#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 0.60 -0.56 5.31 4.20 -2.00 -1.31 115.11 121.36 2i8n h GLN 2 Ca 0.00 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2i8n h GLN 2 Cb 0.00 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2i8n h GLN 2 CO 0.00 0.57 0.37 -0.07 -0.67 0.00 0.00 178.83 179.03 2i8n h LEU 3 N 0.51 0.63 -0.93 1.46 3.38 -1.97 -0.91 115.31 117.49 2i8n h LEU 3 Ca 0.13 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2i8n h LEU 3 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2i8n h LEU 3 CO -0.01 0.46 0.17 0.50 0.09 0.00 0.00 178.44 179.64 2i8n h LYS 4 N 0.75 0.95 -0.26 1.13 3.64 -1.96 -2.12 116.57 118.70 2i8n h LYS 4 Ca 0.21 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2i8n h LYS 4 Cb -0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2i8n h LYS 4 CO -0.05 0.84 0.03 0.00 -2.27 0.00 0.00 179.45 177.99 2i8n h SER 7 N 1.21 0.50 -0.30 0.00 0.02 -1.25 -2.35 113.55 111.39 2i8n h SER 7 Ca 0.32 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2i8n h SER 7 Cb -0.09 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2i8n h SER 7 CO -0.06 0.34 0.17 1.23 -1.14 0.00 0.00 176.83 177.37 2i8n h GLY 8 N 0.57 0.41 0.94 -3.77 0.00 -1.20 0.25 103.07 100.27 2i8n h GLY 8 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2i8n h GLY 8 CO -0.06 0.12 0.13 -2.22 0.00 0.00 0.00 176.54 174.51 2i8n h ILE 9 N 0.36 1.22 -0.50 2.60 2.04 -1.48 -2.64 117.51 119.11 2i8n h ILE 9 Ca 0.11 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2i8n h ILE 9 Cb -0.01 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2i8n h ILE 9 CO -0.05 0.25 0.21 0.25 0.00 0.00 0.00 178.15 178.81 2i8n h LEU 10 N 0.52 0.65 -2.18 1.44 6.46 -1.16 -2.10 115.31 118.94 2i8n h LEU 10 Ca 0.13 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2i8n h LEU 10 Cb 0.26 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2i8n h LEU 10 CO -0.00 0.59 0.11 0.11 -0.62 0.00 0.00 178.44 178.62 2i8n h LYS 11 N 0.72 0.00 -0.70 1.25 1.57 -0.12 -1.66 116.57 117.62 2i8n h LYS 11 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2i8n h LYS 11 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2i8n h LYS 11 CO -0.02 0.00 0.46 1.49 -0.57 0.00 0.00 179.45 180.81 2i8n h GLU 12 N 0.00 0.78 -0.97 3.15 4.81 -1.32 0.56 114.58 121.59 2i8n h GLU 12 Ca 0.06 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2i8n h GLU 12 Cb 0.27 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2i8n h GLU 12 CO -0.00 0.52 0.62 0.52 -0.73 0.00 0.00 179.01 179.94 2i8n h MET 13 N 0.81 1.08 -0.54 1.92 2.86 -1.45 -1.66 114.93 117.95 2i8n h MET 13 Ca 0.29 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2i8n h MET 13 Cb 0.13 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2i8n h MET 13 CO -0.09 0.71 0.00 0.34 1.06 0.00 0.00 176.91 178.94 2i8n n PHE 14 N -4.54 0.92 0.29 -0.22 -0.00 -0.53 -2.78 117.46 110.60 2i8n n PHE 14 Ca 0.15 -0.56 0.08 0.00 -0.00 0.00 0.00 57.45 57.12 2i8n n PHE 14 Cb 0.20 -0.09 0.23 0.00 -0.00 0.00 0.00 39.48 39.82 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 0.95 2.57 -1.85 3.13 0.00 0.18 -4.90 120.51 120.60 2i8n n ALA 15 Ca 0.20 -0.95 -0.09 0.00 0.00 0.00 0.00 53.44 52.60 2i8n n ALA 15 Cb 0.64 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 0.90 -0.72 -0.02 0.00 5.02 -1.25 -4.89 118.16 117.20 2i8n n LYS 16 Ca 0.17 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 57.03 2i8n n LYS 16 Cb 0.49 -4.57 -0.03 0.00 -0.02 0.00 0.00 35.03 30.90 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 -2.21 2.22 -0.55 1.97 5.02 -1.21 -4.76 118.16 118.65 2i8n n LYS 17 Ca -0.11 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2i8n n LYS 17 Cb 0.48 -1.10 0.08 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.32 0.00 0.10 2.13 -0.00 -1.09 -4.79 115.22 109.25 2i8n n HIS 18 Ca -0.07 -0.63 -0.04 0.00 0.46 0.00 0.00 57.72 57.44 2i8n n HIS 18 Cb 0.62 -0.13 0.05 0.00 -0.12 0.00 0.00 29.99 30.41 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 0.32 0.72 -0.62 1.57 0.00 -1.74 -1.54 119.26 117.98 2i8n h ALA 19 Ca -0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2i8n h ALA 19 Cb 1.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2i8n h ALA 19 CO 0.02 0.95 0.04 0.00 0.00 0.00 0.00 179.25 180.25 2i8n h ALA 20 N 1.21 0.90 0.08 0.00 0.00 -1.88 0.33 119.26 119.90 2i8n h ALA 20 Ca -0.01 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.34 2i8n h ALA 20 Cb 1.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2i8n h ALA 20 CO 0.10 0.66 -1.27 1.88 0.00 0.00 0.00 179.25 180.62 2i8n h TYR 21 N 0.97 0.33 -0.56 0.00 -1.99 -1.91 -3.29 116.97 110.51 2i8n h TYR 21 Ca 0.18 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2i8n h TYR 21 Cb 0.51 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.23 2i8n h TYR 21 CO 0.04 1.21 0.00 0.00 -0.00 0.00 0.00 178.16 179.41 2i8n n ALA 22 N -2.52 3.12 0.18 3.88 0.00 -0.58 -4.50 120.51 120.09 2i8n n ALA 22 Ca -0.09 -1.41 -0.14 0.00 0.00 0.00 0.00 53.44 51.81 2i8n n ALA 22 Cb 1.01 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 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 3.56 -0.43 0.00 0.00 7.01 -0.42 -2.62 115.95 123.04 2i8n h TRP 23 Ca 0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2i8n h TRP 23 Cb 1.37 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.57 2i8n h TRP 23 CO 0.72 -0.12 -0.04 -1.00 -2.79 0.00 0.00 178.44 175.20 2i8n h PRO 24 N -0.76 0.00 -0.71 2.65 0.13 -1.84 -3.16 132.00 128.32 2i8n h PRO 24 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2i8n h PRO 24 Cb 0.51 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.57 2i8n h PRO 24 CO 0.08 0.04 0.15 1.19 -0.23 0.00 0.00 178.00 179.23 2i8n n PHE 25 N -3.12 2.15 0.02 1.56 3.72 -1.22 -4.38 117.46 116.19 2i8n n PHE 25 Ca 0.03 -0.93 -0.18 0.00 -0.05 0.00 0.00 57.45 56.31 2i8n n PHE 25 Cb 0.47 -0.58 -0.12 0.00 -0.94 0.00 0.00 39.48 38.32 2i8n n PHE 25 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 2i8n h TYR 26 N 3.00 0.68 -2.34 1.38 0.05 -1.43 -3.40 116.97 114.92 2i8n h TYR 26 Ca 0.14 -0.39 -0.50 0.00 0.05 0.00 0.00 58.73 58.03 2i8n h TYR 26 Cb 2.08 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 39.72 2i8n h TYR 26 CO 1.12 1.22 -0.48 0.15 -1.05 0.00 0.00 178.16 179.13 2i8n s LYS 27 N -3.11 3.22 0.71 4.88 -0.14 -1.26 -3.91 119.74 120.14 2i8n s LYS 27 Ca -0.13 -0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 53.54 2i8n s LYS 27 Cb 0.04 -2.78 0.17 0.00 -1.68 0.00 0.00 37.83 33.58 2i8n s LYS 27 CO 0.84 0.45 0.79 -0.35 -0.76 0.00 0.00 175.35 176.32 2i8n n PRO 28 N -1.03 -1.60 -3.11 -1.68 -0.04 -1.26 -4.75 135.00 121.53 2i8n n PRO 28 Ca -0.08 -1.23 -0.44 0.00 -0.04 0.00 0.00 63.50 61.70 2i8n n PRO 28 Cb 0.56 -0.97 -0.00 0.00 -0.04 0.00 0.00 33.50 33.05 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 -2.59 5.43 -0.39 0.52 -7.23 -1.26 -4.99 120.40 109.89 2i8n s VAL 29 Ca 0.47 -2.95 -0.27 0.00 -1.81 0.00 0.00 61.98 57.42 2i8n s VAL 29 Cb -0.03 -4.