#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 0.83 -0.78 1.96 5.75 -2.05 -1.23 115.11 119.59 1jyo h GLN 2 Ca 0.00 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 1jyo h GLN 2 Cb 0.00 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.33 1jyo h GLN 2 CO 0.00 0.64 0.45 0.00 -2.65 0.00 0.00 178.83 177.27 1jyo h ALA 3 N 1.14 1.07 -0.54 3.38 0.00 -2.04 0.92 119.26 123.19 1jyo h ALA 3 Ca 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jyo h ALA 3 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jyo h ALA 3 CO -0.03 0.12 0.21 0.45 0.00 0.00 0.00 179.25 180.00 1jyo h HIS 4 N 0.79 0.83 -0.38 0.00 3.86 -1.87 -1.96 115.15 116.43 1jyo h HIS 4 Ca 0.36 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1jyo h HIS 4 Cb 0.25 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1jyo h HIS 4 CO -0.06 0.68 0.05 1.96 0.86 0.00 0.00 177.93 181.42 1jyo h GLN 5 N 0.74 0.58 -0.36 2.45 1.08 -0.06 -1.82 115.11 117.73 1jyo h GLN 5 Ca 0.18 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.10 1jyo h GLN 5 Cb 0.21 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1jyo h GLN 5 CO -0.01 0.57 -0.43 -0.44 -0.95 0.00 0.00 178.83 177.57 1jyo h ASP 6 N 0.56 1.00 -0.28 1.46 3.32 -0.51 -2.06 116.42 119.92 1jyo h ASP 6 Ca 0.13 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1jyo h ASP 6 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1jyo h ASP 6 CO 0.00 1.29 0.07 0.40 -1.72 0.00 0.00 179.24 179.28 1jyo h ILE 7 N 0.74 1.21 0.00 0.35 2.04 -1.03 -2.27 117.51 118.55 1jyo h ILE 7 Ca 0.05 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1jyo h ILE 7 Cb 1.03 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1jyo h ILE 7 CO 0.10 0.23 -0.25 -0.29 0.00 0.00 0.00 178.15 177.95 1jyo h ILE 8 N 0.29 0.65 -0.41 -0.67 2.10 -1.36 -1.79 117.51 116.33 1jyo h ILE 8 Ca 0.09 -1.13 -0.14 0.00 1.08 0.00 0.00 64.86 64.76 1jyo h ILE 8 Cb 0.28 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 1jyo h ILE 8 CO 0.00 0.24 -0.31 0.00 -1.08 0.00 0.00 178.15 177.01 1jyo h ALA 9 N 1.75 0.68 -0.25 0.18 0.00 -1.15 0.16 119.26 120.63 1jyo h ALA 9 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1jyo h ALA 9 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jyo h ALA 9 CO 0.03 0.67 0.05 -0.91 0.00 0.00 0.00 179.25 179.09 1jyo h ASN 10 N 0.76 0.39 -0.94 0.00 2.35 -0.90 -1.06 115.58 116.18 1jyo h ASN 10 Ca 0.08 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1jyo h ASN 10 Cb 0.88 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1jyo h ASN 10 CO 0.08 0.54 0.61 0.40 -1.65 0.00 0.00 177.43 177.41 1jyo h ILE 11 N 0.23 1.18 -0.93 2.81 1.08 -1.21 -1.50 117.51 119.17 1jyo h ILE 11 Ca 0.08 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1jyo h ILE 11 Cb 0.30 -0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 1jyo h ILE 11 CO 0.00 0.22 0.62 1.23 -0.69 0.00 0.00 178.15 179.53 1jyo h GLY 12 N 1.20 1.31 1.01 5.37 0.00 -0.48 -1.44 103.07 110.05 1jyo h GLY 12 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1jyo h GLY 12 CO -0.11 0.46 0.57 0.83 0.00 0.00 0.00 176.54 178.29 1jyo h GLU 13 N 1.24 1.20 -0.13 4.80 5.08 -0.16 0.22 114.58 126.84 1jyo h GLU 13 Ca 0.35 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1jyo h GLU 13 Cb -0.11 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 1jyo h GLU 13 CO -0.08 0.82 -0.45 0.87 -1.00 0.00 0.00 179.01 179.17 1jyo h LYS 14 N 1.23 0.32 0.00 2.33 1.79 -0.94 -3.22 116.57 118.08 1jyo h LYS 14 Ca 0.33 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1jyo h LYS 14 Cb -0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1jyo h LYS 14 CO -0.07 0.71 -1.03 -0.07 -1.08 0.00 0.00 179.45 177.91 1jyo h LEU 15 N 0.26 0.00 0.00 2.94 3.38 -0.84 -3.48 115.31 117.57 1jyo h LEU 15 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jyo h LEU 15 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jyo h LEU 15 CO 0.07 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1jyo n GLY 16 N 1.23 1.04 3.01 0.83 0.00 0.65 -5.08 105.19 106.86 1jyo n GLY 16 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1jyo n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyo s LEU 17 N 0.00 2.15 -1.56 0.99 1.43 -0.38 -5.02 118.68 116.29 1jyo s LEU 17 Ca 0.00 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1jyo s LEU 17 Cb 0.00 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.02 1jyo