#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw n ASP 3 N -0.03 0.00 -3.62 0.00 9.92 -1.26 -3.36 116.55 118.19 1ygw n ASP 3 Ca 0.40 0.96 -0.26 0.00 -0.53 0.00 0.00 54.79 55.36 1ygw n ASP 3 Cb 0.31 -0.47 -0.17 0.00 -0.64 0.00 0.00 41.12 40.15 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ygw s TYR 4 N -4.79 0.31 -0.31 1.24 2.02 -1.26 -4.89 117.35 109.68 1ygw s TYR 4 Ca -0.05 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 1ygw s TYR 4 Cb 0.25 -0.75 0.07 0.00 -0.40 0.00 0.00 41.96 41.14 1ygw s TYR 4 CO 0.85 -0.54 -0.01 0.99 -1.57 0.00 0.00 175.55 175.26 1ygw s THR 5 N 2.10 2.47 -1.50 -0.71 2.01 -1.21 -0.39 115.64 118.41 1ygw s THR 5 Ca 0.02 -1.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.06 1ygw s THR 5 Cb -0.16 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.77 1ygw s THR 5 CO -0.11 -0.27 2.46 0.00 -0.69 0.00 0.00 174.62 176.01 1ygw n GLY 7 N 3.81 1.79 2.70 0.00 0.00 -1.26 -4.21 105.19 108.01 1ygw n GLY 7 Ca 0.60 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 2.48 -1.56 -1.22 1.61 3.41 -1.26 -5.08 113.62 112.00 1ygw n SER 8 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1ygw n SER 8 Cb 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.57 1.57 -2.69 4.04 3.02 -1.26 -5.11 115.26 114.27 1ygw n ASN 9 Ca -0.02 -0.68 -0.04 0.00 -0.03 0.00 0.00 54.58 53.81 1ygw n ASN 9 Cb 0.85 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.06 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 2.29 1.67 -0.46 0.00 4.01 0.48 -4.88 117.16 120.26 1ygw n TYR 11 Ca 0.10 -2.01 -0.15 0.00 -0.16 0.00 0.00 57.90 55.68 1ygw n TYR 11 Cb 0.65 -1.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.27 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 0.94 -1.63 -0.03 7.72 3.41 -1.25 -2.90 113.62 119.87 1ygw n SER 12 Ca 0.50 0.21 0.18 0.00 -0.26 0.00 0.00 58.87 59.50 1ygw n SER 12 Cb 0.53 -0.32 0.28 0.00 -0.26 0.00 0.00 64.21 64.43 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 1.06 0.00 0.11 4.04 3.41 -1.26 0.61 113.62 121.59 1ygw n SER 13 Ca 0.02 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1ygw n SER 13 Cb 0.19 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.57 4.04 0.87 -1.97 -2.84 113.55 115.22 1ygw h SER 14 Ca 0.32 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1ygw h SER 14 Cb 2.52 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.47 1ygw h SER 14 CO -0.00 0.62 -0.44 0.44 -0.53 0.00 0.00 176.83 176.91 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.78 -3.05 116.42 126.57 1ygw h ASP 15 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1ygw h ASP 15 Cb 1.