#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 2.20 0.60 -0.41 -1.05 -1.26 -5.11 118.70 113.67 2occ s GLU 6 Ca 0.00 -2.32 -0.19 0.00 -0.15 0.00 0.00 54.97 52.31 2occ s GLU 6 Cb 0.00 -1.64 -0.03 0.00 -0.44 0.00 0.00 34.13 32.02 2occ s GLU 6 CO 0.00 -0.40 1.26 -0.08 0.95 0.00 0.00 175.26 176.99 2occ s THR 7 N -2.85 2.35 0.26 1.83 -1.32 -1.26 -4.80 115.64 109.85 2occ s THR 7 Ca 0.12 0.23 -0.02 0.00 -1.21 0.00 0.00 61.69 60.81 2occ s THR 7 Cb 0.01 -3.10 0.24 0.00 -1.51 0.00 0.00 72.50 68.14 2occ s THR 7 CO 0.07 -0.04 1.73 0.44 -2.21 0.00 0.00 174.62 174.61 2occ h ASP 8 N 0.91 0.35 -0.61 8.08 3.32 -1.99 -0.96 116.42 125.51 2occ h ASP 8 Ca -0.51 0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2occ h ASP 8 Cb 1.31 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 2occ h ASP 8 CO 0.55 0.11 0.39 -0.08 -1.72 0.00 0.00 179.24 178.49 2occ h GLU 9 N 0.48 0.77 -0.07 3.56 4.57 -2.00 -1.70 114.58 120.19 2occ h GLU 9 Ca 0.46 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.52 2occ h GLU 9 Cb 0.72 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2occ h GLU 9 CO -0.42 0.51 -0.26 0.93 -1.18 0.00 0.00 179.01 178.59 2occ h GLU 10 N 0.79 0.12 -0.13 1.92 5.08 -1.56 -1.41 114.58 119.39 2occ h GLU 10 Ca 0.23 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2occ h GLU 10 Cb -0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2occ h GLU 10 CO -0.07 0.38 -0.07 0.35 -1.00 0.00 0.00 179.01 178.61 2occ h PHE 11 N 0.11 0.31 -0.09 4.33 3.57 -0.78 -1.05 116.94 123.35 2occ h PHE 11 Ca 0.02 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2occ h PHE 11 Cb 0.53 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2occ h PHE 11 CO 0.00 0.62 0.05 -0.44 -2.23 0.00 0.00 178.31 176.31 2occ h ASP 12 N -0.08 0.11 -0.28 0.41 3.32 -1.14 -2.43 116.42 116.33 2occ h ASP 12 Ca 0.03 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.05 2occ h ASP 12 Cb 0.54 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2occ h ASP 12 CO 0.02 0.15 0.06 0.00 -1.72 0.00 0.00 179.24 177.75 2occ h ALA 13 N 0.97 0.29 -0.57 3.45 0.00 -1.27 -0.41 119.26 121.73 2occ h ALA 13 Ca 0.03 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2occ h ALA 13 Cb 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2occ h ALA 13 CO -0.01 -0.36 0.39 -0.09 0.00 0.00 0.00 179.25 179.19 2occ h ARG 14 N 0.16 0.20 0.12 0.00 2.43 -0.98 -0.60 114.38 115.71 2occ h ARG 14 Ca 0.13 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.98 2occ h ARG 14 Cb 0.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2occ h ARG 14 CO -0.17 0.13 -1.56 -1.49 -1.51 0.00 0.00 179.97 175.37 2occ h TRP 15 N 0.21 0.46 -0.44 2.20 4.06 -0.83 -2.55 115.95 119.05 2occ h TRP 15 Ca 0.27 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.89 2occ h TRP 15 Cb 0.78 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 2occ h TRP 15 CO -0.00 1.40 0.29 0.28 -3.56 0.00 0.00 178.44 176.85 2occ h VAL 16 N 0.07 1.12 -0.47 1.49 2.07 -0.14 -1.88 116.25 118.51 2occ h VAL 16 Ca -0.26 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2occ h VAL 16 Cb 2.02 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2occ h VAL 16 CO 0.16 0.11 0.24 0.74 0.02 0.00 0.00 177.57 178.84 2occ h THR 17 N 0.59 1.18 -0.21 2.57 2.02 -1.23 -0.16 112.91 117.68 2occ h THR 17 Ca 0.16 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.90 2occ h THR 17 Cb -0.06 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2occ h THR 17 CO -0.03 0.19 -0.09 0.22 0.37 