#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 0.83 -0.37 5.31 4.20 -2.03 -1.16 115.11 121.89 2i8n h GLN 2 Ca 0.00 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2i8n h GLN 2 Cb 0.00 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2i8n h GLN 2 CO 0.00 0.55 0.20 -0.07 -0.67 0.00 0.00 178.83 178.85 2i8n h LEU 3 N 0.86 0.32 -0.53 1.46 3.38 -2.00 -0.29 115.31 118.52 2i8n h LEU 3 Ca 0.24 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 2i8n h LEU 3 Cb -0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2i8n h LEU 3 CO -0.05 0.23 -0.44 0.11 0.09 0.00 0.00 178.44 178.38 2i8n h LYS 4 N 0.42 0.70 -0.81 1.13 1.57 -1.90 -3.12 116.57 114.55 2i8n h LYS 4 Ca 0.15 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2i8n h LYS 4 Cb 0.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2i8n h LYS 4 CO -0.08 1.00 0.37 0.00 -0.57 0.00 0.00 179.45 180.16 2i8n h SER 7 N 1.05 0.92 -0.49 0.00 0.87 -1.41 -1.98 113.55 112.51 2i8n h SER 7 Ca 0.29 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2i8n h SER 7 Cb -0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 2i8n h SER 7 CO -0.07 0.61 0.31 1.23 -0.53 0.00 0.00 176.83 178.38 2i8n h GLY 8 N 1.06 0.69 0.98 5.77 0.00 -1.34 0.56 103.07 110.79 2i8n h GLY 8 Ca 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 2i8n h GLY 8 CO -0.13 0.22 0.16 -2.22 0.00 0.00 0.00 176.54 174.58 2i8n h ILE 9 N 0.63 1.23 -0.48 2.60 2.04 -1.42 -2.59 117.51 119.53 2i8n h ILE 9 Ca 0.19 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2i8n h ILE 9 Cb -0.04 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2i8n h ILE 9 CO -0.06 0.29 0.18 -0.07 0.00 0.00 0.00 178.15 178.50 2i8n h LEU 10 N 0.72 0.63 -2.09 1.44 3.38 -1.01 -2.34 115.31 116.04 2i8n h LEU 10 Ca 0.17 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2i8n h LEU 10 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2i8n h LEU 10 CO -0.00 0.58 0.14 0.11 0.09 0.00 0.00 178.44 179.35 2i8n h LYS 11 N 0.69 0.00 -0.76 1.13 1.57 -0.48 -1.66 116.57 117.06 2i8n h LYS 11 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2i8n h LYS 11 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2i8n h LYS 11 CO -0.01 0.00 0.50 0.93 -0.57 0.00 0.00 179.45 180.30 2i8n h GLU 12 N 0.00 0.88 -0.71 3.15 5.08 -1.40 0.60 114.58 122.17 2i8n h GLU 12 Ca 0.08 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2i8n h GLU 12 Cb 0.35 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 12 CO -0.00 0.58 0.47 0.52 -1.00 0.00 0.00 179.01 179.58 2i8n h MET 13 N 0.90 0.93 -0.25 2.33 2.86 -1.45 -1.21 114.93 119.04 2i8n h MET 13 Ca 0.31 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2i8n h MET 13 Cb 0.10 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2i8n h MET 13 CO -0.09 0.61 -0.01 0.34 1.06 0.00 0.00 176.91 178.82 2i8n n PHE 14 N -4.43 0.88 -0.91 -0.22 -0.00 -0.50 -1.97 117.46 110.31 2i8n n PHE 14 Ca 0.08 -1.02 0.08 0.00 -0.00 0.00 0.00 57.45 56.60 2i8n n PHE 14 Cb 0.04 -0.33 0.21 0.00 -0.00 0.00 0.00 39.48 39.41 2i8n n PHE 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i8n n ALA 15 N -0.72 2.72 -2.08 3.13 0.00 0.20 -4.95 120.51 118.81 2i8n n ALA 15 Ca 0.23 -2.25 -0.11 0.00 0.00 0.00 0.00 53.44 51.31 2i8n n ALA 15 Cb 0.90 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.65 -0.87 -0.01 0.00 5.02 -1.25 -4.89 118.16 115.51 2i8n n LYS 16 Ca 0.19 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 57.05 2i8n n LYS 16 Cb 0.77 -4.68 -0.02 0.00 -0.02 0.00 0.00 35.03 31.08 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i8n n LYS 17 N -2.15 2.87 -1.36 1.97 5.02 -1.03 -4.83 