#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 -0.41 5.31 4.20 -2.01 -1.01 115.11 122.02 2i8n h GLN 2 Ca 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2i8n h GLN 2 Cb 0.00 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2i8n h GLN 2 CO 0.00 0.55 0.13 -0.07 -0.67 0.00 0.00 178.83 178.76 2i8n h LEU 3 N 0.85 0.54 -0.65 1.46 3.38 -1.98 -1.80 115.31 117.11 2i8n h LEU 3 Ca 0.32 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 2i8n h LEU 3 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2i8n h LEU 3 CO -0.10 0.52 -0.61 0.50 0.09 0.00 0.00 178.44 178.84 2i8n h LYS 4 N 0.59 0.23 -0.06 1.13 1.63 -1.64 -2.09 116.57 116.35 2i8n h LYS 4 Ca 0.14 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2i8n h LYS 4 Cb 0.18 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2i8n h LYS 4 CO -0.01 0.76 -0.08 0.00 -3.45 0.00 0.00 179.45 176.68 2i8n h SER 7 N 0.70 0.47 -0.66 0.00 4.64 -1.41 -1.99 113.55 115.30 2i8n h SER 7 Ca 0.12 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2i8n h SER 7 Cb 0.55 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2i8n h SER 7 CO 0.03 0.30 0.44 1.23 -0.87 0.00 0.00 176.83 177.96 2i8n h GLY 8 N 0.53 0.93 0.91 -0.77 0.00 -1.43 0.80 103.07 104.03 2i8n h GLY 8 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2i8n h GLY 8 CO -0.07 0.34 0.10 -2.22 0.00 0.00 0.00 176.54 174.69 2i8n h ILE 9 N 0.89 1.20 -0.51 2.60 2.04 -1.45 -2.60 117.51 119.68 2i8n h ILE 9 Ca 0.24 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2i8n h ILE 9 Cb -0.10 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2i8n h ILE 9 CO -0.05 0.22 0.26 0.25 0.00 0.00 0.00 178.15 178.83 2i8n h LEU 10 N 0.37 0.62 -1.37 1.44 5.85 -1.15 -2.23 115.31 118.84 2i8n h LEU 10 Ca 0.10 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2i8n h LEU 10 Cb 0.25 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2i8n h LEU 10 CO -0.00 0.52 0.47 0.50 -0.34 0.00 0.00 178.44 179.58 2i8n h LYS 11 N 0.71 0.77 -0.75 1.25 3.11 -0.45 -1.78 116.57 119.42 2i8n h LYS 11 Ca 0.18 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2i8n h LYS 11 Cb 0.05 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.06 2i8n h LYS 11 CO -0.03 0.51 0.46 1.49 -2.81 0.00 0.00 179.45 179.07 2i8n h GLU 12 N 0.80 1.02 -0.78 1.90 4.57 -1.27 0.63 114.58 121.44 2i8n h GLU 12 Ca 0.29 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 2i8n h GLU 12 Cb 0.16 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 2i8n h GLU 12 CO -0.09 0.71 0.51 0.52 -1.18 0.00 0.00 179.01 179.48 2i8n h MET 13 N 1.04 0.91 -0.36 1.92 2.86 -1.38 -1.74 114.93 118.18 2i8n h MET 13 Ca 0.27 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2i8n h MET 13 Cb -0.05 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.41 2i8n h MET 13 CO -0.05 0.61 0.00 1.19 1.06 0.00 0.00 176.91 179.71 2i8n n PHE 14 N -4.46 1.07 1.50 -0.22 3.01 -0.71 -3.23 117.46 114.43 2i8n n PHE 14 Ca 0.10 -0.76 0.14 0.00 1.01 0.00 0.00 57.45 57.94 2i8n n PHE 14 Cb 0.13 -0.28 0.53 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.01 2.58 -1.03 4.37 0.00 0.21 -4.91 120.51 121.72 2i8n n ALA 15 Ca 0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 2i8n n ALA 15 Cb 0.85 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.15 -0.13 -0.07 0.00 4.81 -1.26 -4.89 118.16 116.77 2i8n n LYS 16 Ca 0.19 0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.94 2i8n n LYS 16 Cb 0.35 -3.82 -0.08 0.00 0.02 0.00 0.00 35.03 31.51 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2i8n n