#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 n LYS 2 N 0.00 3.41 -1.55 2.12 4.81 -1.26 -4.03 118.16 121.65 1yl3 n LYS 2 Ca 0.00 -3.42 -0.24 0.00 -0.87 0.00 0.00 58.31 53.78 1yl3 n LYS 2 Cb 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 35.03 31.94 1yl3 n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1yl3 n VAL 3 N 4.14 -0.04 -2.82 3.15 0.31 -0.18 -2.97 118.33 119.91 1yl3 n VAL 3 Ca 0.42 -0.64 -0.43 0.00 -0.01 0.00 0.00 64.34 63.68 1yl3 n VAL 3 Cb 0.39 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 30.93 1yl3 n VAL 3 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1yl3 s ILE 4 N 13.58 4.47 0.12 2.52 1.01 -0.34 -0.76 121.20 141.80 1yl3 s ILE 4 Ca 0.96 -1.20 -0.34 0.00 0.00 0.00 0.00 60.65 60.06 1yl3 s ILE 4 Cb -0.16 -4.84 -0.17 0.00 0.01 0.00 0.00 42.46 37.30 1yl3 s ILE 4 CO 0.17 -1.61 1.03 2.22 0.00 0.00 0.00 174.94 176.74 1yl3 n PHE 5 N 7.30 0.78 -2.64 3.97 -0.00 -0.41 -0.95 117.46 125.51 1yl3 n PHE 5 Ca 0.23 0.85 -0.06 0.00 -0.00 0.00 0.00 57.45 58.46 1yl3 n PHE 5 Cb 0.49 -2.17 0.04 0.00 -0.00 0.00 0.00 39.48 37.85 1yl3 n PHE 5 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1yl3 n LEU 6 N 1.89 2.36 0.00 5.98 -0.00 0.30 -4.78 117.00 122.75 1yl3 n LEU 6 Ca 0.17 -3.49 0.00 0.00 -0.00 0.00 0.00 56.01 52.69 1yl3 n LEU 6 Cb 0.19 0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1yl3 n LEU 6 CO 0.60 1.33 0.00 1.17 -0.00 0.00 0.00 177.39 180.49 1yl3 n LYS 7 N -0.59 0.00 0.00 1.96 4.81 -1.24 -4.65 118.16 118.45 1yl3 n LYS 7 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1yl3 n LYS 7 Cb 0.84 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.89 1yl3 n LYS 7 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yl3 n ASP 8 N 0.00 0.00 0.00 3.14 9.92 -1.25 -0.36 116.55 128.01 1yl3 n ASP 8 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1yl3 n ASP 8 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1yl3 n ASP 8 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1yl3 n VAL 9 N 0.00 0.00 0.20 2.53 0.31 -1.26 -3.52 118.33 116.58 1yl3 n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1yl3 n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1yl3 n VAL 9 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1yl3 n LYS 10 N -1.96 0.00 0.00 5.55 2.85 -1.26 -5.05 118.16 118.29 1yl3 n LYS 10 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yl3 n LYS 10 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1yl3 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1yl3 n GLY 11 N -0.83 0.10 0.00 2.58 0.00 -1.23 -5.06 105.19 100.76 1yl3 n GLY 11 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yl3 n GLY 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yl3 n LYS 12 N -1.45 0.00 -0.85 1.61 0.00 -1.24 -3.89 118.16 112.34 1yl3 n LYS 12 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 58.31 58.14 1yl3 n LYS 12 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1yl3 n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yl3 n GLY 13 N 0.00 0.16 1.84 3.14 0.00 0.52 -3.70 105.19 107.15 1yl3 n GLY 13 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1yl3 n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yl3 n LYS 14 N 5.42 0.82 -4.05 1.61 5.02 -0.60 -4.58 118.16 121.80 1yl3 n LYS 14 Ca 0.19 -0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1yl3 n LYS 14 Cb 0.34 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 1yl3 n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yl3 s LYS 15 N 1.06 2.47 -0.52 1.97 3.01 -1.26 -4.75 119.74 121.71 1yl3 s LYS 15 Ca 0.13 -0.62 0.00 0.00 -1.01 0.00 0.00 55.97 54.47 1yl3 s LYS 15 Cb 0.06 -2.22 0.00 0.00 -1.01 0.00 0.00 37.83 34.67 1yl3 s LYS 15 CO 0.00 -0.23 0.00 0.41 0.51 0.00 0.00 175.35 176.04 1yl3 n GLY 16 N 4.73 0.28 3.36 -3.33 0.00 -1.26 -4.89 105.19 104.08 1yl3 n GLY 16 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1yl3 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yl3 n GLU 17 N -1.61 3.52 -3.62 1.61 1.02 -1.26 -5.00 120.64 115.30 1yl3 n GLU 17 Ca -0.05 -4.32 -0.38 0.00 -0.02 0.00 0.00 57.16 52.38 1yl3 n GLU 17 Cb 0.25 -2.66 -0.11 0.00 -0.02 0.00 0.00 31.44 28.89 1yl3 n GLU 17 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1yl3 s ILE 18 N -0.67 4.95 0.32 -3.67 2.07 -1.17 -1.28 121.20 121.74 1yl3 s ILE 18 Ca 0.34 -0.11 0.09 0.00 -1.41 0.00 0.00 60.65 59.56 1yl3 s ILE 18 Cb -0.08 -3.43 -0.05 0.00 0.13 0.00 0.00 42.46 39.03 1yl3 s ILE 18 CO -0.06 0.17 -0.00 -0.75 -1.91 0.00 0.00 174.94 172.39 1yl3 s LYS 19 N 1.69 2.12 -1.16 3.50 2.36 0.06 -4.75 119.74 123.55 1yl3 s LYS 19 Ca 0.06 -1.65 -0.13 0.00 -2.55 0.00 0.00 55.97 51.71 1yl3 s LYS 19 Cb -0.16 -1.99 0.20 0.00 -1.05 0.00 0.00 37.83 34.82 1yl3 s LYS 19 CO 0.08 0.21 1.32 -0.80 1.55 0.00 0.00 175.35 177.71 1yl3 s ASN 20 N -3.70 7.13 -0.18 1.43 0.01 -1.26 -1.01 114.94 117.37 1yl3 s ASN 20 Ca 0.34 -3.14 0.04 0.00 -0.71 0.00 0.00 52.86 49.38 1yl3 s ASN 20 Cb -0.02 -2.34 0.37 0.00 0.41 0.00 0.00 41.25 39.66 1yl3 s ASN 20 CO 0.19 -0.62 1.33 0.52 -1.51 0.00 0.00 177.10 177.02 1yl3 n VAL 21 N 4.06 1.82 -0.60 1.60 0.31 -1.26 -4.98 118.33 119.27 1yl3 n