0.00 0.00 175.52 176.18 2occ h TYR 18 N 0.62 -0.21 0.00 3.16 5.03 -1.11 -1.99 116.97 122.48 2occ h TYR 18 Ca 0.16 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.50 2occ h TYR 18 Cb 0.09 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2occ h TYR 18 CO -0.01 -0.14 0.00 0.74 -1.32 0.00 0.00 178.16 177.43 2occ h PHE 19 N -0.06 0.00 -0.00 -3.82 0.04 -1.19 -3.11 116.94 108.80 2occ h PHE 19 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2occ h PHE 19 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2occ h PHE 19 CO -0.25 0.00 -0.08 0.09 -0.60 0.00 0.00 178.31 177.46 2occ n ASN 20 N -3.06 0.35 -4.62 2.17 3.02 -0.09 -4.51 115.26 108.53 2occ n ASN 20 Ca 0.03 -0.50 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 2occ n ASN 20 Cb 0.44 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 3.42 0.44 3.52 2.20 -0.87 -4.84 119.74 121.13 2occ s LYS 21 Ca 0.29 2.21 0.21 0.00 -0.36 0.00 0.00 55.97 58.32 2occ s LYS 21 Cb 0.20 -4.31 1.17 0.00 -1.51 0.00 0.00 37.83 33.38 2occ s LYS 21 CO 0.47 -1.77 1.84 -1.00 -0.36 0.00 0.00 175.35 174.52 2occ h PRO 22 N 13.78 0.31 -0.71 4.03 0.13 -1.92 -2.00 132.00 145.61 2occ h PRO 22 Ca -0.44 -0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 2occ h PRO 22 Cb 1.24 -0.07 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2occ h PRO 22 CO 0.95 0.21 0.32 -0.40 -0.23 0.00 0.00 178.00 178.85 2occ n ASP 23 N -4.48 3.27 -4.70 1.44 5.75 -1.26 -5.00 116.55 111.57 2occ n ASP 23 Ca 0.21 -3.70 -0.42 0.00 -0.01 0.00 0.00 54.79 50.87 2occ n ASP 23 Cb 0.81 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -3.33 3.00 0.66 2.12 2.07 -0.76 -5.01 121.20 119.97 2occ s ILE 24 Ca 0.52 0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 60.35 2occ s ILE 24 Cb 0.45 -3.39 0.09 0.00 0.13 0.00 0.00 42.46 39.74 2occ s ILE 24 CO 0.06 0.02 0.92 1.51 -1.91 0.00 0.00 174.94 175.54 2occ s ASP 25 N 1.73 4.72 0.25 4.50 1.47 -1.26 -4.92 116.67 123.16 2occ s ASP 25 Ca 0.70 -0.12 -0.04 0.00 1.18 0.00 0.00 52.55 54.28 2occ s ASP 25 Cb -0.40 -0.47 0.38 0.00 -0.34 0.00 0.00 42.92 42.09 2occ s ASP 25 CO 0.31 -1.59 1.86 0.00 0.68 0.00 0.00 175.17 176.44 2occ h ALA 26 N -0.34 1.29 -0.28 2.11 0.00 -1.98 -1.69 119.26 118.36 2occ h ALA 26 Ca -0.40 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2occ h ALA 26 Cb 1.28 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2occ h ALA 26 CO 0.47 0.34 -0.00 2.35 0.00 0.00 0.00 179.25 182.40 2occ h TRP 27 N 1.05 -0.02 0.00 0.00 7.01 -1.99 0.22 115.95 122.22 2occ h TRP 27 Ca 0.41 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.38 2occ h TRP 27 Cb 0.19 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2occ h TRP 27 CO -0.02 -0.05 -0.24 0.93 -2.79 0.00 0.00 178.44 176.26 2occ h GLU 28 N 0.08 0.00 -0.00 2.65 5.08 -1.79 0.63 114.58 121.23 2occ h GLU 28 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2occ h GLU 28 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2occ h GLU 28 CO -0.23 0.24 -0.00 1.25 -1.00 0.00 0.00 179.01 179.27 2occ h LEU 29 N 0.00 0.00 0.22 1.33 7.12 -0.33 -1.10 115.31 122.55 2occ h LEU 29 Ca -0.00 -0.57 -0.01 0.00 0.13 0.00 0.00 57.88 57.43 2occ h LEU 29 Cb 0.62 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2occ h LEU 29 CO 0.03 0.57 -0.11 0.03 -0.13 0.00 0.00 178.44 178.84 2occ h ARG 30 N -0.56 -0.29 -0.98 1.25 3.08 -0.46 -2.05 114.38 114.38 2occ h ARG 30 Ca 0.00 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.20 2occ h ARG 30 Cb 0.57 