 -3.58 135.00 127.68 2i8n s PRO 84 Ca 0.68 1.53 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 2i8n s PRO 84 Cb -0.22 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2i8n s PRO 84 CO 0.48 -1.48 0.85 -3.47 0.04 0.00 0.00 177.00 173.41 2i8n n ASP 85 N -2.53 -5.93 -4.39 6.66 2.03 -1.26 -5.01 116.55 106.12 2i8n n ASP 85 Ca 0.11 -0.39 -0.29 0.00 0.52 0.00 0.00 54.79 54.75 2i8n n ASP 85 Cb 0.51 -4.65 -0.13 0.00 -0.72 0.00 0.00 41.12 36.14 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2i8n s HIS 86 N -3.22 2.31 0.20 -0.67 2.46 -1.23 -5.04 115.29 110.09 2i8n s HIS 86 Ca 0.42 -0.38 -0.10 0.00 0.47 0.00 0.00 55.06 55.47 2i8n s HIS 86 Cb -0.18 -1.24 0.20 0.00 -0.13 0.00 0.00 32.58 31.23 2i8n s HIS 86 CO 0.52 0.35 1.82 0.93 -2.47 0.00 0.00 174.74 175.89 2i8n h GLU 87 N 3.83 0.70 -0.76 2.88 5.08 -1.95 -2.06 114.58 122.30 2i8n h GLU 87 Ca -0.51 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 57.89 2i8n h GLU 87 Cb 1.17 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2i8n h GLU 87 CO 0.40 0.46 0.50 -0.24 -1.00 0.00 0.00 179.01 179.13 2i8n h VAL 88 N 0.72 0.98 -0.52 3.13 3.04 -1.96 -1.84 116.25 119.79 2i8n h VAL 88 Ca 0.28 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2i8n h VAL 88 Cb 0.11 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.55 2i8n h VAL 88 CO -0.15 0.13 0.31 0.58 -1.01 0.00 0.00 177.57 177.44 2i8n h VAL 89 N 0.73 1.16 -0.75 1.51 2.07 -1.66 -2.25 116.25 117.06 2i8n h VAL 89 Ca 0.34 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2i8n h VAL 89 Cb 0.37 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2i8n h VAL 89 CO -0.12 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.13 2i8n h ALA 90 N 1.15 1.67 -0.50 1.67 0.00 -1.25 -1.85 119.26 120.15 2i8n h ALA 90 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2i8n h ALA 90 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2i8n h ALA 90 CO -0.03 0.22 0.23 0.52 0.00 0.00 0.00 179.25 180.19 2i8n h MET 91 N 0.80 0.72 -0.71 0.00 2.86 -1.21 -1.95 114.93 115.45 2i8n h MET 91 Ca 0.32 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 2i8n h MET 91 Cb 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2i8n h MET 91 CO -0.11 0.61 0.23 0.00 1.06 0.00 0.00 176.91 178.70 2i8n h ALA 92 N 1.07 0.93 -0.18 6.32 0.00 -1.08 -1.28 119.26 125.04 2i8n h ALA 92 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2i8n h ALA 92 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2i8n h ALA 92 CO -0.02 0.60 0.10 0.00 0.00 0.00 0.00 179.25 179.93 2i8n h ARG 93 N 1.04 0.26 -0.70 0.00 -0.00 -1.16 0.17 114.38 114.00 2i8n h ARG 93 Ca 0.23 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.64 2i8n h ARG 93 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.19 2i8n h ARG 93 CO -0.01 0.26 0.31 -0.22 0.00 0.00 0.00 179.97 180.31 2i8n h LYS 94 N 0.18 1.03 -0.40 0.04 3.64 -1.24 0.49 116.57 120.31 2i8n h LYS 94 Ca 0.06 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 2i8n h LYS 94 Cb 0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2i8n h LYS 94 CO -0.01 0.83 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.73 2i8n h LEU 95 N 0.98 0.78 -0.30 5.20 3.38 -1.02 -2.27 115.31 122.07 2i8n h LEU 95 Ca 0.24 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2i8n h LEU 95 Cb 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2i8n h LEU 95 CO -0.02 0.97 -0.34 -0.61 0.09 0.00 0.00 178.44 178.52 2i8n h GLN 96 N 0.68 0.77 -0.29 1.13 4.15 -0.35 -1.45 