#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 4.30 0.00 -3.03 0.00 5.19 -1.91 -3.28 116.42 117.69 1ygw h ASP 3 Ca 0.42 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.44 1ygw h ASP 3 Cb 0.40 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.52 1ygw h ASP 3 CO 1.16 0.00 -0.71 -0.31 -3.12 0.00 0.00 179.24 176.26 1ygw s TYR 4 N -4.75 0.03 -0.28 4.55 2.02 -1.26 -4.91 117.35 112.75 1ygw s TYR 4 Ca -0.04 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1ygw s TYR 4 Cb 0.23 -0.52 0.07 0.00 -0.40 0.00 0.00 41.96 41.33 1ygw s TYR 4 CO 0.76 -0.41 -0.04 0.99 -1.57 0.00 0.00 175.55 175.28 1ygw s THR 5 N 2.20 1.91 -1.48 -0.71 2.01 -1.24 -0.11 115.64 118.22 1ygw s THR 5 Ca 0.04 -1.67 -0.13 0.00 0.31 0.00 0.00 61.69 60.24 1ygw s THR 5 Cb -0.14 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.20 1ygw s THR 5 CO -0.08 -0.24 2.34 0.00 -0.69 0.00 0.00 174.62 175.96 1ygw n GLY 7 N 3.91 1.89 2.70 0.00 0.00 -1.26 -4.22 105.19 108.21 1ygw n GLY 7 Ca 0.56 -0.24 -0.07 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 2.56 -1.61 -1.24 1.61 3.41 -1.26 -5.06 113.62 112.02 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 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.56 1.69 -2.69 4.04 3.02 -1.26 -5.10 115.26 114.39 1ygw n ASN 9 Ca -0.02 -0.67 -0.04 0.00 -0.03 0.00 0.00 54.58 53.82 1ygw n ASN 9 Cb 0.85 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 40.05 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 2.48 2.11 -0.52 0.00 4.01 0.84 -4.89 117.16 121.20 1ygw n TYR 11 Ca 0.12 -2.26 -0.17 0.00 -0.16 0.00 0.00 57.90 55.43 1ygw n TYR 11 Cb 0.64 -1.46 0.01 0.00 -0.31 0.00 0.00 39.34 38.22 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 0.84 -1.86 -0.05 7.72 3.41 -1.25 -2.91 113.62 119.51 1ygw n SER 12 Ca 0.53 0.23 0.19 0.00 -0.26 0.00 0.00 58.87 59.56 1ygw n SER 12 Cb 0.41 -0.36 0.29 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.20 0.00 0.11 4.04 3.41 -1.26 0.62 113.62 121.74 1ygw n SER 13 Ca 0.02 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1ygw n SER 13 Cb 0.22 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.56 4.04 0.87 -1.96 -3.00 113.55 115.05 1ygw h SER 14 Ca 0.33 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 1ygw h SER 14 Cb 2.56 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.52 1ygw h SER 14 CO -0.00 0.57 -0.45 0.44 -0.53 0.00 0.00 176.83 176.85 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.80 -3.13 116.42 126.52 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 1.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.97 1ygw h ASP 15 CO 0.07 0.16 0.00 0.52 -3.12 0.00 0.00 179.24 176.87 1ygw n VAL 16 N -3.02 0.00 -0.34 -1.35 0.31 -0.49 -2.43 118.33 111.02 1ygw n VAL 16 Ca 0.02 0.72 -0.01 0.00 -0.01 0.00 0.00 64.34 65.06 1ygw n VAL 16 Cb 0.61 -1.64 0.05 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.27 -0.63 4.52 0.87 -1.70 0.68 113.55 116.02 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 0.69 -0.11 0.00 -0.44 0.00 0.00 62.40 62.54 1ygw h SER 17 CO 0.00 -0.30 -0.04 0.74 -0.53 0.00 0.00 176.83 176.70 1ygw h THR 18 N -0.03 0.45 -0.56 2.23 2.02 -1.68 1.06 112.91 116.39 1ygw h THR 18 Ca 0.34 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.51 1ygw h THR 18 Cb 0.60 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1ygw h THR 18 CO -0.92 0.01 0.36 0.00 0.37 0.00 0.00 175.52 175.34 1ygw h ALA 19 N 1.59 0.71 0.72 6.16 0.00 0.58 -2.90 119.26 126.13 1ygw h ALA 19 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ygw h ALA 19 Cb 0.52 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ygw h ALA 19 CO -0.57 0.11 -0.35 1.96 0.00 0.00 0.00 179.25 180.41 1ygw h GLN 20 N 0.73 -0.93 -1.04 0.00 4.20 0.19 -2.49 115.11 115.76 1ygw h GLN 20 Ca 0.21 0.06 0.36 0.00 0.06 0.00 0.00 58.65 59.34 1ygw h GLN 20 Cb -0.05 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 1ygw h GLN 20 CO -0.06 -0.59 0.68 0.00 -0.67 0.00 0.00 178.83 178.18 1ygw n ALA 21 N -2.60 1.03 0.10 3.87 0.00 0.33 0.25 120.51 123.49 1ygw n ALA 21 Ca -0.13 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1ygw n ALA 21 Cb 0.40 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 1.14 -0.32 -0.61 0.00 0.00 -1.26 0.78 119.26 118.99 1ygw h ALA 22 Ca 0.65 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.40 1ygw h ALA 22 Cb 2.14 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 1ygw h ALA 22 CO -0.32 -0.38 0.36 0.78 0.00 0.00 0.00 179.25 179.69 1ygw h GLY 23 N -0.92 0.88 0.51 0.00 0.00 0.37 -1.86 103.07 102.05 1ygw h GLY 23 Ca -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1ygw h GLY 23 CO 0.05 0.21 -0.24 -1.82 0.00 0.00 0.00 176.54 174.74 1ygw h TYR 24 N 0.70 -0.63 -0.55 5.60 3.20 0.80 0.18 116.97 126.27 1ygw h TYR 24 Ca 0.26 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1ygw h TYR 24 Cb 0.07 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 1ygw h TYR 24 CO -0.06 -0.39 -0.32 1.17 -1.64 0.00 0.00 178.16 176.91 1ygw n LYS 25 N -4.34 -0.24 -0.22 1.82 3.00 0.27 0.29 118.16 118.73 1ygw n LYS 25 Ca -0.08 1.18 0.08 0.00 -0.00 0.00 0.00 58.31 59.49 1ygw n LYS 25 Cb 0.27 -1.75 0.35 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 0.68 0.02 3.14 5.85 -1.41 -0.43 115.31 123.17 1ygw h LEU 26 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ygw h LEU 26 Cb 0.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1ygw h LEU 26 CO -0.52 0.41 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.24 1ygw h HIS 27 N 0.76 -0.03 -0.15 1.25 2.76 0.58 0.33 115.15 120.65 1ygw h HIS 27 Ca 0.36 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.58 1ygw h HIS 27 Cb 0.41 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1ygw h HIS 27 CO -0.00 0.17 0.13 0.93 -1.30 0.00 0.00 177.93 177.86 1ygw h GLU 28 N -0.22 0.00 0.00 5.26 5.08 0.55 0.52 114.58 125.76 1ygw h GLU 28 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.01 0.00 -0.61 -0.44 -1.00 0.00 0.00 179.01 176.97 1ygw h ASP 29 N 0.00 0.00 -0.69 1.42 5.19 -0.52 -3.47 116.42 118.35 1ygw h ASP 29 Ca 0.07 -0.20 -0.16 0.00 -0.62 0.00 0.00 57.03 56.13 1ygw h ASP 29 Cb 0.33 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 1ygw h ASP 29 CO -0.00 0.10 -0.17 0.61 -3.12 0.00 0.00 179.24 176.66 1ygw n GLY 30 N 1.33 0.57 4.00 2.75 0.00 0.18 -5.02 105.19 109.00 1ygw n GLY 30 Ca 0.03 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.42 2.39 0.40 1.61 0.41 0.64 -5.00 118.70 115.73 1ygw s GLU 31 Ca 0.00 -1.64 0.04 0.00 -0.41 0.00 0.00 54.97 52.96 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 -0.70 0.11 0.95 -0.49 0.00 0.00 175.26 175.12 1ygw s THR 32 N -2.63 0.74 -0.06 3.63 -4.23 -1.26 -4.44 115.64 107.39 1ygw s THR 32 Ca 0.56 