VAL 21 Ca 0.32 -0.86 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1yl3 n VAL 21 Cb 0.42 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1yl3 n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yl3 n ALA 22 N -0.07 -1.00 0.00 3.52 0.00 -1.26 -1.09 120.51 120.61 1yl3 n ALA 22 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1yl3 n ALA 22 Cb 0.95 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1yl3 n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yl3 n ASP 23 N -0.86 0.00 -0.29 0.00 9.92 -1.26 -1.11 116.55 122.94 1yl3 n ASP 23 Ca 0.00 0.00 0.34 0.00 -0.53 0.00 0.00 54.79 54.60 1yl3 n ASP 23 Cb 0.00 0.00 0.73 0.00 -0.64 0.00 0.00 41.12 41.21 1yl3 n ASP 23 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1yl3 h GLY 24 N 0.00 0.00 0.00 0.44 0.00 -1.97 -0.53 103.07 101.01 1yl3 h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yl3 h GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1yl3 n TYR 25 N -3.99 0.00 -0.29 5.60 0.53 -1.13 -0.75 117.16 117.13 1yl3 n TYR 25 Ca 0.25 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.20 1yl3 n TYR 25 Cb 1.27 0.00 0.19 0.00 -1.03 0.00 0.00 39.34 39.77 1yl3 n TYR 25 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yl3 h ALA 26 N -2.57 0.86 -2.28 -0.72 0.00 0.50 -1.38 119.26 113.67 1yl3 h ALA 26 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yl3 h ALA 26 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yl3 h ALA 26 CO 0.00 -0.45 0.00 -1.71 0.00 0.00 0.00 179.25 177.09 1yl3 n ASN 27 N -5.41 0.00 0.26 0.00 2.85 -0.23 -0.77 115.26 111.96 1yl3 n ASN 27 Ca 0.16 0.18 -0.16 0.00 -0.11 0.00 0.00 54.58 54.66 1yl3 n ASN 27 Cb 0.54 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.48 1yl3 n ASN 27 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1yl3 h ASN 28 N 0.00 -0.62 0.15 1.20 -0.73 -0.32 -1.22 115.58 114.04 1yl3 h ASN 28 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1yl3 h ASN 28 Cb 0.00 0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1yl3 h ASN 28 CO 0.00 -0.41 -0.30 2.19 -0.37 0.00 0.00 177.43 178.54 1yl3 h PHE 29 N -0.66 -0.85 0.79 0.67 -0.00 -1.15 -0.86 116.94 114.87 1yl3 h PHE 29 Ca -0.05 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 57.90 1yl3 h PHE 29 Cb 0.53 0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.83 1yl3 h PHE 29 CO -0.08 -0.36 -0.44 -0.07 -0.00 0.00 0.00 178.31 177.37 1yl3 h LEU 30 N -0.49 -1.08 0.00 2.10 3.38 -0.98 -0.67 115.31 117.58 1yl3 h LEU 30 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yl3 h LEU 30 Cb 0.46 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1yl3 h LEU 30 CO -0.12 -0.70 -0.89 0.49 0.09 0.00 0.00 178.44 177.31 1yl3 n PHE 31 N -5.59 0.40 0.47 1.13 3.72 -0.46 -1.13 117.46 116.00 1yl3 n PHE 31 Ca -0.15 0.12 -0.19 0.00 -0.05 0.00 0.00 57.45 57.18 1yl3 n PHE 31 Cb 0.47 -0.54 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 1yl3 n PHE 31 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1yl3 h LYS 32 N 0.00 -1.15 0.00 -1.08 1.79 -1.16 -1.24 116.57 113.74 1yl3 h LYS 32 Ca 0.00 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1yl3 h LYS 32 Cb 0.75 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1yl3 h LYS 32 CO 0.00 -0.76 0.00 1.04 -1.08 0.00 0.00 179.45 178.65 1yl3 n GLN 33 N -5.58 0.00 0.00 3.15 6.02 -0.26 -4.78 117.38 115.93 1yl3 n GLN 33 Ca -0.15 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1yl3 n GLN 33 Cb 0.47 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.89 1yl3 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yl3 n GLY 34 N -0.95 0.62 0.89 1.08 0.00 -0.28 -5.07 105.19 101.48 1yl3 n GLY 34 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1yl3 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yl3 n LEU 35 N 0.00 -0.05 0.00 0.99 4.77 -1.20 -5.01 117.00 116.50 1yl3 n LEU 35 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1yl3 n LEU 35 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yl3 n LEU 35 CO 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 177.39 176.93 1yl3 n ALA 36 N 0.12 0.00 -2.93 -1.18 0.00 -1.26 -0.54 120.51 114.73 1yl3 n ALA 36 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1yl3 n ALA 36 Cb 0.76 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.15 1yl3 n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yl3 s ILE 37 N -2.90 0.00 0.22 0.00 1.09 -0.12 -4.82 121.20 114.67 1yl3 s ILE 37 Ca 0.00 -1.56 -0.14 0.00 -1.10 0.00 0.00 60.65 57.85 1yl3 s ILE 37 Cb 0.00 -2.32 -0.08 0.00 -1.06 0.00 0.00 42.46 39.01 1yl3 s ILE 37 CO 0.00 0.00 0.61 -1.61 -0.10 0.00 0.00 174.94 173.84 1yl3 s GLU 38 N -3.95 3.97 0.00 2.79 2.02 -1.26 -1.20 118.70 121.07 1yl3 s GLU 38 Ca 0.27 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.78 1yl3 s GLU 38 Cb 0.01 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1yl3 s GLU 38 CO 0.11 0.35 0.00 0.00 0.02 0.00 0.00 175.26 175.74 1yl3 n ALA 39 N 0.27 0.00 -2.33 5.21 0.00 -1.16 -4.75 120.51 117.75 1yl3 n ALA 39 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1yl3 n ALA 39 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1yl3 