#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyo h GLN 2 N 0.00 1.13 -0.51 1.96 5.75 -2.05 0.33 115.11 121.72 1jyo h GLN 2 Ca 0.00 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1jyo h GLN 2 Cb 0.00 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 1jyo h GLN 2 CO 0.00 0.75 0.23 0.00 -2.65 0.00 0.00 178.83 177.15 1jyo h ALA 3 N 1.38 0.66 -0.51 3.38 0.00 -2.04 -1.77 119.26 120.36 1jyo h ALA 3 Ca 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jyo h ALA 3 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jyo h ALA 3 CO -0.12 0.24 0.31 0.45 0.00 0.00 0.00 179.25 180.14 1jyo h HIS 4 N 0.68 0.66 -0.54 0.00 3.86 -1.75 -1.86 115.15 116.20 1jyo h HIS 4 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1jyo h HIS 4 Cb 0.15 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1jyo h HIS 4 CO -0.00 0.45 0.28 1.96 0.86 0.00 0.00 177.93 181.47 1jyo h GLN 5 N 0.68 0.74 -0.23 2.45 1.08 -0.70 -0.79 115.11 118.34 1jyo h GLN 5 Ca 0.18 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1jyo h GLN 5 Cb -0.03 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1jyo h GLN 5 CO -0.04 0.56 -0.16 -0.44 -0.95 0.00 0.00 178.83 177.80 1jyo h ASP 6 N 0.75 0.54 -0.20 1.46 3.32 -0.88 -1.67 116.42 119.73 1jyo h ASP 6 Ca 0.19 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1jyo h ASP 6 Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1jyo h ASP 6 CO -0.03 0.87 0.12 0.40 -1.72 0.00 0.00 179.24 178.88 1jyo h ILE 7 N 0.22 1.09 -0.02 0.35 2.04 -1.01 -1.86 117.51 118.31 1jyo h ILE 7 Ca 0.04 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1jyo h ILE 7 Cb 0.69 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1jyo h ILE 7 CO 0.04 0.08 -0.25 -0.29 0.00 0.00 0.00 178.15 177.73 1jyo h ILE 8 N 0.24 1.19 -0.34 -0.67 6.09 -1.15 -2.44 117.51 120.43 1jyo h ILE 8 Ca 0.07 -0.92 -0.12 0.00 -1.37 0.00 0.00 64.86 62.52 1jyo h ILE 8 Cb 0.03 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 1jyo h ILE 8 CO -0.01 0.27 -0.26 0.00 -3.07 0.00 0.00 178.15 175.07 1jyo h ALA 9 N 1.71 0.49 -0.89 0.18 0.00 -0.92 -2.19 119.26 117.64 1jyo h ALA 9 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1jyo h ALA 9 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1jyo h ALA 9 CO 0.03 0.49 0.54 -0.91 0.00 0.00 0.00 179.25 179.40 1jyo h ASN 10 N 0.56 1.06 -0.28 0.00 -0.26 -1.01 -1.80 115.58 113.85 1jyo h ASN 10 Ca 0.06 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1jyo h ASN 10 Cb 0.83 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 1jyo h ASN 10 CO 0.07 0.81 -0.12 0.40 -1.06 0.00 0.00 177.43 177.53 1jyo h ILE 11 N 1.22 1.25 -0.84 2.81 2.04 -1.32 -2.95 117.51 119.73 1jyo h ILE 11 Ca 0.32 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1jyo h ILE 11 Cb -0.06 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1jyo h ILE 11 CO -0.06 0.38 0.44 1.23 0.00 0.00 0.00 178.15 180.15 1jyo h GLY 12 N 0.97 1.26 1.33 5.37 0.00 -0.68 -1.07 103.07 110.24 1jyo h GLY 12 Ca 0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1jyo h GLY 12 CO 0.04 0.55 -0.09 0.83 0.00 0.00 0.00 176.54 177.87 1jyo h GLU 13 N 1.18 0.80 -0.62 4.80 5.08 -1.32 0.90 114.58 125.40 1jyo h GLU 13 Ca 0.29 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1jyo h GLU 13 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1jyo h GLU 13 CO -0.04 0.86 0.01 0.87 -1.00 0.00 0.00 179.01 179.71 1jyo h LYS 14 N 0.73 1.07 0.00 2.33 1.79 -1.28 -3.06 116.57 118.15 1jyo h LYS 14 Ca 0.13 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1jyo h LYS 14 Cb 0.57 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1jyo h LYS 14 CO 0.03 1.04 -0.63 1.28 -1.08 0.00 0.00 179.45 180.09 1jyo n LEU 15 N -4.18 0.68 -0.38 2.94 4.77 -0.45 -4.99 117.00 115.39 1jyo n LEU 15 Ca 0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1jyo n LEU 15 Cb 0.34 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1jyo n LEU 15 CO 0.44 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1jyo n GLY 16 N 1.35 0.95 3.52 -0.72 0.00 0.29 -5.06 105.19 105.52 1jyo n GLY 16 Ca 0.03 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1jyo n GLY 16 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jyo s LEU 17 N -0.76 -0.64 -1.15 0.99 0.05 0.18 -5.01 118.68 112.34 1jyo s LEU 17 Ca 0.00 0.70 -0.15 0.00 0.05 0.00 0.00 54.13 54.73 1jyo s LEU 17 Cb 0.00 2.50 -0.06 0.00 -2.05 0.00 0.00 46.19 46.58 1jyo s LEU 17 CO 0.00 -0.60 2.19 -0.81 -0.55 0.00 0.00 176.35 176.59 1jyo n PRO 18 N 0.89 2.35 -1.98 1.48 -0.04 -1.26 -4.11 135.00 132.33 1jyo n PRO 18 Ca -0.18 -2.11 -0.35 0.00 -0.04 0.00 0.00 63.50 60.82 1jyo n PRO 18 Cb 0.57 -2.97 0.03 0.00 -0.04 0.00 0.00 33.50 31.09 1jyo n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jyo s LEU 19 N 1.26 3.58 -0.08 1.53 1.43 -1.26 -5.03 118.68 120.10 1jyo s LEU 19 Ca 0.53 2.18 -0.32 0.00 -1.03 0.00 0.00 54.13 55.49 1jyo s LEU 19 Cb 0.14 -4.58 0.12 0.00 0.03 0.00 0.00 46.19 41.91 1jyo s LEU 19 CO -0.00 -1.52 1.18 0.28 0.23 0.00 0.00 176.35 176.52 1jyo s THR 20 N -1.93 0.00 -0.03 5.49 -1.32 -1.26 -4.33 115.64 112.25 1jyo s THR 20 Ca 0.72 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.99 1jyo s THR 20 Cb -0.25 -1.41 -0.05 0.00 -1.51 0.00 0.00 72.50 69.29 1jyo s THR 20 CO 0.34 0.00 0.26 -0.36 -2.21 0.00 0.00 174.62 172.66 1jyo s PHE 21 N -2.57 3.62 0.00 9.09 0.40 -1.26 -4.49 117.98 122.77 1jyo s PHE 21 Ca 0.11 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1jyo s PHE 21 Cb 0.01 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1jyo s PHE 21 CO -0.04 0.66 0.00 -0.40 0.70 0.00 0.00 175.22 176.14 1jyo n ASP 22 N 1.55 0.00 0.14 1.36 5.68 0.22 -4.89 116.55 120.61 1jyo n ASP 22 Ca -0.15 -0.69 0.12 0.00 -0.50 0.00 0.00 54.79 53.58 1jyo n ASP 22 Cb 0.53 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.03 1jyo n ASP 22 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jyo n ASP 23 N -2.06 0.67 -1.15 -1.12 8.00 -1.26 -1.51 116.55 118.12 1jyo n ASP 23 Ca 0.00 0.69 0.11 0.00 0.71 0.00 0.00 54.79 56.30 1jyo n ASP 23 Cb 0.00 -0.82 0.27 0.00 -0.02 0.00 0.00 41.12 40.55 1jyo n ASP 23 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jyo n ASN 24 N -2.27 3.39 -1.33 -2.24 3.02 -1.26 -4.90 115.26 109.67 1jyo n ASN 24 Ca 0.01 -1.98 -0.15 0.00 -0.03 0.00 0.00 54.58 52.44 1jyo n ASN 24 Cb 0.20 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1jyo n ASN 24 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jyo n ASN 25 N 1.39 -4.66 -4.64 6.41 3.02 -0.57 -4.94 115.26 111.27 1jyo n ASN 25 Ca 0.21 0.22 -0.23 0.00 -0.03 0.00 0.00 54.58 54.75 1jyo n ASN 25 Cb 0.56 -3.59 -0.07 0.00 -0.61 0.00 0.00 39.78 36.07 1jyo n ASN 25 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyo s GLN 26 N -3.80 2.24 -0.32 3.52 -1.52 -1.26 -1.43 119.66 117.10 1jyo s GLN 26 Ca 0.00 -1.47 -0.01 0.00 -1.95 0.00 0.00 55.36 51.93 1jyo s GLN 26 Cb 0.00 -2.12 0.13 0.00 -0.22 0.00 0.00 33.01 30.80 1jyo s GLN 26 CO 0.00 0.33 0.22 0.00 -0.25 0.00 0.00 175.29 175.60 1jyo s LEU 28 N 1.78 4.52 0.07 0.00 2.01 -1.26 -1.93 118.68 123.87 1jyo s LEU 28 Ca 0.13 2.17 0.02 0.00 0.01 0.00 0.00 54.13 56.46 1jyo s LEU 28 Cb -0.17 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 42.38 1jyo s LEU 28 CO -0.21 -0.19 -0.08 -0.76 1.01 0.00 0.00 176.35 176.12 1jyo s LEU 29 N -0.80 2.38 -0.07 1.79 1.43 0.11 -5.00 118.68 118.53 1jyo s LEU 29 Ca 0.47 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1jyo s LEU 29 Cb -0.31 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 45.76 1jyo s LEU 29 CO 0.37 -0.31 -0.13 -0.22 0.23 0.00 0.00 176.35 176.29 1jyo s LEU 30 N -2.29 1.67 -0.11 1.79 2.96 -1.26 -1.51 118.68 119.94 1jyo s LEU 30 Ca 0.01 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1jyo s LEU 30 Cb -0.03 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 1jyo s LEU 30 CO -0.02 0.04 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.20 1jyo s LEU 31 N 0.66 2.94 0.00 -0.68 1.02 0.47 -4.98 118.68 118.12 1jyo s LEU 31 Ca -0.14 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 53.81 1jyo s LEU 31 Cb -0.16 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.39 1jyo s LEU 31 CO 0.04 0.24 0.00 -0.90 0.02 0.00 0.00 176.35 175.75 1jyo n ASP 32 N 3.03 0.00 -0.00 2.29 5.68 -1.26 -2.57 116.55 123.72 1jyo n ASP 32 Ca -0.18 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.15 1jyo n ASP 32 Cb 0.53 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1jyo n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jyo n SER 33 N 4.81 3.38 -0.80 -1.12 3.41 -1.26 -4.83 113.62 117.20 1jyo n SER 33 Ca 0.00 -0.02 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 1jyo n SER 33 Cb 0.00 1.30 0.03 0.00 -0.26 0.00 0.00 64.21 65.28 1jyo n SER 33 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jyo n ASP 34 N -1.72 0.59 -4.17 4.04 5.75 -1.22 -5.03 116.55 114.80 1jyo n ASP 34 Ca -0.01 -2.17 -0.35 0.00 -0.01 0.00 0.00 54.79 52.24 1jyo n ASP 34 Cb 0.17 -0.27 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 