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1ygw s THR 32 Cb -0.06 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.38 1ygw s THR 32 CO 0.35 0.00 -0.10 0.68 -0.54 0.00 0.00 174.62 175.01 1ygw s VAL 33 N -3.21 0.98 0.00 2.29 -7.23 -0.28 -4.97 120.40 107.99 1ygw s VAL 33 Ca 0.25 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1ygw s VAL 33 Cb 0.04 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1ygw s VAL 33 CO 0.14 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1ygw n GLY 34 N 3.86 -0.33 0.00 2.32 0.00 1.27 -3.55 105.19 108.77 1ygw n GLY 34 Ca -0.24 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 44.82 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 0.47 0.72 -2.51 1.61 7.64 -1.26 -4.92 113.62 115.37 1ygw n SER 35 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1ygw n SER 35 Cb 0.00 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.55 0.00 -2.44 6.43 4.13 -1.25 -4.98 115.26 115.61 1ygw n ASN 36 Ca 0.04 -0.41 -0.19 0.00 1.68 0.00 0.00 54.58 55.70 1ygw n ASN 36 Cb 0.34 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.60 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 -1.24 3.74 -4.89 6.41 3.41 -1.26 -4.57 113.62 115.21 1ygw n SER 37 Ca 0.00 -3.32 -0.35 0.00 -0.26 0.00 0.00 58.87 54.94 1ygw n SER 37 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.51 3.57 0.12 7.33 1.51 -1.26 -3.89 117.35 121.22 1ygw s TYR 38 Ca 0.42 0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.93 1ygw s TYR 38 Cb 0.40 -1.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1ygw s TYR 38 CO -0.07 0.66 0.13 -0.35 -1.11 0.00 0.00 175.55 174.82 1ygw n PRO 39 N 1.24 -0.69 -3.62 -1.71 -0.04 -1.26 -1.12 135.00 127.80 1ygw n PRO 39 Ca -0.13 -0.21 -0.03 0.00 -0.04 0.00 0.00 63.50 63.09 1ygw n PRO 39 Cb 0.53 -0.16 -0.02 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.27 -0.08 0.57 0.54 -3.43 -1.16 -4.98 115.29 105.49 1ygw s HIS 40 Ca 0.08 0.07 -0.18 0.00 -0.80 0.00 0.00 55.06 54.23 1ygw s HIS 40 Cb -0.00 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.54 1ygw s HIS 40 CO 0.06 -0.11 0.28 1.17 -2.00 0.00 0.00 174.74 174.14 1ygw n LYS 41 N 0.07 0.31 0.00 -0.38 4.81 -1.26 -0.46 118.16 121.25 1ygw n LYS 41 Ca 0.02 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1ygw n LYS 41 Cb 0.58 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ygw n TYR 42 N -1.72 0.00 0.00 5.64 4.19 0.62 -4.51 117.16 121.39 1ygw n TYR 42 Ca 0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1ygw n TYR 42 Cb 0.48 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.31 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 -0.96 0.00 0.00 2.98 5.03 -0.97 -4.79 115.26 116.55 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 5.47 0.00 0.00 6.41 6.94 -1.26 -4.79 115.26 128.04 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 -1.36 0.00 0.25 -2.53 4.02 -1.26 -4.94 117.16 111.34 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 5.08 -1.99 -3.41 114.58 113.54 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1ygw n GLY 47 N -1.30 0.73 3.77 -3.84 0.00 -1.26 -5.12 105.19 98.16 1ygw n GLY 47 Ca -0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.48 3.52 -1.20 1.61 0.08 -1.26 -5.00 117.98 115.26 1ygw s PHE 48 Ca 0.00 0.65 -0.04 0.00 0.12 0.00 0.00 56.93 57.66 1ygw s PHE 48 Cb 0.00 -2.28 0.21 0.00 -0.57 0.00 0.00 43.02 40.38 