LYS 17 N -2.87 1.03 0.00 1.64 5.02 -1.25 -4.67 118.16 117.06 2i8n n LYS 17 Ca -0.01 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 2i8n n LYS 17 Cb 0.05 -1.30 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.74 0.00 0.25 2.13 8.25 -1.21 -4.60 115.22 117.30 2i8n n HIS 18 Ca -0.23 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.32 2i8n n HIS 18 Cb 0.82 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.60 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 1.34 1.97 -0.28 -1.41 0.00 -1.77 -1.27 119.26 117.85 2i8n h ALA 19 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2i8n h ALA 19 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2i8n h ALA 19 CO 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.28 2i8n h ALA 20 N 1.99 0.37 -0.14 0.00 0.00 -1.89 0.38 119.26 119.96 2i8n h ALA 20 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2i8n h ALA 20 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2i8n h ALA 20 CO -0.00 0.03 -0.51 1.88 0.00 0.00 0.00 179.25 180.65 2i8n h TYR 21 N 0.28 0.47 -0.53 0.00 -1.99 -1.73 -2.93 116.97 110.54 2i8n h TYR 21 Ca 0.09 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2i8n h TYR 21 Cb 0.29 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2i8n h TYR 21 CO 0.01 0.82 0.00 0.00 -0.00 0.00 0.00 178.16 178.99 2i8n n ALA 22 N -2.49 3.72 0.11 3.88 0.00 -0.53 -4.55 120.51 120.64 2i8n n ALA 22 Ca -0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 2i8n n ALA 22 Cb 0.56 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 3.67 -0.22 0.00 0.00 7.01 -0.05 -2.28 115.95 124.08 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 1.82 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.96 2i8n h TRP 23 CO 0.98 -0.13 0.00 -0.35 -2.79 0.00 0.00 178.44 176.15 2i8n n PRO 24 N -5.19 0.02 -2.17 2.65 -0.04 -1.26 -2.98 135.00 126.03 2i8n n PRO 24 Ca -0.08 0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 2i8n n PRO 24 Cb 0.12 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.48 2.95 -0.04 0.54 7.35 -0.88 -4.71 117.46 121.18 2i8n n PHE 25 Ca 0.04 -2.50 -0.18 0.00 -0.76 0.00 0.00 57.45 54.05 2i8n n PHE 25 Cb 0.17 -0.26 -0.14 0.00 0.35 0.00 0.00 39.48 39.61 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2i8n n TYR 26 N -0.64 0.82 -4.12 -5.13 9.36 -1.07 -4.55 117.16 111.84 2i8n n TYR 26 Ca 0.42 0.19 -0.22 0.00 3.32 0.00 0.00 57.90 61.61 2i8n n TYR 26 Cb 0.87 -1.11 -0.05 0.00 -0.63 0.00 0.00 39.34 38.42 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 -2.55 2.72 0.91 2.98 1.02 -1.26 -4.11 119.74 119.44 2i8n s LYS 27 Ca -0.22 -1.20 -0.15 0.00 0.02 0.00 0.00 55.97 54.42 2i8n s LYS 27 Cb 0.07 -2.44 0.24 0.00 -0.52 0.00 0.00 37.83 35.18 2i8n s LYS 27 CO 0.74 0.34 0.54 -2.30 -0.92 0.00 0.00 175.35 173.74 2i8n n PRO 28 N -1.14 -3.76 -3.21 -1.68 -0.02 -1.26 -4.89 135.00 119.04 2i8n n PRO 28 Ca -0.06 -0.91 -0.45 0.00 -2.02 0.00 0.00 63.50 60.06 2i8n n PRO 28 Cb 0.59 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 2i8n n PRO 28 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2i8n n VAL 29 N -4.73 4.53 -1.75 -1.45 0.24 -1.26 -5.00 118.33 108.91 2i8n n VAL 29 Ca 0.09 -5.24 -0.38 0.00 -2.04 0.00 0.00 64.34 56.77 2i8n n VAL 29 Cb 0.37 -2.53 -0.03 0.00 -1.47 0.00 0.00 33.84 30.18 2i8n n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2i8n s ASP 30 N 1.53 4.87 0.23 -1.34 -1.08 -1.26 -4.84 116.67 114.79 2i8n s ASP 30 Ca 0.34 0.92 -0.06 0.00 -0.52 0.00 0.00 52.55 53.23 2i8n s ASP 30 Cb -0.07 -2.51 0.22 0.00 -1.46 0.00 0.00 