#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 3.99 0.05 -3.34 0.00 8.00 -1.26 -4.79 116.55 119.19 1ygw n ASP 3 Ca -0.19 -0.33 -0.26 0.00 0.71 0.00 0.00 54.79 54.73 1ygw n ASP 3 Cb 0.58 0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 42.07 1ygw n ASP 3 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ygw n TYR 4 N -0.46 1.13 -2.69 1.24 4.01 -1.25 -4.62 117.16 114.51 1ygw n TYR 4 Ca 0.00 -3.78 -0.42 0.00 -0.16 0.00 0.00 57.90 53.54 1ygw n TYR 4 Cb 0.01 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.65 1ygw n TYR 4 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ygw s THR 5 N -1.47 4.10 -1.58 -0.72 2.01 -1.25 -3.87 115.64 112.86 1ygw s THR 5 Ca 0.36 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 1ygw s THR 5 Cb 0.13 -4.71 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 1ygw s THR 5 CO -0.09 -1.41 2.83 0.00 -0.69 0.00 0.00 174.62 175.25 1ygw n GLY 7 N 3.49 0.76 2.54 0.00 0.00 -1.26 -3.91 105.19 106.80 1ygw n GLY 7 Ca 0.74 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.55 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 1.78 3.52 -2.30 1.61 3.41 -1.26 -5.05 113.62 115.32 1ygw n SER 8 Ca 0.00 -3.35 -0.11 0.00 -0.26 0.00 0.00 58.87 55.15 1ygw n SER 8 Cb 0.00 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.33 -0.51 -2.66 4.04 3.02 -1.25 -4.97 115.26 112.59 1ygw n ASN 9 Ca 0.28 -2.26 -0.03 0.00 -0.03 0.00 0.00 54.58 52.53 1ygw n ASN 9 Cb 0.72 1.11 0.11 0.00 -0.61 0.00 0.00 39.78 41.12 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.05 2.27 1.44 0.00 -0.85 -1.25 -4.54 117.35 114.47 1ygw s TYR 11 Ca 0.21 -2.19 -0.23 0.00 -0.52 0.00 0.00 57.07 54.34 1ygw s TYR 11 Cb 0.28 -2.05 0.37 0.00 0.38 0.00 0.00 41.96 40.94 1ygw s TYR 11 CO -0.18 -0.87 0.92 -1.12 -1.52 0.00 0.00 175.55 172.77 1ygw s SER 12 N 1.17 -1.24 0.46 -0.18 0.01 -1.26 -3.90 113.70 108.76 1ygw s SER 12 Ca 0.12 0.84 0.19 0.00 1.31 0.00 0.00 55.95 58.41 1ygw s SER 12 Cb -0.19 -1.18 1.06 0.00 0.21 0.00 0.00 66.02 65.92 1ygw s SER 12 CO -0.16 -5.47 1.54 0.77 0.41 0.00 0.00 173.24 170.33 1ygw h SER 13 N -3.49 0.00 0.87 2.44 4.64 -1.97 1.32 113.55 117.36 1ygw h SER 13 Ca -0.42 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.40 1ygw h SER 13 CO 0.27 0.00 -1.18 -1.28 -0.87 0.00 0.00 176.83 173.77 1ygw h SER 14 N 0.00 0.00 0.21 4.97 0.87 -1.99 -2.98 113.55 114.63 1ygw h SER 14 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1ygw h SER 14 Cb 0.63 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1ygw h SER 14 CO 0.00 0.99 -1.66 0.44 -0.53 0.00 0.00 176.83 176.07 1ygw h ASP 15 N 0.00 0.69 -0.30 6.23 5.19 0.14 -3.34 116.42 125.03 1ygw h ASP 15 Ca -0.08 -0.93 0.04 0.00 -0.62 0.00 0.00 57.03 55.44 1ygw h ASP 15 Cb 1.83 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 41.07 1ygw h ASP 15 CO 0.12 1.77 0.06 0.58 -3.12 0.00 0.00 179.24 178.64 1ygw h VAL 16 N 0.11 0.86 -0.89 -1.35 2.07 -0.98 -2.29 116.25 113.79 1ygw h VAL 16 Ca -0.32 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.29 1ygw h VAL 16 Cb 2.12 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 32.41 1ygw h VAL 16 CO 0.21 0.03 -0.32 -0.24 0.02 0.00 0.00 177.57 177.26 1ygw n SER 17 N -5.08 -0.53 -0.19 0.57 2.88 -1.13 0.11 113.62 110.25 1ygw n SER 17 Ca -0.00 1.54 -0.03 0.00 -1.33 0.00 0.00 58.87 59.05 1ygw n SER 17 Cb 0.13 -0.37 0.03 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.27 -0.69 2.46 2.02 -1.56 0.61 112.91 116.02 1ygw h THR 18 Ca 0.33 