#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw h ASP 3 N 4.13 0.00 -3.01 0.00 5.19 -1.90 -3.18 116.42 117.65 1ygw h ASP 3 Ca 0.41 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.30 1ygw h ASP 3 Cb 0.40 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.51 1ygw h ASP 3 CO 1.12 0.00 -0.77 -0.31 -3.12 0.00 0.00 179.24 176.16 1ygw s TYR 4 N -4.65 0.69 -0.36 4.55 2.02 -1.26 -4.84 117.35 113.50 1ygw s TYR 4 Ca -0.04 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.74 1ygw s TYR 4 Cb 0.19 -1.03 0.09 0.00 -0.40 0.00 0.00 41.96 40.81 1ygw s TYR 4 CO 0.65 -0.73 0.10 0.99 -1.57 0.00 0.00 175.55 175.00 1ygw s THR 5 N 1.97 2.98 -1.47 -0.71 2.01 -1.20 -0.72 115.64 118.50 1ygw s THR 5 Ca 0.06 -1.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.06 1ygw s THR 5 Cb -0.16 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1ygw s THR 5 CO -0.23 -0.46 2.49 0.00 -0.69 0.00 0.00 174.62 175.72 1ygw n GLY 7 N 3.91 1.95 2.67 0.00 0.00 -1.26 -4.24 105.19 108.21 1ygw n GLY 7 Ca 0.62 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 1ygw n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 8 N 2.22 -1.73 -1.09 1.61 3.41 -1.26 -5.09 113.62 111.69 1ygw n SER 8 Ca 0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1ygw n SER 8 Cb 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1ygw n SER 8 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 9 N -0.77 1.84 -2.69 4.04 3.02 -1.26 -5.10 115.26 114.35 1ygw n ASN 9 Ca -0.08 -0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 53.86 1ygw n ASN 9 Cb 0.83 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.04 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw n TYR 11 N 2.34 1.79 -0.31 0.00 4.01 0.10 -4.85 117.16 120.23 1ygw n TYR 11 Ca 0.10 -2.09 -0.10 0.00 -0.16 0.00 0.00 57.90 55.65 1ygw n TYR 11 Cb 0.65 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 1ygw n TYR 11 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ygw n SER 12 N 0.36 -0.82 -0.14 7.72 3.41 -1.26 -2.48 113.62 120.41 1ygw n SER 12 Ca 0.41 0.18 0.22 0.00 -0.26 0.00 0.00 58.87 59.42 1ygw n SER 12 Cb 0.57 -0.21 0.34 0.00 -0.26 0.00 0.00 64.21 64.65 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ygw n SER 13 N 0.60 0.00 0.14 4.04 3.41 -1.26 0.70 113.62 121.25 1ygw n SER 13 Ca 0.02 0.64 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 1ygw n SER 13 Cb 0.11 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1ygw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ygw h SER 14 N 0.00 0.00 0.83 4.04 0.87 -1.96 -2.31 113.55 115.02 1ygw h SER 14 Ca 0.39 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.71 1ygw h SER 14 Cb 2.50 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.43 1ygw h SER 14 CO -0.00 0.39 -1.18 0.44 -0.53 0.00 0.00 176.83 175.95 1ygw h ASP 15 N 0.00 0.09 0.17 6.23 5.19 2.33 -3.15 116.42 127.29 1ygw h ASP 15 Ca -0.02 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 1ygw h ASP 15 Cb 1.32 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1ygw h ASP 15 CO 0.05 1.09 -0.08 0.58 -3.12 0.00 0.00 179.24 177.75 1ygw h VAL 16 N 0.02 0.00 -0.95 -1.35 2.07 -0.95 -2.87 116.25 112.22 1ygw h VAL 16 Ca -0.09 -0.46 0.17 0.00 0.82 0.00 0.00 66.70 