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.06 2i8n s VAL 29 CO 0.35 -1.44 2.33 -1.81 -0.31 0.00 0.00 175.10 174.21 2i8n s ASP 30 N 2.22 4.83 0.30 4.85 1.11 -1.26 -4.84 116.67 123.88 2i8n s ASP 30 Ca 0.38 1.38 -0.01 0.00 0.18 0.00 0.00 52.55 54.47 2i8n s ASP 30 Cb -0.06 -2.50 0.47 0.00 1.07 0.00 0.00 42.92 41.89 2i8n s ASP 30 CO -0.03 -2.53 1.92 1.62 1.18 0.00 0.00 175.17 177.33 2i8n h VAL 31 N 7.48 1.21 -0.09 -1.27 3.04 -1.94 0.46 116.25 125.14 2i8n h VAL 31 Ca -0.30 -0.54 -0.07 0.00 -1.01 0.00 0.00 66.70 64.77 2i8n h VAL 31 Cb 1.26 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2i8n h VAL 31 CO 1.08 0.23 -0.23 -0.33 -1.01 0.00 0.00 177.57 177.32 2i8n h GLU 32 N 0.93 0.31 -0.08 4.17 5.08 -1.95 0.31 114.58 123.35 2i8n h GLU 32 Ca 0.24 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2i8n h GLU 32 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2i8n h GLU 32 CO -0.04 0.83 -0.18 0.00 -1.00 0.00 0.00 179.01 178.62 2i8n h ALA 33 N 0.48 0.13 0.00 3.43 0.00 -1.92 -3.27 119.26 118.11 2i8n h ALA 33 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2i8n h ALA 33 Cb 0.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2i8n h ALA 33 CO 0.05 0.07 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 2i8n h LEU 34 N -0.20 0.00 -1.57 0.00 3.38 -0.19 -3.48 115.31 113.25 2i8n h LEU 34 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2i8n h LEU 34 Cb 0.78 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.65 2i8n h LEU 34 CO 0.04 0.15 -0.54 0.61 0.09 0.00 0.00 178.44 178.79 2i8n n GLY 35 N 1.14 -0.13 2.44 0.83 0.00 0.11 -4.98 105.19 104.59 2i8n n GLY 35 Ca 0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.36 3.67 0.25 0.99 -0.00 -1.03 -4.88 117.00 112.65 2i8n n LEU 36 Ca -0.16 -5.43 0.17 0.00 -0.00 0.00 0.00 56.01 50.59 2i8n n LEU 36 Cb 0.61 -0.61 0.81 0.00 -0.00 0.00 0.00 43.42 44.23 2i8n n LEU 36 CO 0.44 2.08 1.01 0.45 -0.00 0.00 0.00 177.39 181.37 2i8n h HIS 37 N 4.09 0.00 0.00 1.47 3.86 -1.94 -1.79 115.15 120.84 2i8n h HIS 37 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2i8n h HIS 37 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2i8n h HIS 37 CO 0.71 0.00 0.00 -0.44 0.86 0.00 0.00 177.93 179.06 2i8n h ASP 38 N 0.00 0.00 -0.98 2.45 5.19 -1.99 -3.22 116.42 117.87 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 0.24 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 2i8n h ASP 38 CO 0.00 0.00 0.64 0.22 -3.12 0.00 0.00 179.24 176.98 2i8n h TYR 39 N 0.00 1.20 -0.65 4.55 5.03 -1.74 -1.04 116.97 124.32 2i8n h TYR 39 Ca 0.00 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 2i8n h TYR 39 Cb 0.81 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 2i8n h TYR 39 CO 0.00 0.68 0.07 0.00 -1.32 0.00 0.00 178.16 177.59 2i8n h ASP 41 N 1.01 0.67 0.02 0.00 3.32 -1.50 -3.18 116.42 116.76 2i8n h ASP 41 Ca 0.19 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2i8n h ASP 41 Cb 0.49 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.87 2i8n h ASP 41 CO 0.02 0.75 -0.27 0.40 -1.72 0.00 0.00 179.24 178.43 2i8n h ILE 42 N 0.65 1.61 -3.23 0.35 2.04 -0.95 -3.42 117.51 114.57 2i8n h ILE 42 Ca 0.13 -2.15 -0.74 0.00 1.00 0.00 0.00 64.86 63.10 2i8n h ILE 42 Cb 0.44 3.01 -0.23 0.00 -0.74 0.00 0.00 36.82 39.30 2i8n h ILE 42 CO 0.02 0.58 -0.28 -0.63 0.00 0.00 0.00 178.15 177.84 2i8n s ILE 43 N -2.77 5.22 0.43 -0.67 -1.09 0.75 -4.93 121.20 118.13 2i8n s ILE 43 Ca -0.16 -1.20 0.09 0.00 -2.23 0.00 0.00 60.65 57.15 2i8n s ILE 43 Cb -0.00 -4.20 0.27 0.00 -1.58 0.00 0.00 42.46 36.95 2i8n s ILE 43 CO 0.74 -0.68 2.07 0.07 -1.23 0.00 0.00 174.94 175.91 2i8n h LYS 44 N 8.81 0.43 -3.17 2.79 2.10 -1.82 -3.34 116.57 122.36 2i8n h LYS 44 Ca -0.29 -0.03 -0.62 0.00 -2.00 0.00 0.00 60.65 57.71 2i8n h LYS 44 Cb 1.11 -0.10 -0.41 0.00 -0.90 0.00 0.00 32.23 31.93 2i8n h LYS 44 CO 0.93 0.29 -0.68 -1.58 -2.00 0.00 0.00 179.45 176.41 2i8n s HIS 45 N -5.41 2.61 0.02 0.07 2.46 -1.26 -5.09 115.29 108.69 2i8n s HIS 45 Ca -0.08 -2.82 -0.30 0.00 0.47 0.00 0.00 55.06 52.33 2i8n s HIS 45 Cb 0.18 -2.36 -0.07 0.00 -0.13 0.00 0.00 32.58 30.20 2i8n s HIS 45 CO 0.72 -0.75 1.55 -1.25 -2.47 0.00 0.00 174.74 172.54 2i8n s PRO 46 N -0.04 4.23 -0.19 2.88 0.04 -1.25 -4.97 135.00 135.69 2i8n s PRO 46 Ca 0.18 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 2i8n s PRO 46 Cb -0.24 -3.65 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2i8n s PRO 46 CO -0.01 -0.69 0.48 1.41 0.04 0.00 0.00 177.00 178.23 2i8n s MET 47 N 2.76 0.48 0.28 4.56 1.75 -1.26 -5.13 119.30 122.73 2i8n s MET 47 Ca 0.70 0.86 0.04 0.00 -1.25 0.00 0.00 55.69 56.04 2i8n s MET 47 Cb -0.35 0.05 -0.06 0.00 2.84 0.00 0.00 34.83 37.30 2i8n s MET 47 CO 0.29 -0.15 0.03 -0.51 -0.65 0.00 0.00 175.02 174.04 2i8n s ASP 48 N 1.31 2.09 0.23 1.11 1.11 -1.26 -4.80 116.67 116.46 2i8n s ASP 48 Ca -0.08 -1.30 -0.06 0.00 0.18 0.00 0.00 52.55 51.28 2i8n s ASP 48 Cb -0.07 -0.03 0.33 0.00 1.07 0.00 0.00 42.92 44.22 2i8n s ASP 48 CO -0.13 -0.56 1.82 -0.03 1.18 0.00 0.00 175.17 177.46 2i8n h MET 49 N 2.28 0.80 -0.87 8.23 4.05 -1.90 -1.17 114.93 126.35 2i8n h MET 49 Ca -0.40 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.95 2i8n h MET 49 Cb 1.24 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 2i8n h MET 49 CO 0.67 0.53 0.44 1.03 0.23 0.00 0.00 176.91 179.81 2i8n h SER 50 N 0.82 1.12 -0.42 1.39 0.87 -1.77 0.24 113.55 115.80 2i8n h SER 50 Ca 0.36 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2i8n h SER 50 Cb 0.25 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2i8n h SER 50 CO -0.20 0.93 0.13 0.74 -0.53 0.00 0.00 176.83 177.89 2i8n h THR 51 N 1.24 1.22 -0.20 2.23 2.02 -1.65 0.78 112.91 118.55 2i8n h THR 51 Ca 0.30 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 2i8n h THR 51 Cb 0.08 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2i8n h THR 51 CO -0.04 0.26 -0.20 0.40 0.37 0.00 0.00 175.52 176.31 2i8n h ILE 52 N 0.53 1.33 -0.45 3.11 2.04 -0.97 -3.11 117.51 119.99 2i8n h ILE 52 Ca 0.13 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 2i8n h ILE 52 Cb 0.27 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2i8n h ILE 52 CO -0.00 0.42 0.15 0.50 0.00 0.00 0.00 178.15 179.21 2i8n h LYS 53 N 0.15 0.64 -0.97 2.37 3.64 -0.47 -2.54 116.57 119.39 2i8n h LYS 53 Ca 0.03 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2i8n h LYS 53 Cb 0.75 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2i8n h LYS 53 CO 0.05 0.56 0.63 1.03 -2.27 0.00 0.00 179.45 179.44 2i8n h SER 54 N 0.64 1.01 -0.06 4.20 0.87 -0.77 0.49 113.55 119.92 2i8n h SER 54 Ca 0.15 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2i8n h SER 54 Cb 0.18 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2i8n h SER 54 CO -0.01 0.65 0.04 0.11 -0.53 0.00 0.00 176.83 177.09 2i8n h LYS 55 N 1.15 0.08 -0.18 2.24 1.57 -1.43 -0.77 116.57 119.23 2i8n h LYS 55 Ca 0.41 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2i8n h LYS 55 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2i8n h LYS 55 CO -0.16 0.07 -0.27 1.25 -0.57 0.00 0.00 179.45 179.77 2i8n h LEU 56 N 0.07 0.34 -0.70 2.94 5.85 -1.36 0.42 115.31 122.87 2i8n h LEU 56 Ca 0.02 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2i8n h LEU 56 Cb 0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2i8n h LEU 56 CO -0.00 0.61 0.29 -0.33 -0.34 0.00 0.00 178.44 178.66 2i8n h GLU 57 N 0.31 1.04 -0.60 1.25 5.08 0.49 -2.46 114.58 119.70 2i8n h GLU 57 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2i8n h GLU 57 Cb 0.64 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2i8n h GLU 57 CO 0.05 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.92 2i8n n ALA 58 N -2.40 2.88 -2.17 3.43 0.00 -0.34 -4.90 120.51 117.01 2i8n n ALA 58 Ca 0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.36 2i8n n ALA 58 Cb 0.17 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 0.54 -1.59 0.08 0.00 1.74 -0.92 -4.87 116.66 111.64 2i8n n ARG 59 Ca 0.15 1.06 -0.10 0.00 -0.77 0.00 0.00 57.85 58.19 2i8n n ARG 59 Cb 0.58 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.36 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2i8n h GLU 60 N 0.00 0.25 -6.36 5.56 5.08 -0.39 -3.43 114.58 115.29 2i8n h GLU 60 Ca -0.47 -0.29 -0.57 0.00 -1.00 0.00 0.00 59.36 57.03 2i8n h GLU 60 Cb 1.36 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2i8n h GLU 60 CO 0.59 1.01 1.20 0.71 -1.00 0.00 0.00 179.01 181.52 2i8n s TYR 61 N -3.19 2.03 -0.11 4.33 2.02 -1.17 -4.86 117.35 116.40 2i8n s TYR 61 Ca -0.04 0.63 0.14 0.00 -0.37 0.00 0.00 57.07 57.43 2i8n s TYR 61 Cb 0.10 -4.19 -0.00 0.00 -0.40 0.00 0.00 41.96 37.47 2i8n s TYR 61 CO 0.84 -2.63 1.34 0.00 -1.57 0.00 0.00 175.55 173.54 2i8n h ARG 62 N 11.98 0.00 -3.69 -0.62 3.08 -1.95 -3.47 114.38 119.70 2i8n h ARG 62 Ca -0.32 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 2i8n h ARG 62 Cb 1.15 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.04 2i8n h ARG 62 CO 1.05 0.55 -0.37 -0.51 -1.07 0.00 0.00 179.97 179.62 2i8n s ASP 63 N -6.41 0.07 0.51 7.04 1.01 -1.26 -4.97 116.67 112.65 2i8n s ASP 63 Ca 0.03 -0.52 0.29 0.00 0.71 0.00 0.00 52.55 53.05 2i8n s ASP 63 Cb 0.08 0.32 1.31 0.00 1.01 0.00 0.00 42.92 45.65 2i8n s ASP 63 CO 0.76 -0.66 1.99 0.00 0.21 0.00 0.00 175.17 177.47 2i8n h ALA 64 N 3.03 1.11 -0.77 5.23 0.00 -1.92 -2.82 119.26 123.12 2i8n h ALA 64 Ca -0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2i8n h ALA 64 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2i8n h ALA 64 CO 0.53 0.16 0.34 1.96 0.00 0.00 0.00 179.25 182.24 2i8n h GLN 65 N 0.00 1.11 -0.22 0.00 1.08 -1.99 -0.58 115.11 114.51 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 0.50 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2i8n h GLN 65 CO 0.02 0.88 -0.41 0.93 -0.95 0.00 0.00 178.83 179.29 2i8n h GLU 66 N 1.10 0.51 0.23 1.46 5.08 -1.93 -2.39 114.58 118.65 2i8n h GLU 66 Ca 0.26 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2i8n h GLU 66 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2i8n h GLU 66 CO -0.03 0.83 -0.11 0.35 -1.00 0.00 0.00 179.01 179.05 2i8n h PHE 67 N 0.42 -0.29 -0.77 4.33 3.04 -1.42 -3.08 116.94 119.17 2i8n h PHE 67 Ca 0.04 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.04 2i8n h PHE 67 Cb 0.90 0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.45 2i8n h PHE 67 CO 0.03 0.06 0.50 0.78 -2.02 0.00 0.00 178.31 177.67 2i8n h GLY 68 N -0.69 1.05 1.09 2.40 0.00 -1.16 -1.77 103.07 104.00 2i8n h GLY 68 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 46.99 2i8n h GLY 68 CO 0.05 0.26 0.54 0.00 0.00 0.00 0.00 176.54 177.39 2i8n h ALA 69 N 1.58 1.49 0.02 3.60 0.00 -1.42 -1.53 119.26 123.01 2i8n h ALA 69 Ca 0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 2i8n h ALA 69 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2i8n h ALA 69 CO -0.11 0.43 -0.94 -0.44 0.00 0.00 0.00 179.25 