1jyo n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jyo s ILE 35 N -0.37 3.12 -0.23 2.12 1.01 -1.06 -5.01 121.20 120.78 1jyo s ILE 35 Ca 0.15 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 1jyo s ILE 35 Cb 0.17 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1jyo s ILE 35 CO -0.06 -0.26 0.19 -0.36 0.00 0.00 0.00 174.94 174.46 1jyo s PHE 36 N 1.23 3.34 0.08 3.97 0.40 -1.26 -0.40 117.98 125.35 1jyo s PHE 36 Ca -0.01 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1jyo s PHE 36 Cb -0.20 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 1jyo s PHE 36 CO -0.02 0.09 -0.11 0.99 0.70 0.00 0.00 175.22 176.87 1jyo s THR 37 N 0.98 0.96 -0.01 0.64 2.01 -0.57 -1.75 115.64 117.90 1jyo s THR 37 Ca 0.09 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1jyo s THR 37 Cb -0.13 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1jyo s THR 37 CO 0.04 -0.43 0.01 -0.55 -0.69 0.00 0.00 174.62 173.00 1jyo s SER 38 N -2.13 0.06 -0.21 3.53 0.15 0.01 0.10 113.70 115.20 1jyo s SER 38 Ca 0.01 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 1jyo s SER 38 Cb -0.06 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1jyo s SER 38 CO 0.01 -0.05 0.07 -0.63 1.20 0.00 0.00 173.24 173.84 1jyo s ILE 39 N 0.47 4.66 -0.10 6.45 1.01 -0.81 -0.50 121.20 132.38 1jyo s ILE 39 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1jyo s ILE 39 Cb -0.06 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1jyo s ILE 39 CO -0.01 0.40 -0.20 -0.70 0.00 0.00 0.00 174.94 174.43 1jyo s GLU 40 N 0.87 2.67 -0.18 2.79 2.12 0.54 -1.17 118.70 126.34 1jyo s GLU 40 Ca 0.04 -0.74 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 1jyo s GLU 40 Cb -0.14 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 1jyo s GLU 40 CO 0.03 0.07 0.78 0.00 -0.54 0.00 0.00 175.26 175.59 1jyo s ALA 41 N 0.62 3.53 -0.33 6.30 0.00 -0.52 -0.37 121.76 131.00 1jyo s ALA 41 Ca -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1jyo s ALA 41 Cb -0.16 -3.16 0.13 0.00 0.00 0.00 0.00 23.12 19.92 1jyo s ALA 41 CO 0.04 -0.63 0.21 0.21 0.00 0.00 0.00 175.76 175.59 1jyo s LYS 42 N 2.11 0.44 7.05 0.00 2.20 0.08 -4.90 119.74 126.72 1jyo s LYS 42 Ca 0.36 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1jyo s LYS 42 Cb -0.16 -1.14 0.00 0.00 -1.51 0.00 0.00 37.83 35.02 1jyo s LYS 42 CO 0.12 -1.14 0.00 -0.25 -0.36 0.00 0.00 175.35 173.72 1jyo n ASP 43 N 4.51 0.00 -0.04 1.43 8.00 -1.26 -1.66 116.55 127.54 1jyo n ASP 43 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1jyo n ASP 43 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1jyo n ASP 43 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jyo n ASP 44 N 3.58 0.03 -4.05 -2.24 5.75 -1.26 -4.89 116.55 113.47 1jyo n ASP 44 Ca 0.00 -0.89 -0.13 0.00 -0.01 0.00 0.00 54.79 53.76 1jyo n ASP 44 Cb 0.00 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1jyo n ASP 44 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1jyo s ILE 45 N -1.93 0.00 -0.01 2.12 -4.36 -0.66 -4.91 121.20 111.45 1jyo s ILE 45 Ca 0.00 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 1jyo s ILE 45 Cb 0.00 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1jyo s ILE 45 CO 0.00 0.00 -0.25 0.26 0.24 0.00 0.00 174.94 175.19 1jyo s TRP 46 N -4.03 2.19 -0.08 1.37 0.52 -0.96 -0.74 118.94 117.22 1jyo s TRP 46 Ca 0.39 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.12 1jyo s TRP 46 Cb 0.06 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1jyo s TRP 46 CO 0.15 -0.02 -0.12 -0.51 0.02 0.00 0.00 176.95 176.47 1jyo s LEU 47 N -0.66 2.82 -0.22 2.99 1.43 0.50 0.35 118.68 125.89 1jyo s LEU 47 Ca 0.10 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1jyo s LEU 47 Cb -0.09 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1jyo s LEU 47 CO -0.01 0.30 0.08 -0.76 0.23 0.00 0.00 176.35 176.19 1jyo s LEU 48 N -0.45 3.68 -0.12 1.79 1.43 0.77 -0.34 118.68 125.45 1jyo s LEU 48 Ca 0.06 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1jyo s LEU 48 Cb -0.12 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1jyo s LEU 48 CO 0.02 0.07 -0.09 0.20 0.23 0.00 0.00 176.35 176.78 1jyo s ASN 49 N 1.00 4.38 -0.08 2.29 0.01 0.35 -1.60 114.94 121.29 1jyo s ASN 49 Ca 0.04 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1jyo s ASN 49 Cb -0.14 -1.48 0.03 0.00 0.41 0.00 0.00 41.25 40.06 1jyo s ASN 49 CO 0.03 0.23 -0.04 -0.83 -1.51 0.00 0.00 177.10 174.98 1jyo s GLY 50 N -0.02 0.62 0.10 0.66 0.00 0.68 -0.81 107.32 108.56 1jyo s GLY 50 