118.16 118.65 2i8n n LYS 17 Ca -0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.16 2i8n n LYS 17 Cb 0.57 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 2i8n n LYS 17 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2i8n n HIS 18 N -2.20 -0.01 0.03 2.13 -0.00 -0.50 -4.92 115.22 109.75 2i8n n HIS 18 Ca -0.05 -0.57 -0.20 0.00 0.46 0.00 0.00 57.72 57.36 2i8n n HIS 18 Cb 0.59 0.15 -0.10 0.00 -0.12 0.00 0.00 29.99 30.50 2i8n n HIS 18 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2i8n h ALA 19 N 0.64 0.12 -0.26 1.57 0.00 -1.55 -0.65 119.26 119.14 2i8n h ALA 19 Ca -0.37 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 53.72 2i8n h ALA 19 Cb 1.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2i8n h ALA 19 CO -0.06 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 179.34 2i8n h ALA 20 N 0.39 0.71 0.05 0.00 0.00 -1.91 0.11 119.26 118.61 2i8n h ALA 20 Ca -0.12 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 2i8n h ALA 20 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2i8n h ALA 20 CO 0.19 0.67 -1.04 1.88 0.00 0.00 0.00 179.25 180.94 2i8n h TYR 21 N 0.53 0.43 -0.51 0.00 0.05 -1.93 -3.26 116.97 112.27 2i8n h TYR 21 Ca 0.03 -0.27 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 2i8n h TYR 21 Cb 1.00 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 2i8n h TYR 21 CO 0.05 1.14 0.04 0.00 -1.05 0.00 0.00 178.16 178.34 2i8n n ALA 22 N -2.50 3.78 0.14 3.88 0.00 -0.25 -4.61 120.51 120.95 2i8n n ALA 22 Ca -0.06 -2.13 -0.14 0.00 0.00 0.00 0.00 53.44 51.11 2i8n n ALA 22 Cb 0.91 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 3.14 -0.32 0.00 0.00 7.01 -0.82 -3.02 115.95 121.94 2i8n h TRP 23 Ca 0.05 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2i8n h TRP 23 Cb 1.90 0.10 0.00 0.00 -2.10 0.00 0.00 29.16 29.06 2i8n h TRP 23 CO 0.97 -0.03 0.00 -0.35 -2.79 0.00 0.00 178.44 176.24 2i8n n PRO 24 N -5.13 0.39 -1.43 2.65 -0.04 -1.26 -3.51 135.00 126.66 2i8n n PRO 24 Ca -0.09 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.11 2i8n n PRO 24 Cb 0.23 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.28 2i8n n PRO 24 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2i8n n PHE 25 N -1.29 2.87 0.05 0.54 3.01 -1.14 -4.58 117.46 116.91 2i8n n PHE 25 Ca 0.13 -2.55 0.00 0.00 1.01 0.00 0.00 57.45 56.04 2i8n n PHE 25 Cb 0.22 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.67 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2i8n n TYR 26 N -0.92 -0.15 -2.30 1.38 4.19 -1.23 -4.46 117.16 113.67 2i8n n TYR 26 Ca 0.55 0.03 -0.37 0.00 3.31 0.00 0.00 57.90 61.41 2i8n n TYR 26 Cb 0.89 0.04 -0.02 0.00 0.49 0.00 0.00 39.34 40.75 2i8n n TYR 26 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2i8n s LYS 27 N -2.00 3.90 0.77 2.98 -2.85 -1.26 -2.03 119.74 119.24 2i8n s LYS 27 Ca 0.00 1.76 -0.13 0.00 -1.00 0.00 0.00 55.97 56.60 2i8n s LYS 27 Cb 0.00 -2.51 0.18 0.00 -2.06 0.00 0.00 37.83 33.44 2i8n s LYS 27 CO 0.00 -0.43 0.92 -0.35 0.10 0.00 0.00 175.35 175.59 2i8n n PRO 28 N -0.26 -1.43 -3.68 1.78 -0.04 -1.26 -4.73 135.00 125.38 2i8n n PRO 28 Ca 0.06 -1.43 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 2i8n n PRO 28 Cb 0.48 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.81 2i8n n PRO 28 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2i8n n VAL 29 N -3.60 2.76 -1.56 0.52 0.24 -1.26 -5.04 118.33 110.38 2i8n n VAL 29 Ca 0.12 -5.08 -0.40 0.00 -2.04 0.00 0.00 64.34 56.94 2i8n n VAL 29 Cb 0.42 -2.33 -0.04 0.00 -1.47 0.00 0.00 33.84 30.42 2i8n n VAL 29 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2i8n n ASP 