42.92 39.09 2i8n s ASP 30 CO -0.05 -2.58 1.82 1.62 0.52 0.00 0.00 175.17 176.50 2i8n h VAL 31 N 7.34 1.25 -0.08 1.11 3.04 -1.94 0.39 116.25 127.36 2i8n h VAL 31 Ca -0.27 -0.75 -0.06 0.00 -1.01 0.00 0.00 66.70 64.61 2i8n h VAL 31 Cb 1.23 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2i8n h VAL 31 CO 1.16 0.32 -0.19 -0.08 -1.01 0.00 0.00 177.57 177.76 2i8n h GLU 32 N 1.15 0.27 -0.04 4.17 4.81 -1.94 0.30 114.58 123.30 2i8n h GLU 32 Ca 0.27 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2i8n h GLU 32 Cb 0.16 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2i8n h GLU 32 CO -0.03 0.79 -0.06 0.00 -0.73 0.00 0.00 179.01 178.98 2i8n h ALA 33 N 0.48 0.06 0.00 2.92 0.00 -1.94 -3.27 119.26 117.51 2i8n h ALA 33 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2i8n h ALA 33 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2i8n h ALA 33 CO 0.04 -0.12 -0.29 -0.07 0.00 0.00 0.00 179.25 178.81 2i8n h LEU 34 N -0.37 0.00 -2.20 0.00 3.38 -0.35 -3.49 115.31 112.29 2i8n h LEU 34 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2i8n h LEU 34 Cb 0.59 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.44 2i8n h LEU 34 CO 0.01 0.15 -0.42 0.61 0.09 0.00 0.00 178.44 178.88 2i8n n GLY 35 N 1.15 -0.05 2.42 0.83 0.00 0.10 -5.01 105.19 104.63 2i8n n GLY 35 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.52 2.78 0.29 0.99 -0.00 -0.89 -4.89 117.00 112.76 2i8n n LEU 36 Ca -0.10 -5.27 0.16 0.00 -0.00 0.00 0.00 56.01 50.81 2i8n n LEU 36 Cb 0.58 -0.23 0.83 0.00 -0.00 0.00 0.00 43.42 44.60 2i8n n LEU 36 CO 0.31 2.12 1.03 0.45 -0.00 0.00 0.00 177.39 181.30 2i8n h HIS 37 N 3.88 0.00 0.00 1.47 3.86 -1.95 -1.84 115.15 120.56 2i8n h HIS 37 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2i8n h HIS 37 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2i8n h HIS 37 CO 0.63 0.06 0.00 -0.44 0.86 0.00 0.00 177.93 179.04 2i8n h ASP 38 N 0.00 0.00 -0.42 2.45 5.19 -1.98 -3.25 116.42 118.40 2i8n h ASP 38 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2i8n h ASP 38 Cb 0.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2i8n h ASP 38 CO 0.01 0.00 0.26 0.22 -3.12 0.00 0.00 179.24 176.60 2i8n h TYR 39 N 0.00 0.55 -0.07 4.55 3.20 -1.74 -0.73 116.97 122.73 2i8n h TYR 39 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2i8n h TYR 39 Cb 0.81 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2i8n h TYR 39 CO 0.00 0.39 -0.13 0.00 -1.64 0.00 0.00 178.16 176.77 2i8n h ASP 41 N 0.10 0.41 0.52 0.00 5.19 -1.50 -3.28 116.42 117.86 2i8n h ASP 41 Ca 0.02 -0.30 -0.29 0.00 -0.62 0.00 0.00 57.03 55.84 2i8n h ASP 41 Cb 0.30 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2i8n h ASP 41 CO 0.02 1.06 -1.46 0.40 -3.12 0.00 0.00 179.24 176.14 2i8n h ILE 42 N 0.21 1.23 -3.56 0.35 2.04 -0.57 -3.45 117.51 113.75 2i8n h ILE 42 Ca -0.04 -2.88 -0.63 0.00 1.00 0.00 0.00 64.86 62.31 2i8n h ILE 42 Cb 1.40 2.77 -0.17 0.00 -0.74 0.00 0.00 36.82 40.08 2i8n h ILE 42 CO 0.13 0.82 -0.55 -0.63 0.00 0.00 0.00 178.15 177.93 2i8n s ILE 43 N -2.63 4.98 -0.03 -0.67 -1.09 0.15 -4.98 121.20 116.94 2i8n s ILE 43 Ca -0.07 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2i8n s ILE 43 Cb 0.07 -3.31 -0.25 0.00 -1.58 0.00 0.00 42.46 37.39 2i8n s ILE 43 CO 0.85 0.36 0.74 0.07 -1.23 0.00 0.00 174.94 175.73 2i8n h LYS 44 N 7.57 0.11 -2.53 2.79 2.10 -1.87 -3.42 116.57 121.32 2i8n h LYS 44 Ca -0.37 -0.19 -0.60 0.00 -2.00 0.00 0.00 60.65 57.48 2i8n h LYS 44 Cb 1.17 0.07 -0.41 0.00 -0.90 0.00 0.00 32.23 32.16 2i8n h LYS 44 CO 0.64 0.84 -0.70 0.72 -2.00 0.00 0.00 179.45 178.94 2i8n n HIS 45 N -3.26 2.35 -1.67 0.07 8.25 -1.26 -5.10 115.22 114.60 2i8n n HIS 45 Ca -0.17 -4.02 -0.46 0.00 -0.26 0.00 0.00 57.72 52.80 2i8n n HIS 45 Cb 1.04 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 2i8n n HIS 45 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2i8n n PRO 46 N 1.62 2.15 -3.72 -0.41 -0.02 -1.26 -4.88 135.00 128.48 2i8n n PRO 46 Ca 0.25 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.37 2i8n n PRO 46 Cb 0.41 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 2i8n n PRO 46 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2i8n s MET 47 N 1.25 0.55 0.14 -0.52 1.75 -1.26 -5.13 119.30 116.07 2i8n s MET 47 Ca 0.80 0.52 0.02 0.00 -1.25 0.00 0.00 55.69 55.78 2i8n s MET 47 Cb -0.68 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.21 2i8n s MET 47 CO 0.39 -0.08 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.15 2i8n s ASP 48 N 0.03 1.16 0.29 1.11 1.11 -1.26 -4.90 116.67 114.21 2i8n s ASP 48 Ca -0.02 -1.11 0.03 0.00 0.18 0.00 0.00 52.55 51.63 2i8n s ASP 48 Cb -0.03 0.11 0.62 0.00 1.07 0.00 0.00 42.92 44.70 2i8n s ASP 48 CO 0.01 -0.53 1.82 0.24 1.18 0.00 0.00 175.17 177.89 2i8n h MET 49 N 2.80 0.89 -0.58 8.23 2.86 -1.87 0.16 114.93 127.42 2i8n h MET 49 Ca -0.36 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.17 2i8n h MET 49 Cb 1.19 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 2i8n h MET 49 CO 0.63 0.59 0.12 1.03 1.06 0.00 0.00 176.91 180.35 2i8n h SER 50 N 0.92 0.85 0.17 1.22 0.87 -1.87 0.19 113.55 115.89 2i8n h SER 50 Ca 0.52 -0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.71 2i8n h SER 50 Cb 0.63 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2i8n h SER 50 CO -0.30 0.84 -0.80 0.74 -0.53 0.00 0.00 176.83 176.78 2i8n h THR 51 N 0.86 1.36 -0.16 2.23 2.02 -1.33 -2.55 112.91 115.34 2i8n h THR 51 Ca 0.18 -2.17 -0.11 0.00 0.77 0.00 0.00 66.41 65.09 2i8n h THR 51 Cb 0.33 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2i8n h THR 51 CO 0.00 0.66 -0.33 0.40 0.37 0.00 0.00 175.52 176.62 2i8n h ILE 52 N 0.33 1.35 -0.58 3.11 2.04 -0.57 -3.20 117.51 120.00 2i8n h ILE 52 Ca -0.05 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 2i8n h ILE 52 Cb 1.40 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 2i8n h ILE 52 CO 0.14 0.48 0.12 0.11 0.00 0.00 0.00 178.15 179.00 2i8n h LYS 53 N 0.13 0.91 -0.91 2.37 1.57 -1.03 -2.81 116.57 116.80 2i8n h LYS 53 Ca 0.00 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2i8n h LYS 53 Cb 0.93 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 2i8n h LYS 53 CO 0.07 0.82 0.59 0.66 -0.57 0.00 0.00 179.45 181.03 2i8n h SER 54 N 0.86 0.94 -0.17 0.86 4.64 -1.48 -0.09 113.55 119.11 2i8n h SER 54 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2i8n h SER 54 Cb 0.34 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2i8n h SER 54 CO 0.00 0.62 0.11 0.11 -0.87 0.00 0.00 176.83 176.80 2i8n h LYS 55 N 1.07 0.23 -0.41 4.77 1.57 -1.49 -1.60 116.57 120.71 2i8n h LYS 55 Ca 0.38 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 2i8n h LYS 55 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2i8n h LYS 55 CO -0.13 0.17 0.10 1.25 -0.57 0.00 0.00 179.45 180.27 2i8n h LEU 56 N 0.22 0.56 -0.93 2.94 5.85 -1.36 0.49 115.31 123.08 2i8n h LEU 56 Ca 0.06 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2i8n h LEU 56 Cb -0.01 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2i8n h LEU 56 CO -0.01 0.55 0.26 -0.33 -0.34 0.00 0.00 178.44 178.57 2i8n h GLU 