#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yxb s THR 5 N 0.00 4.64 0.24 3.15 2.01 -1.26 -4.97 115.64 119.45 1yxb s THR 5 Ca 0.00 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.96 1yxb s THR 5 Cb 0.00 -3.64 0.20 0.00 0.01 0.00 0.00 72.50 69.08 1yxb s THR 5 CO 0.00 -0.30 1.80 0.15 -0.69 0.00 0.00 174.62 175.58 1yxb h PHE 6 N 1.92 0.79 -0.10 4.92 3.57 -2.05 -1.56 116.94 124.44 1yxb h PHE 6 Ca -0.48 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 1yxb h PHE 6 Cb 1.18 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1yxb h PHE 6 CO 0.62 0.31 -0.18 0.93 -2.23 0.00 0.00 178.31 177.76 1yxb h GLU 7 N 0.73 0.16 -0.02 1.11 5.08 -2.00 -2.27 114.58 117.38 1yxb h GLU 7 Ca 0.39 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.60 1yxb h GLU 7 Cb 0.38 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1yxb h GLU 7 CO -0.26 0.34 -0.42 0.93 -1.00 0.00 0.00 179.01 178.61 1yxb h GLU 8 N 0.15 0.31 -0.14 2.33 5.08 -1.69 -3.08 114.58 117.54 1yxb h GLU 8 Ca 0.03 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1yxb h GLU 8 Cb 0.41 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1yxb h GLU 8 CO 0.03 1.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.84 1yxb h LEU 9 N -0.25 0.20 -0.41 1.33 3.38 -1.34 -2.61 115.31 115.62 1yxb h LEU 9 Ca -0.05 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1yxb h LEU 9 Cb 1.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1yxb h LEU 9 CO 0.08 0.36 -0.25 0.15 0.09 0.00 0.00 178.44 178.87 1yxb h PHE 10 N 0.21 1.04 0.00 1.13 3.57 -1.46 -2.52 116.94 118.90 1yxb h PHE 10 Ca 0.04 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 1yxb h PHE 10 Cb 0.36 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1yxb h PHE 10 CO 0.00 1.07 -0.35 1.15 -2.23 0.00 0.00 178.31 177.96 1yxb h THR 11 N 0.71 1.07 -0.43 4.41 2.02 -1.41 -2.03 112.91 117.25 1yxb h THR 11 Ca 0.08 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 1yxb h THR 11 Cb 0.83 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1yxb h THR 11 CO 0.07 0.34 -0.01 -0.33 0.37 0.00 0.00 175.52 175.96 1yxb h GLU 12 N 0.00 0.77 -0.29 6.66 4.39 -1.23 -2.94 114.58 121.94 1yxb h GLU 12 Ca -0.00 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1yxb h GLU 12 Cb 0.69 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1yxb h GLU 12 CO 0.04 0.85 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.42 1yxb h LEU 13 N 0.60 0.58 -1.34 1.33 3.38 -1.05 -2.65 115.31 116.16 1yxb h LEU 13 Ca 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1yxb h LEU 13 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1yxb h LEU 13 CO 0.02 0.82 0.07 1.56 0.09 0.00 0.00 178.44 181.01 1yxb h GLN 14 N 0.50 0.52 -0.07 1.13 4.20 -1.25 -2.43 115.11 117.70 1yxb h GLN 14 Ca 0.07 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 1yxb h GLN 14 Cb 0.70 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.41 1yxb h GLN 14 CO 0.05 0.49 -0.74 1.25 -0.67 0.00 0.00 178.83 179.21 1yxb h HIS 15 N 0.51 0.88 0.00 2.96 2.76 -1.34 -3.13 115.15 117.78 1yxb h HIS 15 Ca 0.12 -0.43 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1yxb h HIS 15 Cb 0.21 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1yxb h HIS 15 CO 0.01 1.25 0.00 0.87 -1.30 0.00 0.00 177.93 178.76 1yxb h LYS 16 N 0.27 0.00 -0.01 5.26 1.57 -1.25 -1.72 116.57 120.68 1yxb h LYS 16 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1yxb h LYS 16 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1yxb h LYS 16 CO 0.15 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.75 1yxb n ALA 17 N -1.82 3.13 0.33 3.86 0.00 -0.93 -4.05 120.51 121.03 1yxb n ALA 17 Ca 0.01 -0.46 0.14 0.00 0.00 0.00 0.00 53.44 53.12 1yxb n ALA 17 Cb 0.17 -1.06 