#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guo s ASN 2 N 0.00 0.67 0.30 6.12 2.20 -1.26 -5.03 114.94 117.93 3guo s ASN 2 Ca 0.00 -1.39 0.03 0.00 -0.94 0.00 0.00 52.86 50.57 3guo s ASN 2 Cb 0.00 0.59 0.62 0.00 -2.00 0.00 0.00 41.25 40.46 3guo s ASN 2 CO 0.00 -1.17 1.83 -0.29 -2.94 0.00 0.00 177.10 174.54 3guo h ILE 3 N 2.23 0.87 -0.03 0.54 6.09 -2.00 -0.50 117.51 124.71 3guo h ILE 3 Ca -0.29 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 62.87 3guo h ILE 3 Cb 1.24 -0.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.41 3guo h ILE 3 CO 0.40 0.17 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.35 3guo h PHE 4 N 0.92 0.09 -0.61 2.19 0.04 -1.99 -1.06 116.94 116.51 3guo h PHE 4 Ca 0.50 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.22 3guo h PHE 4 Cb 0.59 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 3guo h PHE 4 CO -0.00 0.58 0.28 0.93 -0.60 0.00 0.00 178.31 179.50 3guo h GLU 5 N -0.42 0.87 -0.23 1.51 5.08 -1.93 -0.99 114.58 118.47 3guo h GLU 5 Ca 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3guo h GLU 5 Cb 0.57 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3guo h GLU 5 CO 0.01 0.68 0.05 1.98 -1.00 0.00 0.00 179.01 180.73 3guo h MET 6 N 0.87 0.38 -0.42 2.33 4.05 -1.00 -2.25 114.93 118.88 3guo h MET 6 Ca 0.21 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 3guo h MET 6 Cb 0.11 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3guo h MET 6 CO -0.03 0.50 -0.06 -0.07 0.23 0.00 0.00 176.91 177.48 3guo h LEU 7 N 0.19 0.78 -0.93 3.39 3.38 -1.02 -2.32 115.31 118.78 3guo h LEU 7 Ca 0.07 -0.34 0.22 0.00 0.09 0.00 0.00 57.88 57.92 3guo h LEU 7 Cb 0.30 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 3guo h LEU 7 CO 0.00 0.94 0.46 0.03 0.09 0.00 0.00 178.44 179.96 3guo h ARG 8 N 0.61 0.46 -0.14 1.13 3.08 -1.15 0.37 114.38 118.74 3guo h ARG 8 Ca 0.11 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.93 3guo h ARG 8 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3guo h ARG 8 CO 0.03 0.30 -0.71 0.82 -1.07 0.00 0.00 179.97 179.34 3guo h ILE 9 N 0.47 1.32 0.19 2.04 2.04 -1.21 0.03 117.51 122.40 3guo h ILE 9 Ca 0.58 -1.99 -0.32 0.00 1.00 0.00 0.00 64.86 64.13 3guo h ILE 9 Cb 1.09 1.97 0.02 0.00 -0.74 0.00 0.00 36.82 39.16 3guo h ILE 9 CO -0.50 0.62 -1.44 0.44 0.00 0.00 0.00 178.15 177.27 3guo h ASP 10 N 0.44 0.64 0.00 1.72 3.32 -0.80 -3.35 116.42 118.39 3guo h ASP 10 Ca -0.03 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.30 3guo h ASP 10 Cb 1.31 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3guo h ASP 10 CO 0.14 1.57 -1.17 -0.62 -1.72 0.00 0.00 179.24 177.45 3guo n GLU 11 N -3.61 0.68 0.00 3.56 -0.58 0.12 -4.68 120.64 116.12 3guo n GLU 11 Ca -0.15 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 3guo n GLU 11 Cb 1.07 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 3guo n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3guo n GLY 12 N 1.43 2.28 3.34 0.62 0.00 -0.00 -4.26 105.19 108.60 3guo n GLY 12 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3guo n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3guo s LEU 13 N 0.00 -0.38 -0.05 0.99 2.96 -1.26 -4.22 118.68 116.72 3guo s LEU 13 Ca 0.00 1.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3guo s LEU 13 Cb 0.00 1.53 0.03 0.00 0.50 0.00 0.00 46.19 48.25 3guo s LEU 13 CO 0.00 -0.21 0.01 -0.13 -1.32 0.00 0.00 176.35 174.70 3guo s ARG 14 N 1.76 0.43 0.00 1.98 1.81 -0.36 -4.97 118.95 119.59 3guo s ARG 14 Ca -0.08 0.13 0.21 0.00 -1.72 0.00 0.00 55.73 54.27 3guo s ARG 14 Cb -0.09 -0.75 0.61 0.00 -0.45 0.00 0.00 34.95 34.27 3guo s ARG 14 CO -0.14 -0.24 1.48 1.28 -0.68 0.00 0.00 175.30 176.99 3guo n LEU 15 N 4.81 2.28 -4.62 2.53 4.77 -1.26 0.17 117.00 125.68 3guo n LEU 15 Ca -0.13 -0.98 -0.26 0.00 -0.03 0.00 0.00 56.01 54.62 3guo n LEU 15 Cb 0.50 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3guo n LEU 15 CO 0.14 0.49 -0.36 -0.75 -1.33 0.00 0.00 177.39 175.58 3guo s LYS 16 N -1.67 2.24 0.45 3.23 2.20 -1.26 -2.61 119.74 122.31 3guo s LYS 16 Ca 0.34 -1.25 -0.24 0.00 -0.36 0.00 0.00 55.97 54.46 3guo s LYS 16 Cb 0.19 -2.23 -0.07 0.00 -1.51 0.00 0.00 37.83 34.20 3guo s LYS 16 CO 0.27 0.42 1.24 0.42 -0.36 0.00 0.00 175.35 177.34 3guo s ILE 17 N -1.87 2.80 0.08 5.43 1.01 -1.12 -4.66 121.20 122.88 3guo s ILE 17 Ca 0.27 0.65 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 3guo s ILE 17 Cb -0.08 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3guo s ILE 17 CO 0.18 0.03 0.21 -0.72 0.00 0.00 0.00 174.94 174.63 3guo s TYR 18 N -1.40 0.11 -0.19 3.97 1.13 -0.06 -4.96 117.35 115.94 3guo s TYR 18 Ca 0.62 -0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 55.54 3guo s TYR 18 Cb -0.33 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 3guo s TYR 18 CO 0.41 -0.54 0.74 0.15 -2.51 0.00 0.00 175.55 173.80 3guo s LYS 19 N -3.70 4.24 0.00 -3.49 1.02 -1.26 -1.38 119.74 115.17 3guo s LYS 19 Ca 0.04 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.84 3guo s LYS 19 Cb 0.04 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 3guo s LYS 19 CO -0.10 -0.32 0.00 -0.40 -0.92 0.00 0.00 175.35 173.61 3guo n ASP 20 N 5.27 0.00 0.19 2.83 5.68 -0.54 -4.86 116.55 125.12 3guo n ASP 20 Ca 0.02 -0.97 0.14 0.00 -0.50 0.00 0.00 54.79 53.48 3guo n ASP 20 Cb 0.49 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.03 3guo n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3guo n GLU 22 N -2.60 1.13 -0.91 0.00 1.02 -1.26 -4.73 120.64 113.29 3guo n GLU 22 Ca 0.02 