57 N 0.59 1.04 -0.58 1.25 5.08 -0.40 -2.25 114.58 119.30 2i8n h GLU 57 Ca 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2i8n h GLU 57 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2i8n h GLU 57 CO -0.00 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 2i8n n ALA 58 N -2.44 2.82 -2.18 3.43 0.00 -0.66 -4.89 120.51 116.58 2i8n n ALA 58 Ca 0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2i8n n ALA 58 Cb 0.19 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 0.41 -1.64 0.09 0.00 3.00 -0.85 -4.87 116.66 112.81 2i8n n ARG 59 Ca 0.13 1.06 -0.08 0.00 -0.00 0.00 0.00 57.85 58.95 2i8n n ARG 59 Cb 0.51 -5.64 -0.02 0.00 0.00 0.00 0.00 32.46 27.30 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2i8n h GLU 60 N 0.00 0.16 -6.21 -0.14 5.08 -1.13 -3.42 114.58 108.92 2i8n h GLU 60 Ca -0.47 -0.19 -0.54 0.00 -1.00 0.00 0.00 59.36 57.16 2i8n h GLU 60 Cb 1.36 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 2i8n h GLU 60 CO 0.59 0.96 1.25 0.71 -1.00 0.00 0.00 179.01 181.52 2i8n s TYR 61 N -3.12 1.90 0.45 4.33 2.02 -1.24 -4.85 117.35 116.84 2i8n s TYR 61 Ca -0.02 0.66 0.13 0.00 -0.37 0.00 0.00 57.07 57.47 2i8n s TYR 61 Cb 0.10 -4.19 1.01 0.00 -0.40 0.00 0.00 41.96 38.48 2i8n s TYR 61 CO 0.83 -2.40 2.02 0.00 -1.57 0.00 0.00 175.55 174.42 2i8n h ARG 62 N 13.12 0.09 -2.48 -0.62 3.08 -1.97 -3.46 114.38 122.15 2i8n h ARG 62 Ca -0.29 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 59.90 2i8n h ARG 62 Cb 1.14 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 2i8n h ARG 62 CO 1.14 0.20 0.47 0.34 -1.07 0.00 0.00 179.97 181.05 2i8n s ASP 63 N -6.97 -0.13 0.44 7.04 -1.08 -1.26 -5.02 116.67 109.69 2i8n s ASP 63 Ca -0.05 -0.53 0.30 0.00 -0.52 0.00 0.00 52.55 51.75 2i8n s ASP 63 Cb 0.16 0.54 1.32 0.00 -1.46 0.00 0.00 42.92 43.47 2i8n s ASP 63 CO 0.70 -1.01 1.90 0.00 0.52 0.00 0.00 175.17 177.27 2i8n h ALA 64 N 2.00 1.00 -0.56 3.66 0.00 -1.89 -2.95 119.26 120.51 2i8n h ALA 64 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 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 0.28 0.00 0.25 0.37 0.00 0.00 0.00 179.25 180.15 2i8n h GLN 65 N 0.00 0.83 -0.15 0.00 5.75 -1.99 -1.19 115.11 118.36 2i8n h GLN 65 Ca 0.00 -0.14 -0.15 0.00 -0.15 0.00 0.00 58.65 58.22 2i8n h GLN 65 Cb 0.37 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2i8n h GLN 65 CO 0.00 0.70 -0.53 1.49 -2.65 0.00 0.00 178.83 177.84 2i8n h GLU 66 N 0.77 0.42 0.30 1.69 4.81 -1.94 -2.98 114.58 117.64 2i8n h GLU 66 Ca 0.19 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2i8n h GLU 66 Cb 0.16 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2i8n h GLU 66 CO -0.02 0.85 -0.14 0.35 -0.73 0.00 0.00 179.01 179.31 2i8n h PHE 67 N 0.33 -0.37 -0.51 0.92 3.04 -1.48 -2.59 116.94 116.28 2i8n h PHE 67 Ca 0.01 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2i8n h PHE 67 Cb 1.03 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 2i8n h PHE 67 CO 0.03 -0.14 0.35 0.78 -2.02 0.00 0.00 178.31 177.31 2i8n h GLY 68 N -0.54 0.49 0.91 2.40 0.00 -1.27 -2.05 103.07 103.01 2i8n h GLY 68 Ca -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2i8n h GLY 68 CO 0.07 0.11 0.04 0.00 0.00 0.00 0.00 176.54 176.76 2i8n h ALA 69 N 1.73 0.45 -0.04 3.60 0.00 -1.35 -2.46 119.26 121.19 2i8n h ALA 69 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2i8n h ALA 69 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2i8n h ALA 69 CO -0.06 0.17 -0.31 -0.44 0.00 0.00 0.00 179.25 178.61 2i8n h ASP 70 N 0.40 0.08 -0.15 0.00 3.32 -1.00 -2.09 