0.59 0.00 0.00 0.00 0.00 19.45 19.16 1yxb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yxb h ALA 18 N 3.79 1.00 -3.00 0.00 0.00 -1.33 -3.51 119.26 116.22 1yxb h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yxb h ALA 18 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yxb h ALA 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1yxb n ASN 19 N -2.47 0.00 0.05 0.00 3.02 -1.26 -5.16 115.26 109.45 1yxb n ASN 19 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1yxb n ASN 19 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1yxb n ASN 19 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1yxb n THR 24 N 0.00 0.00 0.00 3.41 -1.04 -1.26 -5.09 114.28 110.30 1yxb n THR 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1yxb n THR 24 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1yxb n THR 24 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yxb n SER 25 N -2.73 0.00 0.00 8.00 7.64 -1.26 -3.93 113.62 121.34 1yxb n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1yxb n SER 25 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yxb n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1yxb n ARG 26 N 0.47 0.00 -3.34 1.43 1.74 -1.26 -5.06 116.66 110.64 1yxb n ARG 26 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1yxb n ARG 26 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1yxb n ARG 26 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1yxb s THR 27 N 0.00 4.85 -0.26 0.55 2.01 -1.25 -4.91 115.64 116.62 1yxb s THR 27 Ca 0.00 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 1yxb s THR 27 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1yxb s THR 27 CO 0.00 0.06 0.80 0.00 -0.69 0.00 0.00 174.62 174.79 1yxb n ALA 28 N 0.27 0.09 -3.14 7.40 0.00 -1.26 -4.86 120.51 119.01 1yxb n ALA 28 Ca -0.02 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 1yxb n ALA 28 Cb 0.52 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1yxb n ALA 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yxb n GLU 29 N 2.62 3.85 0.17 0.00 -0.58 -1.26 -4.76 120.64 120.68 1yxb n GLU 29 Ca 0.20 -4.60 0.05 0.00 -0.42 0.00 0.00 57.16 52.39 1yxb n GLU 29 Cb 0.00 -2.43 0.14 0.00 -0.57 0.00 0.00 31.44 28.58 1yxb n GLU 29 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1yxb h LEU 30 N 4.98 0.00 -1.80 -4.62 3.38 -1.96 -3.22 115.31 112.07 1yxb h LEU 30 Ca 0.20 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1yxb h LEU 30 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1yxb h LEU 30 CO 1.17 0.38 0.37 0.58 0.09 0.00 0.00 178.44 181.03 1yxb h VAL 31 N 0.00 0.83 -0.13 1.22 2.07 -1.87 -0.02 116.25 118.35 1yxb h VAL 31 Ca -0.00 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1yxb h VAL 31 Cb 1.19 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1yxb h VAL 31 CO 0.05 0.04 -0.39 -0.78 0.02 0.00 0.00 177.57 176.51 1yxb h ASP 32 N 0.21 0.56 0.28 0.57 3.58 -1.97 -3.08 116.42 116.57 1yxb h ASP 32 Ca 0.26 -0.60 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 1yxb h ASP 32 Cb 0.73 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1yxb h ASP 32 CO -0.05 1.06 -0.17 0.11 -2.88 0.00 0.00 179.24 177.32 1yxb h LYS 33 N 0.09 0.00 0.00 0.28 1.57 -1.29 -3.48 116.57 113.73 1yxb h LYS 33 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yxb h LYS 33 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1yxb h LYS 33 CO 0.08 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 1yxb n GLY 34 N -0.82 -4.03 0.23 3.86 0.00 -0.17 -4.59 105.19 99.68 1yxb n GLY 34 Ca -0.02 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.87 1yxb n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yxb h VAL 35 N 0.00 0.95 -0.49 1.61 2.07 -1.88 -2.71 116.25 115.81 1yxb h