178.19 2i8n h ASP 70 N 1.02 0.32 -0.12 0.00 3.32 -1.26 -2.74 116.42 116.96 2i8n h ASP 70 Ca 0.32 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2i8n h ASP 70 Cb 0.02 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2i8n h ASP 70 CO -0.09 1.09 0.02 0.58 -1.72 0.00 0.00 179.24 179.13 2i8n h VAL 71 N 0.12 1.21 -0.33 -1.35 2.07 -0.78 0.51 116.25 117.70 2i8n h VAL 71 Ca -0.06 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2i8n h VAL 71 Cb 1.59 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2i8n h VAL 71 CO 0.15 0.19 -0.05 0.08 0.02 0.00 0.00 177.57 177.96 2i8n h ARG 72 N -0.02 0.52 -0.23 1.57 -0.00 -1.38 -1.93 114.38 112.90 2i8n h ARG 72 Ca 0.04 -0.13 -0.08 0.00 -0.00 0.00 0.00 59.98 59.81 2i8n h ARG 72 Cb 0.27 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.97 30.17 2i8n h ARG 72 CO 0.00 0.59 -0.18 1.25 -0.00 0.00 0.00 179.97 181.62 2i8n h LEU 73 N 0.49 0.55 -0.40 0.08 6.46 -1.29 -2.20 115.31 119.01 2i8n h LEU 73 Ca 0.10 -0.45 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2i8n h LEU 73 Cb 0.40 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2i8n h LEU 73 CO 0.02 0.89 0.24 -0.03 -0.62 0.00 0.00 178.44 178.94 2i8n h MET 74 N 0.22 0.48 -0.46 1.25 4.05 -0.66 -2.35 114.93 117.45 2i8n h MET 74 Ca 0.04 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2i8n h MET 74 Cb 0.72 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2i8n h MET 74 CO 0.05 0.32 0.10 0.74 0.23 0.00 0.00 176.91 178.34 2i8n h PHE 75 N 0.50 0.72 -0.39 1.39 0.04 -1.35 0.10 116.94 117.95 2i8n h PHE 75 Ca 0.16 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2i8n h PHE 75 Cb -0.01 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 2i8n h PHE 75 CO -0.07 0.63 0.22 0.66 -0.60 0.00 0.00 178.31 179.16 2i8n h SER 76 N 0.68 0.48 0.16 2.17 4.64 -0.88 0.50 113.55 121.29 2i8n h SER 76 Ca 0.15 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 2i8n h SER 76 Cb 0.28 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2i8n h SER 76 CO 0.00 0.41 -1.00 -0.55 -0.87 0.00 0.00 176.83 174.82 2i8n h ASN 77 N 0.50 0.74 -0.82 4.97 -1.07 -1.26 -3.25 115.58 115.40 2i8n h ASN 77 Ca 0.14 -0.59 -0.01 0.00 0.07 0.00 0.00 56.30 55.90 2i8n h ASN 77 Cb 0.03 -0.23 -0.04 0.00 -2.07 0.00 0.00 38.32 36.01 2i8n h ASN 77 CO -0.02 1.40 0.47 0.00 0.07 0.00 0.00 177.43 179.34 2i8n h TYR 79 N 1.13 0.00 -0.13 0.00 3.20 -0.95 0.92 116.97 121.14 2i8n h TYR 79 Ca 0.29 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.98 2i8n h TYR 79 Cb -0.01 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 2i8n h TYR 79 CO -0.00 0.07 -0.68 -0.22 -1.64 0.00 0.00 178.16 175.69 2i8n h LYS 80 N 0.00 0.54 0.17 1.82 3.64 -1.42 -3.27 116.57 118.05 2i8n h LYS 80 Ca -0.00 -0.41 -0.29 0.00 -1.27 0.00 0.00 60.65 58.68 2i8n h LYS 80 Cb 0.13 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2i8n h LYS 80 CO 0.01 1.03 -1.26 -0.92 -2.27 0.00 0.00 179.45 176.04 2i8n h TYR 81 N 0.38 0.94 -2.84 1.91 5.03 -1.12 -3.44 116.97 117.84 2i8n h TYR 81 Ca -0.02 -0.63 -0.57 0.00 2.58 0.00 0.00 58.73 60.08 2i8n h TYR 81 Cb 1.26 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.45 2i8n h TYR 81 CO 0.05 1.48 1.17 -0.80 -1.32 0.00 0.00 178.16 178.74 2i8n s ASN 82 N -7.41 6.20 0.76 -2.11 0.01 0.25 -4.99 114.94 107.65 2i8n s ASN 82 Ca -0.10 1.34 -0.13 0.00 -0.71 0.00 0.00 52.86 53.26 2i8n s ASN 82 Cb 0.04 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.23 2i8n s ASN 82 CO 0.92 -1.45 1.14 -2.84 -1.51 0.00 0.00 177.10 173.37 2i8n s PRO 83 N 5.07 2.08 0.54 -0.60 0.02 -1.26 -4.86 135.00 135.98 