#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s GLU 6 N 0.00 2.19 0.59 -0.41 -1.05 -1.26 -5.11 118.70 113.65 2occ s GLU 6 Ca 0.00 -2.31 -0.19 0.00 -0.15 0.00 0.00 54.97 52.31 2occ s GLU 6 Cb 0.00 -1.63 -0.03 0.00 -0.44 0.00 0.00 34.13 32.02 2occ s GLU 6 CO 0.00 -0.37 1.27 -0.08 0.95 0.00 0.00 175.26 177.03 2occ s THR 7 N -2.84 2.32 0.26 1.83 -1.32 -1.26 -4.79 115.64 109.83 2occ s THR 7 Ca 0.13 0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.80 2occ s THR 7 Cb 0.02 -3.09 0.24 0.00 -1.51 0.00 0.00 72.50 68.15 2occ s THR 7 CO 0.07 -0.03 1.72 0.44 -2.21 0.00 0.00 174.62 174.61 2occ h ASP 8 N 0.96 0.30 -0.64 8.08 3.32 -1.99 -0.92 116.42 125.53 2occ h ASP 8 Ca -0.51 0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.68 2occ h ASP 8 Cb 1.31 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.92 2occ h ASP 8 CO 0.55 0.08 0.41 -0.08 -1.72 0.00 0.00 179.24 178.48 2occ h GLU 9 N 0.44 0.79 -0.09 3.56 4.57 -2.00 -1.53 114.58 120.32 2occ h GLU 9 Ca 0.46 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.52 2occ h GLU 9 Cb 0.74 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2occ h GLU 9 CO -0.44 0.52 -0.24 0.93 -1.18 0.00 0.00 179.01 178.60 2occ h GLU 10 N 0.81 0.16 -0.04 1.92 5.08 -1.55 -1.19 114.58 119.76 2occ h GLU 10 Ca 0.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2occ h GLU 10 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2occ h GLU 10 CO -0.08 0.39 -0.01 0.35 -1.00 0.00 0.00 179.01 178.66 2occ h PHE 11 N 0.14 0.10 -0.17 4.33 3.57 -0.65 -0.56 116.94 123.70 2occ h PHE 11 Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2occ h PHE 11 Cb 0.51 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2occ h PHE 11 CO 0.01 0.44 0.11 -0.44 -2.23 0.00 0.00 178.31 176.19 2occ h ASP 12 N -0.27 0.19 -0.11 0.41 3.32 -1.10 -2.39 116.42 116.47 2occ h ASP 12 Ca 0.01 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2occ h ASP 12 Cb 0.41 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2occ h ASP 12 CO 0.00 0.15 -0.07 0.00 -1.72 0.00 0.00 179.24 177.60 2occ h ALA 13 N 1.05 0.03 -0.59 3.45 0.00 -1.22 0.02 119.26 122.00 2occ h ALA 13 Ca 0.06 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2occ h ALA 13 Cb -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2occ h ALA 13 CO -0.01 -0.53 0.41 -0.09 0.00 0.00 0.00 179.25 179.03 2occ h ARG 14 N -0.07 0.13 0.18 0.00 2.43 -0.86 -0.72 114.38 115.48 2occ h ARG 14 Ca 0.07 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.90 2occ h ARG 14 Cb 0.17 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2occ h ARG 14 CO -0.16 0.09 -1.63 -1.49 -1.51 0.00 0.00 179.97 175.27 2occ h TRP 15 N 0.14 0.69 -0.55 2.20 4.06 -0.79 -2.56 115.95 119.14 2occ h TRP 15 Ca 0.28 -0.51 0.04 0.00 2.06 0.00 0.00 58.89 60.77 2occ h TRP 15 Cb 0.92 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.01 2occ h TRP 15 CO -0.00 1.57 0.30 0.28 -3.56 0.00 0.00 178.44 177.03 2occ h VAL 16 N 0.10 0.99 -0.64 1.49 2.07 -0.14 -1.82 116.25 118.30 2occ h VAL 16 Ca -0.30 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2occ h VAL 16 Cb 2.