VAL 35 Ca 0.00 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1yxb h VAL 35 Cb 0.00 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 1yxb h VAL 35 CO 0.00 0.11 0.21 -0.74 0.02 0.00 0.00 177.57 177.17 1yxb h HIS 36 N 0.58 0.38 -0.29 1.57 -0.00 -1.97 0.35 115.15 115.77 1yxb h HIS 36 Ca 0.26 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.54 1yxb h HIS 36 Cb 0.17 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1yxb h HIS 36 CO -0.09 0.16 -0.30 0.00 -0.00 0.00 0.00 177.93 177.69 1yxb h ALA 37 N 1.30 0.93 -0.20 5.26 0.00 -1.77 -2.14 119.26 122.64 1yxb h ALA 37 Ca 0.23 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1yxb h ALA 37 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yxb h ALA 37 CO -0.20 0.62 -0.65 0.82 0.00 0.00 0.00 179.25 179.84 1yxb h ILE 38 N 0.52 1.30 -0.64 0.00 2.04 -1.14 -3.15 117.51 116.44 1yxb h ILE 38 Ca 0.06 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1yxb h ILE 38 Cb 0.79 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1yxb h ILE 38 CO 0.06 0.60 0.35 1.23 0.00 0.00 0.00 178.15 180.39 1yxb h GLY 39 N 0.78 0.94 0.99 5.37 0.00 -0.10 -0.75 103.07 110.30 1yxb h GLY 39 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1yxb h GLY 39 CO 0.13 0.39 0.26 0.50 0.00 0.00 0.00 176.54 177.82 1yxb h LYS 40 N 0.89 0.59 -0.53 4.80 1.57 -1.36 -1.76 116.57 120.78 1yxb h LYS 40 Ca 0.23 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1yxb h LYS 40 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1yxb h LYS 40 CO -0.04 0.44 -0.07 0.87 -0.57 0.00 0.00 179.45 180.08 1yxb h LYS 41 N 0.58 0.98 -0.56 3.15 1.79 -1.38 -0.71 116.57 120.43 1yxb h LYS 41 Ca 0.16 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 1yxb h LYS 41 Cb -0.00 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 1yxb h LYS 41 CO -0.03 1.02 0.33 0.28 -1.08 0.00 0.00 179.45 179.97 1yxb h VAL 42 N 0.85 1.17 -0.24 0.50 2.07 -0.94 0.16 116.25 119.83 1yxb h VAL 42 Ca 0.14 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1yxb h VAL 42 Cb 0.62 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1yxb h VAL 42 CO 0.04 0.18 -0.39 0.58 0.02 0.00 0.00 177.57 178.00 1yxb h VAL 43 N 0.75 1.30 -0.02 2.57 2.07 -1.21 -1.38 116.25 120.33 1yxb h VAL 43 Ca 0.20 -1.54 -0.24 0.00 0.82 0.00 0.00 66.70 65.93 1yxb h VAL 43 Cb 0.00 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1yxb h VAL 43 CO -0.04 0.49 -0.96 1.05 0.02 0.00 0.00 177.57 178.13 1yxb h GLU 44 N 0.46 0.58 -0.37 1.57 4.11 -0.93 -3.15 114.58 116.86 1yxb h GLU 44 Ca 0.04 -0.60 -0.09 0.00 0.07 0.00 0.00 59.36 58.78 1yxb h GLU 44 Cb 0.88 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1yxb h GLU 44 CO 0.08 1.22 -0.16 0.93 0.07 0.00 0.00 179.01 181.14 1yxb h GLU 45 N 0.34 0.67 -0.69 1.06 4.39 -0.87 -1.63 114.58 117.85 1yxb h GLU 45 Ca -0.10 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.40 1yxb h GLU 45 Cb 1.60 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.16 1yxb h GLU 45 CO 0.18 0.80 0.43 0.00 -1.16 0.00 0.00 179.01 179.26 1yxb h ALA 46 N 1.22 0.91 -0.31 3.43 0.00 -1.30 0.32 119.26 123.52 1yxb h ALA 46 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1yxb h ALA 46 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yxb h ALA 46 CO 0.04 0.20 -0.29 0.00 0.00 0.00 0.00 179.25 179.20 1yxb h ALA 47 N 1.30 0.91 -0.44 0.00 0.00 -1.43 -1.66 119.26 117.95 1yxb h ALA 47 Ca 0.28 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1yxb h ALA 47 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1yxb h ALA 47 CO -0.11 0.62 -0.16 0.93 0.00 0.00 0.00 179.25 180.52 1yxb h GLU 48 N 0.55 0.89 -0.25 0.00 5.08 -0.65 -2.83 114.58 117.37 1yxb h GLU 48 Ca 0.07 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1yxb