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.10 1jyo s GLY 50 CO 0.03 0.88 1.57 -0.29 0.00 0.00 0.00 173.10 175.29 1jyo s MET 51 N 1.68 4.23 0.00 2.90 1.75 -0.72 -0.80 119.30 128.34 1jyo s MET 51 Ca 0.02 2.28 0.00 0.00 -1.25 0.00 0.00 55.69 56.74 1jyo s MET 51 Cb -0.13 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 34.15 1jyo s MET 51 CO -0.05 -0.63 0.00 -0.89 -0.65 0.00 0.00 175.02 172.79 1jyo n ILE 52 N 4.35 0.00 -3.58 10.11 2.08 -0.90 -4.67 119.36 126.74 1jyo n ILE 52 Ca 0.14 0.22 -0.17 0.00 0.56 0.00 0.00 62.75 63.51 1jyo n ILE 52 Cb 0.40 -1.17 -0.07 0.00 -0.75 0.00 0.00 39.64 38.06 1jyo n ILE 52 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1jyo s ILE 53 N -0.74 0.02 0.17 1.39 -4.36 -1.17 -4.84 121.20 111.66 1jyo s ILE 53 Ca 0.00 -0.13 -0.30 0.00 -0.26 0.00 0.00 60.65 59.96 1jyo s ILE 53 Cb 0.00 -0.90 -0.07 0.00 1.25 0.00 0.00 42.46 42.74 1jyo s ILE 53 CO 0.00 -0.07 1.05 -2.16 0.24 0.00 0.00 174.94 174.00 1jyo s PRO 54 N -1.27 4.65 -0.01 0.37 0.04 -1.26 -1.06 135.00 136.46 1jyo s PRO 54 Ca -0.11 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 1jyo s PRO 54 Cb -0.01 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1jyo s PRO 54 CO 0.08 0.15 0.02 -1.17 0.04 0.00 0.00 177.00 176.12 1jyo s LEU 55 N -0.38 1.88 0.26 -3.56 2.96 -0.10 -0.45 118.68 119.29 1jyo s LEU 55 Ca 0.48 0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.12 1jyo s LEU 55 Cb -0.28 0.05 -0.11 0.00 0.50 0.00 0.00 46.19 46.35 1jyo s LEU 55 CO 0.33 -0.01 1.58 -0.55 -1.32 0.00 0.00 176.35 176.38 1jyo s SER 56 N 0.09 6.45 0.22 3.68 0.15 -1.26 -4.49 113.70 118.54 1jyo s SER 56 Ca -0.01 2.85 0.21 0.00 0.70 0.00 0.00 55.95 59.70 1jyo s SER 56 Cb -0.01 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.60 1jyo s SER 56 CO -0.00 -0.87 1.64 -0.81 1.20 0.00 0.00 173.24 174.40 1jyo n PRO 57 N 2.60 0.15 -2.29 5.44 -0.04 -1.26 -2.37 135.00 137.23 1jyo n PRO 57 Ca 0.09 0.44 -0.21 0.00 -0.04 0.00 0.00 63.50 63.79 1jyo n PRO 57 Cb 0.38 -1.82 0.02 0.00 -0.04 0.00 0.00 33.50 32.03 1jyo n PRO 57 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jyo n VAL 58 N -2.11 2.23 0.24 0.52 0.24 -1.26 -4.84 118.33 113.35 1jyo n VAL 58 Ca 0.02 -4.19 0.11 0.00 -2.04 0.00 0.00 64.34 58.23 1jyo n VAL 58 Cb 0.18 -0.76 0.52 0.00 -1.47 0.00 0.00 33.84 32.31 1jyo n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jyo n GLY 60 N -0.83 2.32 0.20 0.00 0.00 -1.26 -4.58 105.19 101.03 1jyo n GLY 60 Ca -0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 1jyo n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jyo h ASP 61 N 0.00 -0.48 -0.66 1.61 3.32 -1.99 -2.42 116.42 115.81 1jyo h ASP 61 Ca 0.00 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.28 1jyo h ASP 61 Cb 0.00 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.74 1jyo h ASP 61 CO 0.00 -0.17 0.23 -1.28 -1.72 0.00 0.00 179.24 176.29 1jyo h SER 62 N -0.08 0.19 -0.09 6.45 0.87 -1.99 -0.04 113.55 118.86 1jyo h SER 62 Ca 0.17 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1jyo h SER 62 Cb 0.34 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1jyo h SER 62 CO -0.39 0.10 -0.36 0.40 -0.53 0.00 0.00 176.83 176.05 1jyo h ILE 63 N 0.39 1.40 -0.32 2.23 2.04 -1.75 -2.42 117.51 119.08 1jyo h ILE 63 Ca 0.34 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.50 1jyo h ILE 63 Cb 0.48 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1jyo h ILE 63 CO -0.36 0.50 0.17 -0.50 0.00 0.00 0.00 178.15 177.96 1jyo h TRP 64 N -0.04 0.32 -0.96 1.37 -0.00 -1.24 -1.94 115.95 113.45 1jyo h TRP 64 Ca -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1jyo h TRP 64 Cb 1.00 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.16 30.02 1jyo h TRP 64 CO 0.12 0.18 0.63 -0.09 -0.00 0.00 0.00 178.44 179.28 1jyo h ARG 65 N 0.35 1.27 -0.55 0.49 2.43 -1.05 -0.41 114.38 116.92 1jyo h ARG 65 Ca 0.13 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1jyo h ARG 65 Cb 0.03 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1jyo h ARG 65 CO -0.08 0.85 0.23 0.37 -1.51 0.00 0.00 179.97 179.83 1jyo h GLN 66 N 1.31 0.80 -0.57 0.20 4.15 -1.06 0.06 115.11 120.00 1jyo h GLN 66 Ca 0.35 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1jyo h GLN 66 Cb -0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1jyo h GLN 66 CO -0.08 0.69 0.10 0.82 -1.93 0.00 0.00 178.83 178.43 1jyo h ILE 67 N 0.74 1.25 -0.09 2.39 2.04 -0.84 -1.39 117.51 121.62 1jyo h ILE 67 Ca 0.18 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1jyo