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.53 1ygw h THR 18 Cb 0.55 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1ygw h THR 18 CO -0.89 0.00 0.44 0.00 0.37 0.00 0.00 175.52 175.45 1ygw h ALA 19 N 1.26 0.89 0.43 6.16 0.00 0.81 -2.77 119.26 126.02 1ygw h ALA 19 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ygw h ALA 19 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ygw h ALA 19 CO -0.64 0.25 -0.32 1.96 0.00 0.00 0.00 179.25 180.50 1ygw h GLN 20 N 0.89 -0.71 -1.23 0.00 4.20 0.22 -1.32 115.11 117.15 1ygw h GLN 20 Ca 0.26 0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.43 1ygw h GLN 20 Cb -0.05 0.16 -0.11 0.00 0.30 0.00 0.00 27.48 27.79 1ygw h GLN 20 CO -0.08 -0.48 0.81 0.00 -0.67 0.00 0.00 178.83 178.42 1ygw n ALA 21 N -2.57 1.21 0.11 3.87 0.00 0.18 0.19 120.51 123.49 1ygw n ALA 21 Ca -0.11 0.69 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 1ygw n ALA 21 Cb 0.35 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.24 -0.35 -0.83 0.00 0.00 -1.20 0.41 119.26 118.52 1ygw h ALA 22 Ca 0.74 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1ygw h ALA 22 Cb 2.49 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 20.35 1ygw h ALA 22 CO -0.32 -0.39 0.49 0.78 0.00 0.00 0.00 179.25 179.81 1ygw h GLY 23 N -0.98 1.29 0.42 0.00 0.00 0.25 -1.33 103.07 102.72 1ygw h GLY 23 Ca -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1ygw h GLY 23 CO 0.06 0.15 -0.20 -1.82 0.00 0.00 0.00 176.54 174.73 1ygw h TYR 24 N 0.83 -0.52 -0.81 5.60 3.20 0.62 0.12 116.97 126.01 1ygw h TYR 24 Ca 0.40 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.33 1ygw h TYR 24 Cb 0.33 0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.68 1ygw h TYR 24 CO -0.05 -0.32 -0.48 1.17 -1.64 0.00 0.00 178.16 176.84 1ygw n LYS 25 N -4.14 -0.35 -0.20 1.82 3.00 0.13 0.26 118.16 118.68 1ygw n LYS 25 Ca -0.07 1.36 0.06 0.00 -0.00 0.00 0.00 58.31 59.66 1ygw n LYS 25 Cb 0.22 -2.00 0.34 0.00 0.00 0.00 0.00 35.03 33.59 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 0.70 0.04 3.14 5.85 -1.33 -0.36 115.31 123.35 1ygw h LEU 26 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ygw h LEU 26 Cb 0.33 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ygw h LEU 26 CO -0.76 0.45 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.03 1ygw h HIS 27 N 0.79 -0.05 -0.19 1.25 2.76 0.55 0.38 115.15 120.63 1ygw h HIS 27 Ca 0.33 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.55 1ygw h HIS 27 Cb 0.26 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1ygw h HIS 27 CO -0.00 0.16 0.15 0.93 -1.30 0.00 0.00 177.93 177.87 1ygw h GLU 28 N -0.27 0.00 0.00 5.26 5.08 0.45 0.51 114.58 125.61 1ygw h GLU 28 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ygw h GLU 28 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ygw h GLU 28 CO 0.01 0.00 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.09 1ygw h ASP 29 N 0.00 0.00 -0.34 1.42 3.32 -0.56 -3.47 116.42 116.78 1ygw h ASP 29 Ca 0.09 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1ygw h ASP 29 Cb 0.39 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1ygw h ASP 29 CO -0.00 0.07 -0.11 0.61 -1.72 0.00 0.00 179.24 178.09 1ygw n GLY 30 N 1.31 0.70 4.01 2.75 0.00 0.18 -5.03 105.19 109.12 1ygw n GLY 30 Ca 0.04 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.75 2.41 0.39 1.61 0.41 0.98 -4.99 118.70 116.76 1ygw s GLU 31 Ca 0.00 -1.30 0.03 0.00 -0.41 0.00 0.00 54.97 53.30 1ygw s