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1ygw h ASP 15 CO 0.08 0.23 0.00 0.52 -3.12 0.00 0.00 179.24 176.94 1ygw n VAL 16 N -3.07 0.00 -0.33 -1.35 0.31 -0.56 -2.62 118.33 110.72 1ygw n VAL 16 Ca 0.02 0.59 -0.02 0.00 -0.01 0.00 0.00 64.34 64.91 1ygw n VAL 16 Cb 0.63 -1.44 0.03 0.00 -0.91 0.00 0.00 33.84 32.16 1ygw n VAL 16 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ygw h SER 17 N 0.00 -1.35 -0.63 4.52 0.87 -1.67 0.62 113.55 115.90 1ygw h SER 17 Ca 0.00 0.29 0.13 0.00 -1.23 0.00 0.00 61.79 60.98 1ygw h SER 17 Cb 0.00 0.71 -0.12 0.00 -0.44 0.00 0.00 62.40 62.55 1ygw h SER 17 CO 0.00 -0.29 -0.12 0.74 -0.53 0.00 0.00 176.83 176.63 1ygw h THR 18 N -0.04 0.39 -0.60 2.23 2.02 -1.69 1.06 112.91 116.28 1ygw h THR 18 Ca 0.32 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.49 1ygw h THR 18 Cb 0.59 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1ygw h THR 18 CO -0.91 0.00 0.37 0.00 0.37 0.00 0.00 175.52 175.36 1ygw h ALA 19 N 1.62 0.77 0.84 6.16 0.00 0.31 -3.01 119.26 125.95 1ygw h ALA 19 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ygw h ALA 19 Cb 0.49 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ygw h ALA 19 CO -0.63 0.24 -0.41 1.96 0.00 0.00 0.00 179.25 180.42 1ygw h GLN 20 N 0.81 -1.09 -0.91 0.00 4.20 0.28 -1.97 115.11 116.43 1ygw h GLN 20 Ca 0.22 0.07 0.33 0.00 0.06 0.00 0.00 58.65 59.33 1ygw h GLN 20 Cb -0.03 0.25 -0.10 0.00 0.30 0.00 0.00 27.48 27.89 1ygw h GLN 20 CO -0.04 -0.72 0.57 0.00 -0.67 0.00 0.00 178.83 177.97 1ygw n ALA 21 N -2.63 0.91 0.01 3.87 0.00 0.33 0.29 120.51 123.29 1ygw n ALA 21 Ca -0.15 0.63 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1ygw n ALA 21 Cb 0.45 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 1.17 -0.12 -0.64 0.00 0.00 -1.32 0.60 119.26 118.95 1ygw h ALA 22 Ca 0.61 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1ygw h ALA 22 Cb 1.90 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1ygw h ALA 22 CO -0.37 -0.20 0.34 0.78 0.00 0.00 0.00 179.25 179.80 1ygw h GLY 23 N -0.85 0.94 0.34 0.00 0.00 0.50 -1.79 103.07 102.21 1ygw h GLY 23 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1ygw h GLY 23 CO 0.02 0.12 -0.16 -1.82 0.00 0.00 0.00 176.54 174.70 1ygw h TYR 24 N 0.62 -0.42 -0.61 5.60 3.20 0.71 -0.60 116.97 125.47 1ygw h TYR 24 Ca 0.30 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 1ygw h TYR 24 Cb 0.22 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1ygw h TYR 24 CO -0.09 -0.26 -0.36 1.17 -1.64 0.00 0.00 178.16 176.97 1ygw n LYS 25 N -4.05 -0.27 -0.27 1.82 3.00 0.20 0.32 118.16 118.91 1ygw n LYS 25 Ca -0.06 1.05 0.02 0.00 -0.00 0.00 0.00 58.31 59.33 1ygw n LYS 25 Cb 0.18 -1.55 0.23 0.00 0.00 0.00 0.00 35.03 33.90 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 0.90 -0.05 3.14 5.85 -1.42 -0.15 115.31 123.58 1ygw h LEU 26 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ygw h LEU 26 Cb 0.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1ygw h LEU 26 CO -0.58 0.62 0.01 -0.74 -0.34 0.00 0.00 178.44 177.41 1ygw h HIS 27 N 1.05 0.08 -0.05 1.25 2.76 0.69 0.38 115.15 121.31 1ygw h HIS 27 Ca 0.34 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1ygw h HIS 27 Cb 0.06 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1ygw h HIS 27 CO -0.00 0.25 0.05 0.93 -1.30 0.00 0.00 177.93 177.85 1ygw h GLU 28 N -0.12 0.00 0.00 5.26 5.08 0.57 0.35 114.58 125.73 1ygw h GLU 28 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ygw h GLU 28 