h ILE 67 Cb 0.17 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1jyo h ILE 67 CO -0.02 0.35 -0.33 0.24 0.00 0.00 0.00 178.15 178.40 1jyo h MET 68 N 0.84 0.16 -0.29 2.37 2.86 -0.81 -1.19 114.93 118.88 1jyo h MET 68 Ca 0.17 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1jyo h MET 68 Cb 0.40 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1jyo h MET 68 CO 0.01 0.48 -0.34 0.28 1.06 0.00 0.00 176.91 178.40 1jyo h VAL 69 N 0.15 1.30 -0.63 -2.22 2.07 -0.73 -2.82 116.25 113.36 1jyo h VAL 69 Ca 0.02 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1jyo h VAL 69 Cb 0.66 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1jyo h VAL 69 CO 0.05 0.49 0.41 0.40 0.02 0.00 0.00 177.57 178.94 1jyo h ILE 70 N 0.50 1.16 -0.26 4.57 2.04 -0.84 -0.97 117.51 123.71 1jyo h ILE 70 Ca 0.04 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1jyo h ILE 70 Cb 0.92 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1jyo h ILE 70 CO 0.08 0.16 0.18 0.78 0.00 0.00 0.00 178.15 179.35 1jyo h ASN 71 N 0.86 0.15 -0.32 1.72 2.35 -0.97 -0.94 115.58 118.42 1jyo h ASN 71 Ca 0.23 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1jyo h ASN 71 Cb -0.09 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1jyo h ASN 71 CO -0.05 0.10 0.11 1.23 -1.65 0.00 0.00 177.43 177.17 1jyo h GLY 72 N 0.17 0.53 0.96 2.83 0.00 -1.11 -1.07 103.07 105.39 1jyo h GLY 72 Ca 0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1jyo h GLY 72 CO -0.02 0.29 -0.01 0.83 0.00 0.00 0.00 176.54 177.62 1jyo h GLU 73 N 0.37 0.75 -0.14 4.80 5.08 -1.24 -2.16 114.58 122.04 1jyo h GLU 73 Ca 0.10 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1jyo h GLU 73 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jyo h GLU 73 CO -0.01 0.83 0.06 -0.07 -1.00 0.00 0.00 179.01 178.83 1jyo h LEU 74 N 0.58 0.18 -1.13 1.33 3.38 -1.14 -3.01 115.31 115.49 1jyo h LEU 74 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1jyo h LEU 74 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jyo h LEU 74 CO 0.02 0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.81 1jyo h ALA 75 N 0.93 1.29 -0.53 1.53 0.00 -1.19 -0.16 119.26 121.13 1jyo h ALA 75 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jyo h ALA 75 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jyo h ALA 75 CO -0.01 0.48 0.35 0.00 0.00 0.00 0.00 179.25 180.07 1jyo h ALA 76 N 1.43 1.80 -0.59 0.00 0.00 -1.26 -1.22 119.26 119.43 1jyo h ALA 76 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jyo h ALA 76 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jyo h ALA 76 CO 0.01 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1jyo n ASN 77 N -4.47 3.62 -4.00 0.00 3.02 -0.91 -4.97 115.26 107.55 1jyo n ASN 77 Ca 0.07 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.33 1jyo n ASN 77 Cb 0.19 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1jyo n ASN 77 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jyo n ASN 78 N 1.34 -2.56 0.03 6.41 4.05 -0.35 -4.86 115.26 119.31 1jyo n ASN 78 Ca 0.20 -0.92 0.12 0.00 0.45 0.00 0.00 54.58 54.43 1jyo n ASN 78 Cb 0.57 -3.31 0.11 0.00 1.23 0.00 0.00 39.78 38.37 1jyo n ASN 78 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1jyo n GLU 79 N -4.46 0.20 0.00 1.20 1.02 -0.22 -5.01 120.64 113.37 1jyo n GLU 79 Ca -0.10 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1jyo n GLU 79 Cb 0.58 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1jyo n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jyo n GLY 80 N 1.40 0.97 3.02 0.62 0.00 -1.26 -4.80 105.19 105.15 1jyo n GLY 80 Ca 0.03 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1jyo n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyo s THR 81 N -1.49 0.94 -0.23 2.61 2.01 0.83 -4.05 115.64 116.26 1jyo s THR 81 Ca 0.00 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 1jyo s THR 81 Cb 0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1jyo s THR 81 CO 0.00 0.30 0.63 -0.76 -0.69 0.00 0.00 174.62 174.10 1jyo s LEU 82 N 0.33 4.10 0.09 4.42 1.43 -1.26 -0.49 118.68 127.31 1jyo s LEU 82 Ca -0.06 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1jyo s LEU 82 Cb -0.11 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1jyo s LEU 82 CO 0.01 -0.33 -0.15 0.00 0.23 0.00 0.00 176.35 176.12 1jyo s ALA 83 N 2.22 1.31 -0.20 4.21 0.00 0.43 -4.97 121.76 124.77 1jyo s ALA 83 Ca 0.28 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 1jyo s ALA 83 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1jyo