s LEU 17 CO 0.00 -0.10 2.66 -0.81 0.23 0.00 0.00 176.35 178.32 1jyo n PRO 18 N 2.11 3.37 -2.07 1.29 -0.04 -1.26 -4.04 135.00 134.34 1jyo n PRO 18 Ca -0.19 -2.38 -0.38 0.00 -0.04 0.00 0.00 63.50 60.51 1jyo n PRO 18 Cb 0.56 -3.00 0.01 0.00 -0.04 0.00 0.00 33.50 31.03 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 0.97 4.00 0.08 1.53 1.43 -1.26 -5.05 118.68 120.38 1jyo s LEU 19 Ca 0.60 2.51 -0.26 0.00 -1.03 0.00 0.00 54.13 55.96 1jyo s LEU 19 Cb 0.16 -4.19 0.08 0.00 0.03 0.00 0.00 46.19 42.28 1jyo s LEU 19 CO -0.07 -1.10 0.70 0.28 0.23 0.00 0.00 176.35 176.38 1jyo s THR 20 N -1.42 0.00 0.15 5.49 -1.32 -1.26 -4.02 115.64 113.27 1jyo s THR 20 Ca 0.65 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.90 1jyo s THR 20 Cb -0.34 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.57 1jyo s THR 20 CO 0.41 0.00 0.71 -0.36 -2.21 0.00 0.00 174.62 173.18 1jyo s PHE 21 N -3.15 3.84 0.02 9.09 0.40 -1.26 -4.59 117.98 122.32 1jyo s PHE 21 Ca 0.00 1.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1jyo s PHE 21 Cb -0.01 -2.67 0.00 0.00 0.51 0.00 0.00 43.02 40.86 1jyo s PHE 21 CO -0.08 0.50 0.03 -0.40 0.70 0.00 0.00 175.22 175.97 1jyo n ASP 22 N 1.47 0.02 0.18 1.36 5.68 0.54 -4.83 116.55 120.97 1jyo n ASP 22 Ca -0.06 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.33 1jyo n ASP 22 Cb 0.50 -0.02 0.63 0.00 -1.14 0.00 0.00 41.12 41.08 1jyo n ASP 22 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1jyo h ASP 23 N -0.03 0.00 -0.30 -1.12 3.32 -1.98 0.10 116.42 116.41 1jyo h ASP 23 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1jyo h ASP 23 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1jyo h ASP 23 CO 0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 1jyo n ASN 24 N -2.36 2.54 -2.01 6.45 3.02 -1.26 -4.90 115.26 116.75 1jyo n ASN 24 Ca -0.01 -1.87 -0.18 0.00 -0.03 0.00 0.00 54.58 52.50 1jyo n ASN 24 Cb 0.09 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.90 -5.18 -4.46 6.41 3.02 0.35 -4.93 115.26 111.37 1jyo n ASN 25 Ca 0.17 -0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 1jyo n ASN 25 Cb 0.46 -4.26 -0.11 0.00 -0.61 0.00 0.00 39.78 35.26 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 -4.86 1.64 -0.31 3.52 -1.52 -1.26 -1.54 119.66 115.34 1jyo s GLN 26 Ca 0.00 -1.54 -0.02 0.00 -1.95 0.00 0.00 55.36 51.85 1jyo s GLN 26 Cb 0.00 -1.88 0.10 0.00 -0.22 0.00 0.00 33.01 31.01 1jyo s GLN 26 CO 0.00 0.39 0.12 0.00 -0.25 0.00 0.00 175.29 175.54 1jyo s LEU 28 N 1.76 4.43 0.09 0.00 2.01 -1.26 -1.61 118.68 124.10 1jyo s LEU 28 Ca 0.10 1.88 0.04 0.00 0.01 0.00 0.00 54.13 56.16 1jyo s LEU 28 Cb -0.17 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.41 1jyo s LEU 28 CO -0.28 -0.25 -0.11 -0.76 1.01 0.00 0.00 176.35 175.96 1jyo s LEU 29 N 0.43 2.37 -0.07 1.79 1.43 0.14 -4.99 118.68 119.77 1jyo s LEU 29 Ca 0.52 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1jyo s LEU 29 Cb -0.25 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1jyo s LEU 29 CO 0.30 -0.20 -0.09 -0.22 0.23 0.00 0.00 176.35 176.37 1jyo s LEU 30 N -2.22 1.44 -0.12 1.79 2.96 -1.26 -1.40 118.68 119.87 1jyo s LEU 30 Ca 0.03 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1jyo s LEU 30 Cb -0.05 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1jyo s LEU 30 CO 0.01 -0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.21 1jyo s LEU 31 N 1.00 3.29 0.00 -0.68 2.01 0.28 -4.95 118.68 119.63 1jyo s LEU 31 Ca -0.09 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.01 1jyo s LEU 31 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 46.19 44.29 1jyo s LEU 31 CO -0.00 0.27 0.00 0.47 1.01 0.00 0.00 176.35 178.10 1jyo n ASP 32 N 2.87 0.00 0.00 2.29 9.92 -1.26 -2.13 116.55 128.24 1jyo n ASP 32 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1jyo n ASP 32 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1jyo n ASP 32 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jyo n SER 33 N 3.12 1.22 0.00 -2.24 7.64 -1.26 -4.81 113.62 117.29 1jyo n SER 33 Ca 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1jyo n SER 33 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jyo n SER 33 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jyo n ASP 34 N -0.12 0.00 -4.32 6.43 5.75 -1.19 -5.04 116.55 118.08 1jyo n ASP 34 Ca 0.00 -1.00 -0.42 0.00 -0.01 0.00 0.00 54.79 53.36 1jyo n ASP 34 Cb 0.06 