#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 4.74 0.12 -3.60 0.00 9.92 -1.26 -4.83 116.55 121.63 1ygw n ASP 3 Ca -0.17 -0.52 -0.28 0.00 -0.53 0.00 0.00 54.79 53.29 1ygw n ASP 3 Cb 0.55 1.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.92 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 -1.12 2.03 -0.53 1.24 2.02 -1.20 -4.71 117.35 115.07 1ygw s TYR 4 Ca 0.00 -2.67 -0.20 0.00 -0.37 0.00 0.00 57.07 53.84 1ygw s TYR 4 Cb 0.01 -1.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.00 1ygw s TYR 4 CO 0.05 -0.73 0.69 0.99 -1.57 0.00 0.00 175.55 174.98 1ygw s THR 5 N -0.41 4.79 -1.57 -0.71 2.01 -1.10 -3.40 115.64 115.24 1ygw s THR 5 Ca 0.28 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1ygw s THR 5 Cb -0.03 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1ygw s THR 5 CO -0.16 -0.93 2.75 0.00 -0.69 0.00 0.00 174.62 175.60 1ygw n GLY 7 N 3.63 0.74 2.57 0.00 0.00 -1.26 -3.92 105.19 106.95 1ygw n GLY 7 Ca 0.71 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.54 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 1.66 3.02 -2.39 1.61 3.41 -1.26 -5.06 113.62 114.59 1ygw n SER 8 Ca 0.00 -3.22 -0.12 0.00 -0.26 0.00 0.00 58.87 55.27 1ygw n SER 8 Cb 0.00 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 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 -0.24 -0.52 -2.67 4.04 3.02 -1.25 -4.94 115.26 112.70 1ygw n ASN 9 Ca 0.24 -2.36 -0.04 0.00 -0.03 0.00 0.00 54.58 52.39 1ygw n ASN 9 Cb 0.72 1.15 0.10 0.00 -0.61 0.00 0.00 39.78 41.14 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 0.07 2.28 1.40 0.00 -0.85 -1.22 -4.61 117.35 114.43 1ygw s TYR 11 Ca 0.22 -2.22 -0.21 0.00 -0.52 0.00 0.00 57.07 54.34 1ygw s TYR 11 Cb 0.27 -2.07 0.36 0.00 0.38 0.00 0.00 41.96 40.91 1ygw s TYR 11 CO -0.17 -0.87 0.93 -1.12 -1.52 0.00 0.00 175.55 172.80 1ygw s SER 12 N 1.13 -0.93 0.53 -0.18 0.01 -1.26 -3.89 113.70 109.10 1ygw s SER 12 Ca 0.12 1.01 0.20 0.00 1.31 0.00 0.00 55.95 58.59 1ygw s SER 12 Cb -0.19 -1.47 1.08 0.00 0.21 0.00 0.00 66.02 65.65 1ygw s SER 12 CO -0.15 -5.31 1.56 0.77 0.41 0.00 0.00 173.24 170.53 1ygw h SER 13 N -3.38 0.00 0.97 2.44 4.64 -1.97 1.66 113.55 117.91 1ygw h SER 13 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 1ygw h SER 13 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1ygw h SER 13 CO 0.32 0.00 -1.06 -1.28 -0.87 0.00 0.00 176.83 173.94 1ygw h SER 14 N 0.00 0.00 0.22 4.97 0.87 -2.00 -2.98 113.55 114.63 1ygw h SER 14 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1ygw h SER 14 Cb 0.80 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1ygw h SER 14 CO 0.00 0.94 -1.56 0.44 -0.53 0.00 0.00 176.83 176.12 1ygw h ASP 15 N 0.00 0.72 -0.08 6.23 5.19 0.21 -3.34 116.42 125.35 1ygw h ASP 15 Ca -0.05 -0.93 0.03 0.00 -0.62 0.00 0.00 57.03 55.46 1ygw h ASP 15 Cb 1.76 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 41.00 1ygw h ASP 15 CO 0.11 1.73 -0.13 0.58 -3.12 0.00 0.00 179.24 178.41 1ygw h VAL 16 N 0.08 0.65 -0.86 -1.35 2.07 -1.10 -2.19 116.25 113.56 1ygw h VAL 16 Ca -0.29 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.37 1ygw