s ALA 83 CO 0.09 0.16 0.06 -0.47 0.00 0.00 0.00 175.76 175.60 1jyo s TYR 84 N -1.55 3.19 -0.46 0.00 5.04 -1.26 -0.60 117.35 121.71 1jyo s TYR 84 Ca 0.02 -0.06 -0.15 0.00 -2.44 0.00 0.00 57.07 54.43 1jyo s TYR 84 Cb -0.08 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.19 1jyo s TYR 84 CO 0.03 0.02 0.37 0.42 -1.34 0.00 0.00 175.55 175.05 1jyo s ILE 85 N 0.66 5.20 0.00 3.14 1.09 -0.17 -4.99 121.20 126.13 1jyo s ILE 85 Ca 0.03 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.57 1jyo s ILE 85 Cb -0.13 -4.07 0.00 0.00 -1.06 0.00 0.00 42.46 37.20 1jyo s ILE 85 CO 0.02 -0.53 0.67 -0.67 -0.10 0.00 0.00 174.94 174.33 1jyo n ASP 86 N 5.18 0.00 -0.18 3.58 2.03 -1.26 -1.26 116.55 124.64 1jyo n ASP 86 Ca -0.12 0.67 -0.03 0.00 0.52 0.00 0.00 54.79 55.83 1jyo n ASP 86 Cb 0.44 -0.17 0.07 0.00 -0.72 0.00 0.00 41.12 40.74 1jyo n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jyo h ALA 87 N -1.67 0.70 0.00 -1.67 0.00 -1.99 -0.84 119.26 113.78 1jyo h ALA 87 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jyo h ALA 87 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jyo h ALA 87 CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1jyo n ALA 88 N -2.36 1.65 -4.07 0.00 0.00 -1.20 -4.87 120.51 109.66 1jyo n ALA 88 Ca 0.06 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1jyo n ALA 88 Cb 0.16 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 1jyo n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jyo n GLU 89 N -1.41 -2.51 -4.95 0.00 1.02 -0.32 -4.89 120.64 107.57 1jyo n GLU 89 Ca 0.04 0.30 -0.26 0.00 -0.02 0.00 0.00 57.16 57.22 1jyo n GLU 89 Cb 0.13 -4.21 -0.16 0.00 -0.02 0.00 0.00 31.44 27.18 1jyo n GLU 89 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyo s THR 90 N -4.10 1.54 -0.26 2.62 2.01 -1.01 -0.93 115.64 115.51 1jyo s THR 90 Ca 0.00 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 1jyo s THR 90 Cb -0.00 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 1jyo s THR 90 CO 0.92 0.44 0.26 -0.22 -0.69 0.00 0.00 174.62 175.33 1jyo s LEU 91 N -0.42 4.05 0.20 4.42 2.96 -0.22 -0.99 118.68 128.67 1jyo s LEU 91 Ca 0.07 0.15 0.11 0.00 -0.22 0.00 0.00 54.13 54.23 1jyo s LEU 91 Cb -0.08 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1jyo s LEU 91 CO -0.01 -0.07 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.98 1jyo s LEU 92 N 1.70 2.56 -0.18 -0.68 1.43 0.24 -2.12 118.68 121.64 1jyo s LEU 92 Ca 0.11 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1jyo s LEU 92 Cb -0.15 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1jyo s LEU 92 CO 0.09 0.11 0.02 -0.22 0.23 0.00 0.00 176.35 176.58 1jyo s LEU 93 N -2.81 3.55 -0.05 1.79 2.96 0.02 -0.43 118.68 123.72 1jyo s LEU 93 Ca 0.23 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1jyo s LEU 93 Cb -0.08 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1jyo s LEU 93 CO 0.12 0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.58 1jyo s ILE 94 N 0.45 0.90 -0.05 6.68 1.01 0.36 -0.23 121.20 130.32 1jyo s ILE 94 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1jyo s ILE 94 Cb -0.13 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.54 1jyo s ILE 94 CO 0.02 0.30 0.11 -2.28 0.00 0.00 0.00 174.94 173.08 1jyo s HIS 95 N 0.64 -0.10 0.15 3.97 2.46 -0.62 -0.12 115.29 121.66 1jyo s HIS 95 Ca -0.12 0.39 -0.15 0.00 0.47 0.00 0.00 55.06 55.66 1jyo s HIS 95 Cb -0.14 -0.18 -0.07 0.00 -0.13 0.00 0.00 32.58 32.06 1jyo s HIS 95 CO 0.02 -0.16 0.56 0.00 -2.47 0.00 0.00 174.74 172.69 1jyo s ALA 96 N 1.36 3.57 -0.32 1.58 0.00 -1.26 -0.16 121.76 126.53 1jyo s ALA 96 Ca -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 1jyo s ALA 96 Cb -0.12 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.52 1jyo s ALA 96 CO -0.05 0.45 0.04 0.42 0.00 0.00 0.00 175.76 176.62 1jyo s ILE 97 N -1.46 3.11 -0.25 0.00 1.01 0.15 -4.96 121.20 118.80 1jyo s ILE 97 Ca 0.38 -1.46 0.21 0.00 0.00 0.00 0.00 60.65 59.78 1jyo s ILE 97 Cb -0.15 -2.84 0.04 0.00 0.01 0.00 0.00 42.46 39.52 1jyo s ILE 97 CO 0.19 -0.20 1.12 0.71 0.00 0.00 0.00 174.94 176.76 1jyo h THR 98 N 6.42 0.11 -3.42 2.92 1.35 -1.91 -2.54 112.91 115.84 1jyo h THR 98 Ca -0.20 -1.20 -0.72 0.00 -0.55 0.00 0.00 66.41 63.74 1jyo h THR 98 Cb 1.06 1.70 -0.28 0.00 -1.73 0.00 0.00 68.15 68.90 1jyo h THR 98 CO 0.56 0.06 -0.45 -0.62 -0.25 0.00 0.00 175.52 174.82 1jyo s ASP 99 N -5.62 5.66 -0.10 5.36 2.15 -1.26 -4.91 116.67 117.96 1jyo s ASP 99 Ca 0.01 -1.56 0.15 0.00 0.43 0.00 0.00 