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 2occ h ARG 30 CO 0.00 -0.07 0.62 -0.22 -1.07 0.00 0.00 179.97 179.23 2occ h LYS 31 N -0.46 0.90 -0.10 0.04 1.63 -0.93 0.84 116.57 118.49 2occ h LYS 31 Ca -0.03 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2occ h LYS 31 Cb 0.35 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2occ h LYS 31 CO 0.05 0.60 0.01 0.78 -3.45 0.00 0.00 179.45 177.44 2occ h GLY 32 N 0.93 0.18 0.85 5.01 0.00 -0.99 -1.70 103.07 107.34 2occ h GLY 32 Ca 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 2occ h GLY 32 CO -0.25 0.11 0.01 -0.33 0.00 0.00 0.00 176.54 176.08 2occ h MET 33 N -0.08 0.42 0.00 4.80 2.86 -0.67 -1.36 114.93 120.90 2occ h MET 33 Ca 0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2occ h MET 33 Cb 0.31 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2occ h MET 33 CO 0.00 0.59 -0.03 -0.91 1.06 0.00 0.00 176.91 177.62 2occ h ASN 34 N 0.20 0.00 0.29 1.22 2.35 -0.87 -1.58 115.58 117.18 2occ h ASN 34 Ca 0.07 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.48 2occ h ASN 34 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2occ h ASN 34 CO 0.01 0.03 -1.72 0.74 -1.65 0.00 0.00 177.43 174.85 2occ h THR 35 N 0.00 0.95 0.00 2.81 2.02 -1.07 -3.36 112.91 114.27 2occ h THR 35 Ca -0.00 -2.59 -0.05 0.00 0.77 0.00 0.00 66.41 64.54 2occ h THR 35 Cb 0.09 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2occ h THR 35 CO 0.00 0.83 -0.24 0.25 0.37 0.00 0.00 175.52 176.74 2occ h LEU 36 N 0.08 0.00 -0.42 2.58 5.85 -0.51 -2.70 115.31 120.20 2occ h LEU 36 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2occ h LEU 36 Cb 2.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.09 2occ h LEU 36 CO 0.15 0.24 0.00 0.52 -0.34 0.00 0.00 178.44 179.01 2occ n VAL 37 N -3.88 0.78 1.28 1.05 0.31 -0.67 -3.02 118.33 114.19 2occ n VAL 37 Ca -0.02 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 2occ n VAL 37 Cb 0.32 -1.00 0.38 0.00 -0.91 0.00 0.00 33.84 32.63 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 0.29 -0.36 3.92 2.92 0.00 -1.02 -4.93 105.19 106.01 2occ n GLY 38 Ca 0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 3.32 -1.27 1.61 2.02 -1.17 -4.98 117.35 114.53 2occ s TYR 39 Ca 0.27 0.66 -0.11 0.00 -0.37 0.00 0.00 57.07 57.52 2occ s TYR 39 Cb 0.20 -2.63 0.16 0.00 -0.40 0.00 0.00 41.96 39.28 2occ s TYR 39 CO 0.47 -0.69 1.74 -3.47 -1.57 0.00 0.00 175.55 172.03 2occ n ASP 40 N -2.50 5.07 -3.64 2.29 2.03 -1.26 -4.85 116.55 113.69 2occ n ASP 40 Ca 0.04 -3.05 -0.02 0.00 0.52 0.00 0.00 54.79 52.28 2occ n ASP 40 Cb 0.57 -1.53 -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 0.72 -0.03 -0.26 -2.67 -0.00 -1.26 -5.11 118.68 110.07 2occ s LEU 41 Ca 0.42 0.01 -0.12 0.00 -0.00 0.00 0.00 54.13 54.44 2occ s LEU 41 Cb 0.05 1.07 -0.05 0.00 -0.00 0.00 0.00 46.19 47.26 2occ s LEU 41 CO 0.00 -0.04 0.22 -0.69 -0.00 0.00 0.00 176.35 175.85 2occ s VAL 42 N -1.76 5.29 0.28 1.48 1.01 -1.26 -4.97 120.40 120.48 2occ s VAL 42 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2occ s VAL 42 Cb -0.01 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 2occ s VAL 42 CO -0.04 0.26 1.27 -2.65 0.00 0.00 0.00 175.10 173.94 2occ n PRO 43 N 4.87 1.88 -1.61 2.72 -0.02 -1.26 -4.93 135.00 136.66 2occ n PRO 43 Ca -0.13 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 2occ n PRO 43 Cb 0.52 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.18 1.09 -0.34 -0.52 -0.58 -1.26 -4.76 120.64 115.46 2occ n GLU 44 Ca 0.09 