#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 0.80 -0.76 5.31 4.20 -2.01 -1.15 115.11 121.50 2i8n h GLN 2 Ca 0.00 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 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 0.79 0.32 -0.07 -0.67 0.00 0.00 178.83 179.20 2i8n h LEU 3 N 0.75 1.04 -0.42 1.46 3.38 -1.98 0.13 115.31 119.68 2i8n h LEU 3 Ca 0.15 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2i8n h LEU 3 Cb 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2i8n h LEU 3 CO 0.02 0.92 -0.71 0.50 0.09 0.00 0.00 178.44 179.26 2i8n h LYS 4 N 1.10 0.43 -0.01 1.13 1.63 -1.94 -2.56 116.57 116.34 2i8n h LYS 4 Ca 0.26 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2i8n h LYS 4 Cb 0.19 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2i8n h LYS 4 CO -0.02 0.97 -0.00 0.00 -3.45 0.00 0.00 179.45 176.94 2i8n h SER 7 N 0.90 0.75 -0.25 0.00 0.87 -1.43 -1.43 113.55 112.96 2i8n h SER 7 Ca 0.23 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2i8n h SER 7 Cb 0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2i8n h SER 7 CO -0.03 0.46 0.14 1.23 -0.53 0.00 0.00 176.83 178.09 2i8n h GLY 8 N 0.83 0.34 1.15 5.77 0.00 -1.30 0.10 103.07 109.96 2i8n h GLY 8 Ca 0.38 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 2i8n h GLY 8 CO -0.15 0.10 0.18 -2.22 0.00 0.00 0.00 176.54 174.45 2i8n h ILE 9 N 0.29 1.25 -0.50 2.60 2.04 -1.43 -2.25 117.51 119.52 2i8n h ILE 9 Ca 0.10 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2i8n h ILE 9 Cb -0.00 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2i8n h ILE 9 CO -0.05 0.35 0.19 0.25 0.00 0.00 0.00 178.15 178.89 2i8n h LEU 10 N 1.01 0.65 -2.00 1.44 7.12 -0.78 -2.13 115.31 120.62 2i8n h LEU 10 Ca 0.22 -0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2i8n h LEU 10 Cb 0.33 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 2i8n h LEU 10 CO -0.00 0.60 0.14 0.50 -0.13 0.00 0.00 178.44 179.54 2i8n h LYS 11 N 0.71 0.00 -0.72 1.25 3.64 -0.18 -1.48 116.57 119.79 2i8n h LYS 11 Ca 0.17 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2i8n h LYS 11 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2i8n h LYS 11 CO -0.01 0.00 0.48 0.93 -2.27 0.00 0.00 179.45 178.57 2i8n h GLU 12 N 0.00 0.82 -0.78 1.90 5.08 -1.36 0.70 114.58 120.94 2i8n h GLU 12 Ca 0.09 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2i8n h GLU 12 Cb 0.36 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 12 CO -0.00 0.55 0.51 0.52 -1.00 0.00 0.00 179.01 179.58 2i8n h MET 13 N 0.85 0.79 -0.26 2.33 2.86 -1.40 0.38 114.93 120.48 2i8n h MET 13 Ca 0.30 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2i8n h MET 13 Cb 0.11 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2i8n h MET 13 CO -0.09 0.52 0.00 0.34 1.06 0.00 0.00 176.91 178.75 2i8n n PHE 14 N -4.49 0.43 -0.98 -0.22 -0.00 -0.57 -1.86 117.46 109.77 2i8n n PHE 14 Ca 0.12 -0.57 0.02 0.00 -0.00 0.00 0.00 57.45 57.02 2i8n n PHE 14 Cb 0.23 -0.07 0.35 0.00 -0.00 0.00 0.00 39.48 40.00 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 0.13 4.13 -1.57 3.13 0.00 0.23 -4.90 120.51 121.66 2i8n n ALA 15 Ca 0.11 -2.