52.55 51.57 1jyo s ASP 99 Cb 0.09 -2.00 0.49 0.00 -0.30 0.00 0.00 42.92 41.20 1jyo s ASP 99 CO 0.77 -0.56 1.41 0.18 -0.17 0.00 0.00 175.17 176.80 1jyo n LEU 100 N 4.92 3.74 0.03 -1.34 4.77 -1.26 -4.54 117.00 123.31 1jyo n LEU 100 Ca -0.10 -2.49 0.14 0.00 -0.03 0.00 0.00 56.01 53.53 1jyo n LEU 100 Cb 0.43 -0.43 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 1jyo n LEU 100 CO 0.40 0.73 0.92 0.35 -1.33 0.00 0.00 177.39 178.45 1jyo n THR 101 N 0.27 0.18 -4.28 -5.08 -2.24 -1.26 -4.78 114.28 97.09 1jyo n THR 101 Ca 0.19 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.64 1jyo n THR 101 Cb 0.72 -0.50 -0.17 0.00 -2.10 0.00 0.00 70.33 68.28 1jyo n THR 101 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jyo s ASN 102 N -3.47 1.60 0.20 3.42 2.47 -1.26 -5.02 114.94 112.88 1jyo s ASN 102 Ca 0.13 -0.24 -0.07 0.00 0.42 0.00 0.00 52.86 53.10 1jyo s ASN 102 Cb 0.17 -0.70 0.13 0.00 -1.45 0.00 0.00 41.25 39.40 1jyo s ASN 102 CO 0.56 -0.04 1.62 0.74 -3.72 0.00 0.00 177.10 176.26 1jyo h THR 103 N 6.08 1.27 -0.59 -5.21 2.02 -1.96 -2.51 112.91 112.01 1jyo h THR 103 Ca -0.32 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1jyo h THR 103 Cb 1.16 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1jyo h THR 103 CO 0.45 0.44 0.32 0.22 0.37 0.00 0.00 175.52 177.32 1jyo h TYR 104 N 0.79 0.81 -0.15 3.16 3.20 -1.99 -2.19 116.97 120.61 1jyo h TYR 104 Ca 0.12 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1jyo h TYR 104 Cb 0.70 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1jyo h TYR 104 CO 0.04 0.59 0.07 1.25 -1.64 0.00 0.00 178.16 178.47 1jyo h HIS 105 N 0.80 0.21 -0.33 -3.82 2.76 -1.92 -1.41 115.15 111.44 1jyo h HIS 105 Ca 0.21 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1jyo h HIS 105 Cb 0.05 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 1jyo h HIS 105 CO -0.01 0.26 0.11 0.82 -1.30 0.00 0.00 177.93 177.81 1jyo h ILE 106 N 0.11 0.90 -0.64 6.26 2.04 -1.32 -0.31 117.51 124.54 1jyo h ILE 106 Ca 0.05 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1jyo h ILE 106 Cb 0.13 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1jyo h ILE 106 CO -0.01 0.05 0.30 0.40 0.00 0.00 0.00 178.15 178.89 1jyo h ILE 107 N 0.25 1.21 -0.65 -0.67 2.04 -1.33 -0.24 117.51 118.13 1jyo h ILE 107 Ca 0.15 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 1jyo h ILE 107 Cb 0.12 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1jyo h ILE 107 CO -0.15 0.26 0.14 -1.28 0.00 0.00 0.00 178.15 177.11 1jyo h SER 108 N 0.91 1.00 -0.42 1.72 0.87 -0.46 -0.87 113.55 116.30 1jyo h SER 108 Ca 0.22 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1jyo h SER 108 Cb 0.12 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1jyo h SER 108 CO -0.03 0.99 0.16 1.56 -0.53 0.00 0.00 176.83 178.98 1jyo h GLN 109 N 0.97 0.64 -0.56 2.24 1.08 -0.41 -2.44 115.11 116.63 1jyo h GLN 109 Ca 0.20 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1jyo h GLN 109 Cb 0.39 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1jyo h GLN 109 CO 0.01 0.61 0.26 1.25 -0.95 0.00 0.00 178.83 180.00 1jyo h LEU 110 N 0.54 0.75 -0.80 1.46 5.85 -0.74 -0.88 115.31 121.48 1jyo h LEU 110 Ca 0.14 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1jyo h LEU 110 Cb 0.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1jyo h LEU 110 CO -0.01 0.68 -0.32 1.05 -0.34 0.00 0.00 178.44 179.50 1jyo h GLU 111 N 0.76 0.52 -0.27 1.25 4.11 -1.08 -1.84 114.58 118.03 1jyo h GLU 111 Ca 0.19 -0.23 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 1jyo h GLU 111 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1jyo h GLU 111 CO -0.02 0.78 -0.39 0.77 0.07 0.00 0.00 179.01 180.23 1jyo h SER 112 N 0.45 0.66 -0.14 3.06 0.02 -1.26 -2.76 113.55 113.58 1jyo h SER 112 Ca 0.05 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1jyo h SER 112 Cb 0.78 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1jyo h SER 112 CO 0.06 0.98 0.08 0.15 -1.14 0.00 0.00 176.83 176.96 1jyo h PHE 113 N 0.52 0.19 -0.16 3.45 3.57 -0.76 -0.97 116.94 122.78 1jyo h PHE 113 Ca 0.05 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1jyo h PHE 113 Cb 0.90 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1jyo h PHE 113 CO 0.04 0.19 -0.24 -0.39 -2.23 0.00 0.00 178.31 175.68 1jyo h VAL 114 N 0.14 1.24 -0.21 1.41 -1.51 -1.34 0.57 116.25 116.55 1jyo h VAL 114 Ca 0.05 -1.11 -0.16 0.00 -1.23 0.00 0.00 66.70 64.25 1jyo h VAL 114 Cb 0.06 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1jyo