#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 1.04 -0.27 5.31 4.20 -1.99 -2.06 115.11 121.34 2i8n h GLN 2 Ca 0.00 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2i8n h GLN 2 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2i8n h GLN 2 CO 0.00 1.01 0.13 -0.07 -0.67 0.00 0.00 178.83 179.23 2i8n h LEU 3 N 0.96 0.36 -0.97 1.46 3.38 -1.97 -1.85 115.31 116.68 2i8n h LEU 3 Ca 0.18 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2i8n h LEU 3 Cb 0.53 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2i8n h LEU 3 CO 0.03 0.38 0.22 0.50 0.09 0.00 0.00 178.44 179.65 2i8n h LYS 4 N 0.31 0.96 -0.31 1.13 3.64 -1.99 -2.35 116.57 117.97 2i8n h LYS 4 Ca 0.09 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2i8n h LYS 4 Cb 0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2i8n h LYS 4 CO -0.01 0.81 0.15 0.00 -2.27 0.00 0.00 179.45 178.13 2i8n h SER 7 N 1.24 0.85 -0.69 0.00 0.02 -1.16 -1.90 113.55 111.90 2i8n h SER 7 Ca 0.32 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 2i8n h SER 7 Cb -0.05 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 2i8n h SER 7 CO -0.06 0.50 0.45 1.23 -1.14 0.00 0.00 176.83 177.81 2i8n h GLY 8 N 0.94 0.98 0.90 -3.77 0.00 -1.25 0.25 103.07 101.13 2i8n h GLY 8 Ca 0.42 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2i8n h GLY 8 CO -0.19 0.32 0.02 -2.22 0.00 0.00 0.00 176.54 174.48 2i8n h ILE 9 N 0.90 1.25 -0.45 2.60 2.04 -1.38 -2.85 117.51 119.61 2i8n h ILE 9 Ca 0.26 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2i8n h ILE 9 Cb -0.05 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2i8n h ILE 9 CO -0.08 0.30 0.07 -0.07 0.00 0.00 0.00 178.15 178.37 2i8n h LEU 10 N 0.38 0.65 -2.14 1.44 3.38 -1.08 -2.32 115.31 115.63 2i8n h LEU 10 Ca 0.10 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2i8n h LEU 10 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2i8n h LEU 10 CO 0.01 0.68 0.08 0.50 0.09 0.00 0.00 178.44 179.80 2i8n h LYS 11 N 0.67 0.00 -0.72 1.13 3.64 -0.26 -1.69 116.57 119.34 2i8n h LYS 11 Ca 0.15 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2i8n h LYS 11 Cb 0.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2i8n h LYS 11 CO 0.00 0.00 0.48 1.49 -2.27 0.00 0.00 179.45 179.15 2i8n h GLU 12 N 0.00 0.80 -0.78 1.90 4.81 -1.31 0.30 114.58 120.31 2i8n h GLU 12 Ca 0.05 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2i8n h GLU 12 Cb 0.21 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2i8n h GLU 12 CO -0.00 0.53 0.51 1.98 -0.73 0.00 0.00 179.01 181.30 2i8n h MET 13 N 0.83 0.86 -0.39 1.92 4.05 -1.44 -1.56 114.93 119.19 2i8n h MET 13 Ca 0.30 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2i8n h MET 13 Cb 0.13 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2i8n h MET 13 CO -0.09 0.57 0.00 0.34 0.23 0.00 0.00 176.91 177.96 2i8n n PHE 14 N -4.47 1.06 -0.46 1.39 -0.00 -0.44 -2.35 117.46 112.18 2i8n n PHE 14 Ca 0.11 -0.72 0.10 0.00 -0.00 0.00 0.00 57.45 56.94 2i8n n PHE 14 Cb 0.18 -0.25 0.31 0.00 -0.00 0.00 0.00 39.48 39.72 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 0.18 2.63 -1.80 3.13 0.00 0.92 -4.93 120.51 120.63 2i8n n ALA 15 Ca 0.21 -1.43 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 2i8n n ALA 15 Cb 0.81 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 2i8n n ALA 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i8n n LYS 16 N 1.20 -0.68 -0.04 0.00 3.00 -1.25 -4.90 118.16 115.49 2i8n n LYS 16 Ca 0.23 0.59 -0.04 0.00 -0.00 0.00 0.00 58.31 59.09 2i8n n LYS 16 Cb 0.70 -4.55 -0.05 0.00 0.00 0.00 0.00 35.03 31.14 