30 N 2.18 2.61 -0.30 -1.34 8.00 -1.26 -4.83 116.55 121.60 2i8n n ASP 30 Ca 0.22 -0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.49 2i8n n ASP 30 Cb 0.37 -1.54 0.09 0.00 -0.02 0.00 0.00 41.12 40.01 2i8n n ASP 30 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2i8n h VAL 31 N 7.48 1.26 -0.10 2.53 3.04 -1.96 0.45 116.25 128.96 2i8n h VAL 31 Ca -0.30 -0.73 -0.08 0.00 -1.01 0.00 0.00 66.70 64.57 2i8n h VAL 31 Cb 1.26 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2i8n h VAL 31 CO 1.08 0.31 -0.27 -0.33 -1.01 0.00 0.00 177.57 177.36 2i8n h GLU 32 N 1.20 0.35 -0.04 4.17 5.08 -1.92 0.29 114.58 123.71 2i8n h GLU 32 Ca 0.29 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2i8n h GLU 32 Cb 0.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2i8n h GLU 32 CO -0.04 0.87 -0.10 0.00 -1.00 0.00 0.00 179.01 178.75 2i8n h ALA 33 N 0.48 0.06 0.00 3.43 0.00 -1.94 -3.29 119.26 118.01 2i8n h ALA 33 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2i8n h ALA 33 Cb 0.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2i8n h ALA 33 CO 0.06 -0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 178.90 2i8n h LEU 34 N -0.41 0.00 -2.62 0.00 3.38 -0.23 -3.49 115.31 111.94 2i8n h LEU 34 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2i8n h LEU 34 Cb 0.70 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.53 2i8n h LEU 34 CO 0.02 0.15 -0.36 0.61 0.09 0.00 0.00 178.44 178.95 2i8n n GLY 35 N 1.15 0.05 2.49 0.83 0.00 0.95 -5.02 105.19 105.63 2i8n n GLY 35 Ca 0.03 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.24 1.40 0.00 0.99 -0.00 -0.74 -4.92 117.00 111.48 2i8n n LEU 36 Ca -0.04 -4.87 0.10 0.00 -0.00 0.00 0.00 56.01 51.20 2i8n n LEU 36 Cb 0.55 -0.01 0.51 0.00 -0.00 0.00 0.00 43.42 44.48 2i8n n LEU 36 CO 0.25 1.92 0.83 1.41 -0.00 0.00 0.00 177.39 181.79 2i8n n HIS 37 N 1.91 0.00 0.24 1.47 8.25 -1.26 -2.79 115.22 123.04 2i8n n HIS 37 Ca 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.85 2i8n n HIS 37 Cb 0.44 -0.31 0.37 0.00 1.12 0.00 0.00 29.99 31.61 2i8n n HIS 37 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2i8n h ASP 38 N 0.00 0.00 -0.88 0.41 5.19 -1.98 -3.24 116.42 115.92 2i8n h ASP 38 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2i8n h ASP 38 Cb 0.21 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.67 2i8n h ASP 38 CO 0.00 0.00 0.56 0.22 -3.12 0.00 0.00 179.24 176.90 2i8n h TYR 39 N 0.00 1.05 -0.73 4.55 5.03 -1.89 -0.60 116.97 124.39 2i8n h TYR 39 Ca -0.00 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 2i8n h TYR 39 Cb 0.81 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 2i8n h TYR 39 CO 0.00 0.58 0.23 0.00 -1.32 0.00 0.00 178.16 177.65 2i8n h ASP 41 N 1.08 0.62 0.07 0.00 1.82 -1.50 -2.92 116.42 115.58 2i8n h ASP 41 Ca 0.23 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2i8n h ASP 41 Cb 0.31 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2i8n h ASP 41 CO -0.01 0.69 -0.03 0.40 -1.61 0.00 0.00 179.24 178.68 2i8n h ILE 42 N 0.52 1.23 -3.41 2.25 2.04 -0.94 -3.42 117.51 115.77 2i8n h ILE 42 Ca 0.13 -1.26 -0.60 0.00 1.00 0.00 0.00 64.86 64.13 2i8n h ILE 42 Cb 0.32 2.01 -0.39 0.00 -0.74 0.00 0.00 36.82 38.02 2i8n h ILE 42 CO 0.00 0.30 -0.76 -0.63 0.00 0.00 0.00 178.15 177.06 2i8n s ILE 43 N -3.76 1.30 0.52 -0.67 1.01 0.13 -4.99 121.20 114.74 2i8n s ILE 43 Ca -0.15 -1.43 0.17 0.00 0.00 0.00 0.00 60.65 59.24 2i8n s ILE 43 Cb 0.01 -1.83 0.29 0.00 0.01 0.00 0.00 42.46 40.94 2i8n s ILE 43 CO 0.61 -0.44 2.13 0.07 0.00 0.00 0.00 174.94 177.31 2i8n h LYS 44 N 7.98 0.00 -3.36 2.79 2.10 -1.72 -3.28 116.57 121.08 