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2occ h VAL 16 CO 0.19 0.11 0.30 0.74 0.02 0.00 0.00 177.57 178.93 2occ h THR 17 N 0.59 1.22 -0.20 2.57 2.02 -1.24 -0.40 112.91 117.47 2occ h THR 17 Ca 0.24 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.82 2occ h THR 17 Cb 0.11 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2occ h THR 17 CO -0.14 0.26 -0.01 0.22 0.37 0.00 0.00 175.52 176.21 2occ h TYR 18 N 0.88 -0.03 0.00 3.16 5.03 -0.97 -2.26 116.97 122.78 2occ h TYR 18 Ca 0.22 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 2occ h TYR 18 Cb 0.13 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 2occ h TYR 18 CO 0.00 -0.04 -0.12 0.74 -1.32 0.00 0.00 178.16 177.42 2occ h PHE 19 N 0.05 0.00 -0.00 -3.82 0.04 -1.24 -3.15 116.94 108.81 2occ h PHE 19 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2occ h PHE 19 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2occ h PHE 19 CO -0.19 0.12 -0.04 0.09 -0.60 0.00 0.00 178.31 177.69 2occ n ASN 20 N -3.15 0.18 -4.62 2.17 3.02 -0.17 -4.53 115.26 108.15 2occ n ASN 20 Ca 0.03 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.77 2occ n ASN 20 Cb 0.52 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 2occ n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2occ s LYS 21 N -2.48 3.50 0.41 3.52 2.20 -0.94 -4.85 119.74 121.09 2occ s LYS 21 Ca 0.30 2.21 0.17 0.00 -0.36 0.00 0.00 55.97 58.29 2occ s LYS 21 Cb 0.20 -4.29 1.06 0.00 -1.51 0.00 0.00 37.83 33.30 2occ s LYS 21 CO 0.46 -1.69 1.84 -1.00 -0.36 0.00 0.00 175.35 174.60 2occ h PRO 22 N 13.38 0.42 -0.79 4.03 0.13 -1.92 -2.20 132.00 145.05 2occ h PRO 22 Ca -0.44 -0.03 -0.42 0.00 -0.87 0.00 0.00 66.00 64.25 2occ h PRO 22 Cb 1.23 -0.09 -0.25 0.00 0.13 0.00 0.00 31.00 32.02 2occ h PRO 22 CO 0.96 0.28 0.41 -0.40 -0.23 0.00 0.00 178.00 179.02 2occ n ASP 23 N -4.54 3.49 -4.70 1.44 5.75 -1.26 -4.99 116.55 111.74 2occ n ASP 23 Ca 0.20 -3.68 -0.42 0.00 -0.01 0.00 0.00 54.79 50.88 2occ n ASP 23 Cb 0.71 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 2occ n ASP 23 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2occ s ILE 24 N -3.36 3.00 0.70 2.12 2.07 -0.83 -5.01 121.20 119.90 2occ s ILE 24 Ca 0.53 0.61 -0.02 0.00 -1.41 0.00 0.00 60.65 60.36 2occ s ILE 24 Cb 0.46 -3.39 0.10 0.00 0.13 0.00 0.00 42.46 39.76 2occ s ILE 24 CO 0.07 0.02 0.97 1.51 -1.91 0.00 0.00 174.94 175.61 2occ s ASP 25 N 1.69 4.53 0.26 4.50 1.47 -1.26 -4.92 116.67 122.93 2occ s ASP 25 Ca 0.70 -0.11 -0.05 0.00 1.18 0.00 0.00 52.55 54.27 2occ s ASP 25 Cb -0.40 -0.40 0.32 0.00 -0.34 0.00 0.00 42.92 42.10 2occ s ASP 25 CO 0.31 -1.73 1.93 0.00 0.68 0.00 0.00 175.17 176.36 2occ h ALA 26 N -0.49 1.33 -0.35 2.11 0.00 -1.98 -1.77 119.26 118.10 2occ h ALA 26 Ca -0.39 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2occ h ALA 26 Cb 1.28 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2occ h ALA 26 CO 0.46 0.61 0.07 2.35 0.00 0.00 0.00 179.25 182.74 2occ h TRP 27 N 1.29 0.12 0.00 0.00 7.01 -1.99 0.72 115.95 123.11 2occ h TRP 27 Ca 0.37 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.33 2occ h TRP 27 Cb -0.09 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2occ h TRP 27 CO -0.00 0.02 -0.29 0.93 -2.79 0.00 0.00 178.44 176.31 2occ h GLU 28 N 0.20 0.00 -0.11 2.65 5.08 -1.85 0.66 114.58 121.20 2occ h GLU 28 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2occ h GLU 28 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2occ h GLU 28 CO -0.22 0.29 -0.20 1.25 -1.00 0.00 0.00 179.01 179.13 2occ h LEU 29 N 0.00 0.37 0.17 1.33 7.12 -0.36 -1.33 115.31 122.61 2occ h LEU 29 Ca -0.00 -0.55 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 2occ h LEU 29 Cb 0.70 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 2occ h LEU 29 CO 0.04 0.85 -0.08 0.03 -0.13 0.00 0.00 178.44 179.15 2occ h ARG 30 N -0.10 -0.22 -0.95 1.25 3.08 -0.75 -2.25 114.38 114.45 2occ h ARG 30 Ca 0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.18 2occ h ARG 30 Cb 0.79 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.81 2occ h ARG 30 CO 0.05 0.11 0.61 -0.22 -1.07 0.00 0.00 179.97 179.44 2occ h LYS 31 N -0.56 0.90 -0.20 