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.25 2i8n n ALA 15 Cb 0.46 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.20 -1.06 -0.04 0.00 5.02 -1.25 -4.84 118.16 116.18 2i8n n LYS 16 Ca 0.33 0.98 -0.04 0.00 -2.02 0.00 0.00 58.31 57.55 2i8n n LYS 16 Cb 1.26 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 31.06 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 -2.54 2.55 -1.39 1.97 5.02 -1.09 -4.76 118.16 117.91 2i8n n LYS 17 Ca -0.15 -0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.14 2i8n n LYS 17 Cb 0.51 -1.22 -0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.33 0.01 0.07 2.13 -0.00 0.07 -4.90 115.22 110.27 2i8n n HIS 18 Ca -0.14 -0.52 -0.23 0.00 0.46 0.00 0.00 57.72 57.28 2i8n n HIS 18 Cb 0.78 0.03 -0.15 0.00 -0.12 0.00 0.00 29.99 30.53 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 0.76 0.07 -0.52 1.57 0.00 -1.50 -2.64 119.26 117.00 2i8n h ALA 19 Ca -0.32 -1.03 -0.12 0.00 0.00 0.00 0.00 54.91 53.44 2i8n h ALA 19 Cb 1.76 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 2i8n h ALA 19 CO -0.00 0.85 -0.12 0.00 0.00 0.00 0.00 179.25 179.98 2i8n h ALA 20 N 0.08 0.72 -0.02 0.00 0.00 -1.91 0.50 119.26 118.63 2i8n h ALA 20 Ca -0.30 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2i8n h ALA 20 Cb 2.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2i8n h ALA 20 CO 0.17 0.64 -0.71 1.88 0.00 0.00 0.00 179.25 181.23 2i8n h TYR 21 N 0.87 0.17 -0.39 0.00 0.05 -1.93 -3.21 116.97 112.54 2i8n h TYR 21 Ca 0.13 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 2i8n h TYR 21 Cb 0.69 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.33 2i8n h TYR 21 CO 0.05 0.79 0.04 0.00 -1.05 0.00 0.00 178.16 177.99 2i8n n ALA 22 N -2.44 3.82 0.03 3.88 0.00 -1.00 -4.68 120.51 120.12 2i8n n ALA 22 Ca -0.02 -2.66 -0.13 0.00 0.00 0.00 0.00 53.44 50.63 2i8n n ALA 22 Cb 0.69 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 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 1.56 -0.10 0.00 0.00 2.91 -0.00 -3.05 115.95 117.27 2i8n h TRP 23 Ca 0.15 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 2i8n h TRP 23 Cb 1.72 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.40 2i8n h TRP 23 CO 0.85 0.34 -0.02 -1.00 -1.03 0.00 0.00 178.44 177.59 2i8n h PRO 24 N -0.58 0.00 -0.88 2.65 0.13 -1.83 -3.29 132.00 128.20 2i8n h PRO 24 Ca -0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.54 2i8n h PRO 24 Cb 0.49 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.31 2i8n h PRO 24 CO 0.02 0.00 0.39 1.19 -0.23 0.00 0.00 178.00 179.37 2i8n n PHE 25 N -2.98 2.88 -0.08 1.56 3.01 -1.24 -4.49 117.46 116.12 2i8n n PHE 25 Ca 0.04 -2.54 -0.16 0.00 1.01 0.00 0.00 57.45 55.80 2i8n n PHE 25 Cb 0.52 -1.05 -0.07 0.00 -0.01 0.00 0.00 39.48 38.87 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 -0.93 0.00 -2.70 1.38 9.36 -1.15 -4.44 117.16 118.67 2i8n n TYR 26 Ca 0.55 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.45 2i8n n TYR 26 Cb 0.92 -0.62 -0.05 0.00 -0.63 0.00 0.00 39.34 38.96 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 -2.32 4.02 1.40 2.98 1.02 -1.26 -2.21 119.74 123.37 2i8n s LYS 27 Ca -0.23 0.90 -0.23 0.00 0.02 0.00 0.00 55.97 56.43 2i8n s LYS 27 Cb 0.08 -2.23 0.36 0.00 -0.52 0.00 0.00 37.83 35.52 2i8n s LYS 27 CO 0.33 -0.10 0.97 -2.14 -0.92 0.00 0.00 175.35 173.49 2i8n s PRO 28 N -3.60 -2.73 -1.19 -1.68 0.02 -1.26 -4.80 135.00 119.76 2i8n s PRO 28 Ca 0.58 0.03 -0.05 0.00 0.02 0.00 0.00 61.00 61.57 2i8n s PRO 28 Cb -0.10 -1.41 0.23 0.00 0.02 0.00 0.00 34.50 33.24 2i8n s PRO 28 CO 0.23 -4.72 1.86 1.33 -0.33 0.00 0.00 177.00 175.37 2i8n n VAL 29 N -5.50 5.15 -1.55 3.83 0.24 -1.26 -4.98 118.33 114.27 2i8n n VAL 29 Ca 0.14 -5.13 -0.37 0.00 -2.04 0.00 0.00 64.34 56.94 2i8n n VAL 29 Cb 0.60 -2.07 -0.04 0.00 -1.47 0.00 0.00 33.84 30.86 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 1.95 2.14 -0.04 -1.34 9.92 -1.26 -4.81 116.55 123.10 2i8n n ASP 30 Ca 0.42 