2i8n s PRO 83 Ca 0.72 1.49 -0.20 0.00 0.02 0.00 0.00 61.00 63.04 2i8n s PRO 83 Cb -0.22 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 2i8n s PRO 83 CO 0.31 -1.83 1.15 -1.25 -0.33 0.00 0.00 177.00 175.05 2i8n s PRO 84 N -4.33 3.37 -1.25 5.54 0.04 -1.26 -3.63 135.00 133.48 2i8n s PRO 84 Ca 0.68 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 2i8n s PRO 84 Cb -0.23 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2i8n s PRO 84 CO 0.49 -0.85 1.07 -3.47 0.04 0.00 0.00 177.00 174.29 2i8n n ASP 85 N -1.22 -4.82 -4.46 6.66 -0.08 -1.26 -5.02 116.55 106.36 2i8n n ASP 85 Ca 0.11 -0.54 -0.30 0.00 -1.51 0.00 0.00 54.79 52.55 2i8n n ASP 85 Cb 0.50 -4.86 -0.12 0.00 2.34 0.00 0.00 41.12 38.98 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 -3.32 2.52 0.22 -0.67 2.46 -1.24 -5.04 115.29 110.23 2i8n s HIS 86 Ca 0.38 -0.27 -0.08 0.00 0.47 0.00 0.00 55.06 55.55 2i8n s HIS 86 Cb -0.17 -1.41 0.28 0.00 -0.13 0.00 0.00 32.58 31.16 2i8n s HIS 86 CO 0.70 0.29 1.81 0.93 -2.47 0.00 0.00 174.74 176.00 2i8n h GLU 87 N 4.26 0.71 -0.30 2.88 5.08 -1.95 -1.41 114.58 123.85 2i8n h GLU 87 Ca -0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2i8n h GLU 87 Cb 1.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2i8n h GLU 87 CO 0.46 0.47 0.08 -0.39 -1.00 0.00 0.00 179.01 178.63 2i8n h VAL 88 N 0.73 1.14 -0.68 3.13 -1.51 -1.96 -2.48 116.25 114.62 2i8n h VAL 88 Ca 0.33 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 2i8n h VAL 88 Cb 0.23 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.18 2i8n h VAL 88 CO -0.20 0.17 0.37 0.58 -1.23 0.00 0.00 177.57 177.27 2i8n h VAL 89 N 0.43 1.21 -0.95 7.19 2.07 -1.56 -1.23 116.25 123.40 2i8n h VAL 89 Ca 0.10 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2i8n h VAL 89 Cb 0.15 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2i8n h VAL 89 CO -0.01 0.24 0.63 0.00 0.02 0.00 0.00 177.57 178.45 2i8n h ALA 90 N 1.18 1.38 -0.29 1.67 0.00 -1.24 -0.21 119.26 121.74 2i8n h ALA 90 Ca 0.24 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2i8n h ALA 90 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2i8n h ALA 90 CO -0.04 0.54 -0.39 0.52 0.00 0.00 0.00 179.25 179.88 2i8n h MET 91 N 1.22 0.70 0.05 0.00 2.86 -1.33 -1.71 114.93 116.72 2i8n h MET 91 Ca 0.37 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2i8n h MET 91 Cb -0.01 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2i8n h MET 91 CO -0.11 0.97 -0.02 0.00 1.06 0.00 0.00 176.91 178.80 2i8n h ALA 92 N 0.99 -0.06 -0.74 6.32 0.00 -0.47 -1.01 119.26 124.29 2i8n h ALA 92 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2i8n h ALA 92 Cb 0.92 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2i8n h ALA 92 CO 0.08 -0.35 0.32 0.07 0.00 0.00 0.00 179.25 179.38 2i8n h ARG 93 N -0.44 1.08 -0.60 0.00 0.11 -1.11 -0.13 114.38 113.30 2i8n h ARG 93 Ca -0.01 -0.17 -0.06 0.00 0.10 0.00 0.00 59.98 59.85 2i8n h ARG 93 Cb 0.39 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 2i8n h ARG 93 CO 0.01 0.85 0.16 -0.22 0.10 0.00 0.00 179.97 180.87 2i8n h LYS 94 N 1.06 0.96 -0.38 0.08 3.64 -1.28 -0.32 116.57 120.33 2i8n h LYS 94 Ca 0.25 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2i8n h LYS 94 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2i8n h LYS 94 CO -0.03 0.87 -0.28 1.25 -2.27 0.00 0.00 179.45 179.00 2i8n h LEU 95 N 0.87 0.82 -0.41 5.20 6.46 -0.77 -2.66 115.31 124.82 2i8n h LEU 95 Ca 0.19 -0.32 -0.12 0.00 -0.12 0.00 0.00 57.88 57.51 2i8n h LEU 95 Cb 0.33 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 2i8n h LEU 95 