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ygw h GLU 28 CO -0.00 0.00 -0.67 -0.44 -1.00 0.00 0.00 179.01 176.90 1ygw h ASP 29 N 0.00 0.00 -0.31 1.42 3.32 -0.41 -3.48 116.42 116.97 1ygw h ASP 29 Ca 0.02 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1ygw h ASP 29 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1ygw h ASP 29 CO -0.00 0.08 -0.09 0.61 -1.72 0.00 0.00 179.24 178.12 1ygw n GLY 30 N 1.30 0.60 4.03 2.75 0.00 0.12 -5.03 105.19 108.95 1ygw n GLY 30 Ca 0.03 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.80 2.43 0.40 1.61 0.41 0.86 -4.99 118.70 116.61 1ygw s GLU 31 Ca 0.00 -1.50 0.02 0.00 -0.41 0.00 0.00 54.97 53.09 1ygw s GLU 31 Cb 0.00 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1ygw s GLU 31 CO 0.00 -0.72 0.08 0.25 -0.49 0.00 0.00 175.26 174.38 1ygw n THR 32 N -2.16 0.00 -3.85 3.63 -2.24 -1.26 -4.40 114.28 104.00 1ygw n THR 32 Ca 0.13 -2.12 -0.21 0.00 -2.27 0.00 0.00 64.05 59.58 1ygw n THR 32 Cb 0.61 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.31 1ygw n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ygw s VAL 33 N -2.81 0.32 0.00 2.28 -7.23 -0.44 -4.96 120.40 107.55 1ygw s VAL 33 Ca 0.12 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1ygw s VAL 33 Cb 0.01 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1ygw s VAL 33 CO 0.08 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1ygw n GLY 34 N 4.83 -0.26 0.10 2.32 0.00 -1.11 -3.90 105.19 107.17 1ygw n GLY 34 Ca -0.13 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.79 1ygw n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 35 N 1.11 1.02 -2.22 1.61 7.64 -1.26 -4.85 113.62 116.67 1ygw n SER 35 Ca 0.00 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1ygw n SER 35 Cb 0.00 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ygw n ASN 36 N -1.18 0.00 -2.44 6.43 4.13 -1.25 -5.02 115.26 115.92 1ygw n ASN 36 Ca 0.06 -0.38 -0.20 0.00 1.68 0.00 0.00 54.58 55.74 1ygw n ASN 36 Cb 0.36 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.61 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 -1.15 3.80 -4.90 6.41 3.41 -1.26 -4.54 113.62 115.39 1ygw n SER 37 Ca 0.00 -3.35 -0.33 0.00 -0.26 0.00 0.00 58.87 54.93 1ygw n SER 37 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 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 -3.50 3.53 0.00 7.33 1.51 -1.26 -4.10 117.35 120.86 1ygw s TYR 38 Ca 0.42 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.97 1ygw s TYR 38 Cb 0.41 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1ygw s TYR 38 CO -0.07 0.56 0.00 -0.35 -1.11 0.00 0.00 175.55 174.58 1ygw n PRO 39 N 0.64 0.10 0.00 -1.71 -0.04 -1.26 -1.33 135.00 131.39 1ygw n PRO 39 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ygw n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.46 0.00 -0.82 0.54 1.44 -1.09 -4.96 115.22 108.87 1ygw n HIS 40 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1ygw n HIS 40 Cb 0.00 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.22 1ygw n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1ygw