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 2i8n n ASP 30 Cb 0.31 -1.53 0.30 0.00 -0.64 0.00 0.00 41.12 39.56 2i8n n ASP 30 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2i8n h VAL 31 N 7.73 1.18 -0.07 2.53 3.04 -1.93 0.39 116.25 129.12 2i8n h VAL 31 Ca -0.22 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 64.80 2i8n h VAL 31 Cb 1.27 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2i8n h VAL 31 CO 1.18 0.23 -0.15 -0.08 -1.01 0.00 0.00 177.57 177.74 2i8n h GLU 32 N 0.62 0.22 -0.07 4.17 4.81 -1.94 0.34 114.58 122.73 2i8n h GLU 32 Ca 0.15 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2i8n h GLU 32 Cb 0.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2i8n h GLU 32 CO -0.01 0.74 -0.20 0.00 -0.73 0.00 0.00 179.01 178.81 2i8n h ALA 33 N 0.48 0.11 0.00 2.92 0.00 -1.93 -3.28 119.26 117.56 2i8n h ALA 33 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2i8n h ALA 33 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2i8n h ALA 33 CO 0.03 0.07 -0.26 -0.07 0.00 0.00 0.00 179.25 179.03 2i8n h LEU 34 N -0.25 0.00 -2.62 0.00 3.38 -0.34 -3.49 115.31 111.99 2i8n h LEU 34 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2i8n h LEU 34 Cb 0.82 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.70 2i8n h LEU 34 CO 0.04 0.14 -0.56 0.61 0.09 0.00 0.00 178.44 178.77 2i8n n GLY 35 N 1.15 -0.54 2.41 0.83 0.00 0.12 -5.01 105.19 104.14 2i8n n GLY 35 Ca 0.03 0.32 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.63 2.58 0.28 0.99 -0.00 -0.98 -4.90 117.00 112.35 2i8n n LEU 36 Ca -0.05 -5.18 0.16 0.00 -0.00 0.00 0.00 56.01 50.95 2i8n n LEU 36 Cb 0.58 -0.29 0.83 0.00 -0.00 0.00 0.00 43.42 44.54 2i8n n LEU 36 CO 0.40 2.02 1.03 1.12 -0.00 0.00 0.00 177.39 181.96 2i8n h HIS 37 N 4.31 0.00 0.00 1.47 2.07 -1.95 -1.97 115.15 119.08 2i8n h HIS 37 Ca 0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.68 2i8n h HIS 37 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 2i8n h HIS 37 CO 0.61 0.06 0.00 0.38 -3.07 0.00 0.00 177.93 175.91 2i8n h ASP 38 N 0.00 0.00 -0.78 3.10 2.03 -1.99 -3.24 116.42 115.54 2i8n h ASP 38 Ca -0.00 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.35 2i8n h ASP 38 Cb 0.32 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.76 2i8n h ASP 38 CO 0.01 0.00 0.47 0.22 -1.03 0.00 0.00 179.24 178.91 2i8n h TYR 39 N 0.00 0.88 -0.71 4.15 5.03 -1.73 -1.49 116.97 123.10 2i8n h TYR 39 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2i8n h TYR 39 Cb 0.80 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 2i8n h TYR 39 CO 0.00 0.46 0.46 0.00 -1.32 0.00 0.00 178.16 177.76 2i8n h ASP 41 N 0.97 0.98 0.06 0.00 3.58 -1.47 -3.28 116.42 117.27 2i8n h ASP 41 Ca 0.26 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2i8n h ASP 41 Cb -0.09 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.68 2i8n h ASP 41 CO -0.05 1.21 -0.03 0.40 -2.88 0.00 0.00 179.24 177.89 2i8n h ILE 42 N 0.78 1.25 -3.23 2.25 2.04 -0.76 -3.44 117.51 116.40 2i8n h ILE 42 Ca 0.08 -1.33 -0.54 0.00 1.00 0.00 0.00 64.86 64.06 2i8n h ILE 42 Cb 0.91 2.08 -0.37 0.00 -0.74 0.00 0.00 36.82 38.70 2i8n h ILE 42 CO 0.08 0.32 -0.80 -0.63 0.00 0.00 0.00 178.15 177.12 2i8n s ILE 43 N -3.61 1.09 0.16 -0.67 1.01 0.62 -5.01 121.20 114.80 2i8n s ILE 43 Ca -0.15 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2i8n s ILE 43 Cb 0.00 -1.16 -0.16 0.00 0.01 0.00 0.00 42.46 41.15 2i8n s ILE 43 CO 0.60 0.28 1.37 0.07 0.00 0.00 0.00 174.94 177.26 2i8n h LYS 44 N 8.15 0.02 -3.06 2.79 2.10 -1.81 -3.37 116.57 121.40 2i8n h LYS 44 Ca -0.28 -0.03 -0.69 0.00 -2.00 0.00 0.00 60.65 57.65 2i8n h LYS 44 Cb 1.12 0.01 -0.37 0.00 -0.90 0.00 0.00 32.23 32.10 2i8n h LYS 44 CO 0.41 0.90 -0.15 1.58 -2.00 0.00 0.00 179.45 180.19 2i8n n HIS 45 N -3.50 3.80 -1.99 0.07 -0.00 -1.26 -5.06 115.22 107.29 2i8n n HIS 45 Ca -0.01 -4.01 -0.33 0.00 0.46 0.00 0.00 57.72 53.83 2i8n n HIS 45 Cb 0.85 -0.98 0.02 0.00 -0.12 0.00 0.00 29.99 29.76 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 -1.73 3.12 -0.19 1.57 0.04 -1.26 -5.00 135.00 131.55 2i8n s PRO 46 Ca 0.30 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 2i8n s PRO 46 Cb -0.02 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2i8n s PRO 46 CO -0.09 -1.00 0.65 1.41 0.04 0.00 0.00 177.00 178.01 2i8n s MET 47 N -3.87 0.83 0.16 4.56 1.75 -1.26 -5.10 119.30 116.39 2i8n s MET 47 Ca 0.67 0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 55.80 2i8n s MET 47 Cb -0.20 0.40 -0.04 0.00 2.84 0.00 0.00 34.83 37.83 2i8n s MET 47 CO 0.36 -0.15 0.08 -0.51 -0.65 0.00 0.00 175.02 174.15 2i8n s ASP 48 N -0.11 0.34 0.23 1.11 1.01 -1.26 -4.86 116.67 113.13 2i8n s ASP 48 Ca -0.03 -1.28 -0.07 0.00 0.71 0.00 0.00 52.55 51.88 2i8n s ASP 48 Cb -0.03 0.31 0.29 0.00 1.01 0.00 0.00 42.92 44.50 2i8n s ASP 48 CO 0.03 -0.76 1.85 -0.03 0.21 0.00 0.00 175.17 176.47 2i8n h MET 49 N 2.74 0.91 -0.61 8.23 4.05 -1.78 -0.51 114.93 127.97 2i8n h MET 49 Ca -0.36 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 58.95 2i8n h MET 49 Cb 1.22 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2i8n h MET 49 CO 0.57 0.60 0.14 1.03 0.23 0.00 0.00 176.91 179.48 2i8n h SER 50 N 0.94 0.90 -0.39 1.39 0.87 -1.76 0.17 113.55 115.67 2i8n h SER 50 Ca 0.35 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2i8n h SER 50 Cb 0.13 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2i8n h SER 50 CO -0.16 0.88 0.04 0.74 -0.53 0.00 0.00 176.83 177.80 2i8n h THR 51 N 0.92 1.25 -0.18 2.23 2.02 -1.61 -0.06 112.91 117.48 2i8n h THR 51 Ca 0.19 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 2i8n h THR 51 Cb 0.34 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2i8n h THR 51 CO 0.00 0.31 -0.21 0.40 0.37 0.00 0.00 175.52 176.40 2i8n h ILE 52 N 0.50 1.34 -0.39 3.11 2.04 -0.91 -3.13 117.51 120.07 2i8n h ILE 52 Ca 0.12 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 2i8n h ILE 52 Cb 0.41 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2i8n h ILE 52 CO 0.01 0.42 0.09 0.50 0.00 0.00 0.00 178.15 179.17 2i8n h LYS 53 N 0.10 0.58 -0.93 2.37 3.11 -0.65 -2.57 116.57 118.58 2i8n h LYS 53 Ca 0.02 -0.10 0.06 0.00 -2.81 0.00 0.00 60.65 57.82 2i8n h LYS 53 Cb 0.76 -0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.83 2i8n h LYS 53 CO 0.05 0.54 0.59 1.03 -2.81 0.00 0.00 179.45 178.86 2i8n h SER 54 N 0.57 0.95 -0.30 4.20 0.87 -0.95 0.25 113.55 119.15 2i8n h SER 54 Ca 0.13 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2i8n h SER 54 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2i8n h SER 54 CO -0.00 0.62 0.19 0.11 -0.53 0.00 0.00 176.83 177.22 2i8n h LYS 55 N 1.09 0.41 -0.33 2.24 1.57 -1.43 -1.78 116.57 118.34 2i8n h LYS 55 Ca 0.40 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2i8n h LYS 55 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2i8n h LYS 55 CO -0.16 0.29 -0.01 1.25 -0.57 0.00 0.00 179.45 180.24 2i8n h LEU 56 N 0.40 0.48 -0.93 2.94 5.85 -1.35 0.18 115.31 122.89 2i8n h LEU 56 Ca 0.11 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2i8n h LEU 56 Cb -0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2i8n h LEU 56 CO -0.02 0.56 0.19 -0.33 -0.34 0.00 0.00 178.44 178.50 2i8n h GLU 57 N 0.49 0.97 -0.59 1.25 5.08 -0.32 -2.28 114.58 119.18 2i8n h GLU 57 Ca 0.11 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2i8n h GLU 57 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i8n h GLU 57 CO 0.01 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 2i8n n ALA 58 N -2.45 2.83 -2.17 3.43 0.00 -0.73 -4.89 120.51 116.52 2i8n n ALA 58 Ca 0.05 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2i8n n ALA 58 Cb 0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 0.43 -1.70 0.09 0.00 1.74 -0.86 -4.86 116.66 111.50 2i8n n ARG 59 Ca 0.13 0.98 -0.08 0.00 -0.77 0.00 0.00 57.85 58.11 2i8n n ARG 59 Cb 0.52 -5.55 0.01 0.00 -1.02 0.00 0.00 32.46 26.42 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 0.19 -6.21 5.56 5.08 -1.19 -3.42 114.58 114.58 2i8n h GLU 60 Ca -0.43 -0.19 -0.54 0.00 -1.00 0.00 0.00 59.36 57.19 2i8n h GLU 60 Cb 1.31 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 2i8n h GLU 60 CO 0.54 0.92 1.24 0.71 -1.00 0.00 0.00 179.01 181.42 2i8n s TYR 61 N -3.27 1.92 0.39 4.33 2.02 -1.24 -4.85 117.35 116.65 2i8n s TYR 61 Ca -0.03 0.65 0.12 0.00 -0.37 0.00 0.00 57.07 57.44 2i8n s TYR 61 Cb 0.10 -4.20 0.79 0.00 -0.40 0.00 0.00 41.96 38.26 2i8n s TYR 61 CO 0.82 -2.38 1.88 0.00 -1.57 0.00 0.00 175.55 174.31 2i8n h ARG 62 N 13.02 0.09 -3.26 -0.62 3.08 -1.97 -3.46 114.38 121.25 2i8n h ARG 62 Ca -0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2i8n h ARG 62 Cb 1.14 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 2i8n h ARG 62 CO 1.15 0.34 0.11 0.34 -1.07 0.00 0.00 179.97 180.84 2i8n s ASP 63 N -6.93 -0.08 0.37 7.04 2.15 -1.26 -5.03 116.67 112.93 2i8n s ASP 63 Ca -0.04 -0.87 0.28 0.00 0.43 0.00 0.00 52.55 52.35 2i8n s ASP 63 Cb 0.15 0.71 1.13 0.00 -0.30 0.00 0.00 42.92 44.61 2i8n s ASP 63 CO 0.72 -1.36 1.82 0.00 -0.17 0.00 0.00 175.17 176.19 2i8n h ALA 64 N 2.08 1.00 -0.54 3.66 0.00 -1.93 -3.03 119.26 120.50 2i8n h ALA 64 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2i8n h ALA 64 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2i8n h ALA 64 CO 0.31 0.00 0.23 1.96 0.00 0.00 0.00 179.25 181.75 2i8n h GLN 65 N 0.00 0.79 -0.37 0.00 4.20 -1.99 -0.82 115.11 116.92 2i8n h GLN 65 Ca 0.00 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 2i8n h GLN 65 Cb 0.42 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2i8n h GLN 65 CO 0.00 0.67 -0.35 0.93 -0.67 0.00 0.00 178.83 179.41 2i8n h GLU 66 N 0.72 0.89 0.31 1.46 5.08 -1.96 -2.67 114.58 118.41 2i8n h GLU 66 Ca 0.18 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2i8n h GLU 66 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2i8n h GLU 66 CO -0.02 1.11 -0.18 0.35 -1.00 0.00 0.00 179.01 179.28 2i8n h PHE 67 N 0.70 -0.46 -0.26 4.33 3.57 -1.53 -2.48 116.94 120.81 2i8n h PHE 67 Ca 0.06 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2i8n h PHE 67 Cb 0.94 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2i8n h PHE 67 CO 0.06 -0.28 0.18 0.78 -2.23 0.00 0.00 178.31 176.82 2i8n h GLY 68 N -0.46 0.22 0.93 2.40 0.00 -1.19 -2.36 103.07 102.62 2i8n h GLY 68 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2i8n h GLY 68 CO 0.04 0.07 0.11 0.00 0.00 0.00 0.00 176.54 176.76 2i8n h ALA 69 N 1.86 0.52 -0.11 3.60 0.00 -1.09 -2.80 119.26 121.23 2i8n h ALA 69 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2i8n h ALA 69 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2i8n h ALA 69 CO -0.02 0.17 -0.25 -0.44 0.00 0.00 0.00 179.25 178.71 2i8n h ASP 70 N 