n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1yl3 n THR 40 N -1.58 -8.20 -0.40 0.00 -1.04 -1.26 -1.37 114.28 100.43 1yl3 n THR 40 Ca 0.00 1.89 0.34 0.00 -2.04 0.00 0.00 64.05 64.24 1yl3 n THR 40 Cb 0.00 -4.43 0.61 0.00 -1.82 0.00 0.00 70.33 64.69 1yl3 n THR 40 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1yl3 h PRO 41 N 4.26 0.09 -0.68 -2.82 0.13 -2.00 4.32 132.00 135.30 1yl3 h PRO 41 Ca -0.07 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.18 1yl3 h PRO 41 Cb 0.16 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.22 1yl3 h PRO 41 CO 0.00 0.06 0.46 0.00 -0.23 0.00 0.00 178.00 178.29 1yl3 h ALA 42 N 1.74 2.11 0.00 -0.56 0.00 -1.95 -1.06 119.26 119.54 1yl3 h ALA 42 Ca 0.82 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.68 1yl3 h ALA 42 Cb 2.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 1yl3 h ALA 42 CO -0.54 -0.28 -2.01 0.09 0.00 0.00 0.00 179.25 176.51 1yl3 n ASN 43 N -4.47 0.03 -0.06 0.00 5.03 1.41 -1.07 115.26 116.14 1yl3 n ASN 43 Ca 0.12 0.01 -0.08 0.00 0.87 0.00 0.00 54.58 55.51 1yl3 n ASN 43 Cb 0.48 1.81 -0.01 0.00 -1.02 0.00 0.00 39.78 41.03 1yl3 n ASN 43 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1yl3 h LEU 44 N 0.00 -0.06 0.01 3.41 3.38 0.10 0.41 115.31 122.56 1yl3 h LEU 44 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yl3 h LEU 44 Cb 1.16 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1yl3 h LEU 44 CO 0.00 0.00 -0.03 0.11 0.09 0.00 0.00 178.44 178.61 1yl3 h LYS 45 N 0.10 -0.05 -0.00 1.13 1.57 -1.25 -1.61 116.57 116.46 1yl3 h LYS 45 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1yl3 h LYS 45 Cb 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1yl3 h LYS 45 CO -0.19 -0.03 -0.00 0.00 -0.57 0.00 0.00 179.45 178.66 1yl3 n ALA 46 N -2.48 -0.00 -0.10 3.86 0.00 -0.23 0.65 120.51 122.21 1yl3 n ALA 46 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1yl3 n ALA 46 Cb 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 1yl3 n ALA 46 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1yl3 h LEU 47 N 0.00 -1.28 -1.31 0.00 8.10 -0.70 0.53 115.31 120.65 1yl3 h LEU 47 Ca 0.00 0.20 0.10 0.00 0.11 0.00 0.00 57.88 58.29 1yl3 h LEU 47 Cb 0.00 0.57 -0.06 0.00 -0.44 0.00 0.00 40.66 40.73 1yl3 h LEU 47 CO -0.00 -0.36 0.54 -0.08 -4.11 0.00 0.00 178.44 174.42 1yl3 h GLU 48 N -0.33 0.74 0.02 0.17 4.57 0.12 -1.33 114.58 118.54 1yl3 h GLU 48 Ca 0.14 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1yl3 h GLU 48 Cb 0.58 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1yl3 h GLU 48 CO -0.53 0.49 -0.01 0.00 -1.18 0.00 0.00 179.01 177.78 1yl3 h ALA 49 N 1.59 -1.00 -0.78 2.92 0.00 0.22 -0.89 119.26 121.32 1yl3 h ALA 49 Ca 0.38 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.35 1yl3 h ALA 49 Cb 0.46 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1yl3 h ALA 49 CO -0.15 -0.99 0.51 0.37 0.00 0.00 0.00 179.25 178.99 1yl3 h GLN 50 N -0.03 0.82 0.26 0.00 4.15 -1.02 -0.33 115.11 118.96 1yl3 h GLN 50 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1yl3 h GLN 50 Cb 0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1yl3 h GLN 50 CO 0.00 0.54 -0.28 0.87 -1.93 0.00 0.00 178.83 178.03 1yl3 h LYS 51 N 0.84 -0.56 -0.60 1.69 1.57 -1.25 -0.42 116.57 117.84 1yl3 h LYS 51 Ca 0.34 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.21 1yl3 h LYS 51 Cb 0.24 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 1yl3 h LYS 51 CO -0.12 -0.38 -0.42 1.96 -0.57 0.00 0.00 179.45 179.92 1yl3 h GLN 52 N -0.58 -0.09 -0.93 3.15 4.20 0.06 -0.24 115.11 120.68 1yl3 h GLN 52 Ca -0.01 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1yl3 h GLN 52 Cb 0.54 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.18 1yl3 h GLN 52 CO -0.07 -0.06 -0.31 0.87 -0.67 0.00 0.00 178.83 178.59 1yl3 h LYS 53 N -0.09 -0.02 -0.55 1.46 1.79 -0.09 1.29 116.57 120.36 1yl3 h LYS 53 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1yl3 h LYS 53 Cb 0.34 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 1yl3 h LYS 53 CO -0.61 -0.01 0.36 0.93 -1.08 0.00 0.00 179.45 179.04 1yl3 h GLU 54 N -0.02 0.72 -0.40 3.15 4.39 0.30 -1.01 114.58 121.71 1yl3 h GLU 54 Ca 0.38 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.06 1yl3 h GLU 54 Cb 0.64 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1yl3 h GLU 54 CO -0.95 0.48 0.24 1.96 -1.16 0.00 0.00 179.01 179.58 1yl3 h GLN 55 N 0.74 0.46 -0.13 2.33 4.20 0.32 0.01 115.11 123.05 1yl3 h GLN 55 Ca 0.20 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1yl3 h GLN 55 Cb -0.08 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1yl3 h GLN 55 CO -0.04 0.31 -0.10 0.00 -0.67 0.00 0.00 178.83 178.33 1yl3 h ARG 56 N 0.48 -0.10 -0.17 1.46 3.08 -0.21 -0.62 114.38 118.29 1yl3 h ARG 56 Ca 0.16 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.25 1yl3 h ARG 56 Cb 0.01 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 1yl3 h ARG 56 CO -0.08 -0.07 -0.54 1.96 -1.07 0.00 0.00 179.97 180.17 1yl3 h GLN 57 N -0.11 -0.53 0.09 0.04 7.50 -0.66 0.01 115.11 121.45 1yl3 h GLN 57 Ca 0.08 0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.27 1yl3 h GLN 57 Cb 0.23 