0.04 1.63 -0.93 0.15 116.57 117.59 2occ h LYS 31 Ca -0.02 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 2occ h LYS 31 Cb 0.43 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2occ h LYS 31 CO 0.04 0.59 -0.05 0.78 -3.45 0.00 0.00 179.45 177.36 2occ h GLY 32 N 0.92 0.41 0.83 5.01 0.00 -1.13 -2.05 103.07 107.07 2occ h GLY 32 Ca 0.46 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 2occ h GLY 32 CO -0.22 0.31 -0.10 -0.33 0.00 0.00 0.00 176.54 176.20 2occ h MET 33 N 0.10 0.47 0.00 4.80 2.86 -0.73 -1.87 114.93 120.56 2occ h MET 33 Ca 0.05 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2occ h MET 33 Cb 0.49 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2occ h MET 33 CO 0.02 0.73 -0.04 -0.91 1.06 0.00 0.00 176.91 177.77 2occ h ASN 34 N 0.19 0.00 0.24 1.22 2.35 -0.76 -1.91 115.58 116.90 2occ h ASN 34 Ca 0.05 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.46 2occ h ASN 34 Cb 0.58 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.96 2occ h ASN 34 CO 0.03 0.04 -1.71 0.74 -1.65 0.00 0.00 177.43 174.88 2occ h THR 35 N 0.00 0.97 0.00 2.81 2.02 -1.25 -3.36 112.91 114.11 2occ h THR 35 Ca -0.00 -2.56 -0.05 0.00 0.77 0.00 0.00 66.41 64.57 2occ h THR 35 Cb 0.13 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2occ h THR 35 CO 0.01 0.85 -0.22 0.25 0.37 0.00 0.00 175.52 176.77 2occ h LEU 36 N 0.10 0.00 -0.21 2.58 5.85 -0.73 -2.62 115.31 120.29 2occ h LEU 36 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2occ h LEU 36 Cb 2.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.12 2occ h LEU 36 CO 0.18 0.22 0.00 0.52 -0.34 0.00 0.00 178.44 179.02 2occ n VAL 37 N -3.82 0.72 1.28 1.05 0.31 -0.77 -2.96 118.33 114.14 2occ n VAL 37 Ca -0.02 0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 2occ n VAL 37 Cb 0.32 -0.91 0.38 0.00 -0.91 0.00 0.00 33.84 32.72 2occ n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2occ n GLY 38 N 0.43 -0.36 3.92 2.92 0.00 -0.99 -4.93 105.19 106.19 2occ n GLY 38 Ca 0.04 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 2occ n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2occ s TYR 39 N -2.36 3.29 -1.24 1.61 2.02 -1.15 -4.98 117.35 114.54 2occ s TYR 39 Ca 0.27 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.45 2occ s TYR 39 Cb 0.20 -2.60 0.17 0.00 -0.40 0.00 0.00 41.96 39.33 2occ s TYR 39 CO 0.47 -0.67 1.65 -3.47 -1.57 0.00 0.00 175.55 171.96 2occ n ASP 40 N -2.45 5.18 -3.65 2.29 2.03 -1.26 -4.85 116.55 113.84 2occ n ASP 40 Ca 0.03 -3.05 -0.02 0.00 0.52 0.00 0.00 54.79 52.28 2occ n ASP 40 Cb 0.57 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.42 2occ n ASP 40 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2occ s LEU 41 N 0.65 -0.01 -0.28 -2.67 -0.00 -1.26 -5.10 118.68 110.00 2occ s LEU 41 Ca 0.41 0.00 -0.13 0.00 -0.00 0.00 0.00 54.13 54.42 2occ s LEU 41 Cb 0.03 1.02 -0.04 0.00 -0.00 0.00 0.00 46.19 47.20 2occ s LEU 41 CO 0.00 -0.01 0.26 -0.69 -0.00 0.00 0.00 176.35 175.91 2occ s VAL 42 N -1.61 5.26 0.28 1.48 1.01 -1.26 -4.97 120.40 120.58 2occ s VAL 42 Ca 0.11 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2occ s VAL 42 Cb -0.01 -3.60 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 2occ s VAL 42 CO -0.05 0.20 1.11 -2.65 0.00 0.00 0.00 175.10 173.71 2occ n PRO 43 N 5.17 1.50 -1.65 2.72 -0.02 -1.26 -4.93 135.00 136.53 2occ n PRO 43 Ca -0.12 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 2occ n PRO 43 Cb 0.51 -1.97 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 2occ n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2occ n GLU 44 N 0.97 1.26 -0.35 -0.52 -0.58 -1.26 -4.78 120.64 