n LYS 41 N -0.02 -0.86 -0.21 -1.40 2.85 -1.26 0.17 118.16 117.44 1ygw n LYS 41 Ca 0.00 -0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1ygw n LYS 41 Cb 0.00 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1ygw n TYR 42 N -3.97 0.00 0.00 5.58 4.19 0.89 -3.88 117.16 119.97 1ygw n TYR 42 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.68 0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.64 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 0.00 0.00 -4.03 2.98 5.03 -1.26 -4.69 115.26 113.28 1ygw n ASN 43 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 1ygw n ASN 43 Cb 0.52 0.00 0.19 0.00 -1.02 0.00 0.00 39.78 39.47 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ygw n ASN 44 N 0.00 -2.66 0.00 6.41 6.94 -1.26 -4.89 115.26 119.81 1ygw n ASN 44 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1ygw n ASN 44 Cb 0.00 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 36.48 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 -4.63 0.00 0.31 -2.53 4.02 -1.26 -4.94 117.16 108.12 1ygw n TYR 45 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.99 1ygw n TYR 45 Cb 0.55 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 40.18 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 -1.94 -3.41 114.58 112.90 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 -1.41 0.62 3.75 -3.84 0.00 -1.26 -5.13 105.19 97.91 1ygw n GLY 47 Ca 0.00 -0.55 -0.35 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 -0.37 3.43 -1.23 1.61 0.08 -1.26 -5.01 117.98 115.22 1ygw s PHE 48 Ca 0.00 0.34 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 1ygw s PHE 48 Cb 0.00 -2.11 0.20 0.00 -0.57 0.00 0.00 43.02 40.54 1ygw s PHE 48 CO 0.00 0.36 1.83 -0.25 -0.10 0.00 0.00 175.22 177.06 1ygw n ASP 49 N 3.21 5.65 -4.59 1.36 8.00 -1.26 -4.93 116.55 123.99 1ygw n ASP 49 Ca -0.17 -3.19 -0.43 0.00 0.71 0.00 0.00 54.79 51.71 1ygw n ASP 49 Cb 0.53 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ygw s PHE 50 N -0.54 2.47 -0.40 1.24 0.08 -1.26 -4.85 117.98 114.72 1ygw s PHE 50 Ca 0.39 0.61 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1ygw s PHE 50 Cb 0.10 -4.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1ygw s PHE 50 CO 0.02 -1.80 0.68 -1.13 -0.10 0.00 0.00 175.22 172.89 1ygw n SER 51 N 8.79 1.87 -4.32 1.36 3.41 -1.26 -4.73 113.62 118.74 1ygw n SER 51 Ca 0.14 -1.70 -0.21 0.00 -0.26 0.00 0.00 58.87 56.84 1ygw n SER 51 Cb 0.49 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.31 1.72 0.20 -3.33 -7.23 -1.26 -5.08 120.40 105.11 1ygw s VAL 52 Ca 0.00 -1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 1ygw s VAL 52 Cb 0.00 -1.