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1yl3 h GLN 57 CO -0.20 -0.36 -0.13 0.00 -1.50 0.00 0.00 178.83 176.65 1yl3 h ALA 58 N -0.28 -0.78 -0.44 3.87 0.00 -0.72 -0.05 119.26 120.87 1yl3 h ALA 58 Ca 0.04 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1yl3 h ALA 58 Cb 0.66 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1yl3 h ALA 58 CO -0.45 -0.80 -0.18 0.00 0.00 0.00 0.00 179.25 177.81 1yl3 h ALA 59 N -1.46 0.16 -0.41 0.00 0.00 -1.15 -0.54 119.26 115.86 1yl3 h ALA 59 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1yl3 h ALA 59 Cb 0.20 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1yl3 h ALA 59 CO -0.04 -0.53 -0.26 1.49 0.00 0.00 0.00 179.25 179.92 1yl3 h GLU 60 N -0.09 -0.02 -0.74 0.00 4.81 -0.79 0.66 114.58 118.41 1yl3 h GLU 60 Ca 0.21 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1yl3 h GLU 60 Cb 0.42 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1yl3 h GLU 60 CO -0.50 -0.01 0.48 0.93 -0.73 0.00 0.00 179.01 179.18 1yl3 h GLU 61 N -0.02 0.69 -0.66 1.92 3.07 -0.44 0.73 114.58 119.87 1yl3 h GLU 61 Ca 0.07 -0.04 0.13 0.00 -0.50 0.00 0.00 59.36 59.01 1yl3 h GLU 61 Cb 0.19 -0.16 -0.13 0.00 -0.84 0.00 0.00 28.75 27.82 1yl3 h GLU 61 CO -0.39 0.46 -0.24 -0.07 -1.40 0.00 0.00 179.01 177.36 1yl3 h LEU 62 N 0.71 -0.87 0.92 1.33 3.38 0.19 -0.57 115.31 120.40 1yl3 h LEU 62 Ca 0.33 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.47 1yl3 h LEU 62 Cb 0.36 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1yl3 h LEU 62 CO -0.11 -0.26 -0.49 0.00 0.09 0.00 0.00 178.44 177.66 1yl3 h ALA 63 N 1.41 -1.33 -0.93 1.53 0.00 0.19 -0.19 119.26 119.94 1yl3 h ALA 63 Ca 0.30 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1yl3 h ALA 63 Cb 0.53 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 1yl3 h ALA 63 CO -0.71 -1.26 -0.23 0.09 0.00 0.00 0.00 179.25 177.15 1yl3 n ASN 64 N -5.65 -0.33 0.00 0.00 5.03 -0.42 -0.69 115.26 113.19 1yl3 n ASN 64 Ca -0.16 1.60 0.00 0.00 0.87 0.00 0.00 54.58 56.89 1yl3 n ASN 64 Cb 0.53 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 1yl3 n ASN 64 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1yl3 n ALA 65 N -3.64 0.00 -0.23 5.41 0.00 -0.26 -1.59 120.51 120.20 1yl3 n ALA 65 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1yl3 n ALA 65 Cb 0.47 0.09 0.26 0.00 0.00 0.00 0.00 19.45 20.27 1yl3 n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yl3 n LYS 66 N -0.54 -0.05 0.46 0.00 5.02 0.13 -0.40 118.16 122.79 1yl3 n LYS 66 Ca 0.00 0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 57.08 1yl3 n LYS 66 Cb 0.00 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.28 1yl3 n LYS 66 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1yl3 h LYS 67 N 0.00 -1.17 -0.77 1.97 1.79 -0.83 -0.45 116.57 117.12 1yl3 h LYS 67 Ca 0.46 0.08 0.12 0.00 -2.18 0.00 0.00 60.65 59.13 1yl3 h LYS 67 Cb 1.05 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 1yl3 h LYS 67 CO -0.60 -0.78 0.51 -0.07 -1.08 0.00 0.00 179.45 177.42 1yl3 h LEU 68 N -1.21 0.54 0.00 2.94 3.38 0.29 -2.15 115.31 119.09 1yl3 h LEU 68 Ca -0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1yl3 h LEU 68 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1yl3 h LEU 68 CO 0.16 0.30 0.00 1.17 0.09 0.00 0.00 178.44 180.16 1yl3 n LYS 69 N -4.50 0.00 -0.16 1.13 4.81 0.38 -1.23 118.16 118.58 1yl3 n LYS 69 Ca 0.14 0.71 -0.09 0.00 -0.87 0.00 0.00 58.31 58.20 1yl3 n LYS 69 Cb 0.41 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1yl3 n LYS 69 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1yl3 h GLU 70 N 0.00 0.73 0.15 1.64 -0.00 -1.07 -0.15 114.58 115.87 1yl3 h GLU 70 Ca 0.00 -0.15 0.01 0.00 -0.00 0.00 0.00 59.36 59.22 1yl3 h GLU 70 Cb 0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 28.75 28.60 1yl3 h GLU 70 CO 0.00 0.69 -0.47 1.96 -0.00 0.00 0.00 179.01 181.18 1yl3 h GLN 71 N 0.62 -0.70 0.09 1.06 4.20 -1.34 -0.76 115.11 118.28 1yl3 h GLN 71 Ca 0.15 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1yl3 h GLN 71 Cb 0.26 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1yl3 h GLN 71 CO -0.01 -0.47 -0.04 -0.07 -0.67 0.00 0.00 178.83 177.57 1yl3 h LEU 72 N -0.73 -0.10 -0.98 1.46 3.38 -1.15 -1.30 115.31 115.89 1yl3 h LEU 72 Ca 0.00 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.30 1yl3 h LEU 72 Cb 0.73 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 1yl3 h LEU 72 CO -0.25 -0.07 0.47 -0.33 0.09 0.00 0.00 178.44 178.35 1yl3 h GLU 73 N -0.12 0.21 0.59 1.13 5.08 -0.75 0.11 114.58 120.83 1yl3 h GLU 73 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1yl3 h GLU 73 Cb 0.09 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1yl3 h GLU 73 CO 0.02 0.14 -0.28 0.87 -1.00 0.00 0.00 179.01 178.76 1yl3 h LYS 74 N 0.22 -0.77 0.00 2.33 1.57 -0.22 -3.47 116.57 116.24 1yl3 h LYS 74 Ca 0.72 0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 59.44 1yl3 h LYS 74 Cb 1.66 0.17 0.06 0.00 0.08 0.00 0.00 32.23 34.21 1yl3 h LYS 74 CO -0.67 -0.51 -0.05 -0.11 -0.57 0.00 0.00 179.45 177.54 1yl3 n LEU 75 N -5.05 0.00 -4.13 2.94 -0.00 0.37 -5.01 117.00 106.12 1yl3 n LEU 75 Ca -0.10 -0.25 -0.30 0.00 -0.00 0.00 0.00 56.01 55.36 1yl3 n LEU 75 Cb 0.31 -0.62 -0.17 0.00 -0.00 0.00 0.00 43.42 42.95 1yl3 n LEU 75 CO 0.24 -2.20 -0.52 0.42 -0.00 0.00 0.00 177.39 175.33 1yl3 s THR 76 N -1.94 1.75 -0.76 1.96 -4.23 -1.26 -4.77 115.64 106.38 1yl3 s THR 76 Ca 0.19 -0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 59.63 1yl3 s THR 76 Cb -0.03 -1.55 -0.00 0.00 1.34 0.00 0.00 72.50 72.25 1yl3 s THR 76 CO 0.16 0.49 1.65 -0.69 -0.54 0.00 0.00 174.62 175.69 1yl3 s VAL 77 N 0.73 3.56 -0.57 2.29 1.01 -0.50 -4.98 120.40 121.94 1yl3 s VAL 77 Ca -0.11 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1yl3 s VAL 77 Cb -0.16 -4.40 0.11 0.00 0.00 0.00 0.00 36.38 31.93 1yl3 s VAL 77 CO 0.02 -1.35 0.63 0.42 0.00 0.00 0.00 175.10 174.82 1yl3 s THR 78 N 7.69 4.96 -0.13 3.92 -4.23 -1.26 -0.88 115.64 125.72 1yl3 s THR 78 Ca 0.55 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1yl3 s THR 78 Cb -0.08 -4.43 0.02 0.00 1.34 0.00 0.00 72.50 69.35 1yl3 s THR 78 CO 0.10 -1.02 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.43 1yl3 s ILE 79 N 2.29 1.24 -0.22 2.99 1.09 -0.30 -4.94 121.20 123.36 1yl3 s ILE 79 Ca 0.08 -0.42 -0.15 0.00 -1.10 0.00 0.00 60.65 59.06 1yl3 s ILE 79 Cb -0.26 -1.21 -0.04 0.00 -1.06 0.00 0.00 42.46 39.89 1yl3 s ILE 79 CO 0.05 0.40 0.34 -2.84 -0.10 0.00 0.00 174.94 172.80 1yl3 s PRO 80 N 1.60 4.13 0.22 2.79 0.02 -1.26 -1.27 135.00 141.23 1yl3 s PRO 80 Ca 0.04 0.08 0.01 0.00 0.02 0.00 0.00 61.00 61.15 1yl3 s PRO 80 Cb -0.13 -3.55 -0.00 0.00 0.02 0.00 0.00 34.50 30.84 1yl3 s PRO 80 CO -0.09 -0.05 0.28 0.00 -0.33 0.00 0.00 177.00 176.81 1yl3 n ALA 81 N 4.54 -0.02 -2.65 -1.55 0.00 0.07 -4.89 120.51 116.01 1yl3 n ALA 81 Ca -0.10 -1.11 -0.29 0.00 0.00 0.00 0.00 53.44 51.94 1yl3 n ALA 81 Cb 0.51 0.89 -0.08 0.00 0.00 0.00 0.00 19.45 20.77 1yl3 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yl3 s LYS 82 N -2.62 2.40 0.00 0.00 1.02 -1.26 -1.25 119.74 118.03 1yl3 s LYS 82 Ca 0.21 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1yl3 s LYS 82 Cb -0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1yl3 s LYS 82 CO 0.15 0.52 0.00 0.00 -0.92 0.00 0.00 175.35 175.09 1yl3 n ALA 83 N 0.49 0.00 -0.27 5.17 0.00 -1.26 -1.53 120.51 123.12 1yl3 n ALA 83 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1yl3 n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1yl3 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl3 n GLY 84 N 0.00 -0.13 2.63 0.00 0.00 -1.26 -4.83 105.19 101.60 1yl3 n GLY 84 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1yl3 n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yl3 n GLU 85 N -2.10 1.17 0.00 1.61 1.02 -1.26 -5.00 120.64 116.08 1yl3 n GLU 85 Ca 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 1yl3 n GLU 85 Cb 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 1yl3 n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yl3 n GLY 86 N -1.02 -0.38 2.93 0.62 0.00 -1.26 -5.11 105.19 100.97 1yl3 n GLY 86 Ca -0.11 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1yl3 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yl3 s ARG 88 N 0.00 1.53 0.67 1.61 0.52 -0.90 -1.82 118.95 120.56 1yl3 s ARG 88 Ca 0.00 -0.28 -0.17 0.00 -0.52 0.00 0.00 55.73 54.76 1yl3 s ARG 88 Cb 0.00 -1.51 -0.02 0.00 0.52 0.00 0.00 34.95 33.94 1yl3 s ARG 88 CO 0.00 -0.20 0.92 1.28 0.02 0.00 0.00 175.30 177.33 1yl3 n LEU 89 N 4.66 3.39 0.24 2.53 4.77 -0.20 -4.28 117.00 128.11 1yl3 n LEU 89 Ca -0.15 0.72 0.16 0.00 -0.03 0.00 0.00 56.01 56.71 1yl3 n LEU 89 Cb 0.50 -1.38 0.70 0.00 -2.33 0.00 0.00 43.42 40.91 1yl3 n LEU 89 CO 0.19 -2.06 0.98 -0.26 -1.33 0.00 0.00 177.39 174.90 1yl3 h PHE 90 N 0.05 0.00 -0.05 -1.77 -1.00 -1.60 -3.27 116.94 109.30 1yl3 h PHE 90 Ca -0.48 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.29 1yl3 h PHE 90 Cb 1.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.90 1yl3 h PHE 90 CO 0.38 0.00 -0.10 0.41 -1.61 0.00 0.00 178.31 177.39 1yl3 n GLY 91 N -0.17 4.83 1.24 -1.45 0.00 -1.26 -5.10 105.19 103.27 1yl3 n GLY 91 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1yl3 n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yl3 n SER 92 N -1.24 -3.13 -4.56 1.61 3.41 -1.24 -4.86 113.62 103.61 1yl3 n SER 92 Ca 0.18 0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 58.92 1yl3 n SER 92 Cb 0.70 -2.82 -0.10 0.00 -0.26 0.00 0.00 64.21 61.74 1yl3 n SER 92 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1yl3 s ILE 93 N -3.63 5.20 -0.23 -1.33 -4.36 0.04 -4.94 121.20 111.94 1yl3 s ILE 93 Ca 0.00 0.11 -0.05 0.00 -0.26 0.00 0.00 60.65 60.45 1yl3 s ILE 93 Cb 0.00 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 1yl3 s ILE 93 CO 0.00 -0.01 -0.01 0.28 0.24 0.00 0.00 174.94 175.44 1yl3 s THR 94 N 1.96 3.63 -0.53 8.37 -1.32 -1.26 -1.34 115.64 125.16 1yl3 s THR 94 Ca 0.11 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1yl3 s THR 94 Cb -0.16 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1yl3 s THR 94 CO 0.11 0.39 0.77 -0.24 -2.21 0.00 0.00 174.62 173.43 1yl3 n SER 95 N 4.83 0.00 0.11 8.08 2.88 -1.26 0.35 113.62 128.61 1yl3 n SER 95 Ca -0.17 0.26 