116.42 116.98 2i8n h ASP 70 Ca 0.10 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2i8n h ASP 70 Cb 0.37 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2i8n h ASP 70 CO 0.01 0.40 -0.03 0.58 -1.72 0.00 0.00 179.24 178.48 2i8n h VAL 71 N 0.07 1.28 -0.74 -1.35 2.07 -1.21 -1.40 116.25 114.97 2i8n h VAL 71 Ca 0.01 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2i8n h VAL 71 Cb 0.60 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2i8n h VAL 71 CO 0.04 0.28 0.34 0.03 0.02 0.00 0.00 177.57 178.28 2i8n h ARG 72 N -0.01 1.07 -0.21 1.57 3.08 -1.30 -0.73 114.38 117.86 2i8n h ARG 72 Ca 0.04 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2i8n h ARG 72 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2i8n h ARG 72 CO 0.01 0.85 0.10 1.25 -1.07 0.00 0.00 179.97 181.11 2i8n h LEU 73 N 1.04 0.27 -0.36 3.04 5.85 -1.32 -0.19 115.31 123.64 2i8n h LEU 73 Ca 0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2i8n h LEU 73 Cb 0.14 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2i8n h LEU 73 CO -0.03 0.31 0.19 -0.03 -0.34 0.00 0.00 178.44 178.54 2i8n h MET 74 N 0.21 0.51 -0.67 1.25 4.05 -1.07 -1.50 114.93 117.71 2i8n h MET 74 Ca 0.07 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2i8n h MET 74 Cb 0.11 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 2i8n h MET 74 CO -0.01 0.43 0.35 0.74 0.23 0.00 0.00 176.91 178.65 2i8n h PHE 75 N 0.45 0.93 -0.61 1.39 0.04 -1.00 0.39 116.94 118.53 2i8n h PHE 75 Ca 0.13 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2i8n h PHE 75 Cb 0.08 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2i8n h PHE 75 CO -0.02 0.68 0.27 0.77 -0.60 0.00 0.00 178.31 179.41 2i8n h SER 76 N 0.92 0.81 -0.04 2.17 0.02 -0.82 0.42 113.55 117.03 2i8n h SER 76 Ca 0.23 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2i8n h SER 76 Cb 0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2i8n h SER 76 CO -0.03 0.73 -0.24 0.78 -1.14 0.00 0.00 176.83 176.92 2i8n h ASN 77 N 0.83 0.27 -0.73 3.07 -0.26 -1.02 -3.19 115.58 114.54 2i8n h ASN 77 Ca 0.21 -0.68 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 2i8n h ASN 77 Cb 0.15 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 2i8n h ASN 77 CO -0.02 0.91 0.48 0.00 -1.06 0.00 0.00 177.43 177.74 2i8n h TYR 79 N 1.00 0.39 -0.52 0.00 3.20 -0.96 0.05 116.97 120.13 2i8n h TYR 79 Ca 0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2i8n h TYR 79 Cb -0.10 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 2i8n h TYR 79 CO 0.00 0.28 0.26 -0.22 -1.64 0.00 0.00 178.16 176.84 2i8n h LYS 80 N 0.41 0.72 0.08 1.82 3.64 -1.32 -2.79 116.57 119.14 2i8n h LYS 80 Ca 0.11 -0.08 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 2i8n h LYS 80 Cb 0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2i8n h LYS 80 CO -0.02 0.56 -1.54 -0.92 -2.27 0.00 0.00 179.45 175.26 2i8n h TYR 81 N 0.73 0.29 -1.74 1.91 3.20 -1.34 -3.45 116.97 116.56 2i8n h TYR 81 Ca 0.18 -0.21 -0.61 0.00 3.14 0.00 0.00 58.73 61.23 2i8n h TYR 81 Cb 0.07 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2i8n h TYR 81 CO 0.01 1.28 1.42 0.09 -1.64 0.00 0.00 178.16 179.31 2i8n n ASN 82 N -3.35 3.00 -4.61 -2.11 3.02 -0.08 -4.93 115.26 106.20 2i8n n ASN 82 Ca -0.16 0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2i8n n ASN 82 Cb 1.03 -1.45 0.10 0.00 -0.61 0.00 0.00 39.78 38.85 2i8n n ASN 82 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2i8n n PRO 83 N 8.31 0.38 -2.39 3.52 -0.02 -1.26 -4.94 135.00 138.59 2i8n n PRO 83 Ca 0.32 