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2i8n n LYS 17 N -2.22 1.98 -1.38 1.64 5.02 -1.18 -4.79 118.16 117.23 2i8n n LYS 17 Ca -0.10 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.22 2i8n n LYS 17 Cb 0.47 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.42 0.00 0.10 2.13 -0.00 -1.11 -4.89 115.22 109.03 2i8n n HIS 18 Ca -0.12 -0.48 -0.20 0.00 0.46 0.00 0.00 57.72 57.38 2i8n n HIS 18 Cb 0.70 -0.03 -0.12 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 0.79 0.05 -0.64 1.57 0.00 -1.66 -2.61 119.26 116.75 2i8n h ALA 19 Ca -0.28 -0.80 -0.08 0.00 0.00 0.00 0.00 54.91 53.75 2i8n h ALA 19 Cb 1.79 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 2i8n h ALA 19 CO 0.03 0.78 0.09 0.00 0.00 0.00 0.00 179.25 180.14 2i8n h ALA 20 N 0.41 0.94 -0.07 0.00 0.00 -1.90 0.33 119.26 118.96 2i8n h ALA 20 Ca -0.17 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2i8n h ALA 20 Cb 1.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2i8n h ALA 20 CO 0.23 0.66 -0.65 1.88 0.00 0.00 0.00 179.25 181.36 2i8n h TYR 21 N 1.00 0.39 -0.58 0.00 -1.99 -1.93 -3.09 116.97 110.76 2i8n h TYR 21 Ca 0.19 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2i8n h TYR 21 Cb 0.45 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.12 2i8n h TYR 21 CO 0.03 0.86 0.00 0.00 -0.00 0.00 0.00 178.16 179.06 2i8n n ALA 22 N -2.48 3.39 0.03 3.88 0.00 -0.98 -4.54 120.51 119.80 2i8n n ALA 22 Ca -0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 53.44 51.52 2i8n n ALA 22 Cb 0.65 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 3.81 -0.16 0.00 0.00 7.01 -0.25 -3.00 115.95 123.36 2i8n h TRP 23 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2i8n h TRP 23 Cb 1.66 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.77 2i8n h TRP 23 CO 0.87 0.31 0.00 -0.35 -2.79 0.00 0.00 178.44 176.48 2i8n n PRO 24 N -4.88 0.37 -2.30 2.65 -0.04 -1.26 -3.43 135.00 126.12 2i8n n PRO 24 Ca -0.07 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.26 2i8n n PRO 24 Cb 0.27 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2i8n n PRO 24 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2i8n n PHE 25 N -1.28 2.33 -0.13 0.54 -0.00 -1.24 -4.79 117.46 112.90 2i8n n PHE 25 Ca 0.12 -2.27 -0.25 0.00 -0.00 0.00 0.00 57.45 55.05 2i8n n PHE 25 Cb 0.20 -0.29 -0.10 0.00 -0.00 0.00 0.00 39.48 39.29 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 2i8n n TYR 26 N -0.65 0.00 -2.28 -5.13 9.36 -1.13 -4.56 117.16 112.77 2i8n n TYR 26 Ca 0.32 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.23 2i8n n TYR 26 Cb 0.90 -0.93 -0.02 0.00 -0.63 0.00 0.00 39.34 38.66 2i8n n TYR 26 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2i8n s LYS 27 N -2.48 3.86 0.47 2.98 3.01 -1.26 -2.55 119.74 123.77 2i8n s LYS 27 Ca -0.35 0.89 -0.08 0.00 -1.01 0.00 0.00 55.97 55.42 2i8n s LYS 27 Cb 0.13 -2.13 0.12 0.00 -1.01 0.00 0.00 37.83 34.93 2i8n s LYS 27 CO 0.48 -0.34 0.41 -0.35 0.51 0.00 0.00 175.35 176.06 2i8n n PRO 28 N -1.86 -1.86 -3.67 -1.68 -0.04 -1.26 -4.82 135.00 119.81 2i8n n PRO 28 Ca 0.06 -0.66 -0.36 0.00 -0.04 0.00 0.00 63.50 62.50 2i8n n PRO 28 Cb 0.54 -0.62 -0.08 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.74 4.09 -0.40 0.52 -7.23 -1.26 -5.04 120.40 109.34 2i8n s VAL 29 Ca 0.27 -3.49 -0.27 0.00 -1.81 0.00 0.00 61.98 56.68 2i8n s VAL 29 Cb -0.03 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2i8n s VAL 29 CO 0.21 -1.00 2.14 -1.81 -0.31 0.00 0.00 175.10 174.32 2i8n s ASP 30 N 0.20 5.17 0.30 4.85 1.01 -1.26 -4.85 116.67 122.09 2i8n s ASP 30 Ca 0.23 