0.49 0.19 -0.16 0.00 5.19 -1.09 -2.49 116.42 118.54 2i8n h ASP 70 Ca 0.13 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2i8n h ASP 70 Cb 0.28 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2i8n h ASP 70 CO -0.00 0.45 0.10 0.58 -3.12 0.00 0.00 179.24 177.24 2i8n h VAL 71 N 0.18 1.07 -0.61 -1.35 2.07 -1.23 0.28 116.25 116.65 2i8n h VAL 71 Ca 0.03 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2i8n h VAL 71 Cb 0.54 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2i8n h VAL 71 CO 0.04 0.06 0.13 0.03 0.02 0.00 0.00 177.57 177.85 2i8n h ARG 72 N 0.19 0.96 -0.22 1.57 3.08 -1.36 -1.64 114.38 116.97 2i8n h ARG 72 Ca 0.06 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2i8n h ARG 72 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2i8n h ARG 72 CO -0.01 0.87 -0.01 1.25 -1.07 0.00 0.00 179.97 181.00 2i8n h LEU 73 N 0.91 0.39 -0.39 3.04 5.85 -1.08 -1.14 115.31 122.89 2i8n h LEU 73 Ca 0.19 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2i8n h LEU 73 Cb 0.35 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2i8n h LEU 73 CO 0.00 0.62 0.24 -0.03 -0.34 0.00 0.00 178.44 178.92 2i8n h MET 74 N 0.15 0.47 -0.37 1.25 4.05 -0.29 -2.14 114.93 118.05 2i8n h MET 74 Ca 0.06 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 2i8n h MET 74 Cb 0.42 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2i8n h MET 74 CO 0.01 0.31 -0.04 0.74 0.23 0.00 0.00 176.91 178.16 2i8n h PHE 75 N 0.48 0.63 -0.27 1.39 0.04 -1.26 -0.42 116.94 117.53 2i8n h PHE 75 Ca 0.15 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2i8n h PHE 75 Cb -0.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 2i8n h PHE 75 CO -0.07 0.63 0.17 1.03 -0.60 0.00 0.00 178.31 179.48 2i8n h SER 76 N 0.56 0.31 0.73 2.17 0.87 -0.59 -1.53 113.55 116.08 2i8n h SER 76 Ca 0.11 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 2i8n h SER 76 Cb 0.42 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2i8n h SER 76 CO 0.02 0.23 -0.78 -0.55 -0.53 0.00 0.00 176.83 175.22 2i8n h ASN 77 N 0.36 0.05 -0.83 6.23 7.08 -1.26 -3.21 115.58 124.00 2i8n h ASN 77 Ca 0.10 -0.04 -0.00 0.00 -3.08 0.00 0.00 56.30 53.28 2i8n h ASN 77 Cb -0.03 -0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 36.15 2i8n h ASN 77 CO -0.02 0.81 0.51 0.00 -2.08 0.00 0.00 177.43 176.64 2i8n h TYR 79 N 1.13 0.48 -0.17 0.00 3.20 -1.29 0.38 116.97 120.70 2i8n h TYR 79 Ca 0.30 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2i8n h TYR 79 Cb -0.06 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2i8n h TYR 79 CO -0.01 0.41 -0.01 -0.22 -1.64 0.00 0.00 178.16 176.70 2i8n h LYS 80 N 0.48 0.31 -0.35 1.82 3.64 -1.42 -3.18 116.57 117.87 2i8n h LYS 80 Ca 0.11 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2i8n h LYS 80 Cb 0.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2i8n h LYS 80 CO -0.01 0.54 -0.40 -0.92 -2.27 0.00 0.00 179.45 176.40 2i8n h TYR 81 N 0.04 1.01 -3.03 1.91 3.20 -1.18 -3.43 116.97 115.49 2i8n h TYR 81 Ca 0.05 -0.30 -0.54 0.00 3.14 0.00 0.00 58.73 61.08 2i8n h TYR 81 Cb 0.41 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2i8n h TYR 81 CO 0.04 1.10 0.72 -0.80 -1.64 0.00 0.00 178.16 177.57 2i8n s ASN 82 N -6.85 6.94 0.86 -2.11 -0.87 0.10 -5.01 114.94 108.00 2i8n s ASN 82 Ca -0.10 2.07 -0.11 0.00 -1.57 0.00 0.00 52.86 53.15 2i8n s ASN 82 Cb 0.11 -2.57 0.11 0.00 -0.02 0.00 0.00 41.25 38.88 2i8n s ASN 82 CO 0.87 -0.62 1.11 -2.16 -2.57 0.00 0.00 177.10 173.73 2i8n s PRO 83 N 1.79 1.54 0.05 -0.60 0.04 -1.26 -4.84 135.00 131.71 2i8n s PRO 83 Ca 0.61 