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 3guo n GLU 22 Cb 0.27 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3guo n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3guo n GLY 23 N 1.31 0.50 3.97 0.62 0.00 -0.59 -5.07 105.19 105.93 3guo n GLY 23 Ca 0.14 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3guo n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3guo s TYR 24 N -2.00 3.44 0.08 1.61 2.02 -1.26 -4.80 117.35 116.43 3guo s TYR 24 Ca 0.00 0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.47 3guo s TYR 24 Cb 0.00 -1.66 -0.06 0.00 -0.40 0.00 0.00 41.96 39.84 3guo s TYR 24 CO 0.00 0.34 0.85 0.71 -1.57 0.00 0.00 175.55 175.88 3guo s TYR 25 N -2.06 3.78 0.00 2.71 2.02 -1.19 -1.46 117.35 121.15 3guo s TYR 25 Ca 0.36 1.62 -0.22 0.00 -0.37 0.00 0.00 57.07 58.45 3guo s TYR 25 Cb -0.09 -2.91 0.05 0.00 -0.40 0.00 0.00 41.96 38.60 3guo s TYR 25 CO 0.31 0.26 0.49 0.99 -1.57 0.00 0.00 175.55 176.03 3guo s THR 26 N -0.10 0.03 0.23 -0.71 2.01 -0.48 -0.34 115.64 116.28 3guo s THR 26 Ca 0.42 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 3guo s THR 26 Cb -0.22 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.41 3guo s THR 26 CO 0.26 -0.15 0.51 -0.51 -0.69 0.00 0.00 174.62 174.03 3guo s ILE 27 N -1.80 0.01 0.00 1.82 2.07 -0.26 -0.88 121.20 122.15 3guo s ILE 27 Ca -0.09 -1.20 0.00 0.00 -1.41 0.00 0.00 60.65 57.95 3guo s ILE 27 Cb -0.02 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.58 3guo s ILE 27 CO 0.03 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 3guo n GLY 28 N -0.37 3.06 3.38 1.50 0.00 0.46 -0.94 105.19 112.28 3guo n GLY 28 Ca -0.04 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 3guo n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3guo s ILE 29 N 0.00 5.56 -1.64 -0.61 1.09 -1.26 -1.23 121.20 123.11 3guo s ILE 29 Ca 0.00 -2.89 -0.02 0.00 -1.10 0.00 0.00 60.65 56.64 3guo s ILE 29 Cb 0.00 -4.69 0.00 0.00 -1.06 0.00 0.00 42.46 36.72 3guo s ILE 29 CO 0.00 -1.31 0.26 0.61 -0.10 0.00 0.00 174.94 174.40 3guo n GLY 30 N 3.54 -0.51 3.56 6.18 0.00 -1.25 -4.89 105.19 111.82 3guo n GLY 30 Ca 0.26 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 3guo n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3guo s HIS 31 N -3.07 2.78 -0.07 1.61 5.04 -0.12 -4.91 115.29 116.55 3guo s HIS 31 Ca 0.14 0.28 -0.30 0.00 -1.54 0.00 0.00 55.06 53.64 3guo s HIS 31 Cb -0.06 -4.19 -0.04 0.00 0.04 0.00 0.00 32.58 28.32 3guo s HIS 31 CO 0.17 -1.33 1.47 -1.17 -2.34 0.00 0.00 174.74 171.53 3guo s LEU 32 N 4.20 4.28 -0.14 8.88 2.96 -1.26 -1.11 118.68 136.49 3guo s LEU 32 Ca 0.37 2.04 -0.28 0.00 -0.22 0.00 0.00 54.13 56.04 3guo s LEU 32 Cb -0.10 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.79 3guo s LEU 32 CO 0.24 -0.82 0.74 -0.07 -1.32 0.00 0.00 176.35 175.12 3guo h LEU 33 N 9.59 0.02 -7.00 -0.68 3.38 -1.04 -3.48 115.31 116.09 3guo h LEU 33 Ca -0.35 -0.97 0.01 0.00 0.09 0.00 0.00 57.88 56.66 3guo h LEU 33 Cb 1.15 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 3guo h LEU 33 CO 0.95 1.05 0.29 0.28 0.09 0.00 0.00 178.44 181.09 3guo s THR 34 N -2.24 0.00 -2.16 0.22 -1.32 -1.22 -4.93 115.64 104.00 3guo s THR 34 Ca -0.19 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.52 3guo s THR 34 Cb -0.02 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.06 3guo s THR 34 CO 0.69 0.00 1.23 0.29 -2.21 0.00 0.00 174.62 174.62 3guo n LYS 35 N -0.10 1.33 -1.79 7.08 5.02 -1.26 -3.14 118.16 125.30 3guo n LYS 35 Ca -0.15 -1.05 -0.39 0.00 -2.02 0.00 0.00 58.31 54.70 3guo n LYS 35 Cb 0.63 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 3guo n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3guo s SER 36 N -2.39 5.61 0.00 4.39 0.15 -1.26 -4.92 113.70 115.28 3guo s SER 36 Ca 0.22 2.86 0.17 0.00 0.70 0.00 0.00 55.95 59.90 3guo s SER 36 Cb 0.19 -2.65 0.98 0.00 -1.71 0.00 0.00 66.02 62.83 3guo s SER 36 CO 0.51 -1.35 1.45 -0.81 1.20 0.00 0.00 173.24 174.24 3guo n PRO 37 N -0.55 0.46 -3.49 5.44 -0.04 -1.26 -4.78 135.00 130.77 3guo n PRO 37 Ca 0.07 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 3guo n PRO 37 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3guo n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3guo s ASP 38 N -2.16 6.13 0.22 3.54 3.68 -1.26 -4.99 116.67 121.84 3guo s ASP 38 Ca 0.23 0.11 -0.08 0.00 2.13 0.00 0.00 52.55 54.93 3guo s ASP 38 Cb 0.12 -2.17 0.21 0.00 -1.45 0.00 0.00 42.92 39.63 3guo s ASP 38 CO 0.22 -0.13 1.89 0.25 0.13 0.00 0.00 175.17 177.52 3guo h LEU 39 N 8.50 0.92 -1.00 -1.34 5.85 -2.00 -2.83 115.31 123.41 3guo h LEU 39 Ca -0.33 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3guo h LEU 39 Cb 1.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3guo h LEU 39 CO 0.60 0.65 0.47 0.78 -0.34 0.00 0.00 178.44 180.60 3guo h ASN 40 N 1.08 1.04 -0.93 1.25 2.35 -1.98 -0.54 115.58 117.85 3guo h ASN 40 Ca 0.31 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.06 3guo h ASN 40 Cb -0.07 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 37.97 3guo h ASN 40 CO -0.09 0.83 0.60 0.00 -1.65 0.00 0.00 177.43 177.13 3guo h ALA 41 N 1.34 1.52 -0.07 -0.83 0.00 -1.93 -2.26 119.26 117.03 3guo h ALA 41 Ca 0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 3guo h ALA 41 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3guo h ALA 41 CO -0.05 0.31 -0.81 0.00 0.00 0.00 0.00 179.25 178.70 3guo h ALA 42 N 1.51 0.43 0.00 0.00 0.00 -1.15 -0.54 119.26 119.51 3guo h ALA 42 Ca 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3guo h ALA 42 