#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 s GLU 5 N 0.00 0.05 -0.55 5.56 2.02 -1.26 -4.92 118.70 119.60 1yl3 s GLU 5 Ca 0.00 0.03 -0.15 0.00 0.02 0.00 0.00 54.97 54.87 1yl3 s GLU 5 Cb 0.00 0.03 -0.14 0.00 0.10 0.00 0.00 34.13 34.11 1yl3 s GLU 5 CO 0.00 -0.01 1.57 0.00 0.02 0.00 0.00 175.26 176.84 1yl3 n ASP 7 N 12.58 0.00 0.03 0.00 8.00 -1.21 1.00 116.55 136.95 1yl3 n ASP 7 Ca 0.23 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.73 1yl3 n ASP 7 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1yl3 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yl3 n TYR 8 N 0.00 0.00 0.00 1.24 -0.00 -1.16 -4.93 117.16 112.31 1yl3 n TYR 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1yl3 n TYR 8 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.31 1yl3 n TYR 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1yl3 n GLY 10 N 0.00 -0.60 2.33 0.00 0.00 -1.26 -0.72 105.19 104.93 1yl3 n GLY 10 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1yl3 n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yl3 n THR 11 N -2.80 0.00 -3.99 2.61 -1.04 -1.26 -4.55 114.28 103.25 1yl3 n THR 11 Ca 0.15 -0.53 -0.08 0.00 -2.04 0.00 0.00 64.05 61.55 1yl3 n THR 11 Cb 1.22 -1.56 -0.09 0.00 -1.82 0.00 0.00 70.33 68.09 1yl3 n THR 11 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1yl3 s ASP 12 N -3.84 0.30 0.00 8.00 1.11 -1.25 -2.39 116.67 118.61 1yl3 s ASP 12 Ca 0.46 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 52.32 1yl3 s ASP 12 Cb -0.02 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.25 1yl3 s ASP 12 CO 0.33 -0.68 0.00 -0.38 1.18 0.00 0.00 175.17 175.62 1yl3 n ILE 13 N 0.01 0.00 -2.54 0.77 5.41 -1.26 -4.12 119.36 117.62 1yl3 n ILE 13 Ca -0.13 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.56 1yl3 n ILE 13 Cb 0.62 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.51 1yl3 n ILE 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1yl3 n GLU 14 N -0.23 -4.30 0.00 0.38 4.71 -1.26 -4.33 120.64 115.61 1yl3 n GLU 14 Ca 0.00 3.27 0.00 0.00 -0.01 0.00 0.00 57.16 60.42 1yl3 n GLU 14 Cb 0.00 -4.90 0.00 0.00 -1.01 0.00 0.00 31.44 25.53 1yl3 n GLU 14 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1yl3 n PRO 15 N 1.53 0.00 -1.10 3.49 -0.02 -1.26 0.34 135.00 137.98 1yl3 n PRO 15 Ca -0.37 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 60.87 1yl3 n PRO 15 Cb 0.58 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.17 1yl3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yl3 n GLY 16 N 0.00 4.61 1.63 -1.23 0.00 -1.26 -4.19 105.19 104.75 1yl3 n GLY 16 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1yl3 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yl3 n THR 17 N -0.75 0.35 -2.52 2.61 -2.24 -1.26 -5.17 114.28 105.30 1yl3 n THR 17 Ca 0.52 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.54 1yl3 n THR 17 Cb 1.14 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1yl3 n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yl3 n GLY 18 N 2.21 -1.55 3.36 3.38 0.00 1.04 -4.92 105.19 108.71 1yl3 n GLY 18 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1yl3 n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yl3 s THR 19 N -1.51 0.04 -0.09 2.61 -1.32 -0.42 -4.89 115.64 110.06 1yl3 s THR 19 Ca 0.00 -0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 1yl3 s THR 19 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1yl3 s THR 19 CO 0.00 -0.19 -0.20 0.00 -2.21 0.00 0.00 174.62 172.02 1yl3 s MET 20 N -2.72 2.99 0.04 7.08 0.23 -1.26 -0.50 119.30 125.15 1yl3 s MET 20 Ca -0.04 -0.81 0.06 0.00 -1.03 0.00 0.00 55.69 53.87 1yl3 s MET 20 Cb -0.00 -2.38 -0.03 0.00 -1.53 0.00 0.00 34.83 30.88 1yl3 s MET 20 CO -0.04 0.28 -0.13 -0.06 -2.03 0.00 0.00 175.02 173.04 1yl3 s PHE 21 N 0.13 2.71 0.32 3.16 0.08 -0.11 -4.82 117.98 119.44 1yl3 s PHE 21 Ca -0.10 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1yl3 s PHE 21 Cb -0.16 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1yl3 s PHE 21 CO 0.06 0.33 0.32 1.33 -0.10 0.00 0.00 175.22 177.16 1yl3 n VAL 22 N 1.41 0.00 -4.00 -0.44 0.24 -1.26 -1.38 118.33 112.89 1yl3 n VAL 22 Ca -0.15 -2.17 -0.10 0.00 -2.04 0.00 0.00 64.34 59.88 1yl3 n VAL 22 Cb 0.52 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.92 1yl3 n VAL 22 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1yl3 s HIS 23 N -3.21 0.37 0.84 6.34 -3.43 -0.45 -4.78 115.29 110.97 1yl3 s HIS 23 Ca 0.35 -0.54 -0.15 0.00 -0.80 0.00 0.00 55.06 53.93 1yl3 s HIS 23 Cb 0.01 -0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 1yl3 s HIS 23 CO 0.25 -0.17 0.20 1.17 -2.00 0.00 0.00 174.74 174.20 1yl3 n LYS 24 N 1.52 0.01 -2.35 -0.38 4.81 -1.26 -1.45 118.16 119.06 1yl3 n LYS 24 Ca -0.23 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1yl3 n LYS 24 Cb 0.55 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1yl3 n LYS 24 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yl3 n ASP 25 N 0.18 -1.93 -3.60 3.14 10.43 -1.26 -3.77 116.55 119.74 1yl3 n ASP 25 Ca 0.07 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.22 1yl3 n ASP 25 Cb 0.52 -0.48 0.01 0.00 1.84 0.00 0.00 41.12 43.00 1yl3 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1yl3 n GLY 26 N -0.56 -0.60 3.19 0.44 0.00 -1.25 -4.89 105.19 101.53 1yl3 n GLY 26 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1yl3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yl3 s ALA 27 N -3.40 -0.28 0.39 4.61 0.00 -0.53 -5.09 121.76 117.47 1yl3 s ALA 27 Ca 0.15 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1yl3 s ALA 27 Cb -0.08 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 1yl3 s ALA 27 CO 0.53 -0.43 0.04 0.95 0.00 0.00 0.00 175.76 176.85 1yl3 s THR 28 N -3.17 1.47 -0.45 0.00 -4.23 -1.26 -1.34 115.64 106.65 1yl3 s THR 28 Ca -0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1yl3 s THR 28 Cb 0.02 -2.75 0.25 0.00 1.34 0.00 0.00 72.50 71.36 1yl3 s THR 28 CO -0.07 0.00 0.57 0.35 -0.54 0.00 0.00 174.62 174.93 1yl3 n THR 29 N -0.91 0.03 -1.68 3.99 -2.24 -0.48 -4.79 114.28 108.21 1yl3 n THR 29 Ca -0.06 -4.29 -0.47 0.00 -2.27 0.00 0.00 64.05 56.96 1yl3 n THR 29 Cb 0.67 -1.99 -0.04 0.00 -2.10 0.00 0.00 70.33 66.87 1yl3 n THR 29 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yl3 n HIS 30 N 1.32 2.34 -4.37 4.78 8.25 -1.22 -0.94 115.22 125.37 1yl3 n HIS 30 Ca 0.23 0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.47 1yl3 n HIS 30 Cb 0.50 -2.65 -0.12 