h GLU 48 Cb 0.78 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1yxb h GLU 48 CO 0.06 1.01 0.03 0.28 -1.00 0.00 0.00 179.01 179.40 1yxb h VAL 49 N 0.72 0.86 0.00 3.13 2.07 -0.16 0.48 116.25 123.34 1yxb h VAL 49 Ca 0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1yxb h VAL 49 Cb 0.72 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1yxb h VAL 49 CO 0.05 0.02 0.00 1.87 0.02 0.00 0.00 177.57 179.54 1yxb n TRP 50 N -5.11 0.00 0.00 1.57 -0.00 -0.64 -0.61 117.44 112.64 1yxb n TRP 50 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1yxb n TRP 50 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.41 1yxb n TRP 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1yxb n ALA 52 N 0.57 0.00 -0.23 5.87 0.00 0.16 -1.75 120.51 125.12 1yxb n ALA 52 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1yxb n ALA 52 Cb 0.01 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.83 1yxb n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yxb h ALA 53 N 0.00 1.78 0.11 0.00 0.00 -1.08 0.12 119.26 120.19 1yxb h ALA 53 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1yxb h ALA 53 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1yxb h ALA 53 CO 0.00 0.04 -1.54 1.49 0.00 0.00 0.00 179.25 179.24 1yxb h GLU 54 N 0.72 0.23 0.00 0.00 4.57 -1.59 -3.43 114.58 115.09 1yxb h GLU 54 Ca 0.38 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1yxb h GLU 54 Cb 0.50 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1yxb h GLU 54 CO -0.15 1.19 -1.70 0.66 -1.18 0.00 0.00 179.01 177.83 1yxb n TYR 55 N -3.86 0.00 -3.31 0.92 4.02 -1.17 -5.05 117.16 108.70 1yxb n TYR 55 Ca -0.27 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.40 1yxb n TYR 55 Cb 0.92 -0.38 0.04 0.00 -0.02 0.00 0.00 39.34 39.90 1yxb n TYR 55 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1yxb s GLU 56 N -2.91 2.26 0.84 -0.72 0.41 0.41 -5.04 118.70 113.95 1yxb s GLU 56 Ca -0.06 -1.79 -0.12 0.00 -0.41 0.00 0.00 54.97 52.59 1yxb s GLU 56 Cb 0.09 -2.46 0.10 0.00 -1.78 0.00 0.00 34.13 30.07 1yxb s GLU 56 CO 0.60 -0.83 1.19 0.20 -0.49 0.00 0.00 175.26 175.93 1yxb s GLY 57 N -4.57 1.61 0.26 -1.39 0.00 -1.26 -4.77 107.32 97.20 1yxb s GLY 57 Ca 0.53 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 1yxb s GLY 57 CO 0.33 -0.16 1.88 0.50 0.00 0.00 0.00 173.10 175.66 1yxb h LYS 58 N -1.19 1.13 -0.30 2.90 1.57 -1.98 -2.07 116.57 116.63 1yxb h LYS 58 Ca -0.46 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1yxb h LYS 58 Cb 1.32 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1yxb h LYS 58 CO 0.63 0.75 0.07 0.22 -0.57 0.00 0.00 179.45 180.54 1yxb h ASP 59 N 1.17 0.47 -0.83 0.86 3.58 -1.99 -0.89 116.42 118.79 1yxb h ASP 59 Ca 0.42 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1yxb h ASP 59 Cb 0.14 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1yxb h ASP 59 CO -0.17 0.58 0.55 0.00 -2.88 0.00 0.00 179.24 177.33 1yxb h ALA 60 N 0.90 1.42 -0.13 -0.78 0.00 -1.87 -0.16 119.26 118.64 1yxb h ALA 60 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1yxb h ALA 60 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yxb h ALA 60 CO 0.00 0.53 -0.53 0.00 0.00 0.00 0.00 179.25 179.25 1yxb h ALA 61 N 1.49 0.85 -0.24 0.00 0.00 -1.15 -2.36 119.26 117.84 1yxb h ALA 61 Ca 0.31 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1yxb h ALA 61 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1yxb h ALA 61 CO -0.07 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 179.71 1yxb h ALA 62 N 1.15 0.34 -0.70 0.00 0.00 -0.35 -1.09 119.26 118.62 1yxb h ALA 62 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1yxb h ALA 62 Cb 1.