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 1ygw s VAL 52 CO 0.00 -0.35 0.62 -0.44 -0.31 0.00 0.00 175.10 174.62 1ygw s SER 53 N -2.67 6.86 1.08 4.85 0.01 -1.26 -5.03 113.70 117.55 1ygw s SER 53 Ca 0.15 1.18 -0.14 0.00 1.31 0.00 0.00 55.95 58.44 1ygw s SER 53 Cb -0.05 -2.33 0.23 0.00 0.21 0.00 0.00 66.02 64.08 1ygw s SER 53 CO 0.06 0.03 1.09 -0.94 0.41 0.00 0.00 173.24 173.89 1ygw s SER 54 N -1.83 1.88 0.64 2.44 1.04 -1.26 -4.66 113.70 111.96 1ygw s SER 54 Ca 0.42 1.04 -0.13 0.00 0.48 0.00 0.00 55.95 57.76 1ygw s SER 54 Cb -0.14 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 1ygw s SER 54 CO 0.20 -3.57 1.05 -2.16 0.98 0.00 0.00 173.24 169.74 1ygw s PRO 55 N -5.04 3.16 -0.19 4.02 0.04 -1.26 -4.86 135.00 130.87 1ygw s PRO 55 Ca 0.67 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 55 Cb -0.17 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ygw s PRO 55 CO 0.58 -0.93 0.22 0.71 0.04 0.00 0.00 177.00 177.62 1ygw s TYR 56 N -2.78 3.42 -0.18 0.56 2.02 -1.24 -3.73 117.35 115.41 1ygw s TYR 56 Ca 0.60 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 57.72 1ygw s TYR 56 Cb -0.15 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1ygw s TYR 56 CO 0.46 0.23 -0.04 0.71 -1.57 0.00 0.00 175.55 175.34 1ygw s TYR 57 N 0.52 2.98 0.12 2.71 2.02 4.86 -0.08 117.35 130.48 1ygw s TYR 57 Ca 0.12 -0.55 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 1ygw s TYR 57 Cb -0.12 -2.01 -0.07 0.00 -0.40 0.00 0.00 41.96 39.35 1ygw s TYR 57 CO 0.02 -0.24 0.65 -1.83 -1.57 0.00 0.00 175.55 172.57 1ygw s GLU 58 N 0.82 4.33 -0.13 -0.62 4.04 0.45 0.21 118.70 127.80 1ygw s GLU 58 Ca -0.01 0.89 -0.23 0.00 0.04 0.00 0.00 54.97 55.66 1ygw s GLU 58 Cb -0.15 -3.21 0.05 0.00 0.02 0.00 0.00 34.13 30.85 1ygw s GLU 58 CO 0.02 0.59 0.57 -0.46 -1.84 0.00 0.00 175.26 174.14 1ygw s TRP 59 N -1.16 -0.57 0.42 4.83 -0.11 0.33 -2.69 118.94 119.99 1ygw s TRP 59 Ca 0.33 1.20 -0.23 0.00 1.22 0.00 0.00 56.10 58.61 1ygw s TRP 59 Cb -0.20 0.26 -0.09 0.00 -1.50 0.00 0.00 33.47 31.93 1ygw s TRP 59 CO 0.22 -0.42 1.05 -1.25 -4.62 0.00 0.00 176.95 171.93 1ygw s PRO 60 N -0.44 4.09 -0.24 5.86 0.04 -1.26 0.88 135.00 143.93 1ygw s PRO 60 Ca -0.06 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1ygw s PRO 60 Cb -0.03 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1ygw s PRO 60 CO 0.04 -0.20 -0.06 -1.50 0.04 0.00 0.00 177.00 175.32 1ygw s ILE 61 N -1.72 2.97 -0.17 0.56 2.07 -0.99 -4.52 121.20 119.40 1ygw s ILE 61 Ca 0.60 -0.88 -0.23 0.00 -1.41 0.00 0.00 60.65 58.73 1ygw s ILE 61 Cb -0.21 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.90 1ygw s ILE 61 CO 0.26 0.27 0.70 -0.76 -1.91 0.00 0.00 174.94 173.51 1ygw s LEU 62 N 1.36 4.18 0.00 8.50 1.43 -1.26 -4.70 118.68 128.19 1ygw s LEU 62 Ca 0.02 0.99 0.14 0.00 -1.03 0.00 0.00 54.13 54.25 1ygw s LEU 62 Cb -0.16 -3.03 0.84 0.00 0.03 0.00 0.00 46.19 43.87 1ygw s LEU 62 CO -0.05 -0.29 1.25 -0.24 0.23 0.00 0.00 176.35 177.26 1ygw n SER 63 N 4.93 0.00 0.00 2.29 2.88 -1.26 -1.01 113.62 121.44 1ygw n SER 63 Ca 0.01 -0.48 0.11 0.00 -1.33 0.00 0.00 58.87 57.17 1ygw n SER 63 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ygw n SER 64 N -0.98 0.56 -0.41 -3.46 7.64 -1.26 -4.98 113.62 110.73 1ygw n SER 64 Ca 0.10 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1ygw n SER 64 Cb 0.05 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 1.39 0.96 0.81 0.23 0.00 -0.18 -5.08 