0.00 1.12 0.00 0.00 29.99 28.84 1yl3 n HIS 30 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yl3 s PHE 31 N 3.30 2.11 0.00 4.41 2.99 0.34 -3.33 117.98 127.81 1yl3 s PHE 31 Ca 0.89 -0.40 0.00 0.00 0.00 0.00 0.00 56.93 57.42 1yl3 s PHE 31 Cb -0.67 -1.08 0.00 0.00 0.00 0.00 0.00 43.02 41.27 1yl3 s PHE 31 CO 0.47 0.38 0.00 0.00 -0.00 0.00 0.00 175.22 176.08 1yl3 s SER 33 N -0.68 5.74 0.20 0.00 0.15 -1.26 -4.25 113.70 113.60 1yl3 s SER 33 Ca 0.00 0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 1yl3 s SER 33 Cb 0.00 -1.69 0.22 0.00 -1.71 0.00 0.00 66.02 62.84 1yl3 s SER 33 CO 0.00 0.32 1.65 -1.28 1.20 0.00 0.00 173.24 175.13 1yl3 h SER 34 N 4.44 -0.41 -0.21 5.45 0.87 -1.98 -0.47 113.55 121.25 1yl3 h SER 34 Ca -0.50 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1yl3 h SER 34 Cb 1.19 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 63.42 1yl3 h SER 34 CO 0.60 -0.15 -0.26 0.11 -0.53 0.00 0.00 176.83 176.61 1yl3 h LYS 35 N 0.05 -0.16 -0.73 2.24 1.57 -2.01 0.14 116.57 117.66 1yl3 h LYS 35 Ca 0.28 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1yl3 h LYS 35 Cb 0.44 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1yl3 h LYS 35 CO -0.54 -0.11 -0.47 0.00 -0.57 0.00 0.00 179.45 177.76 1yl3 n GLU 37 N -4.83 0.00 -0.26 0.00 2.13 0.37 -1.09 120.64 116.96 1yl3 n GLU 37 Ca 0.01 0.01 0.05 0.00 0.66 0.00 0.00 57.16 57.89 1yl3 n GLU 37 Cb 0.22 -0.21 0.19 0.00 0.27 0.00 0.00 31.44 31.91 1yl3 n GLU 37 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1yl3 h ASN 38 N 0.00 0.34 0.19 4.31 7.08 -1.13 0.14 115.58 126.51 1yl3 h ASN 38 Ca 0.00 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.32 1yl3 h ASN 38 Cb 0.00 0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.29 1yl3 h ASN 38 CO 0.00 0.14 -0.16 0.78 -2.08 0.00 0.00 177.43 176.11 1yl3 h ASN 39 N 0.49 -0.41 0.22 6.14 2.35 -0.74 -0.60 115.58 123.03 1yl3 h ASN 39 Ca 0.42 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1yl3 h ASN 39 Cb 0.61 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1yl3 h ASN 39 CO -0.38 -0.24 -0.36 0.00 -1.65 0.00 0.00 177.43 174.80 1yl3 h ALA 40 N 0.42 -0.95 -1.15 -0.83 0.00 0.80 0.50 119.26 118.06 1yl3 h ALA 40 Ca -0.01 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.13 1yl3 h ALA 40 Cb 0.33 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1yl3 h ALA 40 CO -0.02 -1.01 0.74 -0.44 0.00 0.00 0.00 179.25 178.53 1yl3 h ASP 41 N -0.61 0.35 0.27 0.00 3.32 -0.68 -2.90 116.42 116.16 1yl3 h ASP 41 Ca -0.03 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1yl3 h ASP 41 Cb 0.57 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1yl3 h ASP 41 CO -0.12 -0.02 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.19 1yl3 h LEU 42 N 0.26 -0.30 0.00 1.55 -0.00 0.70 -3.50 115.31 114.01 1yl3 h LEU 42 Ca 0.67 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.56 1yl3 h LEU 42 Cb 1.93 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 1yl3 h LEU 42 CO -0.32 -0.06 0.00 -2.11 -0.00 0.00 0.00 178.44 175.95 1yl3 n ARG 44 N -3.83 0.00 -3.96 1.13 1.85 -0.62 -5.12 116.66 106.12 1yl3 n ARG 44 Ca -0.04 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.46 1yl3 n ARG 44 Cb 0.14 