1ygw s PHE 48 CO 0.00 0.37 2.09 -0.25 -0.10 0.00 0.00 175.22 177.33 1ygw n ASP 49 N 3.07 7.48 -4.55 1.36 8.00 -1.26 -4.90 116.55 125.74 1ygw n ASP 49 Ca -0.13 -3.36 -0.34 0.00 0.71 0.00 0.00 54.79 51.67 1ygw n ASP 49 Cb 0.52 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.29 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 -2.29 1.51 -0.45 1.24 0.08 -1.26 -4.78 117.98 112.02 1ygw s PHE 50 Ca 0.46 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1ygw s PHE 50 Cb 0.17 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1ygw s PHE 50 CO -0.09 -2.21 0.54 -1.13 -0.10 0.00 0.00 175.22 172.24 1ygw n SER 51 N 14.18 1.46 -4.57 1.36 3.41 -1.26 -4.72 113.62 123.48 1ygw n SER 51 Ca 0.30 -1.40 -0.24 0.00 -0.26 0.00 0.00 58.87 57.27 1ygw n SER 51 Cb 0.51 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.29 2.84 0.01 -3.33 -7.23 -1.26 -5.11 120.40 106.03 1ygw s VAL 52 Ca 0.00 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 57.84 1ygw s VAL 52 Cb 0.00 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1ygw s VAL 52 CO 0.00 -0.34 0.56 -0.44 -0.31 0.00 0.00 175.10 174.57 1ygw s SER 53 N -3.62 6.96 1.10 4.85 0.01 -1.26 -5.04 113.70 116.69 1ygw s SER 53 Ca 0.32 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.58 1ygw s SER 53 Cb -0.04 -2.35 0.24 0.00 0.21 0.00 0.00 66.02 64.08 1ygw s SER 53 CO 0.18 0.16 1.06 -0.94 0.41 0.00 0.00 173.24 174.11 1ygw s SER 54 N -0.43 1.70 0.65 2.44 1.04 -1.26 -4.65 113.70 113.19 1ygw s SER 54 Ca 0.29 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 57.85 1ygw s SER 54 Cb -0.18 -1.96 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1ygw s SER 54 CO 0.17 -3.71 1.05 -2.16 0.98 0.00 0.00 173.24 169.57 1ygw s PRO 55 N -4.78 3.15 -0.26 4.02 0.04 -1.26 -4.82 135.00 131.08 1ygw s PRO 55 Ca 0.67 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1ygw s PRO 55 Cb -0.21 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1ygw s PRO 55 CO 0.61 -0.94 0.27 0.71 0.04 0.00 0.00 177.00 177.69 1ygw s TYR 56 N -2.81 3.26 -0.17 0.56 2.02 -1.25 -3.84 117.35 115.13 1ygw s TYR 56 Ca 0.60 0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 57.51 1ygw s TYR 56 Cb -0.14 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1ygw s TYR 56 CO 0.47 -0.13 0.11 0.71 -1.57 0.00 0.00 175.55 175.14 1ygw s TYR 57 N 1.71 3.41 -0.15 2.71 2.02 4.53 0.23 117.35 131.80 1ygw s TYR 57 Ca 0.11 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 57.05 1ygw s TYR 57 Cb -0.15 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1ygw s TYR 57 CO 0.09 0.38 0.13 -1.83 -1.57 0.00 0.00 175.55 172.75 1ygw s GLU 58 N -0.06 3.72 -0.02 -0.62 -1.05 0.39 0.33 118.70 121.38 1ygw s GLU 58 Ca 0.09 -0.19 -0.17 0.00 -0.15 0.00 0.00 54.97 54.55 1ygw s GLU 58 Cb -0.12 -3.25 0.03 0.00 -0.44 0.00 0.00 34.13 30.35 1ygw s GLU 58 CO 0.00 0.58 0.36 -0.46 0.95 0.00 0.00 175.26 176.69 1ygw s TRP 59 N -0.45 -0.25 0.58 4.83 -0.11 0.59 -2.99 118.94 121.14 1ygw s TRP 59 Ca 0.12 0.41 -0.16 0.00 1.22 0.00 0.00 56.10 57.68 1ygw s TRP 59 Cb -0.12 0.14 -0.04 0.00 -1.50 0.00 0.00 33.47 31.95 1ygw s TRP 59 CO 0.02 -0.41 1.05 -1.25 -4.62 0.00 0.00 176.95 171.73 1ygw s PRO 60 N -1.26 3.43 -0.22 5.86 0.04 -1.26 1.01 135.00 142.60 1ygw s PRO 60 Ca -0.13 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1ygw s PRO 60 Cb -0.04 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1ygw