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.73 2i8n s ASP 30 Cb -0.12 -2.51 0.46 0.00 1.01 0.00 0.00 42.92 41.75 2i8n s ASP 30 CO -0.09 -2.29 1.90 1.62 0.21 0.00 0.00 175.17 176.53 2i8n h VAL 31 N 7.22 1.21 -0.10 -1.27 3.04 -1.96 0.35 116.25 124.74 2i8n h VAL 31 Ca -0.31 -0.58 -0.09 0.00 -1.01 0.00 0.00 66.70 64.71 2i8n h VAL 31 Cb 1.22 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2i8n h VAL 31 CO 1.08 0.24 -0.27 -0.33 -1.01 0.00 0.00 177.57 177.29 2i8n h GLU 32 N 0.91 0.36 -0.05 4.17 5.08 -1.94 0.29 114.58 123.40 2i8n h GLU 32 Ca 0.22 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2i8n h GLU 32 Cb 0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2i8n h GLU 32 CO -0.03 0.87 -0.14 0.00 -1.00 0.00 0.00 179.01 178.71 2i8n h ALA 33 N 0.49 0.09 0.00 3.43 0.00 -1.93 -3.28 119.26 118.06 2i8n h ALA 33 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 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 -0.01 -0.24 -0.07 0.00 0.00 0.00 179.25 178.99 2i8n h LEU 34 N -0.33 0.00 -2.71 0.00 3.38 -0.42 -3.49 115.31 111.73 2i8n h LEU 34 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2i8n h LEU 34 Cb 0.74 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.59 2i8n h LEU 34 CO 0.03 0.16 -0.43 0.61 0.09 0.00 0.00 178.44 178.89 2i8n n GLY 35 N 1.15 -0.18 2.43 0.83 0.00 0.97 -5.01 105.19 105.38 2i8n n GLY 35 Ca 0.03 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.37 2.62 0.26 0.99 -0.00 -0.82 -4.90 117.00 112.78 2i8n n LEU 36 Ca -0.04 -5.24 0.17 0.00 -0.00 0.00 0.00 56.01 50.91 2i8n n LEU 36 Cb 0.56 -0.14 0.86 0.00 -0.00 0.00 0.00 43.42 44.71 2i8n n LEU 36 CO 0.31 2.15 1.02 1.12 -0.00 0.00 0.00 177.39 181.98 2i8n h HIS 37 N 3.75 0.00 0.00 1.47 2.07 -1.95 -1.54 115.15 118.95 2i8n h HIS 37 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 2i8n h HIS 37 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 2i8n h HIS 37 CO 0.62 0.00 0.00 0.22 -3.07 0.00 0.00 177.93 175.70 2i8n h ASP 38 N 0.00 0.00 -0.88 3.10 3.58 -1.98 -3.25 116.42 116.99 2i8n h ASP 38 Ca 0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 2i8n h ASP 38 Cb 0.16 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 2i8n h ASP 38 CO 0.00 0.00 0.56 0.22 -2.88 0.00 0.00 179.24 177.14 2i8n h TYR 39 N 0.00 1.04 -0.37 0.28 5.03 -1.65 -0.72 116.97 120.58 2i8n h TYR 39 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 2i8n h TYR 39 Cb 0.77 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 2i8n h TYR 39 CO 0.00 0.55 0.04 0.00 -1.32 0.00 0.00 178.16 177.43 2i8n h ASP 41 N 0.54 0.71 -0.06 0.00 1.82 -1.40 -3.30 116.42 114.73 2i8n h ASP 41 Ca 0.12 -0.50 -0.11 0.00 -0.39 0.00 0.00 57.03 56.16 2i8n h ASP 41 Cb 0.29 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.10 2i8n h ASP 41 CO 0.00 1.07 -0.37 0.40 -1.61 0.00 0.00 179.24 178.73 2i8n h ILE 42 N 0.37 1.42 -3.09 2.25 2.04 -0.88 -3.43 117.51 116.19 2i8n h ILE 42 Ca 0.03 -1.79 -0.65 0.00 1.00 0.00 0.00 64.86 63.44 2i8n h ILE 42 Cb 0.90 2.37 -0.35 0.00 -0.74 0.00 0.00 36.82 38.99 2i8n h ILE 42 CO 0.08 0.52 -0.85 -0.63 0.00 0.00 0.00 178.15 177.26 2i8n s ILE 43 N -3.57 1.93 0.23 -0.67 -1.09 0.16 -5.01 121.20 113.18 2i8n s ILE 43 Ca -0.14 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2i8n s ILE 43 Cb 0.04 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.12 2i8n s ILE 43 CO 0.79 0.51 1.57 0.07 -1.23 0.00 0.00 174.94 176.64 2i8n h LYS 44 N 7.97 0.39 -2.60 2.79 2.10 -1.82 -3.37 116.57 122.04 2i8n h LYS 44 Ca -0.44 -0.24 -0.60 0.00 -2.00 0.00 0.00 60.65 57.38 2i8n h LYS 44 Cb 1.14 