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1yxb h ALA 62 CO 0.09 0.24 0.44 1.49 0.00 0.00 0.00 179.25 181.50 1yxb h GLU 63 N 0.24 0.83 -0.41 0.00 4.81 -0.97 0.23 114.58 119.32 1yxb h GLU 63 Ca 0.05 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1yxb h GLU 63 Cb 0.68 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1yxb h GLU 63 CO 0.04 0.55 -0.16 0.93 -0.73 0.00 0.00 179.01 179.64 1yxb h GLU 64 N 0.86 0.77 -0.61 1.92 4.39 -1.31 -2.48 114.58 118.11 1yxb h GLU 64 Ca 0.28 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1yxb h GLU 64 Cb 0.02 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1yxb h GLU 64 CO -0.11 0.88 0.06 0.82 -1.16 0.00 0.00 179.01 179.50 1yxb h ILE 65 N 0.69 1.26 -0.54 3.13 2.04 -0.58 -1.96 117.51 121.54 1yxb h ILE 65 Ca 0.11 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1yxb h ILE 65 Cb 0.65 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1yxb h ILE 65 CO 0.05 0.39 0.10 0.77 0.00 0.00 0.00 178.15 179.46 1yxb h SER 66 N 0.96 0.79 -0.61 1.72 4.64 -0.68 -0.28 113.55 120.09 1yxb h SER 66 Ca 0.18 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1yxb h SER 66 Cb 0.48 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1yxb h SER 66 CO 0.02 0.80 0.05 1.56 -0.87 0.00 0.00 176.83 178.39 1yxb h GLN 67 N 0.80 1.04 -0.06 4.77 1.08 -1.20 -0.83 115.11 120.70 1yxb h GLN 67 Ca 0.17 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1yxb h GLN 67 Cb 0.34 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1yxb h GLN 67 CO 0.00 0.99 0.02 1.25 -0.95 0.00 0.00 178.83 180.15 1yxb h LEU 68 N 0.94 0.08 -0.36 1.46 5.85 -0.83 -2.02 115.31 120.43 1yxb h LEU 68 Ca 0.18 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1yxb h LEU 68 Cb 0.49 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1yxb h LEU 68 CO 0.02 0.24 0.17 -0.07 -0.34 0.00 0.00 178.44 178.46 1yxb h LEU 69 N -0.08 0.24 -0.44 2.25 3.38 -0.97 0.29 115.31 119.98 1yxb h LEU 69 Ca 0.02 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1yxb h LEU 69 Cb 0.18 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1yxb h LEU 69 CO -0.00 0.18 0.07 0.22 0.09 0.00 0.00 178.44 179.00 1yxb h TYR 70 N 0.35 0.11 -0.09 1.13 3.20 -1.02 0.13 116.97 120.79 1yxb h TYR 70 Ca 0.16 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1yxb h TYR 70 Cb 0.08 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1yxb h TYR 70 CO -0.11 -0.02 -0.38 0.45 -1.64 0.00 0.00 178.16 176.46 1yxb h HIS 71 N 0.20 0.21 -0.53 -3.82 3.86 -0.87 -0.05 115.15 114.15 1yxb h HIS 71 Ca 0.22 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.26 1yxb h HIS 71 Cb 0.29 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1yxb h HIS 71 CO -0.23 0.55 -0.15 0.28 0.86 0.00 0.00 177.93 179.24 1yxb h VAL 72 N 0.16 1.27 -0.46 2.45 2.07 -0.13 -2.86 116.25 118.74 1yxb h VAL 72 Ca 0.02 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1yxb h VAL 72 Cb 0.75 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1yxb h VAL 72 CO 0.06 0.46 0.11 1.56 0.02 0.00 0.00 177.57 179.78 1yxb h GLN 73 N 0.91 0.73 -5.12 1.57 4.20 -0.36 -3.44 115.11 113.60 1yxb h GLN 73 Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1yxb h GLN 73 Cb 0.72 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1yxb h GLN 73 CO 0.06 0.73 0.06 0.08 -0.67 0.00 0.00 178.83 179.08 1yxb s VAL 74 N -5.30 3.03 0.00 -0.54 1.01 -0.07 -4.68 120.40 113.86 1yxb s VAL 74 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1yxb s VAL 74 Cb 0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1yxb s VAL 74 CO 0.78 -0.06 0.00 0.52 0.00 0.00 0.00 175.10 176.35 1yxb n VAL 77 N 9.04 0.00 0.23 2.92 0.31 -1.26 -4.64 118.33 124.93 1yxb n VAL 77 Ca 0.42 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.82 1yxb n VAL 77 Cb 0.47 0.00 0.56 0.00 -0.91 0.00 