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.00 4.67 -0.19 2.12 -1.09 -0.91 -4.99 121.20 120.81 1jyo s ILE 35 Ca 0.00 -1.29 -0.13 0.00 -2.23 0.00 0.00 60.65 57.00 1jyo s ILE 35 Cb 0.00 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1jyo s ILE 35 CO 0.00 -0.57 0.28 -0.36 -1.23 0.00 0.00 174.94 173.06 1jyo s PHE 36 N 1.52 3.40 0.05 3.97 0.40 -1.26 -0.56 117.98 125.49 1jyo s PHE 36 Ca 0.04 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1jyo s PHE 36 Cb -0.24 -2.36 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1jyo s PHE 36 CO 0.04 0.13 -0.05 0.99 0.70 0.00 0.00 175.22 177.03 1jyo s THR 37 N 0.84 0.35 -0.03 0.64 2.01 -0.49 -1.53 115.64 117.42 1jyo s THR 37 Ca 0.14 -1.45 -0.05 0.00 0.31 0.00 0.00 61.69 60.64 1jyo s THR 37 Cb -0.13 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1jyo s THR 37 CO 0.05 -0.72 0.13 -0.94 -0.69 0.00 0.00 174.62 172.45 1jyo s SER 38 N -2.29 -0.08 -0.20 3.53 1.04 -0.08 0.26 113.70 115.88 1jyo s SER 38 Ca -0.02 0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.46 1jyo s SER 38 Cb -0.01 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1jyo s SER 38 CO -0.04 -0.14 0.05 -0.63 0.98 0.00 0.00 173.24 173.45 1jyo s ILE 39 N -0.38 4.51 -0.13 -1.02 1.01 -0.63 -1.06 121.20 123.50 1jyo s ILE 39 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1jyo s ILE 39 Cb -0.03 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1jyo s ILE 39 CO 0.00 0.43 -0.21 -0.70 0.00 0.00 0.00 174.94 174.47 1jyo s GLU 40 N 0.71 2.85 -0.12 2.79 2.12 0.57 -0.96 118.70 126.66 1jyo s GLU 40 Ca 0.02 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.31 1jyo s GLU 40 Cb -0.13 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.94 1jyo s GLU 40 CO 0.02 0.01 0.79 0.00 -0.54 0.00 0.00 175.26 175.53 1jyo s ALA 41 N 0.77 3.42 -0.31 6.30 0.00 -0.59 -0.21 121.76 131.14 1jyo s ALA 41 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1jyo s ALA 41 Cb -0.16 -3.13 0.12 0.00 0.00 0.00 0.00 23.12 19.96 1jyo s ALA 41 CO -0.00 -0.41 0.22 0.21 0.00 0.00 0.00 175.76 175.78 1jyo s LYS 42 N 1.55 0.34 6.63 0.00 2.20 -0.35 -4.90 119.74 125.21 1jyo s LYS 42 Ca 0.39 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1jyo s LYS 42 Cb -0.17 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1jyo s LYS 42 CO 0.16 -1.07 0.00 -0.25 -0.36 0.00 0.00 175.35 173.82 1jyo n ASP 43 N 4.96 0.00 0.00 1.43 8.00 -1.26 -1.48 116.55 128.20 1jyo n ASP 43 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1jyo n ASP 43 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1jyo n ASP 43 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jyo n ASP 44 N 3.08 0.00 -3.60 -2.24 8.00 -1.26 -4.91 116.55 115.62 1jyo n ASP 44 Ca 0.00 -0.14 -0.18 0.00 0.71 0.00 0.00 54.79 55.18 1jyo n ASP 44 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1jyo n ASP 44 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1jyo s ILE 45 N -2.00 0.02 0.06 0.53 -4.36 -0.55 -4.90 121.20 110.01 1jyo s ILE 45 Ca 0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.49 1jyo s ILE 45 Cb 0.01 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 1jyo s ILE 45 CO 0.01 0.00 -0.23 0.26 0.24 0.00 0.00 174.94 175.22 1jyo s TRP 46 N -3.62 2.02 -0.09 1.37 0.52 -0.97 -1.21 118.94 116.95 1jyo s TRP 46 Ca 0.40 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.17 1jyo s TRP 46 Cb 0.04 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1jyo s TRP 46 CO 0.23 0.14 -0.23 -0.51 0.02 0.00 0.00 176.95 176.60 1jyo s LEU 47 N -1.35 2.19 -0.22 2.99 1.43 0.71 -0.55 118.68 123.88 1jyo s LEU 47 Ca 0.09 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1jyo s LEU 47 Cb -0.09 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1jyo s LEU 47 CO 0.02 0.20 0.20 -0.76 0.23 0.00 0.00 176.35 176.24 1jyo s LEU 48 N 0.10 4.15 -0.13 1.79 1.43 0.40 -0.31 118.68 126.11 1jyo s LEU 48 Ca -0.11 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1jyo s LEU 48 Cb -0.16 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1jyo s LEU 48 CO 0.06 0.07 -0.15 0.20 0.23 0.00 0.00 176.35 176.77 1jyo s ASN 49 N 0.86 3.84 -0.09 2.29 0.01 -0.22 -1.67 114.94 119.95 1jyo s ASN 49 Ca 0.10 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1jyo s ASN 49 Cb -0.13 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 39.97 1jyo s ASN 49 CO 0.03 0.15 -0.09 -0.83 -1.51 0.00 0.00 177.10 174.86 