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3guo h ALA 42 CO -0.17 0.75 0.00 0.87 0.00 0.00 0.00 179.25 180.70 3guo h LYS 43 N 0.34 0.00 0.04 0.00 1.57 -0.86 -0.59 116.57 117.08 3guo h LYS 43 Ca -0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.37 3guo h LYS 43 Cb 1.42 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.69 3guo h LYS 43 CO 0.15 0.00 -2.11 -1.13 -0.57 0.00 0.00 179.45 175.79 3guo n SER 44 N -2.58 1.44 -0.28 0.86 3.41 -0.88 -2.91 113.62 112.67 3guo n SER 44 Ca 0.02 0.14 -0.01 0.00 -0.26 0.00 0.00 58.87 58.77 3guo n SER 44 Cb 0.31 -0.25 0.19 0.00 -0.26 0.00 0.00 64.21 64.19 3guo n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3guo h GLU 45 N 0.03 1.12 0.15 4.33 4.39 -0.94 0.87 114.58 124.53 3guo h GLU 45 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3guo h GLU 45 Cb 2.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 3guo h GLU 45 CO 0.03 0.75 -0.15 1.25 -1.16 0.00 0.00 179.01 179.73 3guo h LEU 46 N 1.15 -0.40 -0.63 1.33 5.85 -1.23 0.16 115.31 121.53 3guo h LEU 46 Ca 0.31 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3guo h LEU 46 Cb -0.12 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3guo h LEU 46 CO -0.07 -0.23 0.37 0.44 -0.34 0.00 0.00 178.44 178.61 3guo h ASP 47 N -0.33 0.58 -0.07 1.25 3.32 -1.36 -1.87 116.42 117.94 3guo h ASP 47 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3guo h ASP 47 Cb 0.32 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3guo h ASP 47 CO -0.04 0.39 -0.17 0.50 -1.72 0.00 0.00 179.24 178.20 3guo h LYS 48 N 0.71 -0.23 -0.80 3.56 3.64 -0.74 0.18 116.57 122.89 3guo h LYS 48 Ca 0.27 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3guo h LYS 48 Cb 0.10 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3guo h LYS 48 CO -0.14 -0.15 0.46 0.00 -2.27 0.00 0.00 179.45 177.35 3guo h ALA 49 N 0.75 1.30 0.12 5.00 0.00 -0.33 -3.31 119.26 122.79 3guo h ALA 49 Ca 0.08 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 3guo h ALA 49 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3guo h ALA 49 CO -0.21 0.58 -1.84 0.82 0.00 0.00 0.00 179.25 178.60 3guo h ILE 50 N 1.11 0.72 0.00 0.00 1.08 -1.31 -3.49 117.51 115.61 3guo h ILE 50 Ca 0.29 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 3guo h ILE 50 Cb -0.01 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 3guo h ILE 50 CO -0.05 0.81 0.00 0.61 -0.69 0.00 0.00 178.15 178.83 3guo n GLY 51 N 1.89 1.25 3.41 5.37 0.00 0.04 -5.10 105.19 112.05 3guo n GLY 51 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 3guo n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3guo s ARG 52 N -0.33 1.23 -0.27 1.61 1.70 -1.17 -5.05 118.95 116.66 3guo s ARG 52 Ca 0.00 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 53.96 3guo s ARG 52 Cb 0.00 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3guo s ARG 52 CO 0.00 -0.48 1.29 -0.80 -1.08 0.00 0.00 175.30 174.23 3guo s ASN 53 N -2.92 6.73 -0.09 -2.89 0.02 -1.26 -4.27 114.94 110.26 3guo s ASN 53 Ca 0.12 1.30 -0.14 0.00 -1.02 0.00 0.00 52.86 53.13 3guo s ASN 53 Cb 0.02 -2.54 -0.11 0.00 0.02 0.00 0.00 41.25 38.64 3guo s ASN 53 CO -0.02 -1.02 0.45 0.00 0.02 0.00 0.00 177.10 176.53 3guo s ASN 55 N -5.64 5.06 0.00 0.00 3.04 -1.26 -4.30 114.94 111.84 3guo s ASN 55 Ca -0.08 -1.91 0.00 0.00 0.04 0.00 0.00 52.86 50.90 3guo s ASN 55 Cb -0.01 -1.76 0.00 0.00 -1.54 0.00 0.00 41.25 37.95 3guo s ASN 55 CO 0.31 -0.45 0.00 0.61 -3.04 0.00 0.00 177.10 174.53 3guo n GLY 56 N 4.52 0.56 3.00 1.21 0.00 -1.26 -4.99 105.19 108.23 3guo n GLY 56 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3guo n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3guo s VAL 57 N -2.63 0.70 0.17 1.61 1.01 -1.26 -2.79 120.40 117.22 3guo s VAL 57 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3guo s VAL 57 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3guo s VAL 57 CO 0.00 0.21 -0.03 0.27 0.00 0.00 0.00 175.10 175.55 3guo s ILE 58 N 0.03 0.89 0.82 2.22 -4.36 -1.07 -4.76 121.20 114.96 3guo s ILE 58 Ca -0.00 -2.01 -0.09 0.00 -0.26 0.00 0.00 60.65 58.29 3guo s ILE 58 Cb -0.06 -2.07 0.14 0.00 1.25 0.00 0.00 42.46 41.72 3guo s ILE 58 CO -0.00 -0.54 1.15 0.42 0.24 0.00 0.00 174.94 176.21 3guo s THR 59 N -3.52 2.11 0.06 8.37 -4.23 -1.26 -4.76 115.64 112.42 3guo s THR 59 Ca 0.22 -0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 3guo s THR 59 Cb 0.05 -2.88 -0.18 0.00 1.34 0.00 0.00 72.50 70.83 3guo s THR 59 CO 0.03 0.00 1.24 0.50 -0.54 0.00 0.00 174.62 175.86 3guo h LYS 60 N -1.04 0.62 -0.71 3.99 3.64 -2.01 -1.68 116.57 119.38 3guo h LYS 60 Ca -0.42 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.43 3guo h LYS 60 Cb 1.27 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 3guo h LYS 60 CO 0.46 1.15 0.45 -0.44 -2.27 0.00 0.00 179.45 178.80 3guo h ASP 61 N 0.27 0.84 -0.60 4.20 5.19 -1.99 -1.76 116.42 122.58 3guo h ASP 61 Ca -0.05 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.25 3guo h ASP 61 Cb 1.29 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 3guo h ASP 61 CO 0.13 0.63 0.12 -0.33 -3.12 0.00 0.00 179.24 176.67 3guo h GLU 62 N 0.97 0.98 -0.03 3.56 5.08 -1.95 -1.10 114.58 122.09 3guo h GLU 62 Ca 0.26 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3guo h GLU 62 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3guo h GLU 62 CO -0.05 0.91 -0.21 0.00 -1.00 0.00 0.00 179.01 178.66 3guo h ALA 63 N 1.02 1.60 0.00 3.43 0.00 -0.96 -0.97 119.26 123.39 3guo h ALA 63 Ca 0.18 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3guo h