67.15 1ygw h VAL 16 Cb 1.85 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.45 1ygw h VAL 16 CO 0.14 0.00 -0.29 -0.24 0.02 0.00 0.00 177.57 177.20 1ygw n SER 17 N -3.90 -0.45 -0.08 0.57 2.88 -0.87 0.11 113.62 111.88 1ygw n SER 17 Ca -0.03 1.64 -0.06 0.00 -1.33 0.00 0.00 58.87 59.08 1ygw n SER 17 Cb 0.09 -0.45 -0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1ygw n SER 17 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ygw h THR 18 N 0.00 0.58 -0.63 2.46 2.02 -1.65 0.55 112.91 116.24 1ygw h THR 18 Ca 0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1ygw h THR 18 Cb 0.64 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1ygw h THR 18 CO -0.96 0.00 0.37 0.00 0.37 0.00 0.00 175.52 175.30 1ygw h ALA 19 N 1.20 0.81 0.33 6.16 0.00 0.96 -2.88 119.26 125.84 1ygw h ALA 19 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ygw h ALA 19 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ygw h ALA 19 CO -0.37 0.30 -0.25 1.96 0.00 0.00 0.00 179.25 180.89 1ygw h GLN 20 N 0.86 -0.56 -0.76 0.00 4.20 0.16 -1.61 115.11 117.41 1ygw h GLN 20 Ca 0.23 0.04 0.30 0.00 0.06 0.00 0.00 58.65 59.27 1ygw h GLN 20 Cb -0.01 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 27.76 1ygw h GLN 20 CO -0.04 -0.37 0.34 0.00 -0.67 0.00 0.00 178.83 178.09 1ygw n ALA 21 N -2.47 0.71 -0.02 3.87 0.00 0.18 0.25 120.51 123.03 1ygw n ALA 21 Ca -0.10 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 53.99 1ygw n ALA 21 Cb 0.28 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1ygw n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ygw h ALA 22 N 1.51 -0.04 -0.98 0.00 0.00 -1.33 -0.79 119.26 117.63 1ygw h ALA 22 Ca 0.61 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 55.36 1ygw h ALA 22 Cb 1.57 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1ygw h ALA 22 CO -0.60 -0.18 0.60 0.78 0.00 0.00 0.00 179.25 179.84 1ygw h GLY 23 N -0.72 1.68 0.00 0.00 0.00 0.42 0.92 103.07 105.37 1ygw h GLY 23 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1ygw h GLY 23 CO 0.01 0.04 0.00 2.98 0.00 0.00 0.00 176.54 179.57 1ygw n TYR 24 N -4.71 0.00 -0.28 5.60 9.36 0.28 -0.29 117.16 127.12 1ygw n TYR 24 Ca 0.21 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.45 1ygw n TYR 24 Cb 0.46 -0.34 0.07 0.00 -0.63 0.00 0.00 39.34 38.90 1ygw n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ygw n LYS 25 N -1.53 -0.12 -0.07 2.98 0.00 -0.30 0.42 118.16 119.54 1ygw n LYS 25 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 58.31 59.43 1ygw n LYS 25 Cb 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 35.03 33.39 1ygw n LYS 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1ygw h LEU 26 N 0.00 0.72 -0.45 3.14 5.85 -0.93 -0.94 115.31 122.70 1ygw h LEU 26 Ca 0.32 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1ygw h LEU 26 Cb 0.51 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ygw h LEU 26 CO -0.77 0.90 0.12 -0.74 -0.34 0.00 0.00 178.44 177.61 1ygw h HIS 27 N 0.64 0.74 0.00 1.25 2.76 1.14 -0.10 115.15 121.58 1ygw h HIS 27 Ca 0.10 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1ygw h HIS 27 Cb 0.66 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1ygw h HIS 27 CO 0.03 0.68 -0.25 1.05 -1.30 0.00 