GLU 31 Cb 0.00 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 1ygw s GLU 31 CO 0.00 -0.74 0.09 0.95 -0.49 0.00 0.00 175.26 175.07 1ygw s THR 32 N -2.65 0.88 -0.04 3.63 -4.23 -1.26 -4.40 115.64 107.56 1ygw s THR 32 Ca 0.60 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1ygw s THR 32 Cb -0.08 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1ygw s THR 32 CO 0.38 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 175.03 1ygw s VAL 33 N -3.20 0.96 0.00 2.29 -7.23 0.76 -4.96 120.40 109.03 1ygw s VAL 33 Ca 0.26 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1ygw s VAL 33 Cb 0.05 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.13 1ygw s VAL 33 CO 0.14 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1ygw n GLY 34 N 3.45 -0.72 0.05 2.32 0.00 0.12 -3.32 105.19 107.10 1ygw n GLY 34 Ca -0.20 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.05 0.64 -3.08 1.61 7.64 -1.26 -4.90 113.62 114.22 1ygw n SER 35 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ygw n SER 35 Cb 0.00 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.12 0.00 -2.77 6.43 3.02 -1.25 -5.02 115.26 113.55 1ygw n ASN 36 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.37 1ygw n ASN 36 Cb 0.46 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ygw n SER 37 N 0.00 2.79 -4.78 6.41 3.41 -1.26 -4.66 113.62 115.53 1ygw n SER 37 Ca 0.00 -3.23 -0.34 0.00 -0.26 0.00 0.00 58.87 55.03 1ygw n SER 37 Cb 0.00 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 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 -3.16 3.32 0.00 7.33 1.51 -1.26 -3.86 117.35 121.23 1ygw s TYR 38 Ca 0.40 0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1ygw s TYR 38 Cb 0.39 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1ygw s TYR 38 CO -0.08 0.57 0.00 -0.35 -1.11 0.00 0.00 175.55 174.58 1ygw n PRO 39 N 1.62 -0.23 -3.61 -1.71 -0.04 -1.26 -0.17 135.00 129.59 1ygw n PRO 39 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1ygw n PRO 39 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1ygw n PRO 39 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ygw s HIS 40 N -0.82 -0.05 0.85 0.54 -3.43 -1.15 -4.96 115.29 106.27 1ygw s HIS 40 Ca 0.00 0.02 -0.15 0.00 -0.80 0.00 0.00 55.06 54.13 1ygw s HIS 40 Cb 0.00 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 1ygw s HIS 40 CO 0.00 -0.11 0.22 1.17 -2.00 0.00 0.00 174.74 174.03 1ygw n LYS 41 N -0.18 -0.01 0.00 -0.38 0.00 -1.26 -0.00 118.16 116.33 1ygw n LYS 41 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ygw n LYS 41 Cb 0.59 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.96 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 -2.86 0.00 0.00 5.64 4.19 0.42 -4.40 117.16 120.15 1ygw n TYR 42 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 1ygw n TYR 42 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 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 -0.78 0.00 0.00 2.98 5.03 -0.98 -4.79 115.26 116.72 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 5.52 0.00 0.00 6.41 6.94 -1.26 -4.79 115.26 128.08 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 -1.32 0.00 0.24 -2.53 4.02 -1.26 -4.94 117.16 111.37 1ygw n TYR 45 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1ygw n TYR 45 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 39.65 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 -1.30 0.71 3.78 -3.84 0.00 -1.26 -5.12 105.19 98.16 1ygw n GLY 47 Ca -0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.53 3.49 -1.22 1.61 0.08 -1.26 -5.01 117.98 115.14 1ygw s PHE 48 Ca 0.00 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.43 1ygw s PHE 48 Cb 0.00 -2.11 0.20 0.00 -0.57 0.00 0.00 43.02 40.55 1ygw s PHE 48 CO 0.00 0.44 1.94 -0.25 -0.10 0.00 0.00 175.22 177.25 1ygw n ASP 49 N 2.97 6.55 -4.55 1.36 8.00 -1.26 -4.90 116.55 124.72 1ygw n ASP 49 Ca -0.17 -3.26 -0.34 0.00 0.71 0.00 0.00 54.79 51.73 1ygw n ASP 49 Cb 0.53 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.39 1.82 -0.02 1.24 0.08 -1.26 -4.79 117.98 113.66 1ygw s PHE 50 Ca 0.42 0.56 0.00 0.00 0.12 0.00 0.00 56.93 58.02 1ygw s PHE 50 Cb 0.13 -4.15 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1ygw s PHE 50 CO -0.02 -2.03 0.61 -1.13 -0.10 0.00 0.00 175.22 172.54 1ygw n SER 51 N 12.78 1.81 -4.44 1.36 3.41 -1.26 -4.70 113.62 122.58 1ygw n SER 51 Ca 0.28 -1.22 -0.23 0.00 -0.26 0.00 0.00 58.87 57.44 1ygw n SER 51 Cb 0.50 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.36 2.22 -0.00 -3.33 -7.23 -1.26 -5.08 120.40 106.08 1ygw s VAL 52 Ca 0.00 -2.32 -0.18 0.00 -1.81 0.00 0.00 61.98 57.67 1ygw s VAL 52 Cb 0.00 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.61 1ygw s VAL 52 CO 0.00 -0.43 0.50 -0.55 -0.31 0.00 0.00 175.10 174.31 1ygw s SER 53 N -3.47 6.89 1.12 4.85 0.15 -1.26 -5.05 113.70 116.93 1ygw s SER 53 Ca 0.28 1.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.86 1ygw s SER 53 Cb -0.03 -2.31 0.26 0.00 -1.71 0.00 0.00 66.02 62.23 1ygw s SER 53 CO 0.13 0.21 1.05 -0.94 1.20 0.00 0.00 173.24 174.89 1ygw s SER 54 N -0.62 1.40 0.66 5.45 1.04 -1.26 -4.66 113.70 115.71 1ygw s SER 54 Ca 0.27 1.44 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 1ygw s SER 54 Cb -0.17 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 1ygw s SER 54 CO 0.15 -3.93 1.06 -2.16 0.98 0.00 0.00 173.24 169.34 1ygw s PRO 55 N -4.60 3.07 -0.31 4.02 0.04 -1.26 -4.82 135.00 131.15 1ygw s PRO 55 Ca 0.68 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1ygw s PRO 55 Cb -0.23 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ygw s PRO 55 CO 0.63 -1.00 0.21 0.71 0.04 0.00 0.00 177.00 177.59 1ygw s TYR 56 N -2.89 3.22 -0.17 0.56 2.02 -1.24 -3.74 117.35 115.11 1ygw s TYR 56 Ca 0.59 -0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 57.16 1ygw s TYR 56 Cb -0.14 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.94 1ygw s TYR 56 CO 0.50 -0.26 0.16 0.71 -1.57 0.00 0.00 175.55 175.09 1ygw s TYR 57 N 1.74 3.48 -0.18 2.71 2.02 4.70 0.16 117.35 131.97 1ygw s TYR 57 Ca 0.07 0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 57.13 1ygw s TYR 57 Cb -0.17 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1ygw s TYR 57 CO 0.11 0.42 0.08 -1.83 -1.57 0.00 0.00 175.55 172.75 1ygw s GLU 58 N -0.05 3.99 0.01 -0.62 -1.05 1.00 0.36 118.70 122.34 1ygw s GLU 58 Ca 0.11 -0.31 -0.02 0.00 -0.15 0.00 0.00 54.97 54.61 1ygw s GLU 58 Cb -0.12 -3.25 -0.01 0.00 -0.44 0.00 0.00 34.13 30.32 1ygw s GLU 58 CO 0.01 0.30 0.02 -0.46 0.95 0.00 0.00 175.26 176.08 1ygw s TRP 59 N 0.30 0.12 0.23 4.83 -0.11 0.94 -2.92 118.94 122.34 1ygw s TRP 59 Ca 0.04 -0.24 -0.30 0.00 1.22 0.00 0.00 56.10 56.82 1ygw s TRP 59 Cb -0.12 -0.10 -0.09 0.00 -1.50 0.00 0.00 33.47 31.67 1ygw s TRP 59 CO -0.00 -0.14 1.10 -1.25 -4.62 0.00 0.00 176.95 172.03 1ygw s PRO 60 N -0.92 4.63 -0.27 5.86 0.04 -1.26 0.69 135.00 143.78 1ygw s PRO 60 Ca -0.10 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 