1jyo s GLY 50 N 0.44 0.79 0.00 0.66 0.00 0.46 -0.90 107.32 108.77 1jyo s GLY 50 Ca -0.11 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 1jyo s GLY 50 CO 0.05 0.57 1.39 -0.29 0.00 0.00 0.00 173.10 174.83 1jyo s MET 51 N 1.33 4.29 0.00 2.90 1.75 -0.59 -0.73 119.30 128.25 1jyo s MET 51 Ca -0.02 1.96 0.00 0.00 -1.25 0.00 0.00 55.69 56.38 1jyo s MET 51 Cb -0.14 -3.56 0.00 0.00 2.84 0.00 0.00 34.83 33.97 1jyo s MET 51 CO -0.04 -0.57 0.00 -0.89 -0.65 0.00 0.00 175.02 172.88 1jyo n ILE 52 N 4.63 0.00 -3.64 10.11 2.08 -0.79 -4.64 119.36 127.12 1jyo n ILE 52 Ca 0.13 0.23 -0.14 0.00 0.56 0.00 0.00 62.75 63.53 1jyo n ILE 52 Cb 0.44 -1.19 -0.06 0.00 -0.75 0.00 0.00 39.64 38.08 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 -0.58 0.04 0.07 1.39 -4.36 -1.17 -4.89 121.20 111.70 1jyo s ILE 53 Ca 0.00 -0.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.73 1jyo s ILE 53 Cb 0.00 -0.91 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 1jyo s ILE 53 CO 0.00 -0.20 0.98 -2.16 0.24 0.00 0.00 174.94 173.81 1jyo s PRO 54 N -2.16 4.63 -0.02 0.37 0.04 -1.26 -1.11 135.00 135.50 1jyo s PRO 54 Ca -0.07 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1jyo s PRO 54 Cb -0.01 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1jyo s PRO 54 CO 0.00 0.09 -0.04 -1.17 0.04 0.00 0.00 177.00 175.92 1jyo s LEU 55 N 0.42 1.73 0.33 -3.56 2.96 -0.45 -2.05 118.68 118.06 1jyo s LEU 55 Ca 0.49 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 1jyo s LEU 55 Cb -0.23 -0.27 -0.11 0.00 0.50 0.00 0.00 46.19 46.07 1jyo s LEU 55 CO 0.29 0.01 1.56 -0.55 -1.32 0.00 0.00 176.35 176.34 1jyo s SER 56 N 0.27 6.35 0.21 3.68 0.15 -1.26 -4.45 113.70 118.65 1jyo s SER 56 Ca -0.03 3.00 0.22 0.00 0.70 0.00 0.00 55.95 59.84 1jyo s SER 56 Cb -0.06 -2.65 0.91 0.00 -1.71 0.00 0.00 66.02 62.51 1jyo s SER 56 CO -0.00 -0.90 1.67 -0.81 1.20 0.00 0.00 173.24 174.40 1jyo n PRO 57 N 1.49 0.16 -2.16 5.44 -0.04 -1.26 -2.46 135.00 136.16 1jyo n PRO 57 Ca 0.05 0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 63.64 1jyo n PRO 57 Cb 0.38 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.10 2.49 0.30 0.52 0.24 -1.26 -4.80 118.33 113.72 1jyo n VAL 58 Ca 0.03 -4.44 0.19 0.00 -2.04 0.00 0.00 64.34 58.07 1jyo n VAL 58 Cb 0.23 -1.18 0.89 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 -0.56 2.50 0.19 0.00 0.00 -1.26 -4.61 105.19 101.44 1jyo n GLY 60 Ca -0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.36 -0.88 1.61 3.32 -1.99 -2.07 116.42 116.05 1jyo h ASP 61 Ca 0.00 0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.30 1jyo h ASP 61 Cb 0.00 0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 1jyo h ASP 61 CO 0.00 -0.13 0.51 -1.28 -1.72 0.00 0.00 179.24 176.62 1jyo h SER 62 N 0.04 0.72 0.08 6.45 0.87 -1.99 0.12 113.55 119.83 1jyo h SER 62 Ca 0.24 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.63 1jyo h SER 62 Cb 0.36 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1jyo h SER 62 CO -0.46 0.38 -0.91 0.40 -0.53 0.00 0.00 176.83 175.70 1jyo h ILE 63 N 0.81 1.38 -0.16 2.23 2.04 -1.72 -2.75 117.51 119.34 1jyo h ILE 63 Ca 0.44 -2.33 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 1jyo h ILE 63 Cb 0.47 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1jyo h ILE 63 CO -0.28 0.69 0.09 -0.50 0.00 0.00 0.00 178.15 178.15 1jyo h TRP 64 N 0.01 0.22 -0.52 1.37 -0.00 -1.13 -2.07 115.95 113.84 1jyo h TRP 64 Ca -0.14 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.79 1jyo h TRP 64 Cb 1.63 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 30.68 1jyo h TRP 64 CO 0.14 0.21 0.28 -0.09 -0.00 0.00 0.00 178.44 178.98 1jyo h ARG 65 N 0.17 0.52 -0.88 0.49 2.43 -0.85 0.36 114.38 116.62 1jyo h ARG 65 Ca 0.06 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1jyo h ARG 65 Cb 0.06 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1jyo h ARG 65 CO -0.01 0.35 0.55 0.37 -1.51 0.00 0.00 179.97 179.72 1jyo h GLN 66 N 0.54 0.98 -0.38 0.20 4.15 -1.28 0.11 115.11 119.43 1jyo h GLN 66 Ca 0.22 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1jyo h GLN 66 Cb 0.11 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1jyo h GLN 66 CO -0.14 0.65 -0.05 0.82 -1.93 0.00 0.00 178.83 178.18 1jyo h ILE 67 N 1.01 1.27 0.00 2.39 2.04 -0.61 -1.61 117.51 122.00 1jyo h ILE 67 Ca 0.38 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1jyo