h VAL 16 Cb 2.10 0.65 -0.15 0.00 -1.52 0.00 0.00 31.29 32.37 1ygw h VAL 16 CO 0.22 0.00 -0.30 -0.24 0.02 0.00 0.00 177.57 177.27 1ygw n SER 17 N -5.27 -0.48 -0.15 0.57 2.88 -1.13 0.12 113.62 110.17 1ygw n SER 17 Ca -0.04 1.49 -0.05 0.00 -1.33 0.00 0.00 58.87 58.93 1ygw n SER 17 Cb 0.19 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.29 -0.78 2.46 2.02 -1.53 0.45 112.91 115.81 1ygw h THR 18 Ca 0.33 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.54 1ygw h THR 18 Cb 0.55 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1ygw h THR 18 CO -0.86 0.00 0.50 0.00 0.37 0.00 0.00 175.52 175.53 1ygw h ALA 19 N 1.06 1.03 0.41 6.16 0.00 0.99 -2.69 119.26 126.22 1ygw h ALA 19 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ygw h ALA 19 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ygw h ALA 19 CO -0.57 0.31 -0.34 1.96 0.00 0.00 0.00 179.25 180.61 1ygw h GLN 20 N 0.97 -0.72 -1.09 0.00 4.20 0.23 -1.40 115.11 117.30 1ygw h GLN 20 Ca 0.31 0.05 0.39 0.00 0.06 0.00 0.00 58.65 59.47 1ygw h GLN 20 Cb 0.01 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 27.83 1ygw h GLN 20 CO -0.11 -0.48 0.68 0.00 -0.67 0.00 0.00 178.83 178.25 1ygw n ALA 21 N -2.61 1.09 0.28 3.87 0.00 0.13 0.14 120.51 123.42 1ygw n ALA 21 Ca -0.10 0.77 -0.12 0.00 0.00 0.00 0.00 53.44 53.98 1ygw n ALA 21 Cb 0.36 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 1.44 -0.77 -0.90 0.00 0.00 -1.20 0.87 119.26 118.71 1ygw h ALA 22 Ca 0.74 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.58 1ygw h ALA 22 Cb 2.29 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 20.31 1ygw h ALA 22 CO -0.46 -0.73 0.58 0.78 0.00 0.00 0.00 179.25 179.42 1ygw h GLY 23 N -1.18 1.29 0.41 0.00 0.00 0.16 -2.24 103.07 101.50 1ygw h GLY 23 Ca -0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1ygw h GLY 23 CO 0.13 0.17 -0.20 -1.82 0.00 0.00 0.00 176.54 174.83 1ygw h TYR 24 N 0.85 -0.51 -0.69 5.60 5.03 0.94 0.11 116.97 128.30 1ygw h TYR 24 Ca 0.43 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.79 1ygw h TYR 24 Cb 0.48 0.17 -0.08 0.00 1.55 0.00 0.00 36.73 38.85 1ygw h TYR 24 CO -0.00 -0.31 -0.41 1.17 -1.32 0.00 0.00 178.16 177.29 1ygw n LYS 25 N -4.01 -0.30 -0.15 1.82 3.00 0.30 0.30 118.16 119.12 1ygw n LYS 25 Ca -0.07 1.22 0.06 0.00 -0.00 0.00 0.00 58.31 59.52 1ygw n LYS 25 Cb 0.21 -1.80 0.37 0.00 0.00 0.00 0.00 35.03 33.82 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 0.61 0.05 3.14 5.85 -1.49 -0.50 115.31 122.98 1ygw h LEU 26 Ca 0.11 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ygw h LEU 26 Cb 0.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1ygw h LEU 26 CO -0.65 0.40 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.09 1ygw h HIS 27 N 0.70 -0.06 -0.16 1.25 2.76 0.67 0.54 115.15 120.85 1ygw h HIS 27 Ca 0.28 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.50 1ygw h HIS 27 Cb 0.22 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1ygw h HIS 27 CO -0.00 0.24 0.15 0.93 -1.30 0.00 0.00 177.93 177.95 1ygw h GLU 28 N -0.36 0.00 0.00 5.26 5.08 0.55 0.53 114.58 125.64 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 