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2i8n n PRO 83 Cb 0.36 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.47 4.52 -1.12 0.52 0.04 -1.26 -3.81 135.00 130.42 2i8n s PRO 84 Ca 0.72 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 63.58 2i8n s PRO 84 Cb -0.33 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2i8n s PRO 84 CO 0.52 -0.02 0.95 -3.47 0.04 0.00 0.00 177.00 175.01 2i8n n ASP 85 N 2.18 -4.51 -4.34 6.66 2.03 -1.26 -5.03 116.55 112.28 2i8n n ASP 85 Ca 0.03 -0.68 -0.27 0.00 0.52 0.00 0.00 54.79 54.38 2i8n n ASP 85 Cb 0.45 -5.11 -0.13 0.00 -0.72 0.00 0.00 41.12 35.60 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 -3.39 2.13 0.21 -0.67 2.46 -1.25 -5.04 115.29 109.74 2i8n s HIS 86 Ca 0.25 -0.39 -0.09 0.00 0.47 0.00 0.00 55.06 55.29 2i8n s HIS 86 Cb -0.03 -1.18 0.24 0.00 -0.13 0.00 0.00 32.58 31.47 2i8n s HIS 86 CO 0.74 0.25 1.81 0.93 -2.47 0.00 0.00 174.74 175.99 2i8n h GLU 87 N 4.17 0.66 -0.29 2.88 3.07 -1.96 -1.43 114.58 121.68 2i8n h GLU 87 Ca -0.48 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.32 2i8n h GLU 87 Cb 1.17 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 2i8n h GLU 87 CO 0.40 0.43 0.10 -0.39 -1.40 0.00 0.00 179.01 178.16 2i8n h VAL 88 N 0.68 1.12 -0.37 3.13 -1.51 -1.96 -2.55 116.25 114.79 2i8n h VAL 88 Ca 0.30 -0.39 -0.05 0.00 -1.23 0.00 0.00 66.70 65.33 2i8n h VAL 88 Cb 0.19 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2i8n h VAL 88 CO -0.18 0.15 0.04 0.58 -1.23 0.00 0.00 177.57 176.92 2i8n h VAL 89 N 0.40 1.25 -0.90 7.19 2.07 -1.58 -2.34 116.25 122.34 2i8n h VAL 89 Ca 0.10 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.80 2i8n h VAL 89 Cb 0.10 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2i8n h VAL 89 CO -0.01 0.30 0.58 0.00 0.02 0.00 0.00 177.57 178.46 2i8n h ALA 90 N 0.90 1.52 -0.49 1.67 0.00 -1.05 -1.67 119.26 120.14 2i8n h ALA 90 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2i8n h ALA 90 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2i8n h ALA 90 CO 0.01 0.34 0.03 0.52 0.00 0.00 0.00 179.25 180.15 2i8n h MET 91 N 1.01 0.84 -0.25 0.00 2.86 -1.30 -2.34 114.93 115.76 2i8n h MET 91 Ca 0.39 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2i8n h MET 91 Cb 0.21 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2i8n h MET 91 CO -0.15 0.87 0.15 0.00 1.06 0.00 0.00 176.91 178.84 2i8n h ALA 92 N 0.94 0.31 -0.60 6.32 0.00 -0.79 -1.48 119.26 123.97 2i8n h ALA 92 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2i8n h ALA 92 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2i8n h ALA 92 CO 0.02 -0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.42 2i8n h ARG 93 N 0.31 0.77 -0.82 0.00 3.08 -1.29 -1.48 114.38 114.95 2i8n h ARG 93 Ca 0.10 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2i8n h ARG 93 Cb -0.01 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 2i8n h ARG 93 CO -0.04 0.51 0.53 -0.22 -1.07 0.00 0.00 179.97 179.68 2i8n h LYS 94 N 0.79 1.04 -0.30 0.04 3.64 -1.12 -1.22 116.57 119.43 2i8n h LYS 94 Ca 0.22 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2i8n h LYS 94 Cb -0.07 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 2i8n h LYS 94 CO -0.06 0.69 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.65 2i8n h LEU 95 N 1.07 0.48 -0.26 5.20 3.38 -0.76 -1.70 115.31 122.73 2i8n h LEU 95 Ca 0.31 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2i8n h LEU 95 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2i8n h LEU 95 CO -0.08 0.62 -0.19 -0.61 0.09 0.00 0.00 