h VAL 114 CO -0.01 0.34 -0.53 0.78 -1.23 0.00 0.00 177.57 176.92 1jyo h ASN 115 N 0.26 0.67 -0.51 4.19 2.35 -1.30 -1.36 115.58 119.89 1jyo h ASN 115 Ca 0.04 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.34 1jyo h ASN 115 Cb 0.57 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1jyo h ASN 115 CO 0.04 1.08 -0.05 -0.61 -1.65 0.00 0.00 177.43 176.24 1jyo h GLN 116 N 0.47 0.93 -0.36 0.81 5.75 -0.67 -1.58 115.11 120.45 1jyo h GLN 116 Ca 0.01 -0.32 0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1jyo h GLN 116 Cb 1.08 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.52 1jyo h GLN 116 CO 0.10 0.98 0.09 0.37 -2.65 0.00 0.00 178.83 177.72 1jyo h GLN 117 N 0.79 0.21 -0.47 1.69 4.15 -0.68 -1.02 115.11 119.79 1jyo h GLN 117 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1jyo h GLN 117 Cb 0.59 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1jyo h GLN 117 CO 0.04 0.14 0.31 1.49 -1.93 0.00 0.00 178.83 178.88 1jyo h GLU 118 N 0.22 0.61 -0.60 1.69 4.81 -0.98 -1.16 114.58 119.17 1jyo h GLU 118 Ca 0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1jyo h GLU 118 Cb 0.19 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1jyo h GLU 118 CO -0.21 0.41 0.24 0.00 -0.73 0.00 0.00 179.01 178.71 1jyo h ALA 119 N 1.17 0.78 -0.39 2.92 0.00 -0.86 -2.20 119.26 120.69 1jyo h ALA 119 Ca 0.17 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jyo h ALA 119 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1jyo h ALA 119 CO -0.04 0.40 -0.10 -0.07 0.00 0.00 0.00 179.25 179.44 1jyo h LEU 120 N 0.84 0.76 -1.26 0.00 3.38 -1.04 -2.39 115.31 115.61 1jyo h LEU 120 Ca 0.20 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1jyo h LEU 120 Cb 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jyo h LEU 120 CO -0.02 0.95 0.52 0.11 0.09 0.00 0.00 178.44 180.09 1jyo h LYS 121 N 0.56 0.95 -0.07 1.13 1.57 -1.09 0.51 116.57 120.14 1jyo h LYS 121 Ca 0.10 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1jyo h LYS 121 Cb 0.62 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1jyo h LYS 121 CO 0.04 0.63 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.15 1jyo h ASN 122 N 0.98 0.18 0.42 0.86 2.35 -1.21 0.12 115.58 119.28 1jyo h ASN 122 Ca 0.31 -0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.69 1jyo h ASN 122 Cb 0.01 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1jyo h ASN 122 CO -0.08 0.65 -1.23 0.40 -1.65 0.00 0.00 177.43 175.51 1jyo h ILE 123 N 0.14 1.40 -0.01 2.81 2.04 -0.78 -3.38 117.51 119.73 1jyo h ILE 123 Ca 0.01 -2.78 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1jyo h ILE 123 Cb 0.92 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1jyo h ILE 123 CO 0.07 0.82 -0.47 0.18 0.00 0.00 0.00 178.15 178.76 1jyo n LEU 124 N -3.65 1.69 -0.30 1.44 4.77 0.08 -4.57 117.00 116.45 1jyo n LEU 124 Ca -0.11 -0.73 0.14 0.00 -0.03 0.00 0.00 56.01 55.29 1jyo n LEU 124 Cb 1.00 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.47 1jyo n LEU 124 CO 0.55 0.33 1.22 -0.61 -1.33 0.00 0.00 177.39 177.54 1jyo h GLN 125 N 1.81 0.65 0.00 3.23 5.75 -0.93 0.28 115.11 125.90 1jyo h GLN 125 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1jyo h GLN 125 Cb 0.62 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1jyo h GLN 125 CO 0.00 0.43 0.00 1.05 -2.65 0.00 0.00 178.83 177.66 1jyo h GLU 126 N 0.67 0.00 -0.01 1.69 4.11 -1.84 0.62 114.58 119.82 1jyo h GLU 126 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1jyo h GLU 126 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1jyo h GLU 126 CO -0.26 0.00 -0.58 0.66 0.07 0.00 0.00 179.01 178.90 1jyo n TYR 127 N -2.88 0.00 -1.62 2.06 0.53 0.08 -4.98 117.16 110.34 1jyo n TYR 127 Ca -0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.42 1jyo n TYR 127 Cb 0.06 -0.03 -0.00 0.00 -1.03 0.00 0.00 39.34 38.34 1jyo n TYR 127 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jyo n ALA 128 N -0.54 0.21 -2.28 -0.72 0.00 0.21 -4.76 120.51 112.63 1jyo n ALA 128 Ca 0.08 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1jyo n ALA 128 Cb 0.41 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1jyo n ALA 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jyo s LYS 129 N -1.78 3.81 0.00 0.00 2.20 0.40 -5.01 119.74 119.37 1jyo s LYS 129 Ca 0.59 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1jyo s LYS 129 Cb -0.62 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 31.73 1jyo s LYS 129 CO 0.59 -1.26 0.48 1.55 -0.36 0.00 0.00 175.35 176.35