105.19 103.31 1ygw n GLY 65 Ca 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 1.27 1.69 -4.09 1.61 9.92 -1.26 -5.04 116.55 120.65 1ygw n ASP 66 Ca 0.00 -1.43 -0.33 0.00 -0.53 0.00 0.00 54.79 52.50 1ygw n ASP 66 Cb 0.42 0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 40.78 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ygw s VAL 67 N -0.85 2.59 -0.95 2.53 1.01 -1.26 -4.51 120.40 118.96 1ygw s VAL 67 Ca 0.04 -1.88 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 1ygw s VAL 67 Cb -0.00 -2.68 -0.29 0.00 0.00 0.00 0.00 36.38 33.41 1ygw s VAL 67 CO 0.03 -0.35 2.27 0.00 0.00 0.00 0.00 175.10 177.06 1ygw n TYR 68 N 4.45 0.29 -1.35 5.22 9.36 -1.26 -4.69 117.16 129.18 1ygw n TYR 68 Ca -0.06 0.05 -0.30 0.00 3.32 0.00 0.00 57.90 60.91 1ygw n TYR 68 Cb 0.42 -1.14 0.11 0.00 -0.63 0.00 0.00 39.34 38.10 1ygw n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ygw n SER 69 N 8.44 6.29 -0.28 2.98 3.41 -1.26 -4.72 113.62 128.47 1ygw n SER 69 Ca 0.64 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1ygw n SER 69 Cb 0.18 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.98 5.12 0.02 5.00 0.00 -1.26 -3.83 105.19 109.26 1ygw n GLY 70 Ca 0.60 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 0.57 -0.44 3.03 -0.02 0.00 -1.26 -2.75 105.19 104.32 1ygw n GLY 71 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ygw s SER 72 N -3.42 4.92 -0.08 1.61 1.04 -1.26 -4.81 113.70 111.71 1ygw s SER 72 Ca -0.04 -3.03 -0.27 0.00 0.48 0.00 0.00 55.95 53.09 1ygw s SER 72 Cb 0.05 -1.77 -0.23 0.00 0.10 0.00 0.00 66.02 64.17 1ygw s SER 72 CO 0.39 -0.29 1.02 1.55 0.98 0.00 0.00 173.24 176.89 1ygw h PRO 73 N 6.67 0.02 0.00 4.02 0.13 -1.95 -3.50 132.00 137.39 1ygw h PRO 73 Ca -0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ygw h PRO 73 Cb 0.91 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ygw h PRO 73 CO 0.71 0.77 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 1ygw n GLY 74 N 0.94 0.10 0.00 1.56 0.00 -1.26 -4.91 105.19 101.62 1ygw n GLY 74 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.59 2.00 -1.81 4.61 0.00 -1.26 -4.87 120.51 118.59 1ygw n ALA 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ygw n ALA 75 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.40 6.61 -0.17 0.00 1.01 -1.26 -2.46 116.67 117.00 1ygw s ASP 76 Ca 0.00 2.77 -0.16 0.00 0.71 0.00 0.00 52.55 55.87 1ygw s ASP 76 Cb 0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1ygw s ASP 76 CO 0.00 -0.70 0.46 -0.13 0.21 0.00 0.00 175.17 175.02 1ygw s ARG 77 N -1.21 0.55 -0.20 8.23 1.81 -0.53 -2.35 118.95 125.26 1ygw s ARG 77 Ca 0.55 0.62 -0.07 0.00 -1.72 0.00 0.00 55.73 55.11 1ygw s ARG 77 Cb -0.43 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.31 1ygw s ARG 77 CO 0.51 -0.07 0.05 0.54 -0.68 0.00 0.00 175.30 175.65 1ygw s VAL 78 N 0.20 4.48 -0.24 3.52 0.11 5.18 -0.95 120.40 132.71 1ygw s VAL 78 Ca -0.00 -0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1ygw s VAL 78 Cb -0.03 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1ygw s VAL 