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1yl3 n SER 95 Cb 0.51 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 1yl3 n SER 95 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1yl3 h LYS 96 N 0.00 -0.51 -0.89 -1.46 3.64 -1.92 2.07 116.57 117.49 1yl3 h LYS 96 Ca 0.00 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.59 1yl3 h LYS 96 Cb 0.47 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 1yl3 h LYS 96 CO 0.00 -0.34 0.45 1.96 -2.27 0.00 0.00 179.45 179.25 1yl3 h GLN 97 N -0.53 0.56 -0.01 1.90 4.20 0.57 -0.64 115.11 121.15 1yl3 h GLN 97 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yl3 h GLN 97 Cb 0.57 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1yl3 h GLN 97 CO -0.20 0.37 -0.02 0.82 -0.67 0.00 0.00 178.83 179.13 1yl3 h ILE 98 N 0.57 0.00 -0.61 2.54 2.04 0.47 -0.44 117.51 122.09 1yl3 h ILE 98 Ca 0.51 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.44 1yl3 h ILE 98 Cb 0.83 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1yl3 h ILE 98 CO -0.42 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.17 1yl3 h ALA 99 N -1.32 -0.69 -0.99 1.87 0.00 0.34 0.16 119.26 118.63 1yl3 h ALA 99 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1yl3 h ALA 99 Cb 0.03 1.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 1yl3 h ALA 99 CO -0.02 -1.01 -0.40 0.39 0.00 0.00 0.00 179.25 178.21 1yl3 n GLU 100 N -5.28 -0.25 0.00 0.00 1.02 -0.35 -0.99 120.64 114.79 1yl3 n GLU 100 Ca -0.02 1.52 0.00 0.00 -0.02 0.00 0.00 57.16 58.64 1yl3 n GLU 100 Cb 0.31 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1yl3 n GLU 100 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1yl3 n SER 101 N -5.43 0.00 -0.34 1.62 7.64 -0.12 -1.03 113.62 115.95 1yl3 n SER 101 Ca 0.09 0.65 0.07 0.00 1.01 0.00 0.00 58.87 60.69 1yl3 n SER 101 Cb 0.38 -0.29 0.15 0.00 -1.01 0.00 0.00 64.21 63.45 1yl3 n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yl3 n LEU 102 N -1.36 -0.32 0.34 -3.43 -0.00 0.38 0.12 117.00 112.73 1yl3 n LEU 102 Ca 0.00 1.65 -0.13 0.00 -0.00 0.00 0.00 56.01 57.53 1yl3 n LEU 102 Cb 0.00 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 42.84 1yl3 n LEU 102 CO 0.00 -1.59 0.41 1.56 -0.00 0.00 0.00 177.39 177.77 1yl3 h GLN 103 N 0.00 -0.85 -1.16 1.47 4.20 -1.03 0.63 115.11 118.37 1yl3 h GLN 103 Ca 0.48 0.06 0.41 0.00 0.06 0.00 0.00 58.65 59.65 1yl3 h GLN 103 Cb 0.77 0.19 -0.15 0.00 0.30 0.00 0.00 27.48 28.59 1yl3 h GLN 103 CO -0.98 -0.56 0.70 0.00 -0.67 0.00 0.00 178.83 177.32 1yl3 h ALA 104 N -1.40 2.41 0.00 3.87 0.00 0.26 0.97 119.26 125.37 1yl3 h ALA 104 Ca -0.09 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1yl3 h ALA 104 Cb 0.67 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1yl3 h ALA 104 CO 0.15 -1.08 -1.62 1.04 0.00 0.00 0.00 179.25 177.74 1yl3 n GLN 105 N -4.94 0.98 0.04 0.00 3.00 0.38 -4.69 117.38 112.15 1yl3 n GLN 105 Ca 0.36 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 1yl3 n GLN 105 Cb 1.30 -1.22 0.04 0.00 0.00 0.00 0.00 30.24 30.36 1yl3 n GLN 105 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1yl3 n HIS 106 N -2.67 0.36 0.00 1.08 8.25 0.18 -5.01 115.22 117.42 1yl3 n HIS 106 Ca -0.18 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1yl3 n HIS 106 Cb 0.73 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1yl3 n HIS 106 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yl3 n GLY 107 N 1.34 3.44 3.88 -1.41 0.00 0.33 -5.00 105.19 107.78 1yl3 n GLY 107 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1yl3 n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yl3 s LEU 108 N 0.00 4.01 -0.48 0.99 0.20 -1.26 -4.90 118.68 117.25 1yl3 s LEU 108 Ca 0.00 1.02 -0.17 0.00 0.69 0.00 0.00 54.13 55.67 1yl3 s LEU 108 Cb 0.00 -3.84 0.06 0.00 -0.43 0.00 0.00 46.19 41.98 1yl3 s LEU 108 CO 0.00 -0.24 0.47 -0.54 -0.29 0.00 0.00 176.35 175.75 1yl3 s LYS 109 N -3.37 3.03 -0.03 1.98 -0.14 -1.26 -3.22 119.74 116.74 1yl3 s LYS 109 Ca 0.49 -1.14 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 1yl3 s LYS 109 Cb -0.11 -4.10 0.02 0.00 -1.68 0.00 0.00 37.83 31.96 1yl3 s LYS 109 CO 0.26 -1.06 -0.04 -1.17 -0.76 0.00 0.00 175.35 172.58 1yl3 s LEU 110 N 1.99 1.44 0.00 3.17 0.20 -1.26 -5.11 118.68 119.11 1yl3 s LEU 110 Ca 0.08 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.81 1yl3 s LEU 110 Cb -0.22 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1yl3 s LEU 110 CO 0.09 -0.04 0.00 -0.67 -0.29 0.00 0.00 176.35 175.44 1yl3 n ASP 111 N 3.83 0.00 0.05 3.68 4.64 -1.26 -4.72 116.55 122.77 1yl3 n ASP 111 Ca -0.23 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.18 1yl3 n ASP 111 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 1yl3 n ASP 111 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 1yl3 n LYS 112 N 0.00 0.00 0.22 -0.67 0.00 -1.26 -4.72 118.16 111.74 1yl3 n LYS 112 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1yl3 n LYS 112 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 35.03 35.23 1yl3 n LYS 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yl3 h ARG 113 N 0.00 0.00 0.00 -1.58 2.47 -1.99 -3.37 114.38 109.92 1yl3 h ARG 113 