0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 32.09 2i8n h LYS 44 CO 0.61 0.82 -0.79 1.58 -2.00 0.00 0.00 179.45 179.67 2i8n n HIS 45 N -3.95 1.31 -2.23 0.07 -0.00 -1.26 -5.04 115.22 104.12 2i8n n HIS 45 Ca -0.02 -3.83 -0.42 0.00 0.46 0.00 0.00 57.72 53.90 2i8n n HIS 45 Cb 0.58 -0.25 -0.03 0.00 -0.12 0.00 0.00 29.99 30.17 2i8n n HIS 45 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2i8n s PRO 46 N -0.97 4.34 0.10 1.57 0.04 -1.26 -4.98 135.00 133.84 2i8n s PRO 46 Ca 0.31 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.38 2i8n s PRO 46 Cb 0.03 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2i8n s PRO 46 CO -0.16 -0.42 -0.10 -1.64 0.04 0.00 0.00 177.00 174.71 2i8n s MET 47 N 1.33 0.88 0.16 4.56 -1.94 -1.26 -5.08 119.30 117.94 2i8n s MET 47 Ca 0.63 -1.19 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 2i8n s MET 47 Cb -0.34 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 2i8n s MET 47 CO 0.29 0.09 0.09 -0.51 -0.01 0.00 0.00 175.02 174.97 2i8n s ASP 48 N -2.50 0.24 0.24 3.03 1.01 -1.26 -5.00 116.67 112.44 2i8n s ASP 48 Ca 0.07 -1.28 -0.05 0.00 0.71 0.00 0.00 52.55 52.00 2i8n s ASP 48 Cb -0.03 0.33 0.36 0.00 1.01 0.00 0.00 42.92 44.60 2i8n s ASP 48 CO 0.00 -0.78 1.84 -0.03 0.21 0.00 0.00 175.17 176.41 2i8n h MET 49 N 2.76 0.88 -0.80 8.23 4.05 -1.80 -1.01 114.93 127.23 2i8n h MET 49 Ca -0.35 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.98 2i8n h MET 49 Cb 1.22 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 2i8n h MET 49 CO 0.56 0.58 0.39 1.03 0.23 0.00 0.00 176.91 179.70 2i8n h SER 50 N 0.91 1.04 -0.34 1.39 0.87 -1.81 0.24 113.55 115.84 2i8n h SER 50 Ca 0.39 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2i8n h SER 50 Cb 0.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2i8n h SER 50 CO -0.20 0.88 0.06 0.74 -0.53 0.00 0.00 176.83 177.78 2i8n h THR 51 N 1.14 1.23 -0.20 2.23 2.02 -1.57 0.78 112.91 118.54 2i8n h THR 51 Ca 0.28 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 2i8n h THR 51 Cb 0.11 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2i8n h THR 51 CO -0.04 0.27 -0.18 0.40 0.37 0.00 0.00 175.52 176.34 2i8n h ILE 52 N 0.40 1.33 -0.32 3.11 2.04 -0.96 -3.12 117.51 119.98 2i8n h ILE 52 Ca 0.10 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 2i8n h ILE 52 Cb 0.34 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2i8n h ILE 52 CO 0.00 0.41 -0.05 0.11 0.00 0.00 0.00 178.15 178.62 2i8n h LYS 53 N 0.15 0.51 -0.99 2.37 1.57 -0.52 -2.77 116.57 116.90 2i8n h LYS 53 Ca 0.03 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2i8n h LYS 53 Cb 0.72 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 2i8n h LYS 53 CO 0.05 0.58 0.64 1.03 -0.57 0.00 0.00 179.45 181.17 2i8n h SER 54 N 0.49 1.03 -0.10 0.86 0.87 -0.78 0.13 113.55 116.05 2i8n h SER 54 Ca 0.10 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2i8n h SER 54 Cb 0.40 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2i8n h SER 54 CO 0.02 0.66 0.05 0.11 -0.53 0.00 0.00 176.83 177.15 2i8n h LYS 55 N 1.17 0.13 -0.50 2.24 6.56 -1.45 -1.99 116.57 122.73 2i8n h LYS 55 Ca 0.42 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.96 2i8n h LYS 55 Cb 0.14 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2i8n h LYS 55 CO -0.16 0.16 0.16 1.25 -2.06 0.00 0.00 179.45 178.80 2i8n h LEU 56 N 0.07 0.67 -1.02 2.94 5.85 -1.39 0.88 115.31 123.32 2i8n h LEU 56 Ca 0.03 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2i8n h LEU 56 Cb 0.06 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2i8n h LEU 56 CO -0.01 0.64 0.64 -0.33 -0.34 