115.38 2occ n GLU 44 Ca 0.10 0.47 0.12 0.00 -0.42 0.00 0.00 57.16 57.43 2occ n GLU 44 Cb 0.31 -2.25 0.32 0.00 -0.57 0.00 0.00 31.44 29.25 2occ n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2occ h PRO 45 N 1.06 0.77 0.00 3.49 0.11 -1.93 0.11 132.00 135.61 2occ h PRO 45 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2occ h PRO 45 Cb 1.34 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2occ h PRO 45 CO 0.54 0.51 -0.04 1.57 -0.21 0.00 0.00 178.00 180.37 2occ h LYS 46 N 0.79 0.00 0.24 1.05 2.10 -1.95 0.48 116.57 119.29 2occ h LYS 46 Ca 0.55 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.87 2occ h LYS 46 Cb 0.83 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.19 2occ h LYS 46 CO -0.34 0.04 -1.48 0.82 -2.00 0.00 0.00 179.45 176.49 2occ h ILE 47 N 0.00 1.28 -0.71 0.07 2.04 -1.12 -3.11 117.51 115.97 2occ h ILE 47 Ca -0.00 -2.72 -0.05 0.00 1.00 0.00 0.00 64.86 63.09 2occ h ILE 47 Cb 0.14 3.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 2occ h ILE 47 CO 0.01 0.82 0.26 0.40 0.00 0.00 0.00 178.15 179.63 2occ h ILE 48 N 0.14 1.25 0.11 -0.67 1.08 -0.83 -2.25 117.51 116.35 2occ h ILE 48 Ca -0.25 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.41 2occ h ILE 48 Cb 2.16 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 2occ h ILE 48 CO 0.27 0.33 -0.37 -0.78 -0.69 0.00 0.00 178.15 176.91 2occ h ASP 49 N 1.02 -1.08 -0.67 1.72 3.58 -1.05 0.21 116.42 120.16 2occ h ASP 49 Ca 0.23 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.86 2occ h ASP 49 Cb 0.25 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 2occ h ASP 49 CO -0.01 -0.45 0.37 0.00 -2.88 0.00 0.00 179.24 176.27 2occ h ALA 50 N -0.02 0.89 -0.71 -0.78 0.00 -1.45 0.12 119.26 117.31 2occ h ALA 50 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2occ h ALA 50 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2occ h ALA 50 CO -0.22 0.05 0.28 0.00 0.00 0.00 0.00 179.25 179.36 2occ h ALA 51 N 1.35 1.16 -0.75 0.00 0.00 -0.92 0.07 119.26 120.17 2occ h ALA 51 Ca 0.30 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2occ h ALA 51 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2occ h ALA 51 CO -0.18 0.61 0.25 -0.07 0.00 0.00 0.00 179.25 179.85 2occ h LEU 52 N 1.03 1.08 -0.49 0.00 3.38 0.76 -1.91 115.31 119.16 2occ h LEU 52 Ca 0.24 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2occ h LEU 52 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2occ h LEU 52 CO -0.02 1.00 -0.22 0.03 0.09 0.00 0.00 178.44 179.32 2occ h ARG 53 N 1.11 1.01 -0.14 1.13 3.08 -0.03 -2.18 114.38 118.36 2occ h ARG 53 Ca 0.24 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.87 2occ h ARG 53 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2occ h ARG 53 CO -0.01 1.11 0.09 0.00 -1.07 0.00 0.00 179.97 180.09 2occ h ALA 54 N 0.87 1.93 -0.51 0.04 0.00 -0.71 0.18 119.26 121.06 2occ h ALA 54 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2occ h ALA 54 Cb 0.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2occ h ALA 54 CO 0.07 0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.43 2occ h ARG 56 N 0.75 -0.03 -0.58 0.00 9.65 -0.67 0.72 114.38 124.22 2occ h ARG 56 Ca 0.15 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.13 2occ h ARG 56 Cb 0.45 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 2occ h ARG 56 CO 0.02 -0.02 0.39 0.00 2.80 0.00 0.00 179.97 183.16 2occ h ARG 57 N -0.03 0.38 -0.26 0.20 3.08 -1.11 0.83 114.38 117.46 2occ h ARG 57 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2occ h ARG 57 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2occ h ARG 57 CO -0.02 