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.41 1yl3 n ARG 44 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1yl3 s GLU 45 N 1.70 3.38 0.00 2.89 2.56 -1.26 -5.02 118.70 122.95 1yl3 s GLU 45 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.34 1yl3 s GLU 45 Cb 0.00 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.15 1yl3 s GLU 45 CO 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 175.26 174.53 1yl3 n ALA 46 N 4.71 0.00 -1.55 6.30 0.00 -1.26 -1.69 120.51 127.02 1yl3 n ALA 46 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1yl3 n ALA 46 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1yl3 n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yl3 n ARG 47 N 0.00 0.28 0.00 0.00 1.74 -1.26 0.37 116.66 117.79 1yl3 n ARG 47 Ca 0.00 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 1yl3 n ARG 47 Cb 0.00 -3.65 0.00 0.00 -1.02 0.00 0.00 32.46 27.79 1yl3 n ARG 47 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1yl3 n ASN 48 N 18.53 0.00 -3.61 0.55 6.94 -1.17 -5.10 115.26 131.39 1yl3 n ASN 48 Ca 0.43 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.66 1yl3 n ASN 48 Cb 0.44 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.89 1yl3 n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1yl3 n LEU 49 N 0.00 -4.86 0.03 -4.53 0.00 1.15 -4.95 117.00 103.85 1yl3 n LEU 49 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1yl3 n LEU 49 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.72 1yl3 n LEU 49 CO 0.00 -5.11 0.00 1.21 0.00 0.00 0.00 177.39 173.49 1yl3 n GLU 50 N 2.00 0.00 -0.01 1.96 2.13 -1.26 -4.25 120.64 121.21 1yl3 n GLU 50 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yl3 n GLU 50 Cb 0.48 -0.04 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 1yl3 n GLU 50 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1yl3 n TRP 51 N -2.78 -0.01 0.00 4.31 5.03 -1.26 -2.13 117.44 120.60 1yl3 n TRP 51 Ca 0.00 0.03 0.00 0.00 3.03 0.00 0.00 57.50 60.56 1yl3 n TRP 51 Cb 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 31.31 30.08 1yl3 n TRP 51 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 1yl3 n THR 52 N -2.76 0.00 0.07 -0.99 -2.24 -1.26 -4.49 114.28 102.60 1yl3 n THR 52 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1yl3 n THR 52 Cb 0.01 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1yl3 n THR 52 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yl3 n ASP 53 N 0.00 0.00 0.01 3.42 8.00 -1.26 -1.27 116.55 125.45 1yl3 n ASP 53 Ca 0.00 0.15 -0.02 0.00 0.71 0.00 0.00 54.79 55.63 1yl3 n ASP 53 Cb 0.00 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1yl3 n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1yl3 n THR 54 N -1.17 0.92 0.44 -3.53 5.66 -1.26 -4.48 114.28 110.85 1yl3 n THR 54 Ca 0.01 0.28 0.06 0.00 -3.05 0.00 0.00 64.05 61.34 1yl3 n THR 54 Cb 0.01 -1.59 0.26 0.00 -1.55 0.00 0.00 70.33 67.46 1yl3 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yl3 n ALA 55 N -3.38 1.57 0.00 1.79 0.00 -0.97 -5.05 120.51 114.47 1yl3 n ALA 55 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1yl3 n ALA 55 Cb 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1yl3 n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04