0.00 177.93 178.14 1ygw h GLU 28 N 0.59 0.00 0.00 5.26 4.11 0.29 -1.56 114.58 123.27 1ygw h GLU 28 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 1ygw h GLU 28 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ygw h GLU 28 CO -0.00 0.25 -0.32 -0.44 0.07 0.00 0.00 179.01 178.57 1ygw h ASP 29 N 0.00 0.00 -0.09 3.06 3.32 -0.50 -3.47 116.42 118.73 1ygw h ASP 29 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ygw h ASP 29 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1ygw h ASP 29 CO 0.03 0.32 -0.04 0.61 -1.72 0.00 0.00 179.24 178.45 1ygw n GLY 30 N 1.05 0.54 4.01 2.75 0.00 -0.11 -5.03 105.19 108.40 1ygw n GLY 30 Ca 0.02 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1ygw n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ygw s GLU 31 N -1.99 2.26 0.40 1.61 0.41 -0.89 -5.04 118.70 115.46 1ygw s GLU 31 Ca 0.00 -1.34 0.04 0.00 -0.41 0.00 0.00 54.97 53.26 1ygw s GLU 31 Cb 0.00 -2.57 -0.03 0.00 -1.78 0.00 0.00 34.13 29.75 1ygw s GLU 31 CO 0.00 -0.89 0.13 0.95 -0.49 0.00 0.00 175.26 174.96 1ygw s THR 32 N -2.74 0.63 -0.03 3.63 -4.23 -1.25 -4.18 115.64 107.47 1ygw s THR 32 Ca 0.61 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1ygw s THR 32 Cb -0.07 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1ygw s THR 32 CO 0.39 0.00 -0.07 0.68 -0.54 0.00 0.00 174.62 175.08 1ygw s VAL 33 N -3.24 0.62 0.00 2.29 -7.23 0.48 -4.93 120.40 108.38 1ygw s VAL 33 Ca 0.26 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1ygw s VAL 33 Cb 0.03 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.40 1ygw s VAL 33 CO 0.15 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1ygw n GLY 34 N 3.43 0.34 0.18 2.32 0.00 0.48 -3.58 105.19 108.36 1ygw n GLY 34 Ca -0.19 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.01 1ygw n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 35 N 1.53 1.27 -2.16 1.61 2.88 -1.24 -4.93 113.62 112.57 1ygw n SER 35 Ca 0.00 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1ygw n SER 35 Cb 0.00 0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ygw n ASN 36 N -0.96 0.00 -2.21 -3.46 4.13 -1.23 -5.02 115.26 106.51 1ygw n ASN 36 Ca 0.07 -0.62 -0.20 0.00 1.68 0.00 0.00 54.58 55.50 1ygw n ASN 36 Cb 0.38 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.64 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ygw n SER 37 N -1.86 4.33 -4.89 6.41 3.41 -1.26 -4.48 113.62 115.27 1ygw n SER 37 Ca 0.00 -3.47 -0.33 0.00 -0.26 0.00 0.00 58.87 54.82 1ygw n SER 37 Cb 0.00 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 1ygw n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ygw s TYR 38 N -3.61 3.51 0.35 7.33 1.51 -1.26 -4.08 117.35 121.09 1ygw s TYR 38 Ca 0.47 0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 57.08 1ygw s TYR 38 Cb 0.40 -2.04 0.08 0.00 -0.11 0.00 0.00 41.96 40.29 1ygw s TYR 38 CO 0.00 0.47 0.39 -0.35 -1.11 0.00 0.00 175.55 174.95 1ygw n PRO 39 N 0.37 -1.04 0.00 -1.71 -0.04 -1.26 -0.39 135.00 130.93 1ygw n PRO 39 Ca -0.04 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1ygw n PRO 39 Cb 0.52 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1ygw n PRO 39 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygw n HIS 40 N -2.92 0.00 -0.63 0.54 1.44 -1.13 -4.92 115.22 107.60 1ygw n HIS 40 Ca 0.05 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.45 1ygw n HIS 40 Cb 0.19 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.49 1ygw n HIS 40 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1ygw n LYS 41 N -0.01 -1.72 0.00 -1.40 0.00 -1.26 0.12 118.16 113.89 1ygw n LYS 41 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 58.31 57.83 1ygw n LYS 41 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.19 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ygw n TYR 42 N -4.51 0.00 0.00 5.64 4.19 0.68 -4.05 117.16 119.11 1ygw n TYR 42 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1ygw n TYR 42 Cb 0.59 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.42 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N -0.35 0.00 0.00 2.98 3.02 -0.72 -4.82 115.26 115.38 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ygw n ASN 44 N 7.85 0.00 0.00 6.41 6.94 -1.26 -4.65 115.26 130.54 1ygw n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ygw n ASN 44 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ygw n ASN 44 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ygw n TYR 45 N -1.37 0.00 0.31 -2.53 4.02 -1.26 -4.94 117.16 111.39 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1ygw n TYR 45 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 39.59 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 4.39 -1.99 -3.41 114.58 112.85 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ygw n GLY 47 N -1.39 0.66 3.83 -3.84 0.00 -1.26 -5.11 105.19 98.08 1ygw n GLY 47 Ca -0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1ygw n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ygw s PHE 48 N -0.65 3.53 -1.14 1.61 0.08 -1.26 -4.98 117.98 115.18 1ygw s PHE 48 Ca 0.00 0.46 -0.06 0.00 0.12 0.00 0.00 56.93 57.44 1ygw s PHE 48 Cb 0.00 -2.00 0.27 0.00 -0.57 0.00 0.00 43.02 40.72 1ygw s PHE 48 CO 0.00 0.60 1.51 -0.25 -0.10 0.00 0.00 175.22 176.98 1ygw n ASP 49 N 2.42 5.96 -4.56 1.36 9.92 -1.26 -4.93 116.55 125.47 1ygw n ASP 49 Ca -0.19 -3.27 -0.41 0.00 -0.53 0.00 0.00 54.79 50.39 1ygw n ASP 49 Cb 0.54 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.65 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ygw s PHE 50 N -1.68 2.19 0.00 1.24 0.08 -1.25 -4.84 117.98 113.71 1ygw s PHE 50 Ca 0.33 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1ygw s PHE 50 Cb 0.03 -4.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.02 1ygw s PHE 50 CO 0.05 -2.06 0.79 -1.13 -0.10 0.00 0.00 175.22 172.77 1ygw n SER 51 N 9.99 2.24 -4.03 1.36 3.41 -1.26 -4.66 113.62 120.67 1ygw n SER 51 Ca 0.09 -1.40 -0.12 0.00 -0.26 0.00 0.00 58.87 57.18 1ygw n SER 51 Cb 0.50 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1ygw n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ygw s VAL 52 N 0.56 0.40 -0.04 -3.33 -7.23 -1.26 -5.00 120.40 104.49 1ygw s VAL 52 Ca 0.00 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.94 1ygw s VAL 52 Cb 0.00 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1ygw s VAL 52 CO 0.00 -0.40 0.72 -0.44 -0.31 0.00 0.00 175.10 174.68 1ygw s SER 53 N -1.48 7.04 0.97 4.85 0.01 -1.26 -4.99 113.70 118.84 1ygw s