h ILE 67 Cb 0.15 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jyo h ILE 67 CO -0.16 0.36 -0.22 0.24 0.00 0.00 0.00 178.15 178.37 1jyo h MET 68 N 0.52 0.00 -0.01 2.37 2.86 -0.37 -1.27 114.93 119.02 1jyo h MET 68 Ca 0.10 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.51 1jyo h MET 68 Cb 0.54 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.22 1jyo h MET 68 CO 0.03 0.22 -0.91 0.28 1.06 0.00 0.00 176.91 177.59 1jyo h VAL 69 N 0.00 1.31 -0.41 -2.22 2.07 -0.59 -3.03 116.25 113.38 1jyo h VAL 69 Ca -0.00 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1jyo h VAL 69 Cb 0.62 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1jyo h VAL 69 CO 0.03 0.67 0.23 0.40 0.02 0.00 0.00 177.57 178.91 1jyo h ILE 70 N 0.28 1.13 -0.01 4.57 2.04 -0.88 -1.00 117.51 123.64 1jyo h ILE 70 Ca -0.11 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1jyo h ILE 70 Cb 1.57 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1jyo h ILE 70 CO 0.18 0.14 0.00 0.78 0.00 0.00 0.00 178.15 179.25 1jyo h ASN 71 N 0.56 0.00 -0.43 1.72 2.35 -1.12 -0.90 115.58 117.77 1jyo h ASN 71 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 1jyo h ASN 71 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1jyo h ASN 71 CO -0.03 0.00 -0.31 1.23 -1.65 0.00 0.00 177.43 176.67 1jyo h GLY 72 N 0.00 1.06 1.10 2.83 0.00 -1.19 -0.90 103.07 105.96 1jyo h GLY 72 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 47.33 46.16 1jyo h GLY 72 CO -0.00 0.92 -0.39 0.83 0.00 0.00 0.00 176.54 177.91 1jyo h GLU 73 N 0.81 0.88 -0.45 4.80 5.08 -1.35 -1.48 114.58 122.87 1jyo h GLU 73 Ca 0.08 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1jyo h GLU 73 Cb 0.91 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1jyo h GLU 73 CO 0.08 1.12 0.09 -0.07 -1.00 0.00 0.00 179.01 179.24 1jyo h LEU 74 N 0.68 0.70 -0.77 1.33 3.38 -1.13 -3.02 115.31 116.48 1jyo h LEU 74 Ca 0.05 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1jyo h LEU 74 Cb 0.98 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1jyo h LEU 74 CO 0.09 0.76 -0.49 0.00 0.09 0.00 0.00 178.44 178.90 1jyo h ALA 75 N 0.96 0.95 -0.14 1.53 0.00 -1.13 0.61 119.26 122.04 1jyo h ALA 75 Ca 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jyo h ALA 75 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jyo h ALA 75 CO 0.00 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.98 1jyo h ALA 76 N 1.24 1.86 -0.48 0.00 0.00 -1.15 -1.89 119.26 118.84 1jyo h ALA 76 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jyo h ALA 76 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1jyo h ALA 76 CO 0.08 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1jyo n ASN 77 N -4.49 3.31 -3.98 0.00 3.02 -1.08 -4.97 115.26 107.06 1jyo n ASN 77 Ca -0.01 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 1jyo n ASN 77 Cb 0.10 -0.32 0.01 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 1.02 -4.01 -0.10 6.41 4.05 -0.61 -4.86 115.26 117.15 1jyo n ASN 78 Ca 0.17 -0.85 0.12 0.00 0.45 0.00 0.00 54.58 54.47 1jyo n ASN 78 Cb 0.51 -3.60 0.26 0.00 1.23 0.00 0.00 39.78 38.17 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 -4.58 0.33 0.00 1.20 -0.58 0.11 -5.01 120.64 112.11 1jyo n GLU 79 Ca 0.01 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1jyo n GLU 79 Cb 0.53 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1jyo n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jyo n GLY 80 N 1.44 0.93 3.09 0.62 0.00 -1.25 -4.82 105.19 105.19 1jyo n GLY 80 Ca 0.08 -2.05 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.13 1.20 -0.23 2.61 2.01 0.10 -4.11 115.64 116.10 1jyo s THR 81 Ca 0.00 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 1jyo s THR 81 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1jyo s THR 81 CO 0.00 0.35 0.55 -0.76 -0.69 0.00 0.00 174.62 174.08 1jyo s LEU 82 N 0.10 4.10 0.09 4.42 1.43 -1.26 -0.44 118.68 127.11 1jyo s LEU 82 Ca -0.04 0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1jyo s LEU 82 Cb -0.11 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1jyo s LEU 82 CO 0.02 -0.27 -0.17 0.00 0.23 0.00 0.00 176.35 176.16 1jyo s ALA 83 N 2.07 1.46 -0.19 4.21 0.00 -0.03 -4.98 121.76 124.30 1jyo s ALA 83 Ca 0.24 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1jyo s ALA 83 Cb -0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1jyo s ALA 83 CO 0.09 0.24 