ALA 63 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3guo h ALA 63 CO 0.01 0.30 -1.14 0.93 0.00 0.00 0.00 179.25 179.35 3guo h GLU 64 N 0.04 0.00 -0.05 0.00 5.08 -0.89 0.14 114.58 118.90 3guo h GLU 64 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3guo h GLU 64 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3guo h GLU 64 CO 0.03 0.75 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.55 3guo h LYS 65 N 0.00 0.10 -0.69 2.33 3.64 -0.99 -0.40 116.57 120.55 3guo h LYS 65 Ca -0.09 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3guo h LYS 65 Cb 1.76 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.50 3guo h LYS 65 CO 0.10 0.49 0.31 -0.07 -2.27 0.00 0.00 179.45 178.01 3guo h LEU 66 N -0.29 0.36 -0.34 5.20 3.38 -1.14 -0.45 115.31 122.03 3guo h LEU 66 Ca 0.01 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3guo h LEU 66 Cb 0.45 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3guo h LEU 66 CO 0.01 0.20 0.14 0.15 0.09 0.00 0.00 178.44 179.02 3guo h PHE 67 N 0.52 0.51 -0.69 1.13 3.57 -0.60 -0.57 116.94 120.81 3guo h PHE 67 Ca 0.35 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 3guo h PHE 67 Cb 0.42 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3guo h PHE 67 CO -0.13 0.48 0.29 -0.97 -2.23 0.00 0.00 178.31 175.74 3guo h ASN 68 N 0.40 0.93 -0.51 0.41 -1.24 -0.55 -0.10 115.58 114.91 3guo h ASN 68 Ca 0.11 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3guo h ASN 68 Cb 0.18 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3guo h ASN 68 CO -0.01 0.82 0.25 1.56 -1.29 0.00 0.00 177.43 178.76 3guo h GLN 69 N 1.00 0.74 -0.33 6.67 4.20 -0.74 -2.00 115.11 124.65 3guo h GLN 69 Ca 0.23 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 3guo h GLN 69 Cb 0.18 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3guo h GLN 69 CO -0.02 0.61 -0.36 -0.44 -0.67 0.00 0.00 178.83 177.95 3guo h ASP 70 N 0.68 0.88 -0.30 1.46 3.32 -0.74 -0.17 116.42 121.55 3guo h ASP 70 Ca 0.18 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.78 3guo h ASP 70 Cb 0.12 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3guo h ASP 70 CO -0.02 1.18 0.11 0.58 -1.72 0.00 0.00 179.24 179.37 3guo h VAL 71 N 0.60 0.92 -0.37 -1.35 2.07 -1.04 -2.09 116.25 114.99 3guo h VAL 71 Ca 0.05 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3guo h VAL 71 Cb 0.95 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3guo h VAL 71 CO 0.09 0.04 0.04 -0.78 0.02 0.00 0.00 177.57 176.98 3guo h ASP 72 N 0.24 -0.07 -0.34 0.57 1.82 -1.25 -1.29 116.42 116.11 3guo h ASP 72 Ca 0.13 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 3guo h ASP 72 Cb 0.10 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 3guo h ASP 72 CO -0.14 0.00 0.11 0.00 -1.61 0.00 0.00 179.24 177.61 3guo h ALA 73 N 1.30 1.44 -0.25 -0.78 0.00 -0.91 -1.32 119.26 118.74 3guo h ALA 73 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3guo h ALA 73 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3guo h ALA 73 CO -0.26 0.42 -0.29 0.00 0.00 0.00 0.00 179.25 179.11 3guo h ALA 74 N 1.54 0.37 -0.06 0.00 0.00 -0.86 0.45 119.26 120.70 3guo h ALA 74 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3guo h ALA 74 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3guo h ALA 74 CO -0.01 0.39 0.03 0.28 0.00 0.00 0.00 179.25 179.94 3guo h VAL 75 N 0.35 1.12 -0.49 0.00 2.07 -1.00 -2.12 116.25 116.17 3guo h VAL 75 Ca 0.03 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3guo h VAL 75 Cb 0.86 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3guo h VAL 75 CO 0.07 0.10 0.08 0.03 0.02 0.00 0.00 177.57 177.87 3guo h ARG 76 N -0.05 0.77 -0.98 1.57 3.08 -1.25 -2.07 114.38 115.46 3guo h ARG 76 Ca 0.02 -0.17 0.09 0.00 0.07 0.00 0.00 59.98 59.99 3guo h ARG 76 Cb 0.14 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 3guo h ARG 76 CO -0.00 0.73 0.62 0.78 -1.07 0.00 0.00 179.97 181.03 3guo h GLY 77 N 0.95 1.55 0.75 0.04 0.00 0.13 -1.87 103.07 104.61 3guo h GLY 77 Ca 0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3guo h GLY 77 CO 0.01 0.24 -0.02 -2.22 0.00 0.00 0.00 176.54 174.55 3guo h ILE 78 N 1.06 1.28 0.00 2.60 2.04 -0.80 -2.89 117.51 120.80 3guo h ILE 78 Ca 0.45 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3guo h ILE 78 Cb 0.32 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3guo h ILE 78 CO -0.22 0.27 -0.19 -0.07 0.00 0.00 0.00 178.15 177.94 3guo h LEU 79 N -0.07 0.00 -0.15 1.44 3.38 -1.09 -2.35 115.31 116.47 3guo h LEU 79 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3guo h LEU 79 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3guo h LEU 79 CO 0.01 0.19 -0.50 0.54 0.09 0.00 0.00 178.44 178.76 3guo n ARG 80 N -3.43 0.23 -3.20 1.13 1.74 -0.73 -4.81 116.66 107.58 3guo n ARG 80 Ca -0.00 -0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 3guo n ARG 80 Cb 0.37 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3guo n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3guo s ASN 81 N -2.87 6.42 0.57 0.55 3.84 -0.89 -4.96 114.94 117.61 3guo s ASN 81 Ca 0.14 0.38 0.32 0.00 0.21 0.00 0.00 52.86 53.91 3guo s ASN 81 Cb 0.18 -2.29 1.74 0.00 -0.55 0.00 0.00 41.25 40.33 3guo s ASN 81 CO 0.68 -0.38 2.17 0.00 -2.79 0.00 0.00 177.10 176.78 3guo h ALA 82 N 8.16 1.26 0.09 1.71 0.00 -1.88 0.44 119.26 129.03 3guo h ALA 82 Ca -0.28 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3guo h ALA 82 Cb 1.13 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3guo h ALA 82 CO 0.75 0.07 -0.63 0.87 0.00 0.00 0.00 179.25 180.31 