2i8n h LYS 44 Ca -0.13 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.81 2i8n h LYS 44 Cb 1.04 0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 32.02 2i8n h LYS 44 CO 0.45 0.00 -0.10 -1.58 -2.00 0.00 0.00 179.45 176.22 2i8n s HIS 45 N -5.05 3.86 0.29 0.07 2.46 -1.26 -4.98 115.29 110.67 2i8n s HIS 45 Ca -0.05 -2.97 -0.29 0.00 0.47 0.00 0.00 55.06 52.21 2i8n s HIS 45 Cb 0.17 -3.27 -0.10 0.00 -0.13 0.00 0.00 32.58 29.26 2i8n s HIS 45 CO 0.67 -0.76 1.23 -1.25 -2.47 0.00 0.00 174.74 172.16 2i8n s PRO 46 N -1.20 4.47 -0.13 2.88 0.04 -1.24 -5.05 135.00 134.78 2i8n s PRO 46 Ca 0.26 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 2i8n s PRO 46 Cb -0.09 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.35 2i8n s PRO 46 CO -0.11 -0.05 0.34 1.41 0.04 0.00 0.00 177.00 178.63 2i8n s MET 47 N -1.38 0.39 0.15 4.56 1.75 -1.26 -5.10 119.30 118.42 2i8n s MET 47 Ca 0.48 0.51 0.01 0.00 -1.25 0.00 0.00 55.69 55.44 2i8n s MET 47 Cb -0.36 0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.42 2i8n s MET 47 CO 0.46 -0.06 0.02 -0.51 -0.65 0.00 0.00 175.02 174.27 2i8n s ASP 48 N 0.35 0.89 0.28 1.11 1.01 -1.26 -5.00 116.67 114.04 2i8n s ASP 48 Ca -0.01 -1.17 0.01 0.00 0.71 0.00 0.00 52.55 52.08 2i8n s ASP 48 Cb -0.03 0.18 0.59 0.00 1.01 0.00 0.00 42.92 44.66 2i8n s ASP 48 CO -0.01 -0.62 1.78 -0.03 0.21 0.00 0.00 175.17 176.50 2i8n h MET 49 N 2.77 0.71 -0.59 8.23 4.05 -1.78 0.38 114.93 128.70 2i8n h MET 49 Ca -0.36 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 58.94 2i8n h MET 49 Cb 1.20 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.82 2i8n h MET 49 CO 0.62 0.47 0.04 1.03 0.23 0.00 0.00 176.91 179.30 2i8n h SER 50 N 0.73 0.95 -0.19 1.39 0.87 -1.72 -0.57 113.55 115.01 2i8n h SER 50 Ca 0.50 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 2i8n h SER 50 Cb 0.68 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2i8n h SER 50 CO -0.35 0.98 -0.38 0.74 -0.53 0.00 0.00 176.83 177.30 2i8n h THR 51 N 0.92 1.33 -0.33 2.23 2.02 -1.28 -2.00 112.91 115.80 2i8n h THR 51 Ca 0.18 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.71 2i8n h THR 51 Cb 0.47 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2i8n h THR 51 CO 0.02 0.50 0.06 0.40 0.37 0.00 0.00 175.52 176.86 2i8n h ILE 52 N 0.26 1.23 -0.32 3.11 2.04 -0.27 -2.89 117.51 120.68 2i8n h ILE 52 Ca 0.01 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2i8n h ILE 52 Cb 0.98 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2i8n h ILE 52 CO 0.08 0.27 -0.09 0.11 0.00 0.00 0.00 178.15 178.53 2i8n h LYS 53 N 0.38 0.53 -0.99 2.37 1.57 -1.16 -2.78 116.57 116.50 2i8n h LYS 53 Ca 0.10 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2i8n h LYS 53 Cb 0.35 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 2i8n h LYS 53 CO 0.01 0.62 0.64 1.03 -0.57 0.00 0.00 179.45 181.17 2i8n h SER 54 N 0.49 1.03 -0.23 0.86 0.87 -1.15 0.24 113.55 115.65 2i8n h SER 54 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2i8n h SER 54 Cb 0.46 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2i8n h SER 54 CO 0.02 0.67 0.15 0.11 -0.53 0.00 0.00 176.83 177.25 2i8n h LYS 55 N 1.17 0.31 -0.19 2.24 1.79 -1.35 -1.03 116.57 119.51 2i8n h LYS 55 Ca 0.42 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.78 2i8n h LYS 55 Cb 0.13 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2i8n h LYS 55 CO -0.16 0.22 -0.26 1.25 -1.08 0.00 0.00 179.45 179.42 2i8n h LEU 56 N 0.31 0.36 -0.64 2.94 5.85 -1.37 0.31 115.31 123.07 2i8n h LEU 56 Ca 0.09 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2i8n h LEU 56 Cb -0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2i8n h LEU 56 CO -0.02 0.62 0.19 -0.33 -0.34 0.00 0.00 178.44 178.57 2i8n h GLU 57 N 0.32 0.99 -0.58 1.25 5.08 0.04 -2.54 114.58 119.15 2i8n h GLU 57 Ca 0.05 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2i8n h GLU 57 Cb 0.63 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2i8n h GLU 57 CO 0.05 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 178.93 2i8n n ALA 58 N -2.41 2.81 -2.23 3.43 0.00 -0.44 -4.89 120.51 116.78 2i8n n ALA 58 Ca 0.04 -0.75 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 2i8n n ALA 58 Cb 0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 2i8n n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i8n n ARG 59 N 0.40 -1.68 0.09 0.00 5.12 -0.96 -4.87 116.66 114.76 2i8n n ARG 59 Ca 0.12 1.01 -0.11 0.00 -1.93 0.00 0.00 57.85 56.94 2i8n n ARG 59 Cb 0.50 -5.61 -0.10 0.00 -1.16 0.00 0.00 32.46 26.09 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2i8n h GLU 60 N 0.00 0.17 -6.02 5.56 5.08 -0.62 -3.43 114.58 115.32 2i8n h GLU 60 Ca -0.46 -0.25 -0.54 0.00 -1.00 0.00 0.00 59.36 57.11 2i8n h GLU 60 Cb 1.34 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2i8n h GLU 60 CO 0.57 1.08 1.41 0.71 -1.00 0.00 0.00 179.01 181.77 2i8n s TYR 61 N -2.83 1.51 0.46 4.33 2.02 -1.16 -4.84 117.35 116.84 2i8n s TYR 61 Ca -0.02 0.83 0.11 0.00 -0.37 0.00 0.00 57.07 57.62 2i8n s TYR 61 Cb 0.09 -3.97 1.03 0.00 -0.40 0.00 0.00 41.96 38.71 2i8n s TYR 61 CO 0.85 -2.93 2.09 -0.09 -1.57 0.00 0.00 175.55 173.89 2i8n h ARG 62 N 15.08 0.28 -2.70 -0.62 2.43 -1.95 -3.46 114.38 123.45 2i8n h ARG 62 Ca -0.31 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.91 2i8n h ARG 62 Cb 1.20 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 2i8n h ARG 62 CO 1.09 0.20 0.34 -0.51 -1.51 0.00 0.00 179.97 179.58 2i8n s ASP 63 N -6.87 -0.35 0.57 -3.80 1.01 -1.26 -5.03 116.67 100.95 2i8n s ASP 63 Ca -0.07 -0.27 0.35 0.00 0.71 0.00 0.00 52.55 53.27 2i8n s ASP 63 Cb 0.17 0.57 1.53 0.00 1.01 0.00 0.00 42.92 46.20 2i8n s ASP 63 CO 0.70 -1.00 2.04 0.00 0.21 0.00 0.00 175.17 177.13 2i8n h ALA 64 N 2.00 1.00 -0.71 5.23 0.00 -1.92 -2.89 119.26 121.98 2i8n h ALA 64 Ca -0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2i8n h ALA 64 Cb 1.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2i8n h ALA 64 CO 0.29 0.01 0.31 1.96 0.00 0.00 0.00 179.25 181.82 2i8n h GLN 65 N 0.00 1.04 -0.17 0.00 1.08 -2.00 -2.40 115.11 112.66 2i8n h GLN 65 Ca -0.00 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 56.90 2i8n h GLN 65 Cb 0.44 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2i8n h GLN 65 CO 0.00 0.84 -0.44 0.93 -0.95 0.00 0.00 178.83 179.21 2i8n h GLU 66 N 1.00 0.40 0.32 1.46 5.08 -1.93 -2.84 114.58 118.06 2i8n h GLU 66 Ca 0.24 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2i8n h GLU 66 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2i8n h GLU 66 CO -0.03 0.76 -0.19 0.35 -1.00 0.00 0.00 179.01 178.91 2i8n h PHE 67 N 0.33 -0.49 -0.57 4.33 3.04 -1.45 -2.35 116.94 119.78 2i8n h PHE 67 Ca 0.02 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2i8n h PHE 67 Cb 0.90 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 2i8n h PHE 67 CO 0.03 -0.29 0.34 0.78 -2.02 0.00 0.00 178.31 177.14 2i8n h GLY 68 N -0.48 0.83 1.35 2.40 0.00 -1.46 -2.11 103.07 103.59 2i8n h GLY 68 Ca -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2i8n h GLY 68 CO 0.04 0.33 0.39 0.00 0.00 0.00 0.00 176.54 177.29 2i8n h ALA 69 N 1.58 1.47 0.04 3.60 0.00 -1.23 0.35 119.26 125.08 2i8n h ALA 69 Ca 0.21 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 