0.00 0.00 178.44 179.05 2i8n h GLU 57 N 0.72 1.30 -0.58 1.25 5.08 -0.30 -1.60 114.58 120.45 2i8n h GLU 57 Ca 0.17 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2i8n h GLU 57 Cb 0.20 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2i8n h GLU 57 CO -0.01 0.87 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 2i8n n ALA 58 N -2.38 2.80 -2.19 3.43 0.00 -0.79 -4.89 120.51 116.49 2i8n n ALA 58 Ca 0.12 -0.74 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2i8n n ALA 58 Cb 0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 0.38 -1.57 0.08 0.00 0.63 -0.60 -4.88 116.66 110.70 2i8n n ARG 59 Ca 0.12 1.04 -0.14 0.00 -0.92 0.00 0.00 57.85 57.95 2i8n n ARG 59 Cb 0.49 -5.60 -0.06 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 0.37 -6.31 -0.14 5.08 -1.04 -3.42 114.58 109.13 2i8n h GLU 60 Ca -0.47 -0.43 -0.54 0.00 -1.00 0.00 0.00 59.36 56.92 2i8n h GLU 60 Cb 1.35 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 2i8n h GLU 60 CO 0.58 1.12 1.18 0.71 -1.00 0.00 0.00 179.01 181.59 2i8n s TYR 61 N -3.16 2.09 0.04 4.33 2.02 -1.24 -4.85 117.35 116.58 2i8n s TYR 61 Ca -0.05 0.57 0.10 0.00 -0.37 0.00 0.00 57.07 57.31 2i8n s TYR 61 Cb 0.09 -4.29 -0.08 0.00 -0.40 0.00 0.00 41.96 37.27 2i8n s TYR 61 CO 0.87 -2.19 1.35 0.00 -1.57 0.00 0.00 175.55 174.01 2i8n h ARG 62 N 12.09 0.00 -3.71 -0.62 3.08 -1.97 -3.48 114.38 119.77 2i8n h ARG 62 Ca -0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 2i8n h ARG 62 Cb 1.12 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.04 2i8n h ARG 62 CO 1.16 0.82 -0.24 0.34 -1.07 0.00 0.00 179.97 180.98 2i8n s ASP 63 N -6.63 -0.03 0.44 7.04 2.15 -1.26 -4.92 116.67 113.46 2i8n s ASP 63 Ca 0.02 -0.70 0.30 0.00 0.43 0.00 0.00 52.55 52.60 2i8n s ASP 63 Cb 0.09 0.45 1.21 0.00 -0.30 0.00 0.00 42.92 44.38 2i8n s ASP 63 CO 0.79 -0.89 1.88 0.00 -0.17 0.00 0.00 175.17 176.79 2i8n h ALA 64 N 2.50 1.00 -0.58 3.66 0.00 -1.91 -3.07 119.26 120.85 2i8n h ALA 64 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2i8n h ALA 64 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2i8n h ALA 64 CO 0.48 0.00 0.26 1.96 0.00 0.00 0.00 179.25 181.94 2i8n h GLN 65 N 0.00 0.85 -0.27 0.00 1.08 -1.99 0.96 115.11 115.75 2i8n h GLN 65 Ca 0.00 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 56.91 2i8n h GLN 65 Cb 0.47 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2i8n h GLN 65 CO 0.00 0.71 -0.43 1.49 -0.95 0.00 0.00 178.83 179.65 2i8n h GLU 66 N 0.79 0.67 0.22 1.46 4.81 -1.97 -2.40 114.58 118.16 2i8n h GLU 66 Ca 0.20 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2i8n h GLU 66 Cb 0.16 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2i8n h GLU 66 CO -0.02 0.97 -0.11 0.35 -0.73 0.00 0.00 179.01 179.47 2i8n h PHE 67 N 0.54 -0.28 -0.84 0.92 3.04 -1.50 -2.87 116.94 115.96 2i8n h PHE 67 Ca 0.04 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.05 2i8n h PHE 67 Cb 0.97 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 2i8n h PHE 67 CO 0.05 0.03 0.54 0.78 -2.02 0.00 0.00 178.31 177.69 2i8n h GLY 68 N -0.58 1.17 0.96 2.40 0.00 -0.85 -1.17 103.07 105.00 2i8n h GLY 68 Ca -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2i8n h GLY 68 CO 0.05 0.25 0.48 0.00 0.00 0.00 0.00 176.54 177.32 2i8n h ALA 69 N 1.56 0.94 -0.26 3.60 0.00 -1.36 -0.67 119.26 123.06 2i8n h ALA 69 Ca 0.37 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 2i8n h ALA 69 Cb 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2i8n h ALA 69 CO -0.14 0.32 -0.55 -0.44 0.00 0.00 0.00 179.25 178.44 2i8n h ASP 70 N 0.96 0.89 -0.12 0.00 