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 2i8n s PRO 83 Cb -0.31 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2i8n s PRO 83 CO 0.27 -2.18 1.36 -1.25 0.04 0.00 0.00 177.00 175.25 2i8n s PRO 84 N -4.79 4.32 -0.80 0.56 0.04 -1.26 -3.87 135.00 129.19 2i8n s PRO 84 Ca 0.64 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.63 2i8n s PRO 84 Cb -0.20 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 2i8n s PRO 84 CO 0.57 -0.47 0.74 -3.47 0.04 0.00 0.00 177.00 174.41 2i8n n ASP 85 N 4.65 -7.53 -4.27 6.66 2.03 -1.26 -5.05 116.55 111.78 2i8n n ASP 85 Ca 0.12 -0.20 -0.15 0.00 0.52 0.00 0.00 54.79 55.08 2i8n n ASP 85 Cb 0.44 -5.27 -0.10 0.00 -0.72 0.00 0.00 41.12 35.46 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 -3.08 1.32 0.15 -0.67 2.46 -1.25 -5.05 115.29 109.17 2i8n s HIS 86 Ca 0.10 -1.01 -0.14 0.00 0.47 0.00 0.00 55.06 54.48 2i8n s HIS 86 Cb -0.01 -0.76 0.04 0.00 -0.13 0.00 0.00 32.58 31.72 2i8n s HIS 86 CO 0.74 -0.18 1.73 0.93 -2.47 0.00 0.00 174.74 175.49 2i8n h GLU 87 N 2.62 0.72 -0.12 2.88 5.08 -1.97 -2.56 114.58 121.23 2i8n h GLU 87 Ca -0.37 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2i8n h GLU 87 Cb 1.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2i8n h GLU 87 CO 0.63 0.61 -0.05 -0.39 -1.00 0.00 0.00 179.01 178.81 2i8n h VAL 88 N 0.65 1.11 -0.54 3.13 -1.51 -1.97 -2.50 116.25 114.63 2i8n h VAL 88 Ca 0.17 -0.46 -0.06 0.00 -1.23 0.00 0.00 66.70 65.12 2i8n h VAL 88 Cb 0.14 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2i8n h VAL 88 CO -0.02 0.15 0.11 0.58 -1.23 0.00 0.00 177.57 177.16 2i8n h VAL 89 N 0.17 1.25 -0.50 7.19 2.07 -1.76 -2.70 116.25 121.96 2i8n h VAL 89 Ca 0.04 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2i8n h VAL 89 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2i8n h VAL 89 CO 0.01 0.33 0.29 0.00 0.02 0.00 0.00 177.57 178.22 2i8n h ALA 90 N 1.00 1.57 -0.34 1.67 0.00 -1.26 -2.16 119.26 119.73 2i8n h ALA 90 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2i8n h ALA 90 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2i8n h ALA 90 CO 0.01 0.37 0.16 0.52 0.00 0.00 0.00 179.25 180.30 2i8n h MET 91 N 0.69 0.50 -0.31 0.00 2.86 -1.35 0.41 114.93 117.72 2i8n h MET 91 Ca 0.18 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2i8n h MET 91 Cb -0.01 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2i8n h MET 91 CO -0.03 0.46 0.15 0.00 1.06 0.00 0.00 176.91 178.55 2i8n h ALA 92 N 1.01 0.41 -0.43 6.32 0.00 -1.27 0.77 119.26 126.06 2i8n h ALA 92 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2i8n h ALA 92 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2i8n h ALA 92 CO -0.01 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.42 2i8n h ARG 93 N 0.37 0.62 -0.56 0.00 3.08 -1.28 -0.30 114.38 116.32 2i8n h ARG 93 Ca 0.11 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2i8n h ARG 93 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2i8n h ARG 93 CO -0.01 0.53 0.11 -0.22 -1.07 0.00 0.00 179.97 179.31 2i8n h LYS 94 N 0.56 0.87 -0.41 0.04 3.64 -0.75 -1.21 116.57 119.31 2i8n h LYS 94 Ca 0.15 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 2i8n h LYS 94 Cb 0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2i8n h LYS 94 CO -0.02 0.79 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.62 2i8n h LEU 95 N 0.83 0.88 -0.32 5.20 3.38 -0.48 -2.37 115.31 122.42 2i8n h LEU 95 Ca 0.18 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2i8n h LEU 95 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2i8n h LEU 95 