0.06 -0.47 0.00 0.00 0.00 175.76 175.69 1jyo s TYR 84 N -1.30 3.22 -0.44 0.00 5.04 -1.26 -1.12 117.35 121.50 1jyo s TYR 84 Ca 0.02 0.00 -0.13 0.00 -2.44 0.00 0.00 57.07 54.52 1jyo s TYR 84 Cb -0.10 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.17 1jyo s TYR 84 CO 0.03 0.07 0.32 0.42 -1.34 0.00 0.00 175.55 175.06 1jyo s ILE 85 N 0.58 4.94 0.00 3.14 -1.09 -0.36 -5.00 121.20 123.41 1jyo s ILE 85 Ca 0.03 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 1jyo s ILE 85 Cb -0.13 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1jyo s ILE 85 CO 0.01 -0.46 0.65 -0.67 -1.23 0.00 0.00 174.94 173.24 1jyo n ASP 86 N 5.11 0.00 -0.30 3.58 2.03 -1.26 -1.34 116.55 124.36 1jyo n ASP 86 Ca -0.12 0.65 0.03 0.00 0.52 0.00 0.00 54.79 55.88 1jyo n ASP 86 Cb 0.44 -0.15 0.17 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.76 1.22 0.00 -1.67 0.00 -1.99 -0.39 119.26 114.67 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 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jyo h ALA 87 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1jyo n ALA 88 N -2.37 1.99 -3.99 0.00 0.00 -1.21 -4.90 120.51 110.02 1jyo n ALA 88 Ca 0.14 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1jyo n ALA 88 Cb 0.28 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.38 -1.47 -4.45 0.00 1.02 -0.16 -4.89 120.64 109.31 1jyo n GLU 89 Ca 0.07 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.28 1jyo n GLU 89 Cb 0.19 -3.68 -0.15 0.00 -0.02 0.00 0.00 31.44 27.78 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 -3.79 0.84 -0.26 2.62 2.01 -1.07 -1.34 115.64 114.64 1jyo s THR 90 Ca 0.26 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 1jyo s THR 90 Cb -0.12 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1jyo s THR 90 CO 0.93 0.23 0.17 -0.22 -0.69 0.00 0.00 174.62 175.04 1jyo s LEU 91 N -0.28 4.02 0.25 4.42 2.96 -0.26 -1.22 118.68 128.57 1jyo s LEU 91 Ca 0.04 0.02 0.12 0.00 -0.22 0.00 0.00 54.13 54.09 1jyo s LEU 91 Cb -0.04 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1jyo s LEU 91 CO -0.00 -0.01 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.06 1jyo s LEU 92 N 1.51 2.59 -0.15 -0.68 1.43 -0.27 -1.89 118.68 121.21 1jyo s LEU 92 Ca 0.07 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1jyo s LEU 92 Cb -0.15 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1jyo s LEU 92 CO 0.08 0.07 -0.03 -0.22 0.23 0.00 0.00 176.35 176.48 1jyo s LEU 93 N -3.24 3.28 -0.05 1.79 2.96 0.09 -0.85 118.68 122.66 1jyo s LEU 93 Ca 0.27 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1jyo s LEU 93 Cb -0.06 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1jyo s LEU 93 CO 0.14 0.18 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.60 1jyo s ILE 94 N 0.31 1.00 -0.08 6.68 1.01 0.41 -0.40 121.20 130.12 1jyo s ILE 94 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1jyo s ILE 94 Cb -0.14 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.46 1jyo s ILE 94 CO 0.03 0.32 0.18 -2.28 0.00 0.00 0.00 174.94 173.19 1jyo s HIS 95 N 0.51 -0.23 0.16 3.97 2.46 -0.67 0.00 115.29 121.50 1jyo s HIS 95 Ca -0.10 0.62 -0.17 0.00 0.47 0.00 0.00 55.06 55.88 1jyo s HIS 95 Cb -0.13 -0.09 -0.07 0.00 -0.13 0.00 0.00 32.58 32.15 1jyo s HIS 95 CO 0.02 -0.22 0.62 0.00 -2.47 0.00 0.00 174.74 172.69 1jyo s ALA 96 N 1.55 3.52 -0.33 1.58 0.00 -1.26 -0.46 121.76 126.37 1jyo s ALA 96 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1jyo s ALA 96 Cb -0.11 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.40 1jyo s ALA 96 CO -0.07 0.40 0.06 0.42 0.00 0.00 0.00 175.76 176.57 1jyo s ILE 97 N -1.40 3.27 -0.64 0.00 1.01 0.28 -4.97 121.20 118.76 1jyo s ILE 97 Ca 0.38 -1.39 0.24 0.00 0.00 0.00 0.00 60.65 59.87 1jyo s ILE 97 Cb -0.17 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1jyo s ILE 97 CO 0.20 -0.20 1.17 0.35 0.00 0.00 0.00 174.94 176.46 1jyo n THR 98 N 4.68 0.24 -3.80 2.92 -2.24 -1.26 -2.30 114.28 112.52 1jyo n THR 98 Ca -0.12 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 1jyo n THR 98 Cb 0.43 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 1jyo n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jyo s ASP 99 N -4.02 5.19 -0.05 3.42 2.15 -1.26 -4.91 116.67 117.18 1jyo s ASP 99 Ca 0.05 -1.54 0.15 0.00 0.43 0.00 0.00 52.55 51.64 1jyo s ASP 99 Cb 0.14 -1.81 0.46 0.00 -0.30 0.00 0.00 42.92 41.41 1jyo s