0.41 0.08 0.00 -0.42 0.00 0.00 57.16 57.32 2occ n GLU 44 Cb 0.33 -2.11 0.25 0.00 -0.57 0.00 0.00 31.44 29.34 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 0.92 0.82 0.00 3.49 0.11 -1.93 0.60 132.00 136.01 2occ h PRO 45 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2occ h PRO 45 Cb 1.35 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2occ h PRO 45 CO 0.53 0.54 -0.01 1.57 -0.21 0.00 0.00 178.00 180.42 2occ h LYS 46 N 0.84 0.00 0.14 1.05 2.10 -1.95 0.55 116.57 119.30 2occ h LYS 46 Ca 0.50 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.92 2occ h LYS 46 Cb 0.62 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.98 2occ h LYS 46 CO -0.32 0.01 -1.00 0.82 -2.00 0.00 0.00 179.45 176.96 2occ h ILE 47 N 0.00 1.41 -0.89 0.07 2.04 -1.23 -3.05 117.51 115.86 2occ h ILE 47 Ca -0.00 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.36 2occ h ILE 47 Cb 0.02 2.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 2occ h ILE 47 CO 0.00 0.73 0.50 0.40 0.00 0.00 0.00 178.15 179.78 2occ h ILE 48 N -0.10 1.25 0.18 -0.67 1.08 -0.82 -1.86 117.51 116.57 2occ h ILE 48 Ca -0.17 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.71 2occ h ILE 48 Cb 1.76 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 2occ h ILE 48 CO 0.19 0.28 -0.34 -0.78 -0.69 0.00 0.00 178.15 176.81 2occ h ASP 49 N 1.24 -0.97 -0.59 1.72 3.58 -1.01 0.17 116.42 120.57 2occ h ASP 49 Ca 0.32 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.92 2occ h ASP 49 Cb 0.00 0.36 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 2occ h ASP 49 CO -0.05 -0.44 0.32 0.00 -2.88 0.00 0.00 179.24 176.19 2occ h ALA 50 N -0.02 0.77 -0.72 -0.78 0.00 -1.39 0.49 119.26 117.62 2occ h ALA 50 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2occ h ALA 50 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2occ h ALA 50 CO -0.16 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.37 2occ h ALA 51 N 1.30 1.16 -0.68 0.00 0.00 -0.98 0.36 119.26 120.42 2occ h ALA 51 Ca 0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2occ h ALA 51 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2occ h ALA 51 CO -0.16 0.61 0.17 -0.07 0.00 0.00 0.00 179.25 179.80 2occ h LEU 52 N 1.04 1.01 -0.41 0.00 3.38 0.50 -2.06 115.31 118.77 2occ h LEU 52 Ca 0.24 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2occ h LEU 52 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2occ h LEU 52 CO -0.02 0.97 -0.16 0.03 0.09 0.00 0.00 178.44 179.34 2occ h ARG 53 N 1.02 0.83 -0.29 1.13 3.08 -0.10 -2.23 114.38 117.83 2occ h ARG 53 Ca 0.22 -0.35 0.06 0.00 0.07 0.00 0.00 59.98 59.97 2occ h ARG 53 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2occ h ARG 53 CO 0.00 0.98 0.20 0.00 -1.07 0.00 0.00 179.97 180.08 2occ h ALA 54 N 0.83 2.10 -0.63 0.04 0.00 -0.71 0.70 119.26 121.58 2occ h ALA 54 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2occ h ALA 54 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2occ h ALA 54 CO 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 179.25 179.21 2occ h ARG 56 N 0.98 -0.37 -0.74 0.00 9.65 -0.56 0.25 114.38 123.59 2occ h ARG 56 Ca 0.19 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.25 2occ h ARG 56 Cb 0.48 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 2occ h ARG 56 CO 0.02 -0.22 0.50 0.00 2.80 0.00 0.00 179.97 183.07 2occ h ARG 57 N -0.43 0.36 -0.36 0.20 3.08 -1.14 0.43 114.38 116.52 2occ h ARG 57 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2occ h ARG 57 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2occ h ARG 57 CO 0.06 0.24 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 2occ n LEU 58 N -4.47 2.54 -3.81 3.04 4.77 -0.73 -4.95 117.00 113.39 2occ n LEU 58 Ca 0.14 -1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 54.73 2occ n LEU 58 Cb 0.55 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2occ n LEU 58 CO 0.33 0.58 -0.15 0.59 -1.33 0.00 0.00 177.39 177.42 2occ n ASN 59 N 0.89 -1.04 -3.90 -1.43 3.02 0.15 -4.95 115.26 108.00 2occ n ASN 59 Ca 0.17 -0.92 -0.30 0.00 -0.03 0.00 0.00 54.58 53.50 2occ n ASN 59 Cb 0.44 -3.56 -0.14 0.00 -0.61 0.00 0.00 39.78 35.91 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 -4.31 4.22 -0.00 6.41 -1.08 0.72 -4.96 116.67 117.66 2occ s ASP 60 Ca 0.03 -2.79 -0.25 0.00 -0.52 0.00 0.00 52.55 49.02 2occ s ASP 60 Cb -0.01 -1.49 -0.19 0.00 -1.46 0.00 0.00 42.92 39.77 2occ s ASP 60 CO 0.85 -0.26 1.33 0.15 0.52 0.00 0.00 175.17 177.76 2occ h PHE 61 N 6.72 -0.01 -0.59 -5.34 3.57 -1.92 -3.23 116.94 116.14 2occ h PHE 61 Ca -0.06 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.56 2occ h PHE 61 Cb 0.92 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.56 2occ h PHE 61 CO 0.50 0.40 0.04 0.00 -2.23 0.00 0.00 178.31 177.02 2occ h ALA 62 N 0.57 0.61 -0.25 2.41 0.00 -1.98 -0.33 119.26 120.29 2occ h ALA 62 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2occ h ALA 62 Cb 0.42 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2occ h ALA 62 CO 0.00 -0.37 0.16 0.77 0.00 0.00 0.00 179.25 179.81 2occ h SER 63 N 0.15 0.29 -0.60 0.00 0.02 -1.98 -0.18 113.55 111.26 2occ h SER 63 Ca 0.31 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2occ h SER 63 Cb 0.49 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2occ h SER 63 CO -0.47 0.22 -0.01 0.00 -1.14 0.00 0.00 176.83 175.43 2occ h ALA 64 N 1.84 0.84 -0.28 3.77 0.00 -1.09 -0.77 119.26 123.58 2occ h ALA 64 Ca 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2occ h ALA 64 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2occ h ALA 64 CO -0.02 0.67 -0.01 0.28 0.00 0.00 0.00 179.25 180.17 2occ h VAL 65 N 0.97 1.26 0.00 0.00 2.07 -0.76 -2.87 116.25 116.92 2occ h VAL 65 Ca 0.17 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2occ h VAL 65 Cb 0.57 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2occ h VAL 65 CO 0.03 0.30 -0.19 -0.09 0.02 0.00 0.00 177.57 177.64 2occ h ARG 66 N 0.28 0.00 -0.53 1.57 2.43 -0.89 -1.27 114.38 115.97 2occ h ARG 66 Ca 0.08 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2occ h ARG 66 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2occ h ARG 66 CO 0.02 0.19 0.00 0.82 -1.51 0.00 0.00 179.97 179.49 2occ h ILE 67 N 0.00 1.25 -0.21 1.20 2.04 -0.97 -0.91 117.51 119.92 2occ h ILE 67 Ca -0.00 -1.06 -0.13 0.00 1.00 0.00 0.00 64.86 64.66 2occ h ILE 67 Cb 0.36 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2occ h ILE 67 CO 0.03 0.38 -0.43 -0.07 0.00 0.00 0.00 178.15 178.06 2occ h LEU 68 N 0.84 0.53 -0.74 1.44 3.38 -1.05 -2.36 115.31 117.34 2occ h LEU 68 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2occ h LEU 68 Cb 0.49 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2occ h LEU 68 CO 0.02 0.89 0.36 -0.33 0.09 0.00 0.00 178.44 179.47 2occ h GLU 69 N 0.41 1.07 -0.60 1.13 5.08 -0.86 -2.80 114.58 118.01 2occ h GLU 69 Ca 0.03 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2occ h GLU 69 Cb 0.91 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2occ h GLU 69 CO 0.08 0.84 0.13 -0.24 -1.00 0.00 0.00 179.01 178.81 2occ h VAL 70 N 1.04 1.24 -0.57 3.13 3.04 -0.95 -2.02 116.25 121.17 2occ h VAL 70 Ca 0.26 -0.91 -0.04 0.00 -1.01 0.00 0.00 66.70 64.99 2occ h VAL 70 Cb 0.12 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 2occ h VAL 70 CO -0.03 0.34 0.19 0.58 -1.01 0.00 0.00 177.57 177.64 2occ h VAL 71 N 0.91 1.22 -0.10 1.51 2.07 -1.17 -0.86 116.25 119.82 2occ h VAL 71 Ca 0.19 -0.73 -0.20 0.00 0.82 0.00 0.00 66.70 66.78 2occ h VAL 71 Cb 0.35 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2occ h VAL 71 CO 0.00 0.28 -0.75 0.50 0.02 0.00 0.00 177.57 177.63 2occ h LYS 72 N 0.82 0.53 -0.39 1.57 3.64 -1.28 -3.13 116.57 118.34 2occ h LYS 72 Ca 0.19 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 2occ h LYS 72 Cb 0.22 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2occ h LYS 72 CO -0.01 1.06 0.06 0.22 -2.27 0.00 0.00 179.45 178.51 2occ h ASP 73 N 0.36 0.62 0.42 4.20 3.58 -0.97 -2.98 116.42 121.65 2occ h ASP 73 Ca -0.04 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2occ h ASP 73 Cb 1.34 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2occ h ASP 73 CO 0.14 0.72 -0.09 0.11 -2.88 0.00 0.00 179.24 177.24 2occ h LYS 74 N 0.49 0.00 0.00 0.28 1.79 -1.21 -2.13 116.57 115.79 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 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2occ h LYS 74 CO 0.01 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 178.47 2occ h ALA 75 N 1.91 1.00 -0.82 3.86 0.00 -1.46 -3.44 119.26 120.30 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 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 0.07 3.69 0.19 0.00 0.00 -0.80 -1.62 105.19 106.72 2occ n GLY 76 Ca 0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -5.78 1.61 0.13 -1.92 -3.41 132.00 122.63 2occ h PRO 77 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 2occ h PRO 77 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2occ h PRO 77 CO 0.00 0.00 1.85 -1.01 -0.23 0.00 0.00 178.00 178.61 2occ s HIS 78 N -3.30 2.54 -1.22 1.56 3.76 -0.64 -4.83 115.29 113.16 2occ s HIS 78 Ca 0.06 -1.01 0.06 0.00 -0.15 0.00 0.00 55.06 54.02 2occ s HIS 78 Cb 0.08 -4.55 0.26 0.00 1.11 0.00 0.00 32.58 29.48 2occ s HIS 78 CO 0.58 -1.67 1.10 0.36 -0.85 0.00 0.00 174.74 174.27 2occ n LYS 79 N 8.41 0.04 0.00 1.40 -0.00 -1.26 -2.48 118.16 124.27 2occ n LYS 79 Ca 0.47 0.32 0.12 0.00 -0.00 0.00 0.00 58.31 59.22 2occ n LYS 79 Cb 0.46 -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 -1.39 0.16 -0.03 -1.58 4.71 -1.26 -4.19 120.64 117.06 2occ n GLU 80 Ca 0.02 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.16 56.94 2occ n GLU 80 Cb 0.05 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.88 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 0.21 1.50 0.46 -3.67 2.04 -1.88 -3.18 117.51 112.98 2occ h ILE 81 Ca 0.00 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 2occ h ILE 81 Cb 0.49 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2occ h ILE 81 CO 0.00 0.49 -0.25 0.22 0.00 0.00 0.00 178.15 178.61 2occ h TYR 82 N -0.41 -0.66 -0.86 1.37 3.20 -1.79 -1.40 116.97 116.42 2occ h TYR 82 Ca -0.02 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 61.99 2occ h TYR 82 Cb 0.93 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.33 2occ h TYR 82 CO 0.16 -0.40 0.45 -1.35 -1.64 0.00 0.00 178.16 175.39 2occ h PRO 83 N -0.66 0.62 -0.61 1.82 0.11 -1.77 0.47 132.00 131.98 2occ h PRO 83 