0.00 33.84 33.95 1yxb n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yxb h ALA 78 N 0.00 1.63 -0.13 3.52 0.00 -1.94 -2.77 119.26 119.57 1yxb h ALA 78 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yxb h ALA 78 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yxb h ALA 78 CO 0.00 0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1yxb n ARG 79 N -4.20 2.11 -1.52 0.00 5.12 -1.26 -4.97 116.66 111.95 1yxb n ARG 79 Ca -0.02 -1.91 -0.08 0.00 -1.93 0.00 0.00 57.85 53.91 1yxb n ARG 79 Cb 0.23 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 1yxb n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yxb n GLY 80 N 1.25 0.68 3.77 -0.13 0.00 -1.05 -5.01 105.19 104.70 1yxb n GLY 80 Ca 0.14 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1yxb n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yxb s ILE 81 N -2.32 4.80 0.31 -0.61 1.01 -1.26 -5.02 121.20 118.11 1yxb s ILE 81 Ca 0.00 1.35 0.07 0.00 0.00 0.00 0.00 60.65 62.07 1yxb s ILE 81 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1yxb s ILE 81 CO 0.00 0.44 0.32 -0.94 0.00 0.00 0.00 174.94 174.76 1yxb s SER 82 N -0.40 5.59 0.40 3.58 1.04 -1.26 -4.43 113.70 118.22 1yxb s SER 82 Ca 0.32 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.50 1yxb s SER 82 Cb -0.19 -1.21 0.82 0.00 0.10 0.00 0.00 66.02 65.53 1yxb s SER 82 CO 0.19 -0.28 2.03 -0.07 0.98 0.00 0.00 173.24 176.10 1yxb h LEU 83 N 1.21 0.48 -0.57 2.42 3.38 -1.99 -1.86 115.31 118.38 1yxb h LEU 83 Ca -0.46 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1yxb h LEU 83 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1yxb h LEU 83 CO 0.58 0.38 -0.03 0.44 0.09 0.00 0.00 178.44 179.89 1yxb h ASP 84 N 0.55 1.01 -0.41 -0.43 5.19 -1.97 0.29 116.42 120.65 1yxb h ASP 84 Ca 0.15 -0.32 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1yxb h ASP 84 Cb -0.00 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 1yxb h ASP 84 CO -0.03 1.09 0.26 0.44 -3.12 0.00 0.00 179.24 177.89 1yxb h ASP 85 N 0.91 0.45 -0.02 6.45 3.32 -1.75 -0.73 116.42 125.05 1yxb h ASP 85 Ca 0.16 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1yxb h ASP 85 Cb 0.59 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1yxb h ASP 85 CO 0.04 0.33 -0.03 0.58 -1.72 0.00 0.00 179.24 178.43 1yxb h VAL 86 N 0.54 1.41 -0.58 -1.35 2.07 -1.30 -3.22 116.25 113.83 1yxb h VAL 86 Ca 0.15 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1yxb h VAL 86 Cb -0.05 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1yxb h VAL 86 CO -0.04 0.34 0.39 1.88 0.02 0.00 0.00 177.57 180.15 1yxb h TYR 87 N -0.45 0.45 -0.46 1.57 0.99 -0.35 -0.54 116.97 118.18 1yxb h TYR 87 Ca 0.00 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.75 1yxb h TYR 87 Cb 0.56 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.12 1yxb h TYR 87 CO 0.11 0.22 0.30 0.00 -0.00 0.00 0.00 178.16 178.79 1yxb h ALA 88 N 1.70 1.68 0.00 3.88 0.00 -1.14 -2.30 119.26 123.08 1yxb h ALA 88 Ca 0.26 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1yxb h ALA 88 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yxb h ALA 88 CO -0.07 0.29 -1.03 0.45 0.00 0.00 0.00 179.25 178.89 1yxb h HIS 89 N 0.61 0.00 0.00 0.00 3.86 -1.18 -3.32 115.15 115.13 1yxb h HIS 89 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1yxb h HIS 89 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1yxb h HIS 89 CO -0.00 0.62 0.00 1.28 0.86 0.00 0.00 177.93 180.69 1yxb n LEU 90 N -3.08 0.00 -0.57 2.43 4.77 -0.78 -5.14 117.00 114.64 1yxb n LEU 90 Ca -0.04 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1yxb n LEU 90 Cb 0.82 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.94 1yxb n LEU 90 CO 0.43 -0.03 0.47 0.18 -1.33 0.00 0.00 177.39 177.11