2i8n h ALA 69 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.53 2i8n h ALA 69 CO -0.04 0.46 -1.10 -0.44 0.00 0.00 0.00 179.25 178.14 2i8n h ASP 70 N 0.88 0.82 -0.13 0.00 3.32 -0.89 -2.92 116.42 117.50 2i8n h ASP 70 Ca 0.23 -0.69 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 2i8n h ASP 70 Cb -0.03 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 2i8n h ASP 70 CO -0.04 1.50 -0.02 0.58 -1.72 0.00 0.00 179.24 179.53 2i8n h VAL 71 N 0.32 1.28 -0.42 -1.35 2.07 -1.09 -1.17 116.25 115.89 2i8n h VAL 71 Ca -0.14 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.48 2i8n h VAL 71 Cb 1.75 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 2i8n h VAL 71 CO 0.21 0.27 0.28 0.08 0.02 0.00 0.00 177.57 178.43 2i8n h ARG 72 N -0.06 0.48 -0.20 1.57 0.11 -1.04 -1.36 114.38 113.87 2i8n h ARG 72 Ca 0.03 -0.03 -0.16 0.00 0.10 0.00 0.00 59.98 59.93 2i8n h ARG 72 Cb 0.42 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2i8n h ARG 72 CO 0.01 0.32 -0.48 1.25 0.10 0.00 0.00 179.97 181.16 2i8n h LEU 73 N 0.49 0.78 -0.34 0.08 6.46 -1.34 -3.10 115.31 118.34 2i8n h LEU 73 Ca 0.17 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2i8n h LEU 73 Cb 0.06 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 2i8n h LEU 73 CO -0.04 1.20 0.22 -0.03 -0.62 0.00 0.00 178.44 179.17 2i8n h MET 74 N 0.39 0.45 -0.95 1.25 4.05 -0.46 -1.60 114.93 118.05 2i8n h MET 74 Ca -0.00 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.48 2i8n h MET 74 Cb 1.10 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.72 2i8n h MET 74 CO 0.11 0.31 0.60 0.74 0.23 0.00 0.00 176.91 178.89 2i8n h PHE 75 N 0.45 1.09 -0.42 1.39 0.04 -1.32 0.69 116.94 118.86 2i8n h PHE 75 Ca 0.12 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 2i8n h PHE 75 Cb -0.03 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.76 2i8n h PHE 75 CO -0.05 0.48 -0.14 1.03 -0.60 0.00 0.00 178.31 179.04 2i8n h SER 76 N 1.00 0.85 0.04 2.17 0.87 -1.39 -2.87 113.55 114.23 2i8n h SER 76 Ca 0.45 -0.38 -0.20 0.00 -1.23 0.00 0.00 61.79 60.42 2i8n h SER 76 Cb 0.34 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2i8n h SER 76 CO -0.23 1.04 -0.75 0.78 -0.53 0.00 0.00 176.83 177.14 2i8n h ASN 77 N 0.66 0.73 -0.66 6.23 2.35 -0.45 -3.18 115.58 121.26 2i8n h ASN 77 Ca 0.10 -0.48 0.04 0.00 -0.55 0.00 0.00 56.30 55.41 2i8n h ASN 77 Cb 0.69 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 2i8n h ASN 77 CO 0.05 1.25 0.44 0.00 -1.65 0.00 0.00 177.43 177.52 2i8n h TYR 79 N 0.76 0.22 -0.53 0.00 3.20 -1.48 -0.08 116.97 119.06 2i8n h TYR 79 Ca 0.27 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2i8n h TYR 79 Cb 0.12 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2i8n h TYR 79 CO -0.00 0.13 0.22 -0.22 -1.64 0.00 0.00 178.16 176.65 2i8n h LYS 80 N 0.23 0.75 0.12 1.82 3.64 -1.32 -2.87 116.57 118.94 2i8n h LYS 80 Ca 0.12 -0.10 -0.31 0.00 -1.27 0.00 0.00 60.65 59.08 2i8n h LYS 80 Cb 0.18 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2i8n h LYS 80 CO -0.02 0.61 -1.56 -0.92 -2.27 0.00 0.00 179.45 175.29 2i8n h TYR 81 N 0.75 0.46 -2.81 1.91 5.03 -1.30 -3.46 116.97 117.55 2i8n h TYR 81 Ca 0.18 -0.33 -0.54 0.00 2.58 0.00 0.00 58.73 60.62 2i8n h TYR 81 Cb 0.13 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.40 2i8n h TYR 81 CO 0.01 1.40 0.91 -0.80 -1.32 0.00 0.00 178.16 178.35 2i8n s ASN 82 N -6.97 6.72 0.89 -2.11 -0.87 -0.16 -4.98 114.94 107.45 2i8n s ASN 82 Ca -0.10 2.32 -0.13 0.00 -1.57 0.00 0.00 52.86 53.39 2i8n s ASN 82 Cb 0.07 -2.56 0.06 0.00 -0.02 0.00 0.00 41.25 38.79 2i8n s ASN 82 CO 0.85 -0.80 0.70 -2.65 -2.57 