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.41 2occ n LEU 58 N -4.47 2.23 -3.79 3.04 4.77 -0.75 -4.96 117.00 113.08 2occ n LEU 58 Ca 0.09 -0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 54.88 2occ n LEU 58 Cb 0.37 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2occ n LEU 58 CO 0.34 0.48 -0.13 0.59 -1.33 0.00 0.00 177.39 177.35 2occ n ASN 59 N 0.70 -1.05 -3.92 -1.43 3.02 0.28 -4.95 115.26 107.91 2occ n ASN 59 Ca 0.17 -0.89 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 2occ n ASN 59 Cb 0.41 -3.68 -0.14 0.00 -0.61 0.00 0.00 39.78 35.76 2occ n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2occ s ASP 60 N -4.33 4.29 0.00 6.41 -1.08 0.09 -4.96 116.67 117.09 2occ s ASP 60 Ca 0.02 -2.80 -0.25 0.00 -0.52 0.00 0.00 52.55 49.00 2occ s ASP 60 Cb -0.01 -1.54 -0.19 0.00 -1.46 0.00 0.00 42.92 39.72 2occ s ASP 60 CO 0.84 -0.26 1.37 0.15 0.52 0.00 0.00 175.17 177.79 2occ h PHE 61 N 6.73 -0.02 -0.56 -5.34 3.57 -1.93 -3.25 116.94 116.14 2occ h PHE 61 Ca -0.07 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.55 2occ h PHE 61 Cb 0.92 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.57 2occ h PHE 61 CO 0.50 0.35 0.00 0.00 -2.23 0.00 0.00 178.31 176.94 2occ h ALA 62 N 0.58 0.55 -0.25 2.41 0.00 -1.98 -0.14 119.26 120.42 2occ h ALA 62 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2occ h ALA 62 Cb 0.38 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2occ h ALA 62 CO 0.00 -0.39 0.17 0.77 0.00 0.00 0.00 179.25 179.81 2occ h SER 63 N 0.12 0.21 -0.51 0.00 0.02 -1.99 -0.37 113.55 111.03 2occ h SER 63 Ca 0.29 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 2occ h SER 63 Cb 0.45 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2occ h SER 63 CO -0.47 0.15 -0.16 0.00 -1.14 0.00 0.00 176.83 175.20 2occ h ALA 64 N 1.86 0.71 -0.35 3.77 0.00 -1.06 -1.40 119.26 122.79 2occ h ALA 64 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2occ h ALA 64 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2occ h ALA 64 CO -0.02 0.66 -0.02 0.28 0.00 0.00 0.00 179.25 180.16 2occ h VAL 65 N 0.88 1.26 0.00 0.00 2.07 -0.76 -2.99 116.25 116.72 2occ h VAL 65 Ca 0.13 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 2occ h VAL 65 Cb 0.74 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2occ h VAL 65 CO 0.06 0.34 -0.17 -0.09 0.02 0.00 0.00 177.57 177.72 2occ h ARG 66 N 0.44 0.00 -0.36 1.57 2.43 -1.06 -1.44 114.38 115.96 2occ h ARG 66 Ca 0.10 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2occ h ARG 66 Cb 0.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2occ h ARG 66 CO 0.02 0.17 -0.18 0.82 -1.51 0.00 0.00 179.97 179.29 2occ h ILE 67 N 0.00 1.26 -0.16 1.20 2.04 -1.13 -0.85 117.51 119.87 2occ h ILE 67 Ca -0.00 -1.23 -0.17 0.00 1.00 0.00 0.00 64.86 64.46 2occ h ILE 67 Cb 0.32 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2occ h ILE 67 CO 0.02 0.41 -0.60 -0.07 0.00 0.00 0.00 178.15 177.91 2occ h LEU 68 N 0.59 0.61 -0.79 1.44 3.38 -1.15 -2.38 115.31 117.01 2occ h LEU 68 Ca 0.09 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2occ h LEU 68 Cb 0.65 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2occ h LEU 68 CO 0.05 1.07 0.40 -0.33 0.09 0.00 0.00 178.44 179.71 2occ h GLU 69 N 0.40 1.13 -0.52 1.13 5.08 -0.87 -2.88 114.58 118.04 2occ h GLU 69 Ca -0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2occ h GLU 69 Cb 1.