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1yl3 h ARG 113 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1yl3 h ARG 113 CO 0.00 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.16 1yl3 n LYS 114 N -2.14 2.36 -0.13 0.04 4.76 -1.26 -4.91 118.16 116.87 1yl3 n LYS 114 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1yl3 n LYS 114 Cb 0.64 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.83 1yl3 n LYS 114 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1yl3 n ILE 115 N 0.00 0.00 -3.95 -0.18 5.41 -1.16 -4.75 119.36 114.74 1yl3 n ILE 115 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.48 1yl3 n ILE 115 Cb 0.00 -0.01 -0.17 0.00 -0.71 0.00 0.00 39.64 38.75 1yl3 n ILE 115 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1yl3 s GLU 116 N -1.42 1.71 -0.13 0.38 2.02 -0.15 -4.01 118.70 117.09 1yl3 s GLU 116 Ca 0.00 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 1yl3 s GLU 116 Cb 0.00 -1.70 0.07 0.00 0.10 0.00 0.00 34.13 32.59 1yl3 s GLU 116 CO 0.00 -0.25 0.27 -0.51 0.02 0.00 0.00 175.26 174.78 1yl3 s LEU 117 N 1.63 -0.31 0.17 1.80 1.43 -1.26 -4.37 118.68 117.77 1yl3 s LEU 117 Ca 0.05 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 1yl3 s LEU 117 Cb -0.13 0.71 0.12 0.00 0.03 0.00 0.00 46.19 46.92 1yl3 s LEU 117 CO -0.09 -0.24 1.70 0.00 0.23 0.00 0.00 176.35 177.95 1yl3 h ALA 118 N 8.29 0.39 0.00 4.21 0.00 -2.00 -3.46 119.26 126.68 1yl3 h ALA 118 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yl3 h ALA 118 Cb 1.11 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yl3 h ALA 118 CO 0.14 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 178.61 1yl3 n ASP 119 N -5.19 0.00 -4.61 0.00 5.75 -1.26 -5.14 116.55 106.10 1yl3 n ASP 119 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.38 1yl3 n ASP 119 Cb 0.21 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1yl3 n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yl3 n ALA 120 N 0.00 0.15 -2.43 2.12 0.00 -1.26 -4.99 120.51 114.09 1yl3 n ALA 120 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1yl3 n ALA 120 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 1yl3 n ALA 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yl3 s ILE 121 N -1.18 2.54 0.00 0.00 1.09 -0.45 -4.84 121.20 118.36 1yl3 s ILE 121 Ca 0.60 -1.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.49 1yl3 s ILE 121 Cb -0.61 -2.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 1yl3 s ILE 121 CO 0.59 -0.06 0.00 -1.14 -0.10 0.00 0.00 174.94 174.23 1yl3 n ARG 122 N -1.24 0.00 -1.64 2.79 0.63 -1.26 -0.78 116.66 115.16 1yl3 n ARG 122 Ca -0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 1yl3 n ARG 122 Cb 0.63 -0.15 -0.01 0.00 0.45 0.00 0.00 32.46 33.38 1yl3 n ARG 122 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yl3 n ALA 123 N 0.00 6.44 -0.20 5.13 0.00 -1.15 -1.04 120.51 129.70 1yl3 n ALA 123 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1yl3 n ALA 123 Cb 0.19 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1yl3 n ALA 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yl3 n LEU 124 N 0.26 0.00 0.00 0.00 7.94 -0.76 -4.86 117.00 119.58 1yl3 n LEU 124 Ca 0.51 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1yl3 n LEU 124 Cb 0.43 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1yl3 n LEU 124 CO 0.41 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 1yl3 n GLY 125 N -0.83 1.33 3.55 -3.96 0.00 2.73 -4.39 105.19 103.63 1yl3 n GLY 125 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1yl3 n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yl3 s TYR 126 N 0.00 1.67 -0.10 1.61 1.51 -1.22 -2.54 117.35 118.28 1yl3 s TYR 126 Ca 0.00 0.80 -0.18 0.00 -1.01 0.00 0.00 57.07 56.68 1yl3 s TYR 126 Cb 0.00 -4.03 0.04 0.00 -0.11 0.00 0.00 41.96 37.87 1yl3 s TYR 126 CO 0.00 -2.07 0.45 0.99 -1.11 0.00 0.00 175.55 173.81 1yl3 s THR 127 N 9.81 0.02 0.26 -0.71 2.01 -0.35 -5.02 115.64 121.66 1yl3 s THR 127 Ca 0.71 -0.15 0.12 0.00 0.31 0.00 0.00 61.69 62.67 1yl3 s THR 127 Cb -0.10 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1yl3 s THR 127 CO 0.12 -0.08 -0.19 0.54 -0.69 0.00 0.00 174.62 174.31 1yl3 s ASN 128 N -0.49 3.65 -0.10 3.53 4.22 -1.26 -1.01 114.94 123.48 1yl3 s ASN 128 Ca -0.06 -0.95 0.04 0.00 -2.14 0.00 0.00 52.86 49.75 1yl3 s ASN 128 Cb -0.03 -0.35 0.00 0.00 1.28 0.00 0.00 41.25 42.15 1yl3 s ASN 128 CO 0.03 0.06 -0.23 -0.69 -2.04 0.00 0.00 177.10 174.24 1yl3 s VAL 129 N -2.27 1.96 -0.32 3.54 1.01 0.12 -4.89 120.40 119.55 1yl3 s VAL 129 Ca 0.28 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1yl3 s VAL 129 Cb -0.06 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1yl3 s VAL 129 CO 0.14 0.54 0.86 -2.16 0.00 0.00 0.00 175.10 174.47 1yl3 s PRO 130 N 0.40 3.96 -0.30 2.72 0.04 -1.26 -0.87 135.00 139.69 1yl3 s PRO 130 Ca -0.18 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 1yl3 s PRO 130 Cb -0.18 -3.74 0.05 0.00 0.04 0.00 0.00 34.50 30.67 1yl3 s PRO 130 CO 0.08 -0.76 0.00 0.08 0.04 0.00 0.00 177.00 176.44 1yl3 s VAL 131 N 3.14 3.01 0.84 -0.36 1.01 -0.03 -0.98 120.40 127.04 1yl3 s VAL 131 Ca 0.35 