SER 53 Ca -0.11 1.26 -0.23 0.00 1.31 0.00 0.00 55.95 58.17 1ygw s SER 53 Cb -0.10 -2.43 -0.12 0.00 0.21 0.00 0.00 66.02 63.59 1ygw s SER 53 CO -0.00 -0.10 -1.09 -1.54 0.41 0.00 0.00 173.24 170.92 1ygw n SER 54 N 3.61 -2.80 -4.80 2.44 3.41 -1.26 -4.41 113.62 109.81 1ygw n SER 54 Ca -0.01 -0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 1ygw n SER 54 Cb 0.51 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1ygw n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ygw s PRO 55 N -2.29 3.52 -0.40 4.33 0.04 -1.26 -4.67 135.00 134.27 1ygw s PRO 55 Ca 0.36 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1ygw s PRO 55 Cb 0.06 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1ygw s PRO 55 CO 0.58 -0.65 0.52 0.71 0.04 0.00 0.00 177.00 178.21 1ygw s TYR 56 N -2.31 3.14 0.11 0.56 2.02 -1.26 -3.00 117.35 116.61 1ygw s TYR 56 Ca 0.64 -0.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.18 1ygw s TYR 56 Cb -0.16 -3.04 -0.06 0.00 -0.40 0.00 0.00 41.96 38.30 1ygw s TYR 56 CO 0.31 -0.70 0.40 0.71 -1.57 0.00 0.00 175.55 174.70 1ygw s TYR 57 N 2.43 3.53 -0.10 2.71 2.02 4.84 0.25 117.35 133.03 1ygw s TYR 57 Ca 0.18 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1ygw s TYR 57 Cb -0.16 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1ygw s TYR 57 CO 0.15 0.47 -0.09 -1.83 -1.57 0.00 0.00 175.55 172.68 1ygw s GLU 58 N -2.25 3.04 -0.13 -0.62 4.04 0.32 0.26 118.70 123.35 1ygw s GLU 58 Ca 0.37 -0.60 -0.20 0.00 0.04 0.00 0.00 54.97 54.59 1ygw s GLU 58 Cb -0.13 -2.63 0.05 0.00 0.02 0.00 0.00 34.13 31.44 1ygw s GLU 58 CO 0.21 0.47 0.50 -0.46 -1.84 0.00 0.00 175.26 174.14 1ygw s TRP 59 N -0.30 -0.51 0.53 4.83 -0.11 0.46 -2.82 118.94 121.03 1ygw s TRP 59 Ca 0.04 1.12 -0.18 0.00 1.22 0.00 0.00 56.10 58.29 1ygw s TRP 59 Cb -0.13 0.21 -0.06 0.00 -1.50 0.00 0.00 33.47 31.99 1ygw s TRP 59 CO 0.02 -0.36 1.04 -1.25 -4.62 0.00 0.00 176.95 171.79 1ygw s PRO 60 N -0.31 3.61 -0.11 5.86 0.04 -1.26 0.82 135.00 143.65 1ygw s PRO 60 Ca -0.05 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1ygw s PRO 60 Cb -0.03 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1ygw s PRO 60 CO 0.03 -0.58 -0.18 -1.50 0.04 0.00 0.00 177.00 174.81 1ygw s ILE 61 N -2.22 2.59 -0.23 0.56 2.07 -1.05 -4.48 121.20 118.43 1ygw s ILE 61 Ca 0.65 -0.84 -0.16 0.00 -1.41 0.00 0.00 60.65 58.89 1ygw s ILE 61 Cb -0.16 -2.04 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 1ygw s ILE 61 CO 0.28 0.55 0.41 -0.76 -1.91 0.00 0.00 174.94 173.50 1ygw s LEU 62 N 0.23 4.10 0.00 8.50 1.43 -1.26 -4.71 118.68 126.97 1ygw s LEU 62 Ca -0.12 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1ygw s LEU 62 Cb -0.16 -2.51 0.10 0.00 0.03 0.00 0.00 46.19 43.65 1ygw s LEU 62 CO 0.06 -0.14 1.04 -1.54 0.23 0.00 0.00 176.35 176.01 1ygw n SER 63 N 4.90 0.00 0.02 2.29 3.41 -1.26 0.47 113.62 123.44 1ygw n SER 63 Ca -0.08 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 1ygw n SER 63 Cb 0.51 -0.47 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ygw n SER 64 N -1.47 0.59 -0.21 4.04 7.64 -1.26 -4.95 113.62 118.01 1ygw n SER 64 Ca 0.01 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1ygw n SER 64 Cb 0.02 