CO 0.00 1.09 -0.25 -0.61 0.09 0.00 0.00 178.44 178.76 2i8n h GLN 96 N 0.73 0.73 -0.29 1.13 4.15 -0.76 -1.37 115.11 119.43 2i8n h GLN 96 Ca 0.09 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 2i8n h GLN 96 Cb 0.80 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2i8n h GLN 96 CO 0.07 0.97 0.16 0.22 -1.93 0.00 0.00 178.83 178.32 2i8n h ASP 97 N 0.49 0.36 -0.40 -0.69 1.82 -1.19 0.18 116.42 117.00 2i8n h ASP 97 Ca 0.06 -0.09 -0.08 0.00 -0.39 0.00 0.00 57.03 56.53 2i8n h ASP 97 Cb 0.81 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2i8n h ASP 97 CO 0.06 0.34 -0.06 1.62 -1.61 0.00 0.00 179.24 179.60 2i8n h VAL 98 N 0.35 1.27 0.11 2.25 3.04 -1.44 -0.73 116.25 121.10 2i8n h VAL 98 Ca 0.10 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.67 2i8n h VAL 98 Cb 0.06 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2i8n h VAL 98 CO -0.02 0.38 -0.05 0.15 -1.01 0.00 0.00 177.57 177.02 2i8n h PHE 99 N 0.56 -0.14 -0.65 3.17 3.57 -1.11 -1.23 116.94 121.10 2i8n h PHE 99 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2i8n h PHE 99 Cb 0.56 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2i8n h PHE 99 CO 0.05 0.12 0.43 1.49 -2.23 0.00 0.00 178.31 178.16 2i8n h GLU 100 N -0.39 0.84 -0.29 1.11 4.22 -0.67 0.22 114.58 119.62 2i8n h GLU 100 Ca -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2i8n h GLU 100 Cb 0.32 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 100 CO 0.03 0.55 0.19 0.52 -2.18 0.00 0.00 179.01 178.12 2i8n h MET 101 N 0.86 0.38 -0.30 1.92 2.86 -1.08 0.23 114.93 119.81 2i8n h MET 101 Ca 0.24 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 2i8n h MET 101 Cb -0.07 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2i8n h MET 101 CO -0.06 0.26 -0.11 0.00 1.06 0.00 0.00 176.91 178.06 2i8n h ARG 102 N 0.38 0.60 -0.45 1.72 -0.00 -0.91 -1.38 114.38 114.33 2i8n h ARG 102 Ca 0.10 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.98 59.32 2i8n h ARG 102 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 2i8n h ARG 102 CO -0.02 0.81 0.19 0.35 0.00 0.00 0.00 179.97 181.30 2i8n h PHE 103 N 0.36 0.68 -0.14 3.04 3.57 -0.42 -1.21 116.94 122.82 2i8n h PHE 103 Ca 0.07 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2i8n h PHE 103 Cb 0.61 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2i8n h PHE 103 CO 0.06 0.57 -0.27 0.00 -2.23 0.00 0.00 178.31 176.44 2i8n h ALA 104 N 1.04 1.28 -0.19 2.41 0.00 -0.52 -1.40 119.26 121.87 2i8n h ALA 104 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2i8n h ALA 104 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2i8n h ALA 104 CO -0.01 0.49 -0.29 -0.22 0.00 0.00 0.00 179.25 179.21 2i8n h LYS 105 N 0.24 0.53 -0.18 0.00 3.64 -0.90 0.66 116.57 120.55 2i8n h LYS 105 Ca 0.04 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 2i8n h LYS 105 Cb 0.61 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2i8n h LYS 105 CO 0.04 0.92 -0.41 0.00 -2.27 0.00 0.00 179.45 177.73 2i8n h MET 106 N 0.18 0.41 0.16 1.90 -0.00 -1.12 -3.24 114.93 113.22 2i8n h MET 106 Ca 0.02 -0.20 -0.29 0.00 -0.00 0.00 0.00 59.70 59.22 2i8n h MET 106 Cb 0.87 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.49 2i8n h MET 106 CO 0.07 0.75 -1.42 -0.07 -0.00 0.00 0.00 176.91 176.24 2i8n h LEU 107 N 0.34 0.53 -1.54 -0.10 3.38 -1.26 -3.51 115.31 113.14 2i8n h LEU 107 Ca 0.03 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2i8n h LEU 107 Cb 0.87 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2i8n h LEU 107 CO 0.07 1.65 0.00 0.00 0.09 0.00 0.00 178.44 180.25