0.00 0.00 177.10 172.63 2i8n n PRO 83 N 5.32 -0.17 -2.38 -0.60 -0.02 -1.26 -4.87 135.00 131.01 2i8n n PRO 83 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 2i8n n PRO 83 Cb 0.42 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2i8n n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2i8n s PRO 84 N -3.79 4.14 -0.63 0.52 0.04 -1.26 -4.00 135.00 130.02 2i8n s PRO 84 Ca 0.63 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 2i8n s PRO 84 Cb -0.25 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2i8n s PRO 84 CO 0.62 -0.83 0.61 -3.47 0.04 0.00 0.00 177.00 173.96 2i8n n ASP 85 N 6.95 -7.07 -4.20 6.66 -0.08 -1.26 -5.06 116.55 112.49 2i8n n ASP 85 Ca 0.15 -0.03 -0.14 0.00 -1.51 0.00 0.00 54.79 53.25 2i8n n ASP 85 Cb 0.45 -4.77 -0.11 0.00 2.34 0.00 0.00 41.12 39.04 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2i8n s HIS 86 N -2.97 1.13 0.20 -0.67 2.46 -1.26 -5.04 115.29 109.15 2i8n s HIS 86 Ca 0.01 -0.69 -0.10 0.00 0.47 0.00 0.00 55.06 54.75 2i8n s HIS 86 Cb -0.00 -0.60 0.21 0.00 -0.13 0.00 0.00 32.58 32.05 2i8n s HIS 86 CO 0.65 0.02 1.81 0.93 -2.47 0.00 0.00 174.74 175.69 2i8n h GLU 87 N 3.33 0.65 -0.14 2.88 4.39 -1.97 -1.31 114.58 122.42 2i8n h GLU 87 Ca -0.37 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 2i8n h GLU 87 Cb 1.19 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2i8n h GLU 87 CO 0.56 0.43 -0.14 -0.39 -1.16 0.00 0.00 179.01 178.31 2i8n h VAL 88 N 0.67 1.18 -0.62 3.13 -1.51 -1.97 -2.60 116.25 114.52 2i8n h VAL 88 Ca 0.28 -0.79 -0.09 0.00 -1.23 0.00 0.00 66.70 64.87 2i8n h VAL 88 Cb 0.15 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 2i8n h VAL 88 CO -0.17 0.24 0.05 0.58 -1.23 0.00 0.00 177.57 177.05 2i8n h VAL 89 N 0.21 1.26 -0.59 7.19 2.07 -1.57 -2.67 116.25 122.15 2i8n h VAL 89 Ca 0.04 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.54 2i8n h VAL 89 Cb 0.38 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2i8n h VAL 89 CO 0.02 0.40 0.39 0.00 0.02 0.00 0.00 177.57 178.41 2i8n h ALA 90 N 1.01 1.87 -0.15 1.67 0.00 -1.01 -0.77 119.26 121.88 2i8n h ALA 90 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2i8n h ALA 90 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2i8n h ALA 90 CO 0.02 0.03 -0.34 0.52 0.00 0.00 0.00 179.25 179.48 2i8n h MET 91 N 0.53 0.31 0.06 0.00 2.86 -1.44 -1.71 114.93 115.53 2i8n h MET 91 Ca 0.26 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2i8n h MET 91 Cb 0.34 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2i8n h MET 91 CO -0.08 0.62 -0.03 0.00 1.06 0.00 0.00 176.91 178.49 2i8n h ALA 92 N 1.38 -0.08 -0.42 6.32 0.00 -1.05 -0.62 119.26 124.79 2i8n h ALA 92 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2i8n h ALA 92 Cb 0.74 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2i8n h ALA 92 CO 0.06 -0.43 -0.23 0.07 0.00 0.00 0.00 179.25 178.71 2i8n h ARG 93 N -0.31 0.86 -0.47 0.00 -0.00 -1.51 -1.91 114.38 111.05 2i8n h ARG 93 Ca -0.01 -0.37 -0.01 0.00 -0.00 0.00 0.00 59.98 59.60 2i8n h ARG 93 Cb 0.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.19 2i8n h ARG 93 CO 0.01 1.01 0.27 -0.22 -0.00 0.00 0.00 179.97 181.04 2i8n h LYS 94 N 0.75 0.64 -0.30 0.08 3.64 -1.27 0.94 116.57 121.05 2i8n h LYS 94 Ca 0.10 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2i8n h LYS 94 Cb 0.78 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2i8n h LYS 94 CO 0.06 0.49 -0.16 1.25 -2.27 0.00 0.00 179.45 178.83 2i8n h LEU 95 N 0.62 0.52 -0.32 5.20 6.46 -1.02 -2.26 115.31 124.51 2i8n h LEU 95 Ca 0.17 -0.15 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 2i8n h LEU 95 