115.11 119.75 2i8n h GLN 96 Ca 0.10 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 2i8n h GLN 96 Cb 0.70 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2i8n h GLN 96 CO 0.05 1.05 0.18 0.22 -1.93 0.00 0.00 178.83 178.40 2i8n h ASP 97 N 0.53 0.35 -0.36 -0.69 1.82 -0.81 0.25 116.42 117.52 2i8n h ASP 97 Ca 0.04 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 2i8n h ASP 97 Cb 0.92 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2i8n h ASP 97 CO 0.08 0.29 -0.14 1.62 -1.61 0.00 0.00 179.24 179.48 2i8n h VAL 98 N 0.38 1.28 0.12 2.25 3.04 -1.43 -0.59 116.25 121.31 2i8n h VAL 98 Ca 0.11 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.55 2i8n h VAL 98 Cb -0.00 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2i8n h VAL 98 CO -0.02 0.41 -0.06 0.15 -1.01 0.00 0.00 177.57 177.04 2i8n h PHE 99 N 0.51 -0.15 -0.57 3.17 3.04 -1.11 -1.15 116.94 120.67 2i8n h PHE 99 Ca 0.08 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 2i8n h PHE 99 Cb 0.67 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 2i8n h PHE 99 CO 0.06 0.09 0.36 1.49 -2.02 0.00 0.00 178.31 178.28 2i8n h GLU 100 N -0.38 0.77 -0.33 1.11 4.22 -0.54 0.17 114.58 119.60 2i8n h GLU 100 Ca -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2i8n h GLU 100 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2i8n h GLU 100 CO 0.03 0.54 0.22 0.52 -2.18 0.00 0.00 179.01 178.14 2i8n h MET 101 N 0.78 0.43 -0.30 1.92 2.86 -1.05 0.35 114.93 119.91 2i8n h MET 101 Ca 0.21 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2i8n h MET 101 Cb -0.04 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2i8n h MET 101 CO -0.04 0.29 -0.11 0.00 1.06 0.00 0.00 176.91 178.11 2i8n h ARG 102 N 0.44 0.61 -0.52 1.72 -0.00 -0.96 -0.74 114.38 114.93 2i8n h ARG 102 Ca 0.12 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.98 59.30 2i8n h ARG 102 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.88 2i8n h ARG 102 CO -0.03 0.82 0.14 0.35 0.00 0.00 0.00 179.97 181.25 2i8n h PHE 103 N 0.36 0.86 -0.14 3.04 3.57 -0.49 -1.40 116.94 122.74 2i8n h PHE 103 Ca 0.07 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2i8n h PHE 103 Cb 0.61 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2i8n h PHE 103 CO 0.06 0.75 -0.34 0.00 -2.23 0.00 0.00 178.31 176.54 2i8n h ALA 104 N 1.01 1.16 -0.22 2.41 0.00 -0.27 -1.08 119.26 122.27 2i8n h ALA 104 Ca 0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2i8n h ALA 104 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2i8n h ALA 104 CO -0.00 0.55 -0.23 -0.22 0.00 0.00 0.00 179.25 179.35 2i8n h LYS 105 N 0.24 0.55 -0.19 0.00 3.64 -0.84 0.62 116.57 120.58 2i8n h LYS 105 Ca 0.03 -0.29 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 2i8n h LYS 105 Cb 0.73 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2i8n h LYS 105 CO 0.06 0.88 -0.41 0.00 -2.27 0.00 0.00 179.45 177.71 2i8n h MET 106 N 0.23 0.45 0.17 1.90 -0.00 -1.16 -3.26 114.93 113.25 2i8n h MET 106 Ca 0.03 -0.23 -0.28 0.00 -0.00 0.00 0.00 59.70 59.23 2i8n h MET 106 Cb 0.79 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.40 2i8n h MET 106 CO 0.06 0.79 -1.35 -0.07 -0.00 0.00 0.00 176.91 176.34 2i8n h LEU 107 N 0.37 0.55 -1.81 -0.10 3.38 -1.18 -3.52 115.31 113.01 2i8n h LEU 107 Ca 0.03 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2i8n h LEU 107 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2i8n h LEU 107 CO 0.07 1.62 0.00 1.67 0.09 0.00 0.00 178.44 181.89