3.32 -1.13 -2.09 116.42 118.25 2i8n h ASP 70 Ca 0.28 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2i8n h ASP 70 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2i8n h ASP 70 CO -0.08 1.26 0.06 0.58 -1.72 0.00 0.00 179.24 179.34 2i8n h VAL 71 N 0.61 1.12 -0.59 -1.35 2.07 -0.88 0.91 116.25 118.15 2i8n h VAL 71 Ca 0.01 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2i8n h VAL 71 Cb 1.15 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2i8n h VAL 71 CO 0.12 0.11 0.14 0.03 0.02 0.00 0.00 177.57 177.99 2i8n h ARG 72 N 0.06 0.92 -0.10 1.57 2.47 -1.17 0.46 114.38 118.59 2i8n h ARG 72 Ca 0.04 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 2i8n h ARG 72 Cb 0.13 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2i8n h ARG 72 CO -0.00 0.83 0.01 1.25 0.56 0.00 0.00 179.97 182.62 2i8n h LEU 73 N 0.88 0.16 -0.52 3.04 6.46 -1.13 -2.23 115.31 121.98 2i8n h LEU 73 Ca 0.19 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 2i8n h LEU 73 Cb 0.33 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2i8n h LEU 73 CO 0.00 0.39 0.14 -0.03 -0.62 0.00 0.00 178.44 178.32 2i8n h MET 74 N -0.07 0.83 -0.77 1.25 4.05 -0.67 -2.50 114.93 117.05 2i8n h MET 74 Ca 0.03 -0.19 0.06 0.00 -0.28 0.00 0.00 59.70 59.31 2i8n h MET 74 Cb 0.30 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 2i8n h MET 74 CO 0.00 0.78 0.46 0.74 0.23 0.00 0.00 176.91 179.13 2i8n h PHE 75 N 0.73 0.85 -0.50 1.39 0.04 -0.86 0.51 116.94 119.09 2i8n h PHE 75 Ca 0.17 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2i8n h PHE 75 Cb 0.32 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2i8n h PHE 75 CO 0.02 0.43 0.19 1.03 -0.60 0.00 0.00 178.31 179.38 2i8n h SER 76 N 0.85 0.70 -0.32 2.17 0.87 -1.22 -1.56 113.55 115.05 2i8n h SER 76 Ca 0.34 -0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 2i8n h SER 76 Cb 0.16 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2i8n h SER 76 CO -0.17 0.69 -0.34 0.78 -0.53 0.00 0.00 176.83 177.26 2i8n h ASN 77 N 0.68 0.86 -0.98 6.23 2.35 -0.96 -3.14 115.58 120.61 2i8n h ASN 77 Ca 0.17 -0.48 0.02 0.00 -0.55 0.00 0.00 56.30 55.46 2i8n h ASN 77 Cb 0.21 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 2i8n h ASN 77 CO -0.01 1.16 0.65 0.00 -1.65 0.00 0.00 177.43 177.57 2i8n h TYR 79 N 1.29 0.56 -0.20 0.00 3.20 -1.24 0.44 116.97 121.02 2i8n h TYR 79 Ca 0.37 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 2i8n h TYR 79 Cb -0.08 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2i8n h TYR 79 CO -0.00 0.34 0.02 -0.22 -1.64 0.00 0.00 178.16 176.66 2i8n h LYS 80 N 0.59 0.35 -0.06 1.82 3.64 -1.33 -3.23 116.57 118.35 2i8n h LYS 80 Ca 0.18 -0.10 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 2i8n h LYS 80 Cb 0.00 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2i8n h LYS 80 CO -0.04 0.52 -0.85 -0.92 -2.27 0.00 0.00 179.45 175.89 2i8n h TYR 81 N 0.12 0.97 -2.10 1.91 5.03 -1.27 -3.43 116.97 118.20 2i8n h TYR 81 Ca 0.06 -0.49 -0.58 0.00 2.58 0.00 0.00 58.73 60.30 2i8n h TYR 81 Cb 0.35 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2i8n h TYR 81 CO 0.03 1.31 1.45 -0.80 -1.32 0.00 0.00 178.16 178.83 2i8n s ASN 82 N -7.10 5.57 -0.03 -2.11 0.01 0.15 -4.93 114.94 106.49 2i8n s ASN 82 Ca -0.11 1.88 -0.30 0.00 -0.71 0.00 0.00 52.86 53.62 2i8n s ASN 82 Cb 0.07 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 2i8n s ASN 82 CO 0.90 -1.87 1.41 -2.16 -1.51 0.00 0.00 177.10 173.87 2i8n s PRO 83 N 6.14 4.26 0.98 -0.60 0.04 -1.26 -4.85 135.00 139.71 2i8n s PRO 83 Ca 0.97 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 