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ygw h GLU 28 CO 0.01 0.00 -0.81 -0.44 -1.00 0.00 0.00 179.01 176.78 1ygw h ASP 29 N 0.00 0.00 -0.22 1.42 5.19 -0.68 -3.48 116.42 118.66 1ygw h ASP 29 Ca 0.07 -0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1ygw h ASP 29 Cb 0.38 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1ygw h ASP 29 CO -0.00 0.07 -0.06 0.61 -3.12 0.00 0.00 179.24 176.74 1ygw n GLY 30 N 1.27 0.54 4.02 2.75 0.00 0.19 -5.04 105.19 108.93 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 -2.68 2.32 0.28 1.61 0.41 0.15 -4.99 118.70 115.81 1ygw s GLU 31 Ca 0.00 -1.42 0.04 0.00 -0.41 0.00 0.00 54.97 53.18 1ygw s GLU 31 Cb 0.00 -2.61 -0.06 0.00 -1.78 0.00 0.00 34.13 29.68 1ygw s GLU 31 CO 0.00 -0.83 0.03 0.95 -0.49 0.00 0.00 175.26 174.92 1ygw s THR 32 N -2.69 1.11 -0.07 3.63 -4.23 -1.26 -4.40 115.64 107.74 1ygw s THR 32 Ca 0.61 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1ygw s THR 32 Cb -0.07 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1ygw s THR 32 CO 0.39 -0.14 -0.19 0.68 -0.54 0.00 0.00 174.62 174.82 1ygw s VAL 33 N -3.36 1.62 0.00 2.29 -7.23 0.12 -4.96 120.40 108.88 1ygw s VAL 33 Ca 0.33 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1ygw s VAL 33 Cb 0.07 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1ygw s VAL 33 CO 0.13 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 1ygw n GLY 34 N 3.40 -1.16 0.03 2.32 0.00 0.65 -3.49 105.19 106.95 1ygw n GLY 34 Ca -0.20 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 0.31 0.63 -2.70 1.61 2.88 -1.26 -4.90 113.62 110.20 1ygw n SER 35 Ca 0.00 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ygw n SER 35 Cb 0.00 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.88 0.00 -2.63 -3.46 3.02 -1.26 -5.02 115.26 104.04 1ygw n ASN 36 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 1ygw n ASN 36 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 3.42 -4.80 6.41 3.41 -1.26 -4.64 113.62 116.16 1ygw n SER 37 Ca 0.00 -3.36 -0.35 0.00 -0.26 0.00 0.00 58.87 54.91 1ygw n SER 37 Cb 0.00 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 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 -3.33 3.38 0.00 7.33 1.51 -1.26 -3.88 117.35 121.10 1ygw s TYR 38 Ca 0.41 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1ygw s TYR 38 Cb 0.40 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1ygw s TYR 38 CO -0.11 0.60 0.00 -0.35 -1.11 0.00 0.00 175.55 174.58 1ygw n PRO 39 N 1.58 -0.04 -3.59 -1.71 -0.04 -1.26 0.13 135.00 130.07 1ygw n PRO 39 Ca -0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1ygw n PRO 39 Cb 0.54 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.69 -0.03 0.81 0.54 -3.43 -1.08 -4.96 115.29 106.46 1ygw s HIS 40 Ca 0.00 -0.02 -0.14 0.00 -0.80 0.00 0.00 55.06 54.10 1ygw s HIS 40 Cb 0.00 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.69 1ygw s HIS 40 CO 0.00 -0.13 0.71 1.17 -2.00 0.00 0.00 174.74 174.50 1ygw n LYS 41 N -0.43 0.11 0.00 -0.38 3.00 -1.26 0.79 118.16 119.99 1ygw n LYS 41 Ca -0.08 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1ygw