s PRO 60 CO 0.05 -0.72 -0.15 -1.50 0.04 0.00 0.00 177.00 174.73 1ygw s ILE 61 N -2.45 2.22 -0.15 0.56 2.07 -1.02 -4.43 121.20 118.01 1ygw s ILE 61 Ca 0.63 -1.22 -0.26 0.00 -1.41 0.00 0.00 60.65 58.39 1ygw s ILE 61 Cb -0.15 -2.11 -0.01 0.00 0.13 0.00 0.00 42.46 40.32 1ygw s ILE 61 CO 0.35 0.27 0.87 -0.76 -1.91 0.00 0.00 174.94 173.76 1ygw s LEU 62 N 1.22 4.20 0.14 8.50 1.43 -1.26 -4.78 118.68 128.13 1ygw s LEU 62 Ca -0.01 1.26 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1ygw s LEU 62 Cb -0.16 -3.31 0.47 0.00 0.03 0.00 0.00 46.19 43.22 1ygw s LEU 62 CO -0.09 -0.40 1.22 -1.54 0.23 0.00 0.00 176.35 175.77 1ygw n SER 63 N 5.14 0.22 0.02 2.29 3.41 -1.26 0.15 113.62 123.58 1ygw n SER 63 Ca 0.05 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 1ygw n SER 63 Cb 0.49 -0.58 0.14 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.78 0.61 -0.80 4.04 7.64 -1.26 -4.95 113.62 117.12 1ygw n SER 64 Ca -0.01 -0.26 -0.03 0.00 1.01 0.00 0.00 58.87 59.58 1ygw n SER 64 Cb 0.08 0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 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 1.44 0.59 1.59 0.23 0.00 0.39 -5.06 105.19 104.37 1ygw n GLY 65 Ca 0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 0.98 2.10 -4.45 1.61 8.00 -1.26 -4.86 116.55 118.67 1ygw n ASP 66 Ca -0.01 -1.87 -0.43 0.00 0.71 0.00 0.00 54.79 53.20 1ygw n ASP 66 Cb 0.51 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.41 5.22 1.04 2.53 1.01 -1.26 -4.29 120.40 123.23 1ygw s VAL 67 Ca 0.08 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1ygw s VAL 67 Cb -0.01 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1ygw s VAL 67 CO 0.05 -0.33 -1.07 0.00 0.00 0.00 0.00 175.10 173.75 1ygw n TYR 68 N 5.15 -1.32 -0.11 5.22 9.36 -1.26 -4.96 117.16 129.23 1ygw n TYR 68 Ca -0.11 0.51 -0.22 0.00 3.32 0.00 0.00 57.90 61.40 1ygw n TYR 68 Cb 0.47 -1.44 -0.09 0.00 -0.63 0.00 0.00 39.34 37.66 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 1.84 1.91 0.00 2.98 3.41 -1.26 -4.89 113.62 117.61 1ygw n SER 69 Ca -0.01 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1ygw n SER 69 Cb 0.71 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.38 4.50 2.07 5.00 0.00 -1.23 0.39 105.19 117.29 1ygw n GLY 70 Ca -0.37 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.85 1.16 3.28 -0.02 0.00 -1.26 -4.54 105.19 101.96 1ygw n GLY 71 Ca 0.00 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 1ygw n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ygw s SER 72 N -4.00 6.17 -0.07 1.61 0.15 -1.26 -4.92 113.70 111.39 1ygw s SER 72 Ca 0.00 -2.12 -0.15 0.00 0.70 0.00 0.00 55.95 54.38 1ygw s SER 72 Cb 0.00 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 62.06 1ygw s SER 72 CO 0.00 -0.72 0.58 1.55 1.20 0.00 0.00 173.24 175.85 1ygw h PRO 73 N 8.38 -0.24 0.00 5.44 0.13 -1.90 -3.48 132.00 140.34 1ygw h PRO 73 Ca -0.16 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ygw h PRO 73 Cb 1.07 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ygw h PRO 73 CO 0.90 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 1ygw n GLY 74 N 0.91 0.00 4.96 1.56 0.00 -1.26 -4.93 105.19 106.43 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 0.00 0.00 -1.68 4.61 0.00 -1.26 -4.82 120.51 117.36 1ygw n ALA 75 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1ygw