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2occ h GLU 69 CO 0.11 0.86 0.03 -0.24 -1.00 0.00 0.00 179.01 178.77 2occ h VAL 70 N 1.11 1.25 -0.57 3.13 3.04 -1.03 -2.06 116.25 121.11 2occ h VAL 70 Ca 0.27 -1.00 -0.04 0.00 -1.01 0.00 0.00 66.70 64.92 2occ h VAL 70 Cb 0.09 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 2occ h VAL 70 CO -0.04 0.36 0.19 0.58 -1.01 0.00 0.00 177.57 177.65 2occ h VAL 71 N 0.81 1.22 -0.13 1.51 2.07 -1.22 -1.34 116.25 119.17 2occ h VAL 71 Ca 0.16 -0.74 -0.20 0.00 0.82 0.00 0.00 66.70 66.74 2occ h VAL 71 Cb 0.44 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2occ h VAL 71 CO 0.02 0.28 -0.74 0.50 0.02 0.00 0.00 177.57 177.66 2occ h LYS 72 N 0.83 0.62 -0.40 1.57 3.64 -1.35 -3.15 116.57 118.32 2occ h LYS 72 Ca 0.19 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 2occ h LYS 72 Cb 0.23 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2occ h LYS 72 CO -0.01 1.11 0.08 0.22 -2.27 0.00 0.00 179.45 178.58 2occ h ASP 73 N 0.43 0.63 0.55 4.20 3.58 -1.09 -2.94 116.42 121.78 2occ h ASP 73 Ca -0.04 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2occ h ASP 73 Cb 1.34 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2occ h ASP 73 CO 0.14 0.72 -0.05 0.11 -2.88 0.00 0.00 179.24 177.28 2occ h LYS 74 N 0.51 0.00 0.00 0.28 1.79 -1.30 -2.07 116.57 115.78 2occ h LYS 74 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2occ h LYS 74 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2occ h LYS 74 CO 0.01 0.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.43 2occ h ALA 75 N 1.95 1.00 -0.77 3.86 0.00 -1.47 -3.44 119.26 120.38 2occ h ALA 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2occ h ALA 75 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2occ h ALA 75 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2occ n GLY 76 N 0.16 3.68 0.18 0.00 0.00 -0.78 -1.56 105.19 106.86 2occ n GLY 76 Ca 0.01 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2occ n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2occ h PRO 77 N 0.00 0.00 -5.82 1.61 0.13 -1.92 -3.41 132.00 122.59 2occ h PRO 77 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2occ h PRO 77 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2occ h PRO 77 CO 0.00 0.00 1.92 -1.01 -0.23 0.00 0.00 178.00 178.68 2occ s HIS 78 N -3.28 2.60 -1.36 1.56 3.76 -0.60 -4.82 115.29 113.15 2occ s HIS 78 Ca 0.06 -1.16 0.07 0.00 -0.15 0.00 0.00 55.06 53.88 2occ s HIS 78 Cb 0.09 -4.62 0.35 0.00 1.11 0.00 0.00 32.58 29.51 2occ s HIS 78 CO 0.57 -1.73 1.11 0.36 -0.85 0.00 0.00 174.74 174.20 2occ n LYS 79 N 8.45 0.08 0.00 1.40 -0.00 -1.26 -2.48 118.16 124.35 2occ n LYS 79 Ca 0.46 0.25 0.12 0.00 -0.00 0.00 0.00 58.31 59.14 2occ n LYS 79 Cb 0.47 -1.50 0.32 0.00 -0.00 0.00 0.00 35.03 34.31 2occ n LYS 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2occ n GLU 80 N -1.32 0.18 -0.02 -1.58 4.71 -1.26 -4.25 120.64 117.09 2occ n GLU 80 Ca 0.03 -0.10 -0.15 0.00 -0.01 0.00 0.00 57.16 56.93 2occ n GLU 80 Cb 0.06 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.89 2occ n GLU 80 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2occ h ILE 81 N 0.23 1.49 0.57 -3.67 2.04 -1.88 -3.20 117.51 113.11 2occ h ILE 81 Ca 0.00 -1.87 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 2occ h ILE 81 Cb 0.49 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2occ h ILE 81 CO 0.00 0.52 -0.31 0.22 0.00 0.00 0.00 178.15 178.58 2occ h TYR 82 N -0.37 -0.80 -0.96 1.37 3.20 -1.78 -1.33 116.97 116.30 2occ h TYR 82 Ca -0.03 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.00 2occ h TYR 82 Cb 1.01 0.28 -0.10 0.00 1.54 0.00 0.00 36.73 39.45 2occ h TYR 82 CO 0.16 -0.48 0.56 -1.35 -1.64 0.00 0.00 178.16 175.40 2occ h PRO 83 N -0.81 0.71 -0.69 1.82 0.11 -1.78 0.36 132.00 131.72 2occ h PRO 83 Ca -0.07 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 