3guo h LYS 83 N 0.00 0.18 -0.08 0.00 1.57 -1.92 -3.39 116.57 112.93 3guo h LYS 83 Ca -0.00 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 3guo h LYS 83 Cb 0.20 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.63 3guo h LYS 83 CO 0.01 1.15 -0.58 -0.07 -0.57 0.00 0.00 179.45 179.39 3guo h LEU 84 N -0.60 0.65 0.19 2.94 3.38 -1.73 -3.37 115.31 116.78 3guo h LEU 84 Ca -0.12 -0.67 0.01 0.00 0.09 0.00 0.00 57.88 57.19 3guo h LEU 84 Cb 1.43 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3guo h LEU 84 CO 0.08 1.22 -0.29 0.50 0.09 0.00 0.00 178.44 180.04 3guo h LYS 85 N 0.14 -0.52 0.00 1.13 3.64 -0.85 0.24 116.57 120.35 3guo h LYS 85 Ca -0.05 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3guo h LYS 85 Cb 1.24 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3guo h LYS 85 CO 0.12 -0.35 -0.06 -1.00 -2.27 0.00 0.00 179.45 175.89 3guo h PRO 86 N -0.54 0.00 0.14 1.90 0.13 -1.76 0.35 132.00 132.21 3guo h PRO 86 Ca 0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.86 3guo h PRO 86 Cb 0.54 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.70 3guo h PRO 86 CO -0.12 0.06 -1.18 0.28 -0.23 0.00 0.00 178.00 176.81 3guo h VAL 87 N 0.00 1.32 -0.40 1.56 2.07 -1.41 -2.99 116.25 116.41 3guo h VAL 87 Ca -0.00 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 65.07 3guo h VAL 87 Cb 0.18 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3guo h VAL 87 CO 0.01 0.74 0.21 0.22 0.02 0.00 0.00 177.57 178.77 3guo h TYR 88 N 0.14 0.40 0.00 1.57 3.20 0.01 -2.93 116.97 119.35 3guo h TYR 88 Ca -0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3guo h TYR 88 Cb 1.88 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.03 3guo h TYR 88 CO 0.13 0.22 0.00 -0.44 -1.64 0.00 0.00 178.16 176.43 3guo h ASP 89 N 0.43 0.00 1.32 -2.11 3.32 -0.95 -1.97 116.42 116.46 3guo h ASP 89 Ca 0.17 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3guo h ASP 89 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3guo h ASP 89 CO -0.10 0.00 -0.32 0.77 -1.72 0.00 0.00 179.24 177.86 3guo h SER 90 N 0.00 0.00 -3.98 6.45 4.64 -1.36 -3.46 113.55 115.83 3guo h SER 90 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3guo h SER 90 Cb 0.48 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.62 3guo h SER 90 CO 0.00 0.32 0.47 -0.76 -0.87 0.00 0.00 176.83 175.99 3guo s LEU 91 N -6.57 4.08 0.94 5.97 1.43 -0.74 -5.04 118.68 118.75 3guo s LEU 91 Ca 0.03 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 3guo s LEU 91 Cb 0.08 -4.19 0.16 0.00 0.03 0.00 0.00 46.19 42.27 3guo s LEU 91 CO 0.69 -0.76 1.10 1.51 0.23 0.00 0.00 176.35 179.12 3guo s ASP 92 N -1.38 3.09 0.26 2.29 -4.77 -1.26 -4.77 116.67 110.12 3guo s ASP 92 Ca 0.61 1.29 -0.05 0.00 -3.30 0.00 0.00 52.55 51.10 3guo s ASP 92 Cb -0.27 -1.96 0.50 0.00 -1.09 0.00 0.00 42.92 40.10 3guo s ASP 92 CO 0.33 -2.85 1.63 0.00 0.70 0.00 0.00 175.17 174.97 3guo h ALA 93 N -1.70 0.87 -0.00 2.11 0.00 -1.97 -1.92 119.26 116.65 3guo h ALA 93 Ca -0.52 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3guo h ALA 93 Cb 1.31 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.55 3guo h ALA 93 CO 0.57 -0.44 -0.35 0.28 0.00 0.00 0.00 179.25 179.31 3guo h VAL 94 N 0.10 1.51 -0.14 0.00 2.07 -1.93 -3.11 116.25 114.75 3guo h VAL 94 Ca 0.45 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 66.03 3guo h VAL 94 Cb 0.82 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3guo h VAL 94 CO -0.71 0.55 0.10 0.03 0.02 0.00 0.00 177.57 177.57 3guo h ARG 95 N -0.38 0.00 -1.85 1.57 3.08 -1.81 -2.71 114.38 112.29 3guo h ARG 95 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3guo h ARG 95 Cb 1.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3guo h ARG 95 CO 0.07 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 3guo n ARG 96 N -4.50 0.17 0.00 0.04 1.74 -0.74 -0.83 116.66 112.55 3guo n ARG 96 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3guo n ARG 96 Cb 0.23 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3guo n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3guo n ALA 98 N 1.02 0.00 -0.15 7.54 0.00 -1.02 -0.63 120.51 127.26 3guo n ALA 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3guo n ALA 98 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 3guo n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3guo h ALA 99 N 0.00 0.57 -0.46 0.00 0.00 -1.28 0.62 119.26 118.71 3guo h ALA 99 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3guo h ALA 99 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3guo h ALA 99 CO 0.00 0.26 0.27 0.82 0.00 0.00 0.00 179.25 180.59 3guo h ILE 100 N 0.56 1.15 -0.39 0.00 2.04 -1.14 -2.68 117.51 117.05 3guo h ILE 100 Ca 0.13 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3guo h ILE 100 Cb 0.33 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3guo h ILE 100 CO 0.00 0.16 0.22 -1.13 0.00 0.00 0.00 178.15 177.40 3guo h ASN 101 N 0.61 0.34 -0.84 1.72 -0.73 -1.77 0.09 115.58 115.02 3guo h ASN 101 Ca 0.16 0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.38 3guo h ASN 101 Cb 0.02 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 38.50 3guo h ASN 101 CO -0.03 0.25 0.54 -0.08 -0.37 0.00 0.00 177.43 177.73 3guo h GLU 102 N 0.44 1.00 -0.35 6.67 4.81 -0.74 -2.03 114.58 124.39 3guo h GLU 102 Ca 0.16 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3guo h GLU 102 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3guo h GLU 102 CO -0.08 0.66 -0.20 0.28 -0.73 0.00 0.00 179.01 178.94 3guo h VAL 103 N 1.03 1.29 -1.00 0.32 2.07 -1.21 -0.64 116.25 118.12 3guo h VAL 103 Ca 0.34 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3guo h VAL 103 Cb 0.03 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 3guo h VAL 103 CO -0.12 0.44 0.63 0.15 0.02 0.00 0.00 177.57 178.68 3guo h PHE 104 N 0.52 1.15 0.03 1.57 3.04 -0.62 0.30 116.94 122.94 3guo h PHE 104 Ca 0.07 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 3guo h PHE 104 Cb 0.75 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.89 3guo h PHE 104 CO 0.06 0.51 -0.24 1.96 -2.02 0.00 0.00 178.31 178.59 3guo h GLN 105 N 1.06 0.07 -0.23 1.11 4.20 -1.36 -3.40 115.11 116.56 3guo h GLN 105 Ca 0.47 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3guo h GLN 105 Cb 0.36 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3guo h GLN 105 CO -0.23 1.06 0.00 -1.33 -0.67 0.00 0.00 178.83 177.66 3guo n MET 106 N -4.49 1.90 -0.86 1.46 2.81 -0.25 -5.09 117.12 112.60 3guo n MET 106 Ca -0.12 -1.78 0.06 0.00 -1.81 0.00 0.00 57.70 54.05 3guo n MET 106 Cb 0.57 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.73 3guo n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3guo n GLY 107 N 0.82 -3.27 0.19 3.03 0.00 0.10 -3.73 105.19 102.32 3guo n GLY 107 Ca 0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 3guo n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3guo h VAL 108 N -0.42 0.92 -0.06 1.61 2.07 -1.94 -2.48 116.25 115.95 3guo h VAL 108 Ca -0.07 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3guo h VAL 108 Cb 0.69 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3guo h VAL 108 CO 0.02 0.07 0.04 0.74 0.02 0.00 0.00 177.57 178.47 3guo h THR 109 N 0.40 1.03 0.08 2.57 2.02 -1.97 -0.31 112.91 116.73 3guo h THR 109 Ca 0.21 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3guo h THR 109 Cb 0.16 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3guo h THR 109 CO -0.17 0.03 -0.08 1.23 0.37 0.00 0.00 175.52 176.90 3guo h GLY 110 N 0.06 -0.16 0.73 2.16 0.00 -1.61 -2.85 103.07 101.41 3guo h GLY 110 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.47 3guo h GLY 110 CO -0.00 -0.08 -0.04 -2.08 0.00 0.00 0.00 176.54 174.33 3guo h VAL 111 N -0.18 0.85 -0.10 4.60 2.07 -1.25 -2.56 116.25 119.69 3guo h VAL 111 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3guo h VAL 111 Cb 0.17 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3guo h VAL 111 CO -0.02 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.71 3guo h ALA 112 N 1.10 1.62 0.00 1.67 0.00 -0.95 -2.33 119.26 120.37 3guo h ALA 112 Ca 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3guo h ALA 112 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3guo h ALA 112 CO -0.14 -0.19 -0.18 0.78 0.00 0.00 0.00 179.25 179.52 3guo h GLY 113 N 0.00 0.00 -6.23 0.00 0.00 -1.22 -3.35 103.07 92.27 3guo h GLY 113 Ca 0.05 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.72 3guo h GLY 113 CO -0.00 0.00 2.64 0.69 0.00 0.00 0.00 176.54 179.87 3guo n PHE 114 N -3.26 2.43 -0.16 5.60 3.01 -0.88 -4.78 117.46 119.43 3guo n PHE 114 Ca 0.01 -2.25 -0.05 0.00 1.01 0.00 0.00 57.45 56.18 3guo n PHE 114 Cb 0.46 -2.01 0.05 0.00 -0.01 0.00 0.00 39.48 37.97 3guo n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3guo h THR 115 N 4.23 0.94 0.02 4.37 2.02 -1.84 -2.48 112.91 120.17 3guo h THR 115 Ca 0.49 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 67.32 3guo h THR 115 Cb 0.62 0.45 0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3guo h THR 115 CO 1.91 0.08 -0.76 0.78 0.37 0.00 0.00 175.52 177.90 3guo h ASN 116 N 0.45 0.65 -0.64 4.18 4.21 -1.95 -2.81 115.58 119.67 3guo h ASN 116 Ca 0.21 -0.77 0.13 0.00 1.21 0.00 0.00 56.30 57.09 3guo h ASN 116 Cb 0.14 -0.20 -0.11 0.00 -1.12 0.00 0.00 38.32 37.03 3guo h ASN 116 CO -0.16 1.34 -0.07 0.58 -1.29 0.00 0.00 177.43 177.82 3guo h VAL 117 N 0.03 0.42 -0.78 2.81 2.07 -1.95 0.59 116.25 119.44 3guo h VAL 117 Ca -0.10 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.53 3guo h VAL 117 Cb 1.47 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 3guo h VAL 117 CO 0.15 0.01 0.36 -0.07 0.02 0.00 0.00 177.57 178.04 3guo h LEU 118 N 0.06 0.41 -0.35 2.57 3.38 -1.39 0.68 115.31 120.66 3guo h LEU 118 Ca 0.33 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.21 3guo h LEU 118 Cb 0.52 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3guo h LEU 118 CO -0.60 0.18 -0.45 -0.09 0.09 0.00 0.00 178.44 177.57 3guo h ARG 119 N 0.54 0.92 -0.74 1.13 2.43 -0.99 -0.80 114.38 116.88 3guo h ARG 119 Ca 0.41 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3guo h ARG 119 Cb 0.57 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 3guo h ARG 119 CO -0.36 1.17 0.49 0.52 -1.51 0.00 0.00 179.97 180.29 3guo h MET 120 N 0.73 0.97 -0.44 0.20 2.86 -0.59 -0.91 114.93 117.74 3guo h MET 120 Ca 0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3guo h MET 120 Cb 1.06 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3guo h MET 120 CO 0.11 0.64 0.25 -0.07 1.06 0.00 0.00 176.91 178.90 3guo h LEU 121 N 1.00 0.54 -1.02 1.22 3.38 -0.80 0.80 115.31 120.43 3guo h LEU 121 Ca 0.27 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3guo h LEU 121 Cb -0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3guo h LEU 121 CO -0.06 0.47 0.06 -0.61 0.09 0.00 0.00 178.44 178.38 3guo h GLN 122 N 0.58 0.76 -0.03 1.13 4.15 -0.86 -1.81 115.11 119.03 3guo h GLN 122 Ca 0.16 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3guo h GLN 122 Cb 0.04 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3guo h