178.44 178.26 2i8n h GLN 96 N 0.47 0.59 -0.23 1.13 4.15 -0.55 -1.51 115.11 119.16 2i8n h GLN 96 Ca 0.09 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 2i8n h GLN 96 Cb 0.45 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2i8n h GLN 96 CO 0.02 0.87 0.09 0.22 -1.93 0.00 0.00 178.83 178.10 2i8n h ASP 97 N 0.32 0.32 -0.55 -0.69 1.82 -1.06 0.05 116.42 116.63 2i8n h ASP 97 Ca 0.05 -0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.48 2i8n h ASP 97 Cb 0.73 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 2i8n h ASP 97 CO 0.05 0.41 0.19 1.62 -1.61 0.00 0.00 179.24 179.90 2i8n h VAL 98 N 0.22 1.23 0.08 2.25 3.04 -1.34 -0.23 116.25 121.49 2i8n h VAL 98 Ca 0.08 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2i8n h VAL 98 Cb 0.19 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2i8n h VAL 98 CO -0.01 0.28 -0.04 0.15 -1.01 0.00 0.00 177.57 176.95 2i8n h PHE 99 N 0.75 -0.09 -0.58 3.17 3.04 -1.16 -1.13 116.94 120.93 2i8n h PHE 99 Ca 0.18 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 2i8n h PHE 99 Cb 0.25 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 2i8n h PHE 99 CO 0.01 0.10 0.38 1.49 -2.02 0.00 0.00 178.31 178.28 2i8n h GLU 100 N -0.28 0.75 -0.19 1.11 4.22 -0.92 0.27 114.58 119.53 2i8n h GLU 100 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2i8n h GLU 100 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2i8n h GLU 100 CO 0.02 0.49 0.13 0.52 -2.18 0.00 0.00 179.01 177.99 2i8n h MET 101 N 0.77 0.25 -0.43 1.92 2.86 -0.96 0.17 114.93 119.51 2i8n h MET 101 Ca 0.22 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2i8n h MET 101 Cb -0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2i8n h MET 101 CO -0.06 0.17 -0.04 0.00 1.06 0.00 0.00 176.91 178.04 2i8n h ARG 102 N 0.26 0.79 -0.26 1.72 -0.00 -0.92 -1.15 114.38 114.82 2i8n h ARG 102 Ca 0.07 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.98 59.27 2i8n h ARG 102 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 29.87 2i8n h ARG 102 CO -0.02 0.87 0.12 0.35 0.00 0.00 0.00 179.97 181.30 2i8n h PHE 103 N 0.62 0.38 -0.38 3.04 3.57 -0.27 0.72 116.94 124.62 2i8n h PHE 103 Ca 0.12 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2i8n h PHE 103 Cb 0.54 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2i8n h PHE 103 CO 0.04 0.37 -0.07 0.00 -2.23 0.00 0.00 178.31 176.42 2i8n h ALA 104 N 0.97 1.16 -0.17 2.41 0.00 -0.63 -0.75 119.26 122.26 2i8n h ALA 104 Ca 0.09 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2i8n h ALA 104 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2i8n h ALA 104 CO -0.01 0.54 -0.39 -0.22 0.00 0.00 0.00 179.25 179.17 2i8n h LYS 105 N 0.60 0.56 -0.16 0.00 3.11 -0.97 0.39 116.57 120.10 2i8n h LYS 105 Ca 0.11 -0.38 -0.13 0.00 -2.81 0.00 0.00 60.65 57.45 2i8n h LYS 105 Cb 0.49 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 2i8n h LYS 105 CO 0.03 0.99 -0.44 0.00 -2.81 0.00 0.00 179.45 177.22 2i8n h MET 106 N 0.21 0.39 0.15 1.90 -0.00 -0.76 -3.26 114.93 113.56 2i8n h MET 106 Ca -0.00 -0.21 -0.30 0.00 -0.00 0.00 0.00 59.70 59.19 2i8n h MET 106 Cb 0.99 0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.61 2i8n h MET 106 CO 0.08 0.76 -1.51 1.25 -0.00 0.00 0.00 176.91 177.50 2i8n h LEU 107 N 0.32 0.51 0.00 -0.10 6.46 -1.17 -3.51 115.31 117.82 2i8n h LEU 107 Ca 0.02 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 2i8n h LEU 107 Cb 0.91 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2i8n h LEU 107 CO 0.08 1.68 0.00 0.00 -0.62 0.00 0.00 178.44 179.57