n ALA 75 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ygw n ASP 76 N 1.19 3.41 -3.72 0.00 8.00 -1.26 -2.54 116.55 121.64 1ygw n ASP 76 Ca 0.00 1.05 -0.12 0.00 0.71 0.00 0.00 54.79 56.43 1ygw n ASP 76 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.54 1ygw n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ygw s ARG 77 N 1.56 0.44 -0.18 -1.24 1.81 -0.05 -2.44 118.95 118.85 1ygw s ARG 77 Ca 0.80 0.64 -0.08 0.00 -1.72 0.00 0.00 55.73 55.36 1ygw s ARG 77 Cb -0.63 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 1ygw s ARG 77 CO 0.38 -0.09 0.09 0.54 -0.68 0.00 0.00 175.30 175.55 1ygw s VAL 78 N 0.62 5.09 -0.17 3.52 0.11 6.88 -0.51 120.40 135.94 1ygw s VAL 78 Ca -0.03 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1ygw s VAL 78 Cb -0.05 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1ygw s VAL 78 CO -0.04 0.47 0.01 -0.69 -3.33 0.00 0.00 175.10 171.52 1ygw s VAL 79 N 0.23 4.27 0.00 2.04 1.01 -1.22 0.22 120.40 126.95 1ygw s VAL 79 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ygw s VAL 79 Cb -0.12 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ygw s VAL 79 CO -0.01 0.47 0.00 2.22 0.00 0.00 0.00 175.10 177.78 1ygw n PHE 80 N 3.66 -0.04 -3.42 5.22 -1.74 1.00 1.05 117.46 123.20 1ygw n PHE 80 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 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 -0.63 0.50 -1.40 5.98 3.02 -1.25 0.82 115.26 122.30 1ygw n ASN 81 Ca 0.00 -0.42 0.02 0.00 -0.03 0.00 0.00 54.58 54.15 1ygw n ASN 81 Cb 0.00 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.40 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 3.22 -0.06 3.52 0.00 -1.25 -3.66 120.64 122.42 1ygw n GLU 82 Ca 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 57.16 55.19 1ygw n GLU 82 Cb 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 31.44 29.38 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ygw n ASN 83 N 0.29 1.55 0.00 4.31 6.94 -1.26 -5.00 115.26 122.09 1ygw n ASN 83 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1ygw n ASN 83 Cb 0.88 0.99 0.00 0.00 -2.36 0.00 0.00 39.78 39.29 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 -2.43 0.00 -2.93 0.53 2.04 -1.24 -5.12 115.26 106.11 1ygw n ASN 84 Ca -0.19 0.00 -0.07 0.00 -0.44 0.00 0.00 54.58 53.87 1ygw n ASN 84 Cb 0.86 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 38.14 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 -1.18 0.57 -3.96 -3.83 6.02 -1.26 -4.97 117.38 108.78 1ygw n GLN 85 Ca 0.00 -0.99 -0.19 0.00 -0.01 0.00 0.00 57.00 55.81 1ygw n GLN 85 Cb 0.00 -0.17 -0.16 0.00 1.02 0.00 0.00 30.24 30.93 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 1.09 0.21 1.08 1.98 -1.26 -3.88 118.68 117.91 1ygw s LEU 86 Ca 0.22 -0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.44 1ygw s LEU 86 Cb -0.01 -0.30 0.16 0.00 0.66 0.00 0.00 46.19 46.69 1ygw s LEU 86 CO 0.14 -0.11 1.49 0.00 -1.89 0.00 0.00 176.35 175.99 1ygw h ALA 87 N 7.42 0.73 0.00 5.97 0.00 5.77 -3.45 119.26 135.70 1ygw h ALA 87 Ca -0.37 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1ygw h ALA 87 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ygw h ALA 87 CO 0.43 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1ygw n GLY 88 N 0.48 -0.48 2.50 0.00 0.00 -1.13 -4.50 105.19 102.07 1ygw n GLY 88 Ca -0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 