GLN 122 CO -0.03 0.73 0.00 1.04 -1.93 0.00 0.00 178.83 178.65 3guo n GLN 123 N -4.25 1.29 -3.00 1.69 6.02 -0.37 -4.91 117.38 113.85 3guo n GLN 123 Ca 0.03 -0.43 -0.14 0.00 -0.01 0.00 0.00 57.00 56.45 3guo n GLN 123 Cb 0.26 -1.43 0.04 0.00 1.02 0.00 0.00 30.24 30.13 3guo n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3guo n LYS 124 N -0.43 -4.16 -2.93 -1.09 5.02 -0.68 -4.94 118.16 108.95 3guo n LYS 124 Ca 0.19 0.53 -0.44 0.00 -2.02 0.00 0.00 58.31 56.58 3guo n LYS 124 Cb 0.20 -4.63 0.01 0.00 -0.02 0.00 0.00 35.03 30.59 3guo n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3guo n ARG 125 N -3.07 3.92 -0.13 1.97 1.74 0.27 -4.84 116.66 116.52 3guo n ARG 125 Ca -0.02 -4.21 -0.11 0.00 -0.77 0.00 0.00 57.85 52.73 3guo n ARG 125 Cb 0.55 -2.68 -0.02 0.00 -1.02 0.00 0.00 32.46 29.29 3guo n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3guo h TRP 126 N 6.02 0.83 -0.64 -1.55 -0.00 -1.88 -2.18 115.95 116.55 3guo h TRP 126 Ca 0.25 -0.19 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 3guo h TRP 126 Cb 0.71 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 29.64 3guo h TRP 126 CO 1.02 0.89 0.42 -0.44 -0.00 0.00 0.00 178.44 180.32 3guo h ASP 127 N 0.53 0.74 -0.09 -3.49 5.19 -1.88 -2.31 116.42 115.11 3guo h ASP 127 Ca 0.09 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 3guo h ASP 127 Cb 0.64 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 3guo h ASP 127 CO 0.04 0.54 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.26 3guo h GLU 128 N 0.86 0.23 -0.43 3.56 5.08 -1.91 -2.18 114.58 119.78 3guo h GLU 128 Ca 0.23 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3guo h GLU 128 Cb -0.09 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 3guo h GLU 128 CO -0.05 0.67 -0.11 0.00 -1.00 0.00 0.00 179.01 178.52 3guo h ALA 129 N 0.55 0.28 -0.75 3.43 0.00 -1.41 0.19 119.26 121.55 3guo h ALA 129 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3guo h ALA 129 Cb 0.64 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3guo h ALA 129 CO 0.03 -0.45 0.41 0.00 0.00 0.00 0.00 179.25 179.23 3guo h ALA 130 N 1.42 0.96 -0.69 0.00 0.00 -1.38 0.43 119.26 120.01 3guo h ALA 130 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3guo h ALA 130 Cb 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3guo h ALA 130 CO -0.45 0.47 0.39 0.28 0.00 0.00 0.00 179.25 179.94 3guo h VAL 131 N 1.03 1.21 0.00 0.00 2.07 -0.90 -0.11 116.25 119.55 3guo h VAL 131 Ca 0.26 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3guo h VAL 131 Cb 0.04 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3guo h VAL 131 CO -0.04 0.23 -0.71 0.78 0.02 0.00 0.00 177.57 177.85 3guo h ASN 132 N 0.95 0.00 0.16 0.57 2.35 0.40 -2.91 115.58 117.10 3guo h ASN 132 Ca 0.24 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.80 3guo h ASN 132 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3guo h ASN 132 CO -0.04 0.71 -0.75 -0.07 -1.65 0.00 0.00 177.43 175.63 3guo h LEU 133 N 0.00 0.60 0.00 1.61 3.38 -0.15 -3.08 115.31 117.68 3guo h LEU 133 Ca -0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3guo h LEU 133 Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3guo h LEU 133 CO 0.09 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.77 3guo n ALA 134 N -2.54 1.72 -0.08 1.53 0.00 -0.06 -2.42 120.51 118.66 3guo n ALA 134 Ca -0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 3guo n ALA 134 Cb 0.72 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 3guo n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3guo n LYS 135 N -1.27 0.68 -1.12 0.00 5.02 -1.15 -4.70 118.16 115.61 3guo n LYS 135 Ca 0.06 0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 3guo n LYS 135 Cb 0.09 -1.60 0.09 0.00 -0.02 0.00 0.00 35.03 33.59 3guo n LYS 135 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3guo n SER 136 N -2.99 -1.15 -0.21 4.39 3.41 -1.02 -4.67 113.62 111.39 3guo n SER 136 Ca -0.32 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 58.80 3guo n SER 136 Cb 1.09 -1.25 0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3guo n SER 136 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3guo h ARG 137 N -0.76 -0.03 -0.85 4.33 2.43 -1.95 -1.94 114.38 115.61 3guo h ARG 137 Ca -0.45 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 58.86 3guo h ARG 137 Cb 1.32 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.73 3guo h ARG 137 CO 0.41 -0.02 -0.35 2.35 -1.51 0.00 0.00 179.97 180.85 3guo h TRP 138 N -0.03 -0.97 0.17 2.20 7.01 -1.91 0.32 115.95 122.76 3guo h TRP 138 Ca 0.29 0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.38 3guo h TRP 138 Cb 0.48 0.55 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 3guo h TRP 138 CO -0.53 -0.40 -0.08 -0.92 -2.79 0.00 0.00 178.44 173.72 3guo h TYR 139 N -0.05 -0.22 -0.77 2.65 3.20 -1.57 0.40 116.97 120.62 3guo h TYR 139 Ca 0.32 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3guo h TYR 139 Cb 0.59 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 3guo h TYR 139 CO -0.78 0.05 0.42 -0.91 -1.64 0.00 0.00 178.16 175.30 3guo h ASN 140 N -0.47 0.95 0.54 -2.11 2.35 -1.17 -2.33 115.58 113.34 3guo h ASN 140 Ca -0.02 -0.08 -0.29 0.00 -0.55 0.00 0.00 56.30 55.36 3guo h ASN 140 Cb 0.36 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.51 3guo h ASN 140 CO 0.04 0.76 -1.29 1.56 -1.65 0.00 0.00 177.43 176.85 3guo h GLN 141 N 1.07 0.34 -1.97 0.81 1.08 -0.36 -3.40 115.11 112.67 3guo h GLN 141 Ca 0.27 -0.57 -0.54 0.00 -1.45 0.00 0.00 58.65 56.36 3guo h GLN 141 Cb 0.03 0.21 -0.41 0.00 -0.05 0.00 0.00 27.48 27.26 3guo h GLN 141 CO -0.04 1.27 -0.84 0.00 -0.95 0.00 0.00 178.83 178.26 3guo h PRO 143 N 2.92 0.06 0.00 0.00 0.11 -1.60 -1.57 132.00 131.91 3guo h PRO 143 Ca 0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3guo h PRO 143 Cb 0.75 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3guo h PRO 143 CO 0.72 0.55 -1.21 -0.44 -0.21 0.00 0.00 178.00 177.40 3guo h ASP 144 N 0.05 0.00 1.68 -2.05 3.32 -1.93 -1.75 116.42 115.74 3guo h ASP 144 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3guo h ASP 144 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3guo h ASP 144 CO 0.07 0.42 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.91 3guo h ARG 145 N 0.00 0.00 0.00 3.56 2.43 -1.74 -3.38 114.38 115.25 3guo h ARG 145 Ca -0.11 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.84 3guo h ARG 145 Cb 1.42 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.93 3guo h ARG 145 CO 0.04 0.00 -1.85 0.00 -1.51 0.00 0.00 179.97 176.65 3guo n ALA 146 N -1.91 1.69 -0.25 2.80 0.00 -0.63 -4.72 120.51 117.49 3guo n ALA 146 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 53.44 52.78 3guo n ALA 146 Cb 0.47 0.06 0.13 0.00 0.00 0.00 0.00 19.45 20.10 3guo n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3guo h LYS 147 N 0.00 0.06 -0.08 0.00 2.10 -1.49 -1.63 116.57 115.53 3guo h LYS 147 Ca -0.33 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.18 3guo h LYS 147 Cb 1.66 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.96 3guo h LYS 147 CO -0.01 0.04 -0.56 0.00 -2.00 0.00 0.00 179.45 176.92 3guo h ARG 148 N 0.06 0.23 -0.04 0.07 3.08 -1.86 -0.87 114.38 115.05 3guo h ARG 148 Ca 0.38 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3guo h ARG 148 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3guo h ARG 148 CO -0.68 0.73 0.01 0.28 -1.07 0.00 0.00 179.97 179.24 3guo h VAL 149 N 0.17 1.20 -0.48 2.04 2.07 -1.62 -0.77 116.25 118.87 3guo h VAL 149 Ca -0.00 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3guo h VAL 149 Cb 1.04 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3guo h VAL 149 CO 0.09 0.16 0.23 0.40 0.02 0.00 0.00 177.57 178.46 3guo h ILE 150 N -0.17 1.19 -0.54 4.57 2.04 -1.23 -1.30 117.51 122.07 3guo h ILE 150 Ca 0.01 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3guo h ILE 150 Cb 0.25 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3guo h ILE 150 CO 0.00 0.21 0.25 0.74 0.00 0.00 0.00 178.15 179.35 3guo h THR 151 N 0.63 1.19 -0.53 -0.27 2.02 -1.12 -2.43 112.91 112.40 3guo h THR 151 Ca 0.16 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3guo h THR 151 Cb 0.12 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3guo h THR 151 CO -0.02 0.22 0.05 0.74 0.37 0.00 0.00 175.52 176.88 3guo h THR 152 N 0.77 1.24 -0.51 3.16 2.02 -0.29 -2.30 112.91 117.00 3guo h THR 152 Ca 0.19 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 3guo h THR 152 Cb 0.10 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3guo h THR 152 CO -0.02 0.35 0.07 -0.26 0.37 0.00 0.00 175.52 176.02 3guo h PHE 153 N 0.81 0.86 -0.29 3.16 0.04 -0.86 0.66 116.94 121.32 3guo h PHE 153 Ca 0.16 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3guo h PHE 153 Cb 0.41 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3guo h PHE 153 CO 0.02 0.75 0.02 -0.09 -0.60 0.00 0.00 178.31 178.42 3guo h ARG 154 N 0.78 0.50 0.00 1.51 2.43 -1.02 -3.39 114.38 115.18 3guo h ARG 154 Ca 0.16 -0.15 -0.38 0.00 -0.81 0.00 0.00 59.98 58.81 3guo h ARG 154 Cb 0.37 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3guo h ARG 154 CO 0.01 0.62 -2.42 0.25 -1.51 0.00 0.00 179.97 176.93 3guo n THR 155 N -4.61 1.43 -1.14 0.20 -2.24 -0.90 -4.73 114.28 102.28 3guo n THR 155 Ca -0.03 -0.76 -0.05 0.00 -2.27 0.00 0.00 64.05 60.94 3guo n THR 155 Cb 0.23 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 3guo n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3guo n GLY 156 N 1.92 0.76 3.70 3.38 0.00 0.22 -5.02 105.19 110.16 3guo n GLY 156 Ca -0.37 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 3guo n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3guo s THR 157 N -2.15 1.97 -2.39 2.61 -4.23 -1.26 -4.73 115.64 105.45 3guo s THR 157 Ca 0.00 -1.86 0.24 0.00 -1.18 0.00 0.00 61.69 58.90 3guo s THR 157 Cb 0.00 -2.83 0.50 0.00 1.34 0.00 0.00 72.50 71.51 3guo s THR 157 CO 0.00 0.00 1.64 0.79 -0.54 0.00 0.00 174.62 176.51 3guo n TRP 158 N -1.16 0.11 0.09 3.99 7.02 -1.26 -4.59 117.44 121.64 3guo n TRP 158 Ca -0.05 -0.05 0.20 0.00 -1.02 0.00 0.00 57.50 56.57 3guo n TRP 158 Cb 0.66 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 30.30 3guo n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3guo h ASP 159 N 2.33 0.00 0.68 -0.99 3.32 -1.97 -0.73 116.42 119.05 3guo h ASP 159 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3guo h ASP 159 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3guo h ASP 159 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3guo h ALA 160 N 1.63 1.00 -0.12 3.45 0.00 -1.91 -2.94 119.26 120.37 3guo h ALA 160 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3guo h ALA 160 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3guo h ALA 160 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3guo n TYR 161 N -2.93 0.14 1.49 0.00 4.02 -0.28 -4.96 117.16 114.64 3guo n TYR 161 Ca -0.00 -0.11 0.14 0.00 -0.01 0.00 0.00 57.90 57.92 3guo n TYR 161 Cb 0.22 -0.00 0.52 0.00 -0.02 0.00 0.00 39.34 40.06 3guo n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02