78 CO 0.01 0.43 0.09 -0.69 -3.33 0.00 0.00 175.10 171.60 1ygw s VAL 79 N 0.73 4.58 0.00 2.04 1.01 -1.25 0.12 120.40 127.63 1ygw s VAL 79 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ygw s VAL 79 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1ygw s VAL 79 CO 0.02 0.36 0.00 2.22 0.00 0.00 0.00 175.10 177.70 1ygw n PHE 80 N 4.59 0.00 -3.63 5.22 -1.74 0.58 1.41 117.46 123.88 1ygw n PHE 80 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1ygw n PHE 80 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 1ygw n PHE 80 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1ygw n ASN 81 N -0.05 0.41 -0.55 5.98 3.02 0.08 0.85 115.26 125.00 1ygw n ASN 81 Ca 0.00 -0.63 0.09 0.00 -0.03 0.00 0.00 54.58 54.00 1ygw n ASN 81 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ygw n GLU 82 N 0.00 1.72 0.00 3.52 2.13 -1.25 -3.41 120.64 123.35 1ygw n GLU 82 Ca 0.00 -1.09 0.06 0.00 0.66 0.00 0.00 57.16 56.79 1ygw n GLU 82 Cb 0.00 -1.34 -0.13 0.00 0.27 0.00 0.00 31.44 30.24 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 0.33 0.26 0.00 4.31 6.94 -1.26 -4.96 115.26 120.88 1ygw n ASN 83 Ca 0.14 0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 1ygw n ASN 83 Cb 0.30 1.32 0.00 0.00 -2.36 0.00 0.00 39.78 39.04 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1ygw n ASN 84 N -2.50 0.00 -4.54 0.53 2.04 -1.22 -5.09 115.26 104.47 1ygw n ASN 84 Ca -0.09 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.71 1ygw n ASN 84 Cb 0.70 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.84 1ygw n ASN 84 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1ygw s GLN 85 N -0.19 3.74 0.02 -3.83 -0.21 -1.26 -4.93 119.66 113.01 1ygw s GLN 85 Ca 0.00 -0.46 -0.21 0.00 0.02 0.00 0.00 55.36 54.70 1ygw s GLN 85 Cb 0.00 -3.00 -0.06 0.00 1.00 0.00 0.00 33.01 30.96 1ygw s GLN 85 CO 0.00 0.27 0.63 -1.17 -2.12 0.00 0.00 175.29 172.90 1ygw s LEU 86 N 0.31 4.44 0.06 2.90 1.98 -1.26 -0.74 118.68 126.38 1ygw s LEU 86 Ca -0.02 1.25 -0.18 0.00 -2.89 0.00 0.00 54.13 52.29 1ygw s LEU 86 Cb -0.14 -2.99 -0.12 0.00 0.66 0.00 0.00 46.19 43.61 1ygw s LEU 86 CO 0.02 0.11 1.39 0.00 -1.89 0.00 0.00 176.35 175.98 1ygw h ALA 87 N 5.46 0.30 0.00 5.97 0.00 11.71 -3.44 119.26 139.26 1ygw h ALA 87 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1ygw h ALA 87 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ygw h ALA 87 CO 0.69 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1ygw n GLY 88 N 0.11 -0.66 2.87 0.00 0.00 -1.14 -4.19 105.19 102.18 1ygw n GLY 88 Ca -0.05 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.01 -0.54 0.67 1.61 1.01 -1.26 -3.99 120.40 116.90 1ygw s VAL 89 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1ygw s VAL 89 Cb 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1ygw s VAL 89 CO 0.00 -0.38 0.96 0.27 0.00 0.00 0.00 175.10 175.95 1ygw s ILE 90 N 2.05 2.35 -0.13 2.22 -4.36 -0.12 0.59 121.20 123.80 1ygw s ILE 90 Ca 0.13 -0.36 -0.29 0.00 -0.26 0.00 0.00 60.65 59.86 1ygw s ILE 90 Cb -0.13 -2.99 0.08 0.00 1.25 0.00 0.00 42.46 