2occ h PRO 83 Cb 0.64 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 2occ h PRO 83 CO 0.10 0.47 0.21 -0.92 -0.21 0.00 0.00 178.00 177.65 2occ h TYR 84 N 0.73 1.11 -0.20 0.65 3.20 -1.49 -0.31 116.97 120.66 2occ h TYR 84 Ca 0.54 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 62.20 2occ h TYR 84 Cb 0.81 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2occ h TYR 84 CO -0.03 0.89 -0.28 0.28 -1.64 0.00 0.00 178.16 177.38 2occ h VAL 85 N 1.03 1.33 -0.49 1.81 2.07 0.73 -2.15 116.25 120.59 2occ h VAL 85 Ca 0.22 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2occ h VAL 85 Cb 0.31 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2occ h VAL 85 CO -0.01 0.45 0.32 0.40 0.02 0.00 0.00 177.57 178.76 2occ h ILE 86 N 0.22 1.10 -0.06 4.57 1.08 -0.45 -1.68 117.51 122.28 2occ h ILE 86 Ca 0.02 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2occ h ILE 86 Cb 0.85 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2occ h ILE 86 CO 0.06 0.11 0.02 -0.61 -0.69 0.00 0.00 178.15 177.05 2occ h GLN 87 N 0.61 0.10 0.00 2.37 4.15 -0.84 -1.59 115.11 119.91 2occ h GLN 87 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2occ h GLN 87 Cb -0.01 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2occ h GLN 87 CO -0.04 0.27 0.00 0.93 -1.93 0.00 0.00 178.83 178.06 2occ h GLU 88 N -0.10 0.00 -0.00 1.69 4.39 -0.89 -2.87 114.58 116.80 2occ h GLU 88 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2occ h GLU 88 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2occ h GLU 88 CO -0.00 0.00 -0.60 1.28 -1.16 0.00 0.00 179.01 178.53 2occ n LEU 89 N -2.75 0.88 -0.23 1.33 4.77 -0.68 -4.54 117.00 115.78 2occ n LEU 89 Ca 0.02 -0.26 0.03 0.00 -0.03 0.00 0.00 56.01 55.77 2occ n LEU 89 Cb 0.30 -0.13 0.14 0.00 -2.33 0.00 0.00 43.42 41.40 2occ n LEU 89 CO 0.25 0.20 0.89 -0.09 -1.33 0.00 0.00 177.39 177.31 2occ h ARG 90 N 0.44 0.20 -0.63 3.23 9.65 -1.06 0.19 114.38 126.39 2occ h ARG 90 Ca 0.00 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 2occ h ARG 90 Cb 0.53 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 2occ h ARG 90 CO 0.00 0.13 0.24 -1.35 2.80 0.00 0.00 179.97 181.79 2occ h PRO 91 N 0.20 0.41 -0.24 0.20 0.11 -1.82 -0.41 132.00 130.45 2occ h PRO 91 Ca 0.37 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 2occ h PRO 91 Cb 0.61 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2occ h PRO 91 CO -0.51 0.27 -0.47 1.15 -0.21 0.00 0.00 178.00 178.23 2occ h THR 92 N 0.42 1.30 -0.58 -1.15 2.02 -1.39 -2.02 112.91 111.51 2occ h THR 92 Ca 0.32 -1.68 -0.08 0.00 0.77 0.00 0.00 66.41 65.74 2occ h THR 92 Cb 0.40 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2occ h THR 92 CO -0.32 0.53 0.05 -0.07 0.37 0.00 0.00 175.52 176.08 2occ h LEU 93 N 0.51 0.93 -0.25 2.58 3.38 0.19 -2.61 115.31 120.04 2occ h LEU 93 Ca 0.03 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2occ h LEU 93 Cb 1.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2occ h LEU 93 CO 0.10 0.96 -0.16 0.78 0.09 0.00 0.00 178.44 180.21 2occ h ASN 94 N 0.90 0.58 -0.44 -0.43 2.35 -1.00 0.33 115.58 117.88 2occ h ASN 94 Ca 0.18 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 2occ h ASN 94 Cb 0.46 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2occ h ASN 94 CO 0.02 0.89 0.27 -0.08 -1.65 0.00 0.00 177.43 176.87 2occ h GLU 95 N 0.28 0.53 -0.02 0.81 4.81 -1.29 -2.70 114.58 116.99 2occ h GLU 95 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2occ h GLU 95 Cb 0.69 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2occ h GLU 95 CO 0.04 0.35 -0.09 1.28 -0.73 0.00 0.00 179.01 179.86 2occ n LEU 