ASP 99 CO 0.76 -0.40 1.38 0.18 -0.17 0.00 0.00 175.17 176.92 1jyo n LEU 100 N 4.68 3.54 0.19 -1.34 4.77 -1.26 -4.56 117.00 123.02 1jyo n LEU 100 Ca -0.09 -2.26 0.14 0.00 -0.03 0.00 0.00 56.01 53.77 1jyo n LEU 100 Cb 0.43 -0.38 0.44 0.00 -2.33 0.00 0.00 43.42 41.58 1jyo n LEU 100 CO 0.31 0.77 0.89 0.71 -1.33 0.00 0.00 177.39 178.74 1jyo h THR 101 N 2.61 0.00 -3.21 -5.08 1.35 -2.00 -3.44 112.91 103.14 1jyo h THR 101 Ca 0.00 -0.57 -0.54 0.00 -0.55 0.00 0.00 66.41 64.76 1jyo h THR 101 Cb 1.02 1.51 -0.36 0.00 -1.73 0.00 0.00 68.15 68.58 1jyo h THR 101 CO 0.08 0.00 -0.81 0.21 -0.25 0.00 0.00 175.52 174.75 1jyo s ASN 102 N -5.24 2.20 0.24 5.36 3.84 -1.26 -5.02 114.94 115.07 1jyo s ASN 102 Ca 0.06 -0.33 -0.05 0.00 0.21 0.00 0.00 52.86 52.74 1jyo s ASN 102 Cb 0.09 -0.89 0.34 0.00 -0.55 0.00 0.00 41.25 40.23 1jyo s ASN 102 CO 0.55 -0.08 1.86 0.74 -2.79 0.00 0.00 177.10 177.38 1jyo h THR 103 N 6.12 1.06 -0.64 -5.21 2.02 -1.96 -2.12 112.91 112.18 1jyo h THR 103 Ca -0.31 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1jyo h THR 103 Cb 1.14 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1jyo h THR 103 CO 0.44 0.19 0.37 0.22 0.37 0.00 0.00 175.52 177.10 1jyo h TYR 104 N 1.02 0.86 -0.18 3.16 3.20 -1.99 -1.21 116.97 121.83 1jyo h TYR 104 Ca 0.38 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1jyo h TYR 104 Cb 0.16 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1jyo h TYR 104 CO -0.03 0.60 0.08 1.25 -1.64 0.00 0.00 178.16 178.42 1jyo h HIS 105 N 0.87 0.27 -0.61 -3.82 2.76 -1.83 -1.78 115.15 111.02 1jyo h HIS 105 Ca 0.23 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 1jyo h HIS 105 Cb 0.01 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 1jyo h HIS 105 CO -0.01 0.32 0.37 0.82 -1.30 0.00 0.00 177.93 178.12 1jyo h ILE 106 N 0.15 1.05 -0.61 6.26 2.04 -1.17 -0.57 117.51 124.66 1jyo h ILE 106 Ca 0.06 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1jyo h ILE 106 Cb 0.16 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1jyo h ILE 106 CO -0.01 0.13 0.27 0.40 0.00 0.00 0.00 178.15 178.94 1jyo h ILE 107 N 0.71 1.22 -0.65 -0.67 1.08 -1.09 -1.19 117.51 116.91 1jyo h ILE 107 Ca 0.25 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1jyo h ILE 107 Cb 0.05 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1jyo h ILE 107 CO -0.12 0.26 0.33 -1.28 -0.69 0.00 0.00 178.15 176.66 1jyo h SER 108 N 0.84 0.84 -0.78 1.72 0.87 -0.85 -0.66 113.55 115.52 1jyo h SER 108 Ca 0.21 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1jyo h SER 108 Cb 0.16 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 1jyo h SER 108 CO -0.02 0.72 0.37 1.56 -0.53 0.00 0.00 176.83 178.92 1jyo h GLN 109 N 0.90 1.13 -0.47 2.24 1.08 -0.82 -1.54 115.11 117.63 1jyo h GLN 109 Ca 0.23 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1jyo h GLN 109 Cb 0.09 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1jyo h GLN 109 CO -0.03 0.88 0.01 1.25 -0.95 0.00 0.00 178.83 179.99 1jyo h LEU 110 N 1.10 0.80 -0.79 1.46 5.85 -0.67 -1.45 115.31 121.62 1jyo h LEU 110 Ca 0.27 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1jyo h LEU 110 Cb 0.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jyo h LEU 110 CO -0.03 0.91 -0.18 1.05 -0.34 0.00 0.00 178.44 179.84 1jyo h GLU 111 N 0.68 0.72 -0.51 1.25 4.11 -0.94 -1.56 114.58 118.33 1jyo h GLU 111 Ca 0.13 -0.27 -0.10 0.00 0.07 0.00 0.00 59.36 59.19 1jyo h GLU 111 Cb 0.49 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1jyo h GLU 111 CO 0.02 0.86 -0.10 0.77 0.07 0.00 0.00 179.01 180.63 1jyo h SER 112 N 0.64 0.93 0.02 3.06 0.02 -1.14 -2.65 113.55 114.43 1jyo h SER 112 Ca 0.10 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1jyo h SER 112 Cb 0.66 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1jyo h SER 112 CO 0.05 1.04 -0.01 0.15 -1.14 0.00 0.00 176.83 176.92 1jyo h PHE 113 N 0.84 -0.03 -0.14 3.45 3.57 -0.99 -0.68 116.94 122.96 1jyo h PHE 113 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1jyo h PHE 113 Cb 0.63 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1jyo h PHE 113 CO 0.04 0.13 -0.17 -0.39 -2.23 0.00 0.00 178.31 175.69 1jyo h VAL 114 N -0.18 1.19 -0.08 1.41 -1.51 -1.29 0.15 116.25 115.94 1jyo h VAL 114 Ca -0.00 -0.87 -0.19 0.00 -1.23 0.00 0.00 66.70 64.41 1jyo h VAL 114 Cb 0.17 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1jyo h VAL 114 