60 Cb -0.06 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1ygw s PRO 60 CO -0.00 0.16 0.02 -1.50 0.04 0.00 0.00 177.00 175.72 1ygw s ILE 61 N -0.76 3.59 -0.18 0.56 2.07 -0.45 -4.53 121.20 121.49 1ygw s ILE 61 Ca 0.47 -0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 58.76 1ygw s ILE 61 Cb -0.31 -2.80 -0.02 0.00 0.13 0.00 0.00 42.46 39.47 1ygw s ILE 61 CO 0.38 0.19 0.73 -0.76 -1.91 0.00 0.00 174.94 173.57 1ygw s LEU 62 N 1.46 4.16 0.62 8.50 1.43 -1.26 -4.57 118.68 129.02 1ygw s LEU 62 Ca 0.03 1.01 0.31 0.00 -1.03 0.00 0.00 54.13 54.44 1ygw s LEU 62 Cb -0.16 -3.07 1.67 0.00 0.03 0.00 0.00 46.19 44.66 1ygw s LEU 62 CO -0.00 -0.34 1.93 0.28 0.23 0.00 0.00 176.35 178.45 1ygw h SER 63 N 7.40 0.00 1.44 2.29 0.02 -1.93 1.35 113.55 124.12 1ygw h SER 63 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1ygw h SER 63 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1ygw h SER 63 CO 0.81 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 176.78 1ygw h SER 64 N 0.00 0.00 -0.47 3.07 0.02 -1.99 -3.47 113.55 110.71 1ygw h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ygw h SER 64 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1ygw h SER 64 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1ygw n GLY 65 N 1.08 0.65 3.13 -3.77 0.00 0.46 -5.06 105.19 101.67 1ygw n GLY 65 Ca 0.05 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 1.76 2.49 -4.30 1.61 9.92 -1.25 -4.92 116.55 121.85 1ygw n ASP 66 Ca 0.00 -2.58 -0.43 0.00 -0.53 0.00 0.00 54.79 51.26 1ygw n ASP 66 Cb 0.50 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.88 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 -2.26 4.73 0.41 2.53 1.01 -1.26 -4.26 120.40 121.29 1ygw s VAL 67 Ca 0.24 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 1ygw s VAL 67 Cb -0.02 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 1ygw s VAL 67 CO 0.15 -0.66 0.33 0.00 0.00 0.00 0.00 175.10 174.92 1ygw n TYR 68 N 5.07 -1.26 -1.07 5.22 9.36 -1.26 -4.84 117.16 128.37 1ygw n TYR 68 Ca -0.11 0.63 -0.17 0.00 3.32 0.00 0.00 57.90 61.56 1ygw n TYR 68 Cb 0.42 -1.89 0.21 0.00 -0.63 0.00 0.00 39.34 37.46 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 1.79 4.07 -1.25 2.98 3.41 -1.26 -4.81 113.62 118.55 1ygw n SER 69 Ca 0.12 -3.42 0.10 0.00 -0.26 0.00 0.00 58.87 55.40 1ygw n SER 69 Cb 0.39 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -0.76 -3.50 0.00 5.00 0.00 -1.21 0.15 105.19 104.88 1ygw n GLY 70 Ca 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.44 0.67 2.47 -0.02 0.00 -1.26 -4.48 105.19 99.13 1ygw n GLY 71 Ca -0.05 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 3.33 0.00 1.61 2.88 -1.26 -4.85 113.62 115.33 1ygw n SER 72 Ca 0.00 -3.34 0.08 0.00 -1.33 0.00 0.00 58.87 54.27 1ygw n SER 72 Cb 0.00 -0.68 0.45 0.00 -0.75 0.00 0.00 64.21 63.23 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ygw n PRO 73 N 1.06 0.74 -0.80 -1.46 -0.04 -1.26 -4.88 135.00 128.36 1ygw n PRO 73 Ca 0.28 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1ygw n PRO 73 Cb 0.41 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1ygw n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ygw n GLY 74 N 0.40 -0.06 0.00 0.55 0.00 -1.26 -2.53 105.19 102.30 1ygw n GLY 74 Ca 0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 4.19 0.00 -3.85 4.61 0.00 -1.26 -4.75 120.51 119.45 1ygw n ALA 75 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 1ygw n ALA 75 Cb -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.25 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 0.00 2.06 -0.05 0.00 1.01 -1.05 -1.59 116.67 117.05 1ygw s ASP 76 Ca 0.00 -0.28 -0.10 0.00 0.71 0.00 0.00 52.55 52.88 1ygw s ASP 76 Cb 0.00 -0.80 0.02 0.00 1.01 0.00 0.00 42.92 43.15 1ygw s ASP 76 CO 0.00 -0.11 0.23 -0.13 0.21 0.00 0.00 175.17 175.37 1ygw s ARG 77 N 1.61 0.42 -0.07 8.23 1.81 -0.58 -1.34 118.95 129.03 1ygw s ARG 77 Ca 0.03 0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.08 1ygw s ARG 77 Cb -0.13 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.54 1ygw s ARG 77 CO -0.07 -0.09 -0.11 0.54 -0.68 0.00 0.00 175.30 174.89 1ygw s VAL 78 N -0.60 3.32 -0.13 3.52 0.11 3.28 -1.21 120.40 128.68 1ygw s VAL 78 Ca -0.07 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1ygw s VAL 78 Cb -0.04 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.45 1ygw s VAL 78 CO 0.02 0.58 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.55 1ygw s VAL 79 N -0.57 3.08 0.00 2.04 1.01 -1.25 0.32 120.40 125.02 1ygw s VAL 79 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1ygw s VAL 79 Cb -0.12 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1ygw s VAL 79 CO 0.02 0.52 0.00 2.22 0.00 0.00 0.00 175.10 177.86 1ygw n PHE 80 N 3.54 -0.06 -3.66 5.22 -1.74 1.11 0.95 117.46 122.82 1ygw n PHE 80 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ygw n PHE 80 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.98 0.67 -1.37 5.98 3.02 -1.25 0.84 115.26 122.17 1ygw n ASN 81 Ca 0.00 -0.66 -0.02 0.00 -0.03 0.00 0.00 54.58 53.87 1ygw n ASN 81 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 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 2.62 -0.05 3.52 2.13 -1.25 -3.55 120.64 124.06 1ygw n GLU 82 Ca 0.00 -1.64 -0.03 0.00 0.66 0.00 0.00 57.16 56.15 1ygw n GLU 82 Cb 0.00 -1.82 -0.09 0.00 0.27 0.00 0.00 31.44 29.81 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 0.11 2.27 0.00 4.31 6.94 -1.26 -5.00 115.26 122.62 1ygw n ASN 83 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 1ygw n ASN 83 Cb 0.87 0.92 0.00 0.00 -2.36 0.00 0.00 39.78 39.21 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 -2.32 0.00 -2.78 0.53 2.04 -1.23 -5.12 115.26 106.38 1ygw n ASN 84 Ca -0.15 0.00 -0.06 0.00 -0.44 0.00 0.00 54.58 53.93 1ygw n ASN 84 Cb 0.76 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 38.03 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ygw n GLN 85 N -1.16 0.69 -4.13 -3.83 6.02 -1.26 -4.98 117.38 108.73 1ygw n GLN 85 Ca 0.00 -0.83 -0.22 0.00 -0.01 0.00 0.00 57.00 55.94 1ygw n GLN 85 Cb 0.00 -0.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.98 1ygw n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ygw s LEU 86 N 0.00 1.24 0.18 1.08 1.98 -1.26 -3.93 118.68 117.97 1ygw s LEU 86 Ca 0.18 -0.16 -0.02 0.00 -2.89 0.00 0.00 54.13 51.24 1ygw s LEU 86 Cb -0.01 -0.53 0.07 0.00 0.66 0.00 0.00 46.19 46.37 1ygw s LEU 86 CO 0.12 -0.07 1.45 0.00 -1.89 0.00 0.00 176.35 175.95 1ygw h ALA 87 N 7.42 0.61 0.00 5.97 0.00 4.59 -3.44 119.26 134.42 1ygw h ALA 87 Ca -0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1ygw h ALA 87 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ygw h ALA 87 CO 0.43 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1ygw n GLY 88 N 0.50 -0.63 2.74 0.00 0.00 -1.14 -4.24 105.19 102.42 1ygw n GLY 88 Ca -0.04 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.31 0.63 1.61 1.01 -1.26 -3.87 120.40 114.21 1ygw s VAL 89 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1ygw s VAL 89 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1ygw s VAL 89 CO 0.00 -0.60 0.97 0.27 0.00 0.00 0.00 175.10 175.74 1ygw s ILE 90 N 1.51 3.66 0.10 2.22 -4.36 -0.35 0.63 121.20 124.60 1ygw s ILE 90 Ca 0.16 0.19 -0.25 0.00 -0.26 0.00 0.00 60.65 60.49 1ygw s ILE 90 Cb -0.16 -3.48 0.08 0.00 1.25 0.00 0.00 42.46 40.15 1ygw s ILE 90 CO -0.06 -0.55 0.72 0.28 0.24 0.00 0.00 174.94 175.57 1ygw s THR 91 N -3.11 0.00 -1.47 8.37 -1.32 0.14 -1.53 115.64 116.72 1ygw s THR 91 Ca 0.55 -0.03 0.28 0.00 -1.21 0.00 0.00 61.69 61.27 1ygw s THR 91 Cb -0.11 -1.04 0.31 0.00 -1.51 0.00 0.00 72.50 70.16 1ygw s THR 91 CO 0.48 0.00 1.74 1.41 -2.21 0.00 0.00 174.62 176.03 1ygw n HIS 92 N -0.33 0.00 -0.89 9.09 8.25 -0.62 -2.02 115.22 128.70 1ygw n HIS 92 Ca -0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.19 1ygw n HIS 92 Cb 0.64 -0.22 -0.13 0.00 1.12 0.00 0.00 29.99 31.39 1ygw n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ygw n THR 93 N -1.07 0.00 -3.25 1.59 -1.04 -1.26 -0.11 114.28 109.15 1ygw n THR 93 Ca 0.11 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.60 1ygw n THR 93 Cb 0.31 -0.02 -0.05 0.00 -1.82 0.00 0.00 70.33 68.75 1ygw n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ygw n GLY 94 N 3.31 -0.22 0.37 3.41 0.00 -1.26 -4.69 105.19 106.10 1ygw n GLY 94 Ca 0.40 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 95 N 1.35 1.27 0.00 4.61 0.00 -0.76 -3.45 119.26 122.29 1ygw h ALA 95 Ca -0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ygw h ALA 95 Cb 0.79 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ygw h ALA 95 CO 0.51 0.65 0.00 0.45 0.00 0.00 0.00 179.25 180.86 1ygw n SER 96 N -4.37 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 105.95 1ygw n SER 96 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1ygw n SER 96 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.00 0.54 0.14 0.46 0.00 -1.26 -4.36 105.19 100.71 1ygw n GLY 97 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 1.04 -4.74 1.61 4.05 -1.26 -4.94 115.26 111.02 1ygw n ASN 98 Ca 0.00 -0.84 -0.37 0.00 0.45 0.00 0.00 54.58 53.82 1ygw n ASN 98 Cb 0.00 0.48 0.06 0.00 1.23 0.00 0.00 39.78 41.55 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 -2.80 4.86 0.38 1.20 6.03 -1.26 -5.00 114.94 118.35 1ygw s ASN 99 Ca 0.14 2.60 0.08 0.00 -1.03 0.00 0.00 52.86 54.65 1ygw s ASN 99 Cb 0.18 -2.62 -0.02 0.00 -3.03 0.00 0.00 41.25 35.76 1ygw s ASN 99 CO 0.69 -1.83 0.36 -0.36 -2.03 0.00 0.00 177.10 173.92 1ygw s PHE 100 N -1.41 2.82 -0.28 1.54 0.08 -1.26 -4.50 117.98 114.97 1ygw s PHE 100 Ca 0.79 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 57.26 1ygw s PHE 100 Cb -0.37 -2.00 0.10 0.00 -0.57 0.00 0.00 43.02 40.18 1ygw s PHE 100 CO 0.40 0.00 0.81 0.14 -0.10 0.00 0.00 175.22 176.47 1ygw s VAL 101 N -2.37 0.00 0.04 -0.44 -7.23 -0.85 -4.86 120.40 104.68 1ygw s VAL 101 Ca 0.45 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.29 1ygw s VAL 101 Cb -0.05 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.77 1ygw s VAL 101 CO 0.28 0.00 1.77 -1.84 -0.31 0.00 0.00 175.10 175.00 1ygw n GLU 102 N 3.40 2.29 0.00 4.82 0.28 -1.25 0.23 120.64 130.42 1ygw n GLU 102 Ca -0.17 0.84 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 1ygw n GLU 102 Cb 0.57 -2.67 0.00 0.00 1.43 0.00 0.00 31.44 30.77 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97