96 N -4.82 1.71 -2.98 1.64 4.77 -0.99 -4.95 117.00 111.38 2occ n LEU 96 Ca 0.02 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.24 2occ n LEU 96 Cb 0.05 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2occ n LEU 96 CO 0.33 0.29 0.18 0.61 -1.33 0.00 0.00 177.39 177.48 2occ n GLY 97 N 1.26 -0.28 3.65 -0.72 0.00 -0.53 -4.97 105.19 103.60 2occ n GLY 97 Ca 0.16 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2occ n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2occ s ILE 98 N -3.24 4.95 0.12 -0.61 1.01 -0.01 -5.03 121.20 118.40 2occ s ILE 98 Ca 0.46 1.31 -0.16 0.00 0.00 0.00 0.00 60.65 62.26 2occ s ILE 98 Cb -0.20 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2occ s ILE 98 CO 0.56 0.04 0.55 -0.44 0.00 0.00 0.00 174.94 175.65 2occ s SER 99 N 1.30 6.89 0.63 3.58 0.01 -1.26 -4.68 113.70 120.17 2occ s SER 99 Ca 0.31 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.55 2occ s SER 99 Cb -0.16 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2occ s SER 99 CO 0.09 0.16 1.06 0.42 0.41 0.00 0.00 173.24 175.38 2occ s THR 100 N -1.35 3.84 0.54 1.44 -4.23 -1.26 -4.79 115.64 109.83 2occ s THR 100 Ca 0.35 0.79 0.21 0.00 -1.18 0.00 0.00 61.69 61.86 2occ s THR 100 Cb -0.16 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.64 2occ s THR 100 CO 0.19 -0.60 2.10 -0.65 -0.54 0.00 0.00 174.62 175.12 2occ h PRO 101 N 0.08 0.00 -0.30 3.99 0.11 -1.95 -0.76 132.00 133.16 2occ h PRO 101 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 2occ h PRO 101 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2occ h PRO 101 CO 0.57 0.00 -0.49 0.93 -0.21 0.00 0.00 178.00 178.80 2occ h GLU 102 N 0.00 0.85 -0.54 1.05 3.07 -1.94 0.37 114.58 117.44 2occ h GLU 102 Ca 0.09 -0.51 -0.08 0.00 -0.50 0.00 0.00 59.36 58.37 2occ h GLU 102 Cb 0.39 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2occ h GLU 102 CO -0.00 1.14 0.01 0.93 -1.40 0.00 0.00 179.01 179.69 2occ h GLU 103 N 0.66 0.92 0.00 2.33 5.08 -1.53 -2.25 114.58 119.80 2occ h GLU 103 Ca 0.03 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2occ h GLU 103 Cb 1.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2occ h GLU 103 CO 0.11 0.91 0.00 1.28 -1.00 0.00 0.00 179.01 180.31 2occ n LEU 104 N -4.20 0.19 -0.28 1.33 4.77 -0.69 -4.92 117.00 113.20 2occ n LEU 104 Ca 0.03 0.52 -0.03 0.00 -0.03 0.00 0.00 56.01 56.50 2occ n LEU 104 Cb 0.32 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2occ n LEU 104 CO 0.43 -0.06 -0.03 0.61 -1.33 0.00 0.00 177.39 177.01 2occ n GLY 105 N 1.38 0.38 0.24 -0.72 0.00 -0.51 -4.95 105.19 101.02 2occ n GLY 105 Ca 0.06 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.39 2occ n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2occ n LEU 106 N -0.37 0.75 -2.12 0.99 4.77 0.12 -3.60 117.00 117.53 2occ n LEU 106 Ca -0.03 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.47 2occ n LEU 106 Cb 0.36 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.59 2occ n LEU 106 CO 0.04 0.13 1.23 -0.90 -1.33 0.00 0.00 177.39 176.56 2occ n ASP 107 N -0.41 4.17 0.00 -1.43 5.75 -1.25 -4.90 116.55 118.49 2occ n ASP 107 Ca 0.21 -3.46 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 2occ n ASP 107 Cb 0.23 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 2occ n ASP 107 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2occ n LYS 108 N -0.93 2.97 0.00 0.11 2.85 -1.24 -5.11 118.16 116.81 2occ n LYS 108 Ca 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 2occ n LYS 108 Cb 1.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.81 2occ n LYS 108 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68