CO 0.00 0.27 -0.75 0.78 -1.23 0.00 0.00 177.57 176.65 1jyo h ASN 115 N 0.21 0.53 -0.54 4.19 2.35 -1.35 -2.19 115.58 118.78 1jyo h ASN 115 Ca 0.04 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1jyo h ASN 115 Cb 0.42 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1jyo h ASN 115 CO 0.03 1.10 0.05 -0.61 -1.65 0.00 0.00 177.43 176.35 1jyo h GLN 116 N 0.30 0.93 -0.45 0.81 5.75 -0.53 -1.87 115.11 120.05 1jyo h GLN 116 Ca -0.04 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1jyo h GLN 116 Cb 1.33 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 1jyo h GLN 116 CO 0.13 0.92 0.19 0.37 -2.65 0.00 0.00 178.83 177.79 1jyo h GLN 117 N 0.81 0.38 -0.69 1.69 4.15 -0.87 -0.71 115.11 119.87 1jyo h GLN 117 Ca 0.16 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1jyo h GLN 117 Cb 0.46 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1jyo h GLN 117 CO 0.02 0.25 0.16 1.49 -1.93 0.00 0.00 178.83 178.82 1jyo h GLU 118 N 0.39 1.11 -0.46 1.69 4.81 -1.15 -0.84 114.58 120.13 1jyo h GLU 118 Ca 0.20 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1jyo h GLU 118 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1jyo h GLU 118 CO -0.18 0.98 0.08 0.00 -0.73 0.00 0.00 179.01 179.17 1jyo h ALA 119 N 1.11 0.61 -0.55 2.92 0.00 -0.82 -1.98 119.26 120.56 1jyo h ALA 119 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1jyo h ALA 119 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jyo h ALA 119 CO 0.00 0.33 -0.09 -0.07 0.00 0.00 0.00 179.25 179.42 1jyo h LEU 120 N 0.63 1.01 -1.00 0.00 3.38 -0.97 -2.45 115.31 115.91 1jyo h LEU 120 Ca 0.14 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1jyo h LEU 120 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jyo h LEU 120 CO 0.01 1.11 0.28 0.11 0.09 0.00 0.00 178.44 180.04 1jyo h LYS 121 N 0.91 1.00 -0.55 1.13 1.57 -1.00 0.13 116.57 119.76 1jyo h LYS 121 Ca 0.15 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1jyo h LYS 121 Cb 0.65 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1jyo h LYS 121 CO 0.04 0.81 0.12 -0.91 -0.57 0.00 0.00 179.45 178.94 1jyo h ASN 122 N 0.98 0.80 -0.02 0.86 2.35 -1.09 0.38 115.58 119.84 1jyo h ASN 122 Ca 0.23 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 1jyo h ASN 122 Cb 0.18 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1jyo h ASN 122 CO -0.02 0.79 -0.45 0.40 -1.65 0.00 0.00 177.43 176.50 1jyo h ILE 123 N 0.82 1.45 0.00 2.81 2.04 -0.97 -3.38 117.51 120.29 1jyo h ILE 123 Ca 0.18 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1jyo h ILE 123 Cb 0.32 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1jyo h ILE 123 CO 0.00 0.56 -0.70 0.18 0.00 0.00 0.00 178.15 178.19 1jyo n LEU 124 N -4.33 0.70 -0.33 1.44 4.77 0.40 -4.50 117.00 115.15 1jyo n LEU 124 Ca -0.10 -0.20 0.18 0.00 -0.03 0.00 0.00 56.01 55.87 1jyo n LEU 124 Cb 0.59 -0.15 0.43 0.00 -2.33 0.00 0.00 43.42 41.96 1jyo n LEU 124 CO 0.44 0.17 1.20 -0.61 -1.33 0.00 0.00 177.39 177.26 1jyo h GLN 125 N 0.00 0.54 0.00 3.23 5.75 -0.41 0.59 115.11 124.80 1jyo h GLN 125 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1jyo h GLN 125 Cb 0.50 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1jyo h GLN 125 CO 0.00 0.35 0.00 1.05 -2.65 0.00 0.00 178.83 177.58 1jyo h GLU 126 N 0.55 0.00 -0.01 1.69 4.11 -1.83 -0.94 114.58 118.15 1jyo h GLU 126 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1jyo h GLU 126 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jyo h GLU 126 CO -0.34 0.00 -0.49 0.66 0.07 0.00 0.00 179.01 178.91 1jyo n TYR 127 N -2.75 0.00 -1.81 2.06 0.53 0.20 -4.95 117.16 110.44 1jyo n TYR 127 Ca -0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.45 1jyo n TYR 127 Cb 0.07 -0.06 -0.01 0.00 -1.03 0.00 0.00 39.34 38.32 1jyo n TYR 127 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jyo s ALA 128 N -2.60 3.65 0.02 -0.72 0.00 -0.36 -4.75 121.76 117.00 1jyo s ALA 128 Ca 0.18 1.56 -0.25 0.00 0.00 0.00 0.00 51.96 53.46 1jyo s ALA 128 Cb 0.18 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1jyo s ALA 128 CO 0.61 -1.01 0.75 -1.59 0.00 0.00 0.00 175.76 174.52 1jyo s LYS 129 N -1.33 4.47 0.00 0.00 -2.85 -0.87 -5.02 119.74 114.14 1jyo s LYS 129 Ca 0.57 1.02 0.16 0.00 -1.00 0.00 0.00 55.97 56.72 1jyo s LYS 129 Cb -0.47 -3.38 0.93 0.00 -2.06 0.00 0.00 37.83 32.85 1jyo s LYS 129 CO 0.56 0.23 1.35 0.28 0.10 0.00 0.00 175.35 177.86