Cb 0.03 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 2i8n h LEU 95 CO -0.03 0.69 -0.34 -0.61 -0.62 0.00 0.00 178.44 177.54 2i8n h GLN 96 N 0.48 0.79 -0.29 1.25 4.15 -0.88 -1.62 115.11 118.98 2i8n h GLN 96 Ca 0.08 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 2i8n h GLN 96 Cb 0.55 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2i8n h GLN 96 CO 0.04 1.05 0.17 0.22 -1.93 0.00 0.00 178.83 178.37 2i8n h ASP 97 N 0.55 0.36 -0.44 -0.69 1.82 -0.62 0.23 116.42 117.64 2i8n h ASP 97 Ca 0.05 -0.08 -0.07 0.00 -0.39 0.00 0.00 57.03 56.54 2i8n h ASP 97 Cb 0.92 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 2i8n h ASP 97 CO 0.08 0.33 0.00 1.62 -1.61 0.00 0.00 179.24 179.67 2i8n h VAL 98 N 0.36 1.26 -0.01 2.25 3.04 -1.43 0.48 116.25 122.19 2i8n h VAL 98 Ca 0.10 -1.03 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2i8n h VAL 98 Cb 0.05 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2i8n h VAL 98 CO -0.02 0.35 0.00 0.15 -1.01 0.00 0.00 177.57 177.05 2i8n h PHE 99 N 0.61 0.02 -0.77 3.17 3.57 -1.12 -1.40 116.94 121.03 2i8n h PHE 99 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2i8n h PHE 99 Cb 0.49 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2i8n h PHE 99 CO 0.04 0.21 0.36 1.49 -2.23 0.00 0.00 178.31 178.18 2i8n h GLU 100 N -0.17 1.11 -0.23 1.11 4.22 -0.52 0.16 114.58 120.27 2i8n h GLU 100 Ca 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2i8n h GLU 100 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2i8n h GLU 100 CO -0.00 0.87 0.15 0.52 -2.18 0.00 0.00 179.01 178.37 2i8n h MET 101 N 1.09 0.30 -0.34 1.92 2.86 -0.79 0.48 114.93 120.45 2i8n h MET 101 Ca 0.26 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 2i8n h MET 101 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2i8n h MET 101 CO -0.03 0.20 -0.09 0.00 1.06 0.00 0.00 176.91 178.05 2i8n h ARG 102 N 0.31 0.65 -0.37 1.72 -0.00 -1.03 -1.82 114.38 113.83 2i8n h ARG 102 Ca 0.08 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.29 2i8n h ARG 102 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.88 2i8n h ARG 102 CO -0.02 0.83 0.16 0.74 0.00 0.00 0.00 179.97 181.69 2i8n h PHE 103 N 0.44 0.56 -0.74 3.04 -1.00 -0.47 0.11 116.94 118.87 2i8n h PHE 103 Ca 0.08 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2i8n h PHE 103 Cb 0.60 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.95 2i8n h PHE 103 CO 0.05 0.49 0.48 0.00 -1.61 0.00 0.00 178.31 177.72 2i8n h ALA 104 N 1.01 0.94 -0.22 2.45 0.00 -0.01 0.28 119.26 123.71 2i8n h ALA 104 Ca 0.13 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2i8n h ALA 104 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2i8n h ALA 104 CO -0.01 0.37 -0.47 0.87 0.00 0.00 0.00 179.25 180.01 2i8n h LYS 105 N 1.00 0.58 -0.37 0.00 1.57 -1.12 0.47 116.57 118.70 2i8n h LYS 105 Ca 0.27 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2i8n h LYS 105 Cb -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2i8n h LYS 105 CO -0.06 0.92 -0.36 1.98 -0.57 0.00 0.00 179.45 181.37 2i8n h MET 106 N 0.46 0.90 0.17 3.15 4.05 -0.28 -3.31 114.93 120.07 2i8n h MET 106 Ca 0.03 -0.47 -0.27 0.00 -0.28 0.00 0.00 59.70 58.70 2i8n h MET 106 Cb 0.99 0.01 0.02 0.00 -0.80 0.00 0.00 31.60 31.82 2i8n h MET 106 CO 0.09 1.12 -1.30 -0.07 0.23 0.00 0.00 176.91 176.98 2i8n h LEU 107 N 0.71 0.56 0.00 3.39 3.38 -0.41 -3.51 115.31 119.43 2i8n h LEU 107 Ca 0.06 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2i8n h LEU 107 Cb 0.95 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2i8n h LEU 107 CO 0.09 1.60 0.00 0.00 0.09 0.00 0.00 178.44 180.22