63.82 2i8n s PRO 83 Cb -0.32 -3.65 0.02 0.00 0.04 0.00 0.00 34.50 30.58 2i8n s PRO 83 CO 0.35 -0.62 0.17 -2.30 0.04 0.00 0.00 177.00 174.64 2i8n n PRO 84 N 5.76 -0.41 -3.50 0.56 -0.02 -1.26 -3.58 135.00 132.54 2i8n n PRO 84 Ca 0.14 -0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.32 2i8n n PRO 84 Cb 0.44 -1.72 0.08 0.00 -0.02 0.00 0.00 33.50 32.28 2i8n n PRO 84 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2i8n n ASP 85 N -0.69 -5.26 -4.08 2.55 8.00 -1.26 -5.01 116.55 110.79 2i8n n ASP 85 Ca 0.05 -0.53 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 2i8n n ASP 85 Cb 0.55 -4.82 -0.12 0.00 -0.02 0.00 0.00 41.12 36.71 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2i8n s HIS 86 N -3.31 0.83 0.23 1.24 2.46 -1.23 -5.05 115.29 110.46 2i8n s HIS 86 Ca 0.44 -0.41 -0.07 0.00 0.47 0.00 0.00 55.06 55.49 2i8n s HIS 86 Cb -0.19 -0.49 0.27 0.00 -0.13 0.00 0.00 32.58 32.04 2i8n s HIS 86 CO 0.69 -0.03 1.87 1.49 -2.47 0.00 0.00 174.74 176.29 2i8n h GLU 87 N 4.75 1.00 -0.65 2.88 4.81 -1.95 -2.09 114.58 123.33 2i8n h GLU 87 Ca -0.36 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2i8n h GLU 87 Cb 1.20 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2i8n h GLU 87 CO 0.42 0.66 0.40 -0.39 -0.73 0.00 0.00 179.01 179.37 2i8n h VAL 88 N 1.03 1.18 -0.17 0.32 -1.51 -1.96 -1.41 116.25 113.73 2i8n h VAL 88 Ca 0.34 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 2i8n h VAL 88 Cb 0.04 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.45 2i8n h VAL 88 CO -0.13 0.19 0.02 0.58 -1.23 0.00 0.00 177.57 177.00 2i8n h VAL 89 N 0.89 1.23 -0.88 7.19 2.07 -1.68 -2.16 116.25 122.91 2i8n h VAL 89 Ca 0.23 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2i8n h VAL 89 Cb -0.05 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2i8n h VAL 89 CO -0.05 0.22 0.49 0.00 0.02 0.00 0.00 177.57 178.25 2i8n h ALA 90 N 0.81 1.20 -0.48 1.67 0.00 -1.16 -2.03 119.26 119.27 2i8n h ALA 90 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2i8n h ALA 90 Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2i8n h ALA 90 CO 0.00 0.65 0.28 0.52 0.00 0.00 0.00 179.25 180.70 2i8n h MET 91 N 1.23 0.66 0.04 0.00 2.86 -1.13 0.25 114.93 118.84 2i8n h MET 91 Ca 0.31 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2i8n h MET 91 Cb 0.02 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2i8n h MET 91 CO -0.05 0.50 -0.02 0.00 1.06 0.00 0.00 176.91 178.40 2i8n h ALA 92 N 1.12 -0.05 -0.97 6.32 0.00 -1.07 -1.43 119.26 123.18 2i8n h ALA 92 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2i8n h ALA 92 Cb 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2i8n h ALA 92 CO -0.03 -0.48 0.64 0.00 0.00 0.00 0.00 179.25 179.38 2i8n h ARG 93 N -0.15 1.27 -0.78 0.00 -0.00 -1.25 -2.17 114.38 111.29 2i8n h ARG 93 Ca -0.01 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.39 2i8n h ARG 93 Cb 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 29.97 29.78 2i8n h ARG 93 CO 0.01 0.84 0.46 -0.22 0.00 0.00 0.00 179.97 181.06 2i8n h LYS 94 N 1.31 1.06 -0.39 0.04 3.64 -0.73 -1.76 116.57 119.74 2i8n h LYS 94 Ca 0.35 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2i8n h LYS 94 Cb -0.15 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.43 2i8n h LYS 94 CO -0.08 0.75 0.10 1.25 -2.27 0.00 0.00 179.45 179.20 2i8n h LEU 95 N 1.06 0.52 -0.25 5.20 6.46 -0.66 -2.02 115.31 125.62 2i8n h LEU 95 Ca 0.28 -0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.86 2i8n h LEU 95 Cb -0.03 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2i8n h LEU 95 CO -0.05 0.52 -0.27 -0.61 -0.62 0.00 0.00 178.44 177.41 2i8n h GLN 96 N 0.56 0.62 -0.29 1.25 -0.00 -0.87 -1.80 115.11 114.59 2i8n h GLN 96 Ca 0.13 -0.34 -0.01 0.00 -0.00 0.00 0.00 58.65 58.44 2i8n h GLN 96 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2i8n h GLN 96 CO -0.00 0.94 0.16 0.22 0.00 0.00 0.00 178.83 180.15 2i8n h ASP 97 N 0.34 0.36 -0.50 -0.69 3.58 -1.04 0.16 116.42 118.62 2i8n h ASP 97 Ca 0.04 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 2i8n h ASP 97 Cb 0.84 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2i8n h ASP 97 CO 0.07 0.34 0.10 1.62 -2.88 0.00 0.00 179.24 178.49 2i8n h VAL 98 N 0.36 1.24 0.05 2.25 3.04 -1.41 -1.15 116.25 120.63 2i8n h VAL 98 Ca 0.10 -0.89 -0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2i8n h VAL 98 Cb 0.06 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2i8n h VAL 98 CO -0.02 0.32 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.58 2i8n h PHE 99 N 0.69 -0.06 -0.53 3.17 -1.00 -1.15 -1.29 116.94 116.78 2i8n h PHE 99 Ca 0.15 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.98 2i8n h PHE 99 Cb 0.36 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 2i8n h PHE 99 CO 0.02 0.16 0.27 1.49 -1.61 0.00 0.00 178.31 178.65 2i8n h GLU 100 N -0.27 0.51 -0.20 1.51 4.22 -0.65 0.51 114.58 120.20 2i8n h GLU 100 Ca -0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 2i8n h GLU 100 Cb 0.25 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 100 CO 0.01 0.34 0.12 0.52 -2.18 0.00 0.00 179.01 177.83 2i8n h MET 101 N 0.53 0.28 -0.31 1.92 2.86 -1.14 0.27 114.93 119.34 2i8n h MET 101 Ca 0.23 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 2i8n h MET 101 Cb 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2i8n h MET 101 CO -0.16 0.22 -0.08 -0.09 1.06 0.00 0.00 176.91 177.86 2i8n h ARG 102 N 0.25 0.61 -0.59 1.72 2.43 -0.86 -1.90 114.38 116.04 2i8n h ARG 102 Ca 0.07 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 2i8n h ARG 102 Cb 0.02 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2i8n h ARG 102 CO -0.01 0.80 0.24 0.35 -1.51 0.00 0.00 179.97 179.83 2i8n h PHE 103 N 0.38 0.89 -0.18 2.20 3.57 0.14 -1.62 116.94 122.32 2i8n h PHE 103 Ca 0.08 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2i8n h PHE 103 Cb 0.58 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2i8n h PHE 103 CO 0.05 0.71 -0.15 0.00 -2.23 0.00 0.00 178.31 176.70 2i8n h ALA 104 N 1.08 1.42 -0.15 2.41 0.00 -0.41 -0.78 119.26 122.84 2i8n h ALA 104 Ca 0.20 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2i8n h ALA 104 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2i8n h ALA 104 CO -0.02 0.40 -0.32 -0.22 0.00 0.00 0.00 179.25 179.10 2i8n h LYS 105 N 0.27 0.48 -0.24 0.00 3.64 -0.91 0.46 116.57 120.28 2i8n h LYS 105 Ca 0.05 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 2i8n h LYS 105 Cb 0.43 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2i8n h LYS 105 CO 0.03 0.92 -0.40 0.00 -2.27 0.00 0.00 179.45 177.73 2i8n h MET 106 N 0.09 0.56 0.19 1.90 -0.00 -1.15 -3.25 114.93 113.27 2i8n h MET 106 Ca 0.00 -0.28 -0.31 0.00 -0.00 0.00 0.00 59.70 59.11 2i8n h MET 106 Cb 0.92 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.54 2i8n h MET 106 CO 0.07 0.86 -1.46 1.25 -0.00 0.00 0.00 176.91 177.64 2i8n h LEU 107 N 0.46 0.64 -1.34 -0.10 6.46 -1.18 -3.52 115.31 116.74 2i8n h LEU 107 Ca 0.04 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 2i8n h LEU 107 Cb 0.89 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2i8n h LEU 107 CO 0.08 1.68 0.00 1.67 -0.62 0.00 0.00 178.44 181.24