0.19 0.68 1.61 1.01 -1.26 -3.40 120.40 115.22 1ygw s VAL 89 Ca 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 1ygw s VAL 89 Cb 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.27 1ygw s VAL 89 CO 0.00 -0.92 1.01 0.27 0.00 0.00 0.00 175.10 175.47 1ygw s ILE 90 N 1.28 2.79 -0.19 2.22 -4.36 0.33 0.53 121.20 123.79 1ygw s ILE 90 Ca 0.16 -0.06 -0.27 0.00 -0.26 0.00 0.00 60.65 60.21 1ygw s ILE 90 Cb -0.21 -3.19 0.08 0.00 1.25 0.00 0.00 42.46 40.38 1ygw s ILE 90 CO -0.08 -0.22 0.74 0.28 0.24 0.00 0.00 174.94 175.90 1ygw s THR 91 N -3.23 0.00 -0.63 8.37 -1.32 0.49 -0.87 115.64 118.45 1ygw s THR 91 Ca 0.58 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1ygw s THR 91 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1ygw s THR 91 CO 0.46 0.00 0.46 1.41 -2.21 0.00 0.00 174.62 174.75 1ygw n HIS 92 N 1.98 0.00 -1.53 9.09 8.25 -1.05 -2.72 115.22 129.25 1ygw n HIS 92 Ca -0.15 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.05 1ygw n HIS 92 Cb 0.56 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 0.34 0.00 -3.71 1.59 -1.04 -1.26 -3.48 114.28 106.72 1ygw n THR 93 Ca 0.00 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.56 1ygw n THR 93 Cb 0.23 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 66.91 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 6.14 -0.39 0.00 3.41 0.00 -1.26 -4.68 105.19 108.42 1ygw n GLY 94 Ca 0.40 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.31 1.89 0.00 4.61 0.00 -1.23 -4.64 120.51 117.83 1ygw n ALA 95 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ygw n ALA 95 Cb 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.21 0.00 0.00 0.00 2.88 -1.26 -4.47 113.62 109.56 1ygw n SER 96 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ygw n SER 96 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.85 1.37 0.46 0.00 -1.26 -4.14 105.19 102.48 1ygw n GLY 97 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 2.77 4.02 -4.91 1.61 4.05 -1.26 -4.89 115.26 116.66 1ygw n ASN 98 Ca 0.00 -2.46 -0.28 0.00 0.45 0.00 0.00 54.58 52.29 1ygw n ASN 98 Cb 0.00 -0.55 0.03 0.00 1.23 0.00 0.00 39.78 40.49 1ygw n ASN 98 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1ygw s ASN 99 N -0.72 5.74 0.21 1.20 -0.87 -1.26 -5.08 114.94 114.16 1ygw s ASN 99 Ca 0.40 0.89 0.08 0.00 -1.57 0.00 0.00 52.86 52.65 1ygw s ASN 99 Cb 0.27 -1.91 -0.05 0.00 -0.02 0.00 0.00 41.25 39.55 1ygw s ASN 99 CO 0.16 -1.01 -0.14 -0.36 -2.57 0.00 0.00 177.10 173.18 1ygw s PHE 100 N -3.03 1.76 -0.28 2.20 0.08 -1.26 -4.24 117.98 113.20 1ygw s PHE 100 Ca 0.54 -0.56 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 1ygw s PHE 100 Cb -0.11 -0.82 0.10 0.00 -0.57 0.00 0.00 43.02 41.62 1ygw s PHE 100 CO 0.47 0.38 0.79 0.14 -0.10 0.00 0.00 175.22 176.90 1ygw s VAL 101 N -2.95 0.00 -0.01 -0.44 -7.23 -1.10 -4.86 120.40 103.82 1ygw s VAL 101 Ca 0.23 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.07 1ygw s VAL 101 Cb -0.01 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.82 1ygw s VAL 101 CO 0.08 0.00 1.85 -0.62 -0.31 0.00 0.00 175.10 176.09 1ygw n GLU 102 N 3.67 2.36 -0.07 4.82 1.02 -1.25 -0.38 120.64 130.81 1ygw n GLU 102 Ca -0.18 0.86 -0.04 0.00 -0.02 0.00 0.00 57.16 57.79 1ygw n GLU 102 Cb 0.58 -2.72 0.04 0.00 -0.02 0.00 0.00 31.44 29.31 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31