Ca -0.06 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 2occ h PRO 83 Cb 0.53 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 2occ h PRO 83 CO 0.08 0.41 0.23 -0.92 -0.21 0.00 0.00 178.00 177.59 2occ h TYR 84 N 0.64 0.90 -0.16 0.65 3.20 -1.48 0.19 116.97 120.91 2occ h TYR 84 Ca 0.47 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 62.13 2occ h TYR 84 Cb 0.66 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.66 2occ h TYR 84 CO -0.08 0.70 -0.52 0.28 -1.64 0.00 0.00 178.16 176.90 2occ h VAL 85 N 0.88 1.33 -0.34 1.81 2.07 0.74 -2.42 116.25 120.33 2occ h VAL 85 Ca 0.21 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 2occ h VAL 85 Cb 0.19 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2occ h VAL 85 CO -0.02 0.55 0.14 0.40 0.02 0.00 0.00 177.57 178.66 2occ h ILE 86 N 0.29 1.13 0.09 4.57 1.08 -0.03 -2.04 117.51 122.60 2occ h ILE 86 Ca -0.02 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2occ h ILE 86 Cb 1.15 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2occ h ILE 86 CO 0.11 0.15 -0.04 -0.61 -0.69 0.00 0.00 178.15 177.07 2occ h GLN 87 N 0.47 -0.11 0.00 2.37 4.15 -0.84 -1.51 115.11 119.63 2occ h GLN 87 Ca 0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2occ h GLN 87 Cb 0.09 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2occ h GLN 87 CO -0.01 0.06 0.00 0.93 -1.93 0.00 0.00 178.83 177.88 2occ h GLU 88 N -0.27 0.00 -0.00 1.69 4.39 -1.12 -2.77 114.58 116.50 2occ h GLU 88 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2occ h GLU 88 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2occ h GLU 88 CO 0.02 0.00 -0.61 1.28 -1.16 0.00 0.00 179.01 178.54 2occ n LEU 89 N -2.79 0.89 -0.22 1.33 4.77 -0.80 -4.51 117.00 115.67 2occ n LEU 89 Ca 0.01 -0.27 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2occ n LEU 89 Cb 0.29 -0.13 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2occ n LEU 89 CO 0.25 0.20 0.88 -0.09 -1.33 0.00 0.00 177.39 177.30 2occ h ARG 90 N 0.45 0.19 -0.75 3.23 9.65 -0.97 0.24 114.38 126.41 2occ h ARG 90 Ca 0.00 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.98 2occ h ARG 90 Cb 0.53 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.99 2occ h ARG 90 CO 0.00 0.12 0.37 -1.35 2.80 0.00 0.00 179.97 181.92 2occ h PRO 91 N 0.19 0.59 -0.20 0.20 0.11 -1.82 -0.98 132.00 130.09 2occ h PRO 91 Ca 0.35 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.24 2occ h PRO 91 Cb 0.58 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2occ h PRO 91 CO -0.50 0.39 -0.62 1.15 -0.21 0.00 0.00 178.00 178.20 2occ h THR 92 N 0.60 1.30 -0.60 -1.15 2.02 -1.48 -2.28 112.91 111.33 2occ h THR 92 Ca 0.38 -1.85 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 2occ h THR 92 Cb 0.45 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2occ h THR 92 CO -0.30 0.59 0.14 -0.07 0.37 0.00 0.00 175.52 176.24 2occ h LEU 93 N 0.52 0.87 -0.11 2.58 3.38 0.08 -2.57 115.31 120.07 2occ h LEU 93 Ca -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2occ h LEU 93 Cb 1.