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1ygw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ygw n GLY 65 N 1.45 0.66 0.00 0.23 0.00 0.18 -5.06 105.19 102.64 1ygw n GLY 65 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ygw n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ygw n ASP 66 N 1.71 1.48 -4.30 1.61 8.00 -1.25 -4.95 116.55 118.85 1ygw n ASP 66 Ca 0.00 -0.33 -0.34 0.00 0.71 0.00 0.00 54.79 54.83 1ygw n ASP 66 Cb 0.48 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.43 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ygw s VAL 67 N 0.69 3.02 -0.57 2.53 1.01 -1.26 -4.29 120.40 121.53 1ygw s VAL 67 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1ygw s VAL 67 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1ygw s VAL 67 CO 0.00 0.48 1.67 -0.31 0.00 0.00 0.00 175.10 176.94 1ygw s TYR 68 N 0.98 1.92 -0.23 5.22 2.02 -1.26 -4.79 117.35 121.21 1ygw s TYR 68 Ca -0.01 0.59 -0.16 0.00 -0.37 0.00 0.00 57.07 57.12 1ygw s TYR 68 Cb -0.15 -4.23 -0.09 0.00 -0.40 0.00 0.00 41.96 37.08 1ygw s TYR 68 CO -0.01 -2.28 -0.32 -1.13 -1.57 0.00 0.00 175.55 170.25 1ygw n SER 69 N 11.16 1.94 -0.31 2.29 3.41 -1.26 -4.45 113.62 126.40 1ygw n SER 69 Ca 0.17 0.36 0.25 0.00 -0.26 0.00 0.00 58.87 59.39 1ygw n SER 69 Cb 0.50 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 64.13 1ygw n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ygw n GLY 70 N 1.37 -0.86 1.26 5.00 0.00 -1.26 0.18 105.19 110.88 1ygw n GLY 70 Ca -0.33 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ygw n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ygw n GLY 71 N -1.31 0.90 2.33 -0.02 0.00 -1.26 -3.32 105.19 102.51 1ygw n GLY 71 Ca 0.32 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 72 N 1.26 3.92 0.05 1.61 2.88 -1.26 -4.64 113.62 117.45 1ygw n SER 72 Ca 0.00 -3.30 -0.13 0.00 -1.33 0.00 0.00 58.87 54.11 1ygw n SER 72 Cb 0.36 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ygw h PRO 73 N 2.41 0.45 -0.67 -1.46 0.13 -1.94 -3.48 132.00 127.43 1ygw h PRO 73 Ca 0.21 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ygw h PRO 73 Cb 1.34 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1ygw h PRO 73 CO 0.64 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.90 1ygw n GLY 74 N 0.81 0.00 0.00 1.56 0.00 -1.26 -3.93 105.19 102.36 1ygw n GLY 74 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 75 N 0.44 0.00 -2.07 4.61 0.00 -1.26 -4.89 120.51 117.33 1ygw n ALA 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ygw n ALA 75 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ygw s ASP 76 N -4.00 6.73 -0.15 0.00 1.01 -1.25 -2.75 116.67 116.25 1ygw s ASP 76 Ca 0.00 2.38 -0.12 0.00 0.71 0.00 0.00 52.55 55.53 1ygw s ASP 76 Cb 0.00 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.40 1ygw s ASP 76 CO 0.00 -0.76 0.38 -0.13 0.21 0.00 0.00 175.17 174.87 1ygw s ARG 77 N 1.73 0.42 -0.14 8.23 1.81 -0.48 -2.54 118.95 127.98 1ygw s ARG 77 Ca 0.68 0.60 -0.04 0.00 -1.72 0.00 0.00 55.73 55.24 1ygw s ARG 77 Cb -0.38 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.22 1ygw s ARG 77 CO 0.30 -0.09 0.02 0.54 -0.68 0.00 0.00 175.30 175.39 1ygw s VAL 78 N 0.58 4.40 -0.09 3.52 0.11 4.53 -0.95 120.40 132.51 1ygw s VAL 78 Ca -0.03 