CO -0.00 1.05 -0.19 -0.61 -0.62 0.00 0.00 178.44 178.07 2i8n h GLN 96 N 0.68 0.86 -0.31 1.25 4.15 -0.81 -1.47 115.11 119.45 2i8n h GLN 96 Ca 0.08 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 2i8n h GLN 96 Cb 0.81 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2i8n h GLN 96 CO 0.07 1.01 0.19 0.22 -1.93 0.00 0.00 178.83 178.39 2i8n h ASP 97 N 0.68 0.37 -0.40 -0.69 3.58 -1.00 0.26 116.42 119.22 2i8n h ASP 97 Ca 0.09 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 2i8n h ASP 97 Cb 0.75 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2i8n h ASP 97 CO 0.06 0.31 -0.06 1.62 -2.88 0.00 0.00 179.24 178.29 2i8n h VAL 98 N 0.41 1.27 0.04 2.25 3.04 -1.47 -1.28 116.25 120.51 2i8n h VAL 98 Ca 0.11 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2i8n h VAL 98 Cb 0.00 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2i8n h VAL 98 CO -0.02 0.38 -0.02 0.15 -1.01 0.00 0.00 177.57 177.05 2i8n h PHE 99 N 0.58 -0.05 -0.35 3.17 3.57 -1.08 -0.54 116.94 122.24 2i8n h PHE 99 Ca 0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2i8n h PHE 99 Cb 0.57 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2i8n h PHE 99 CO 0.05 0.16 0.19 1.49 -2.23 0.00 0.00 178.31 177.96 2i8n h GLU 100 N -0.26 0.37 -0.43 1.11 4.22 -0.49 0.49 114.58 119.60 2i8n h GLU 100 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2i8n h GLU 100 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2i8n h GLU 100 CO 0.01 0.25 0.28 0.52 -2.18 0.00 0.00 179.01 177.89 2i8n h MET 101 N 0.39 0.56 -0.30 1.92 2.86 -1.18 0.21 114.93 119.38 2i8n h MET 101 Ca 0.14 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2i8n h MET 101 Cb 0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2i8n h MET 101 CO -0.09 0.38 -0.12 -0.09 1.06 0.00 0.00 176.91 178.05 2i8n h ARG 102 N 0.58 0.62 0.21 1.72 9.65 -0.76 -2.03 114.38 124.36 2i8n h ARG 102 Ca 0.16 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2i8n h ARG 102 Cb -0.06 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2i8n h ARG 102 CO -0.03 0.83 -0.13 0.74 2.80 0.00 0.00 179.97 184.18 2i8n h PHE 103 N 0.38 -0.33 -1.01 2.20 -1.00 0.18 0.29 116.94 117.65 2i8n h PHE 103 Ca 0.07 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.87 2i8n h PHE 103 Cb 0.63 0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 2i8n h PHE 103 CO 0.06 -0.20 0.66 0.00 -1.61 0.00 0.00 178.31 177.22 2i8n h ALA 104 N 0.46 1.31 -0.32 2.45 0.00 -0.99 0.47 119.26 122.64 2i8n h ALA 104 Ca -0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2i8n h ALA 104 Cb 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i8n h ALA 104 CO 0.02 0.61 -0.26 -0.22 0.00 0.00 0.00 179.25 179.39 2i8n h LYS 105 N 1.32 0.74 -0.23 0.00 3.11 -1.09 0.42 116.57 120.85 2i8n h LYS 105 Ca 0.39 -0.37 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 2i8n h LYS 105 Cb -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 2i8n h LYS 105 CO -0.10 0.99 -0.17 1.98 -2.81 0.00 0.00 179.45 179.34 2i8n h MET 106 N 0.51 0.52 -0.18 1.90 4.05 0.01 -3.25 114.93 118.48 2i8n h MET 106 Ca 0.06 -0.25 -0.16 0.00 -0.28 0.00 0.00 59.70 59.07 2i8n h MET 106 Cb 0.83 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2i8n h MET 106 CO 0.07 0.82 -0.51 -0.07 0.23 0.00 0.00 176.91 177.45 2i8n h LEU 107 N 0.22 0.77 -1.20 3.39 4.07 -0.10 -3.51 115.31 118.95 2i8n h LEU 107 Ca 0.04 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.42 2i8n h LEU 107 Cb 0.70 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2i8n h LEU 107 CO 0.04 1.21 0.00 0.00 -1.08 0.00 0.00 178.44 178.62