40.68 1ygw s ILE 90 CO -0.19 0.00 0.77 0.28 0.24 0.00 0.00 174.94 176.04 1ygw s THR 91 N -3.14 0.00 -1.88 8.37 -1.32 0.21 -1.45 115.64 116.43 1ygw s THR 91 Ca 0.60 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.15 1ygw s THR 91 Cb -0.10 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.07 1ygw s THR 91 CO 0.43 0.00 0.92 1.41 -2.21 0.00 0.00 174.62 175.17 1ygw n HIS 92 N 1.33 0.00 -1.95 9.09 8.25 -1.03 -2.70 115.22 128.20 1ygw n HIS 92 Ca -0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.02 1ygw n HIS 92 Cb 0.57 -0.06 0.09 0.00 1.12 0.00 0.00 29.99 31.70 1ygw n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ygw s THR 93 N -2.12 2.09 -1.30 1.59 2.01 -1.26 -3.96 115.64 112.68 1ygw s THR 93 Ca 0.10 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1ygw s THR 93 Cb 0.05 -3.01 0.15 0.00 0.01 0.00 0.00 72.50 69.70 1ygw s THR 93 CO 0.09 -0.02 0.38 0.61 -0.69 0.00 0.00 174.62 174.99 1ygw n GLY 94 N -3.24 -0.26 3.49 4.40 0.00 -1.26 -4.49 105.19 103.83 1ygw n GLY 94 Ca 0.08 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw s ALA 95 N -2.69 2.70 -0.20 4.61 0.00 -1.25 -4.81 121.76 120.12 1ygw s ALA 95 Ca 0.54 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1ygw s ALA 95 Cb -0.31 -0.65 0.24 0.00 0.00 0.00 0.00 23.12 22.40 1ygw s ALA 95 CO 0.72 0.58 1.53 0.45 0.00 0.00 0.00 175.76 179.04 1ygw n SER 96 N 0.71 4.08 0.00 0.00 2.88 -1.26 -4.90 113.62 115.13 1ygw n SER 96 Ca -0.15 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1ygw n SER 96 Cb 0.53 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 0.04 0.07 0.72 0.46 0.00 -1.26 -4.83 105.19 100.39 1ygw n GLY 97 Ca 0.24 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 2.12 -3.48 1.61 4.05 -1.26 -4.90 115.26 113.40 1ygw n ASN 98 Ca 0.00 -1.86 0.00 0.00 0.45 0.00 0.00 54.58 53.17 1ygw n ASN 98 Cb 0.00 -0.19 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1ygw n ASN 98 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1ygw n ASN 99 N 0.63 -0.56 -4.18 1.20 0.23 -1.26 -4.98 115.26 106.34 1ygw n ASN 99 Ca 0.16 -0.06 -0.11 0.00 -0.53 0.00 0.00 54.58 54.04 1ygw n ASN 99 Cb 0.37 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1ygw s PHE 100 N -0.34 0.99 -0.28 -2.53 0.08 -1.26 -4.52 117.98 110.12 1ygw s PHE 100 Ca 0.00 -1.23 -0.17 0.00 0.12 0.00 0.00 56.93 55.65 1ygw s PHE 100 Cb 0.00 -0.54 0.09 0.00 -0.57 0.00 0.00 43.02 41.99 1ygw s PHE 100 CO 0.00 -0.49 0.73 0.14 -0.10 0.00 0.00 175.22 175.50 1ygw s VAL 101 N -4.00 0.00 0.02 -0.44 -7.23 -1.10 -4.87 120.40 102.78 1ygw s VAL 101 Ca 0.27 0.00 -0.34 0.00 -1.81 0.00 0.00 61.98 60.10 1ygw s VAL 101 Cb 0.07 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.88 1ygw s VAL 101 CO 0.04 0.00 1.73 -1.84 -0.31 0.00 0.00 175.10 174.72 1ygw n GLU 102 N 4.03 2.11 0.00 4.82 0.28 -1.25 -0.61 120.64 130.01 1ygw n GLU 102 Ca -0.19 0.77 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1ygw n GLU 102 Cb 0.58 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.88 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97