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1ygw s VAL 78 Cb -0.05 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.85 1ygw s VAL 78 CO -0.04 0.53 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.54 1ygw s VAL 79 N -0.11 4.06 0.13 2.04 1.01 -1.25 0.18 120.40 126.46 1ygw s VAL 79 Ca 0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1ygw s VAL 79 Cb -0.13 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ygw s VAL 79 CO 0.02 0.59 0.42 0.72 0.00 0.00 0.00 175.10 176.85 1ygw s PHE 80 N -0.72 -0.23 0.00 5.22 -0.71 0.72 0.66 117.98 122.91 1ygw s PHE 80 Ca 0.11 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 1ygw s PHE 80 Cb -0.11 0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1ygw s PHE 80 CO 0.02 -0.72 0.00 0.27 -1.34 0.00 0.00 175.22 173.45 1ygw n ASN 81 N -0.24 0.00 -0.40 1.98 0.23 -1.16 0.85 115.26 116.52 1ygw n ASN 81 Ca -0.16 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.79 1ygw n ASN 81 Cb 0.64 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.24 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ygw n GLU 82 N 0.00 -0.42 0.00 -3.83 2.13 -1.25 -4.57 120.64 112.70 1ygw n GLU 82 Ca 0.00 1.47 0.00 0.00 0.66 0.00 0.00 57.16 59.29 1ygw n GLU 82 Cb 0.00 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ygw n ASN 83 N -5.14 0.00 -0.63 4.31 2.04 -1.26 -4.89 115.26 109.69 1ygw n ASN 83 Ca 0.02 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.16 1ygw n ASN 83 Cb 0.25 0.09 0.03 0.00 -2.53 0.00 0.00 39.78 37.62 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ygw n ASN 84 N -1.21 1.46 -1.37 0.53 0.23 -1.26 -4.20 115.26 109.43 1ygw n ASN 84 Ca 0.00 -2.08 -0.02 0.00 -0.53 0.00 0.00 54.58 51.95 1ygw n ASN 84 Cb 0.00 -0.52 0.01 0.00 -2.08 0.00 0.00 39.78 37.19 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ygw n GLN 85 N 0.06 1.08 -0.74 -3.83 -0.00 -1.26 -4.92 117.38 107.76 1ygw n GLN 85 Ca 0.02 -0.16 -0.32 0.00 -0.00 0.00 0.00 57.00 56.54 1ygw n GLN 85 Cb 0.34 -1.06 -0.06 0.00 -0.00 0.00 0.00 30.24 29.46 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ygw n LEU 86 N 1.03 0.48 0.13 2.61 0.00 -1.26 -3.14 117.00 116.85 1ygw n LEU 86 Ca 0.03 0.46 -0.24 0.00 0.00 0.00 0.00 56.01 56.26 1ygw n LEU 86 Cb 0.53 -0.45 -0.15 0.00 0.00 0.00 0.00 43.42 43.35 1ygw n LEU 86 CO 0.04 -0.40 -0.18 0.00 0.00 0.00 0.00 177.39 176.84 1ygw h ALA 87 N 3.57 -0.12 0.00 1.96 0.00 2.04 -3.41 119.26 123.31 1ygw h ALA 87 Ca -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1ygw h ALA 87 Cb 0.70 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ygw h ALA 87 CO 0.52 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1ygw n GLY 88 N 1.62 -0.67 2.74 0.00 0.00 -1.17 -3.91 105.19 103.81 1ygw n GLY 88 Ca -0.16 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1ygw n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ygw s VAL 89 N -4.00 -0.30 0.61 1.61 1.01 -1.26 -3.76 120.40 114.30 1ygw s VAL 89 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1ygw s VAL 89 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1ygw s VAL 89 CO 0.00 -0.61 0.95 0.27 0.00 0.00 0.00 175.10 175.72 1ygw s ILE 90 N 1.49 4.00 0.12 2.22 -4.36 -0.13 0.52 121.20 125.06 1ygw s ILE 90 Ca 0.16 0.31 -0.25 0.00 -0.26 0.00 0.00 60.65 60.62 1ygw s ILE 90 Cb -0.16 -3.60 0.07 0.00 1.25 0.00 0.00 42.46 40.03 1ygw s ILE 90 CO -0.06 -0.69 0.64 0.28 0.24 0.00 0.00 174.94 175.35 1ygw s THR 91 N -3.08 0.00 -1.25 8.37 -1.32 0.82 -1.39 115.64 117.80 1ygw s THR 91 Ca 0.54 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.27 1ygw s THR 91 Cb -0.11 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.97 1ygw s THR 91 CO 0.48 0.00 1.45 1.41 -2.21 0.00 0.00 174.62 175.75 1ygw n HIS 92 N -0.20 0.00 0.30 9.09 8.25 -1.11 -2.29 115.22 129.27 1ygw n HIS 92 Ca -0.16 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.46 1ygw n HIS 92 Cb 0.64 -0.20 0.69 0.00 1.12 0.00 0.00 29.99 32.24 1ygw n HIS 92 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ygw h THR 93 N 0.41 0.00 -0.30 1.59 2.02 -1.90 -2.75 112.91 111.97 1ygw h THR 93 Ca 0.00 -0.40 -0.24 0.00 0.77 0.00 0.00 66.41 66.54 1ygw h THR 93 Cb 0.50 1.34 -0.25 0.00 -1.74 0.00 0.00 68.15 68.00 1ygw h THR 93 CO 0.00 0.00 -0.77 0.61 0.37 0.00 0.00 175.52 175.73 1ygw n GLY 94 N -0.09 4.45 0.76 2.16 0.00 -1.24 -4.72 105.19 106.51 1ygw n GLY 94 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 95 N -0.66 2.50 -1.97 4.61 0.00 -1.06 -4.54 120.51 119.39 1ygw n ALA 95 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1ygw n ALA 95 Cb 0.87 0.23 0.01 0.00 0.00 0.00 0.00 19.45 20.56 1ygw n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ygw n SER 96 N -2.34 -2.37 0.00 0.00 2.88 -1.07 -4.79 113.62 105.92 1ygw n SER 96 Ca 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1ygw n SER 96 Cb 0.23 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1ygw n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ygw n GLY 97 N -1.26 0.10 0.01 0.46 0.00 -1.26 -4.84 105.19 98.40 1ygw n GLY 97 Ca -0.03 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 0.67 -4.73 1.61 4.05 -1.26 -4.88 115.26 110.72 1ygw n ASN 98 Ca 0.00 -0.45 -0.32 0.00 0.45 0.00 0.00 54.58 54.26 1ygw n ASN 98 Cb 0.00 0.56 0.11 0.00 1.23 0.00 0.00 39.78 41.68 1ygw n ASN 98 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ygw s ASN 99 N -3.20 4.05 0.30 1.20 6.03 -1.26 -5.02 114.94 117.03 1ygw s ASN 99 Ca 0.09 2.11 0.10 0.00 -1.03 0.00 0.00 52.86 54.13 1ygw s ASN 99 Cb 0.16 -2.56 -0.06 0.00 -3.03 0.00 0.00 41.25 35.77 1ygw s ASN 99 CO 0.77 -2.35 -0.15 -0.36 -2.03 0.00 0.00 177.10 172.98 1ygw s PHE 100 N -2.48 2.25 -0.28 1.54 0.08 -1.26 -4.42 117.98 113.41 1ygw s PHE 100 Ca 0.67 -0.44 -0.20 0.00 0.12 0.00 0.00 56.93 57.09 1ygw s PHE 100 Cb -0.23 -1.11 0.08 0.00 -0.57 0.00 0.00 43.02 41.19 1ygw s PHE 100 CO 0.51 0.61 0.74 0.14 -0.10 0.00 0.00 175.22 177.13 1ygw s VAL 101 N -2.62 0.00 0.02 -0.44 -7.23 -0.97 -4.84 120.40 104.32 1ygw s VAL 101 Ca 0.30 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.14 1ygw s VAL 101 Cb -0.01 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.81 1ygw s VAL 101 CO 0.15 0.00 1.81 -1.84 -0.31 0.00 0.00 175.10 174.91 1ygw n GLU 102 N 3.58 2.36 0.00 4.82 0.28 -1.25 -0.12 120.64 130.30 1ygw n GLU 102 Ca -0.17 0.86 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 1ygw n GLU 102 Cb 0.57 -2.71 0.00 0.00 1.43 0.00 0.00 31.44 30.73 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97