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1yl3 s VAL 131 Cb -0.13 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1yl3 s VAL 131 CO 0.14 -0.11 0.97 0.29 0.00 0.00 0.00 175.10 176.38 1yl3 n LYS 132 N 4.63 0.02 0.15 2.72 5.02 -1.26 -1.01 118.16 128.43 1yl3 n LYS 132 Ca -0.13 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1yl3 n LYS 132 Cb 0.43 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1yl3 n LYS 132 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yl3 n LEU 133 N -2.68 -1.57 -4.04 -0.35 4.77 -1.26 -2.97 117.00 108.90 1yl3 n LEU 133 Ca 0.12 0.54 -0.24 0.00 -0.03 0.00 0.00 56.01 56.39 1yl3 n LEU 133 Cb 0.51 1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 43.05 1yl3 n LEU 133 CO 0.49 -0.35 -0.47 -2.28 -1.33 0.00 0.00 177.39 173.46 1yl3 s HIS 134 N -2.00 1.41 0.00 -1.77 5.04 -0.28 -5.01 115.29 112.68 1yl3 s HIS 134 Ca 0.00 -0.47 0.00 0.00 -1.54 0.00 0.00 55.06 53.05 1yl3 s HIS 134 Cb 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 32.58 31.61 1yl3 s HIS 134 CO 0.00 -0.23 0.00 -0.35 -2.34 0.00 0.00 174.74 171.82 1yl3 n PRO 135 N 3.63 0.00 0.00 2.88 -0.04 -1.26 -0.59 135.00 139.62 1yl3 n PRO 135 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1yl3 n PRO 135 Cb 0.52 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1yl3 n PRO 135 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yl3 n GLU 136 N -0.12 0.00 -3.63 0.54 4.71 -1.26 -5.08 120.64 115.79 1yl3 n GLU 136 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 1yl3 n GLU 136 Cb 0.00 -0.04 -0.07 0.00 -1.01 0.00 0.00 31.44 30.32 1yl3 n GLU 136 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1yl3 s VAL 137 N 0.00 -0.00 0.00 2.62 -7.23 0.24 -5.17 120.40 110.86 1yl3 s VAL 137 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1yl3 s VAL 137 Cb 0.00 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.95 1yl3 s VAL 137 CO 0.00 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.14 1yl3 n THR 138 N 2.81 0.00 -3.94 5.32 -2.24 -1.26 -1.13 114.28 113.84 1yl3 n THR 138 Ca -0.14 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.42 1yl3 n THR 138 Cb 0.55 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.61 1yl3 n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yl3 s ALA 139 N -1.53 0.69 -0.25 6.98 0.00 -0.18 -4.89 121.76 122.58 1yl3 s ALA 139 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1yl3 s ALA 139 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1yl3 s ALA 139 CO 0.00 -0.25 0.47 0.99 0.00 0.00 0.00 175.76 176.97 1yl3 s THR 140 N 1.47 5.11 0.26 0.00 2.01 -1.26 -0.85 115.64 122.38 1yl3 s THR 140 Ca -0.03 0.79 0.04 0.00 0.31 0.00 0.00 61.69 62.80 1yl3 s THR 140 Cb -0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1yl3 s THR 140 CO -0.03 0.12 0.01 -0.22 -0.69 0.00 0.00 174.62 173.81 1yl3 s LEU 141 N 2.12 2.20 -0.19 4.42 1.98 -0.05 -4.93 118.68 124.22 1yl3 s LEU 141 Ca 0.20 -1.25 -0.20 0.00 -2.89 0.00 0.00 54.13 49.98 1yl3 s LEU 141 Cb -0.16 -0.33 -0.03 0.00 0.66 0.00 0.00 46.19 46.34 1yl3 s LEU 141 CO 0.09 -0.52 0.58 -1.59 -1.89 0.00 0.00 176.35 173.03 1yl3 s LYS 142 N -3.86 4.22 -0.08 1.98 -2.85 -1.26 -0.70 119.74 117.19 1yl3 s LYS 142 Ca 0.31 0.54 0.05 0.00 -1.00 0.00 0.00 55.97 55.86 1yl3 s LYS 142 Cb 0.06 -3.56 -0.00 0.00 -2.06 0.00 0.00 37.83 32.27 1yl3 s LYS 142 CO 0.11 -0.18 -0.23 0.08 0.10 0.00 0.00 175.35 175.23 1yl3 s VAL 143 N 1.72 1.92 -0.03 1.79 1.01 -0.18 -1.41 120.40 125.22 1yl3 s VAL 143 Ca 0.27 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1yl3 s VAL 143 Cb -0.16 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1yl3 s VAL 143 CO 0.10 0.53 -0.15 -1.38 0.00 0.00 0.00 175.10 174.20 1yl3 s HIS 144 N 0.19 1.47 0.06 5.22 -3.43 -0.06 -1.21 115.29 117.53 1yl3 s HIS 144 Ca -0.13 -0.37 0.01 0.00 -0.80 0.00 0.00 55.06 53.77 1yl3 s HIS 144 Cb -0.16 -0.98 -0.03 0.00 -1.43 0.00 0.00 32.58 29.97 1yl3 s HIS 144 CO 0.06 -0.11 -0.05 0.08 -2.00 0.00 0.00 174.74 172.73 1yl3 s VAL 145 N -0.06 0.40 0.09 -5.38 1.01 -1.05 -1.14 120.40 114.26 1yl3 s VAL 145 Ca -0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 1yl3 s VAL 145 Cb -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1yl3 s VAL 145 CO 0.01 -0.75 0.33 0.28 0.00 0.00 0.00 175.10 174.97 1yl3 s THR 146 N -2.87 0.09 -0.61 3.92 -1.32 -0.40 0.62 115.64 115.07 1yl3 s THR 146 Ca 0.01 -0.71 -0.28 0.00 -1.21 0.00 0.00 61.69 59.50 1yl3 s THR 146 Cb 0.00 -1.12 0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1yl3 s THR 146 CO -0.05 -0.39 1.20 -1.61 -2.21 0.00 0.00 174.62 171.56 1yl3 s GLU 147 N -3.32 3.45 0.00 7.08 2.02 -1.22 -0.75 118.70 125.96 1yl3 s GLU 147 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1yl3 s GLU 147 Cb 0.01 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1yl3 s GLU 147 CO -0.08 -1.77 0.57 0.00 0.02 0.00 0.00 175.26 174.00 1yl3 n GLN 148 N 8.59 0.00 -0.70 1.61 -0.00 -0.38 -4.92 117.38 121.58 1yl3 n GLN 148 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.21 1yl3 n GLN 148 Cb 0.49 -1.54 0.00 0.00 -0.00 0.00 0.00 30.24 29.19 1yl3 n GLN 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23