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2occ h LEU 93 CO 0.13 0.85 -0.07 0.78 0.09 0.00 0.00 178.44 180.22 2occ h ASN 94 N 0.89 0.25 -0.57 -0.43 2.35 -1.17 0.13 115.58 117.03 2occ h ASN 94 Ca 0.19 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.56 2occ h ASN 94 Cb 0.33 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2occ h ASN 94 CO 0.00 0.62 0.30 -0.08 -1.65 0.00 0.00 177.43 176.63 2occ h GLU 95 N -0.13 0.57 -0.02 0.81 4.81 -1.35 -2.26 114.58 117.01 2occ h GLU 95 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2occ h GLU 95 Cb 0.54 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2occ h GLU 95 CO 0.02 0.37 -0.13 1.28 -0.73 0.00 0.00 179.01 179.82 2occ n LEU 96 N -4.84 1.73 -2.84 1.64 4.77 -0.98 -4.94 117.00 111.54 2occ n LEU 96 Ca 0.06 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 2occ n LEU 96 Cb 0.14 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2occ n LEU 96 CO 0.29 0.30 0.17 0.61 -1.33 0.00 0.00 177.39 177.43 2occ n GLY 97 N 1.28 -0.22 3.65 -0.72 0.00 -0.49 -4.97 105.19 103.72 2occ n GLY 97 Ca 0.15 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.22 4.99 0.09 -0.61 1.01 0.35 -5.03 121.20 118.78 2occ s ILE 98 Ca 0.43 1.22 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 2occ s ILE 98 Cb -0.19 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 2occ s ILE 98 CO 0.53 0.07 0.52 -0.44 0.00 0.00 0.00 174.94 175.62 2occ s SER 99 N 1.29 6.89 0.67 3.58 0.01 -1.26 -4.67 113.70 120.21 2occ s SER 99 Ca 0.29 1.10 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 2occ s SER 99 Cb -0.16 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2occ s SER 99 CO 0.10 0.20 1.07 0.42 0.41 0.00 0.00 173.24 175.44 2occ s THR 100 N -1.28 3.72 0.53 1.44 -4.23 -1.26 -4.80 115.64 109.76 2occ s THR 100 Ca 0.32 0.67 0.20 0.00 -1.18 0.00 0.00 61.69 61.71 2occ s THR 100 Cb -0.17 -3.27 0.32 0.00 1.34 0.00 0.00 72.50 70.73 2occ s THR 100 CO 0.18 -0.62 2.10 -0.65 -0.54 0.00 0.00 174.62 175.09 2occ h PRO 101 N -0.30 0.00 -0.24 3.99 0.11 -1.95 -0.72 132.00 132.88 2occ h PRO 101 Ca -0.45 0.00 -0.18 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 0.56 0.00 -0.58 0.93 -0.21 0.00 0.00 178.00 178.70 2occ h GLU 102 N 0.00 0.76 -0.58 1.05 3.07 -1.94 0.43 114.58 117.37 2occ h GLU 102 Ca 0.08 -0.50 -0.09 0.00 -0.50 0.00 0.00 59.36 58.36 2occ h GLU 102 Cb 0.35 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2occ h GLU 102 CO -0.00 1.12 0.02 0.93 -1.40 0.00 0.00 179.01 179.68 2occ h GLU 103 N 0.57 0.99 0.00 2.33 5.08 -1.53 -2.33 114.58 119.70 2occ h GLU 103 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2occ h GLU 103 Cb 1.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2occ h GLU 103 CO 0.12 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.38 2occ n LEU 104 N -4.19 0.22 -0.38 1.33 4.77 -0.58 -4.92 117.00 113.24 2occ n LEU 104 Ca 0.03 0.52 -0.04 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 40.95 2occ n LEU 104 CO 0.43 -0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 176.97 2occ n GLY 105 N 1.24 0.36 0.21 -0.72 0.00 -0.54 -4.95 105.19 100.78 2occ n GLY 105 Ca 0.06 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 0.65 -2.10 0.99 4.77 0.14 -3.61 117.00 117.34 2occ n LEU 106 Ca -0.04 -0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 2occ n LEU 106 Cb 0.40 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 2occ n LEU 106 CO 0.05 0.11 1.22 -0.90 -1.33 0.00 0.00 177.39 176.54 2occ n ASP 107 N -0.49 3.91 0.00 -1.43 5.75 -1.25 -4.91 116.55 118.13 2occ n ASP 107 Ca 0.22 -3.44 0.00 0.00 -0.01 0.00 0.00 54.79 51.55 2occ n ASP 107 Cb 0.22 -0.81 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 -0.95 2.85 0.00 0.11 2.85 -1.24 -5.11 118.16 116.67 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 1.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.87 2occ n LYS 108 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68