n LYS 41 Cb 0.63 -2.03 0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 -2.99 0.00 0.00 5.64 4.19 0.46 -4.41 117.16 120.05 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 0.51 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.34 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 -0.92 0.00 0.00 2.98 5.03 -0.75 -4.79 115.26 116.81 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 6.36 0.00 0.00 6.41 6.94 -1.26 -4.74 115.26 128.97 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 -1.30 0.00 0.25 -2.53 4.02 -1.26 -4.94 117.16 111.40 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 -1.31 0.71 3.74 -3.84 0.00 -1.26 -5.11 105.19 98.12 1ygw n GLY 47 Ca -0.01 -0.33 -0.35 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 -0.49 3.43 -1.27 1.61 0.08 -1.26 -5.00 117.98 115.08 1ygw s PHE 48 Ca 0.00 0.40 -0.06 0.00 0.12 0.00 0.00 56.93 57.39 1ygw s PHE 48 Cb 0.00 -2.19 0.16 0.00 -0.57 0.00 0.00 43.02 40.42 1ygw s PHE 48 CO 0.00 0.30 2.13 -0.25 -0.10 0.00 0.00 175.22 177.29 1ygw n ASP 49 N 3.47 7.02 -4.56 1.36 9.92 -1.26 -4.90 116.55 127.60 1ygw n ASP 49 Ca -0.15 -3.20 -0.29 0.00 -0.53 0.00 0.00 54.79 50.62 1ygw n ASP 49 Cb 0.52 -1.37 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 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 -1.11 1.62 -0.01 1.24 0.08 -1.26 -4.77 117.98 113.77 1ygw s PHE 50 Ca 0.47 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1ygw s PHE 50 Cb 0.15 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 1ygw s PHE 50 CO -0.05 -1.94 0.41 -1.13 -0.10 0.00 0.00 175.22 172.41 1ygw n SER 51 N 14.39 1.24 -4.31 1.36 3.41 -1.26 -4.64 113.62 123.80 1ygw n SER 51 Ca 0.35 -0.83 -0.19 0.00 -0.26 0.00 0.00 58.87 57.94 1ygw n SER 51 Cb 0.48 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.62 0.14 -3.33 -7.23 -1.26 -5.07 120.40 105.84 1ygw s VAL 52 Ca 0.00 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 1ygw s VAL 52 Cb 0.00 -1.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 1ygw s VAL 52 CO 0.00 -0.50 0.64 -0.44 -0.31 0.00 0.00 175.10 174.49 1ygw s SER 53 N -2.96 7.09 1.15 4.85 0.01 -1.26 -5.05 113.70 117.54 1ygw s SER 53 Ca 0.17 1.35 -0.15 0.00 1.31 0.00 0.00 55.95 58.63 1ygw s SER 53 Cb -0.03 -2.39 0.27 0.00 0.21 0.00 0.00 66.02 64.08 1ygw s SER 53 CO 0.05 0.18 1.05 -0.94 0.41 0.00 0.00 173.24 174.00 1ygw s SER 54 N -1.33 1.24 0.69 2.44 1.04 -1.26 -4.67 113.70 111.84 1ygw s SER 54 Ca 0.35 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1ygw s SER 54 Cb -0.19 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1ygw s SER 54 CO 0.21 -3.99 1.06 -2.16 0.98 0.00 0.00 173.24 169.34 1ygw s PRO 55 N -4.84 2.98 -0.32 4.02 0.04 -1.26 -4.79 135.00 130.83 1ygw s PRO 55 Ca 0.68 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1ygw s PRO 55 Cb -0.19 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1ygw s PRO 55 CO 0.60 -1.07 0.20 0.71 0.04 0.00 0.00 177.00 177.49 1ygw s TYR 56 N -3.00 3.21 -0.04 0.56 2.02 -1.24 -3.48 117.35 115.38 1ygw s TYR 56 Ca 0.58 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.94 1ygw s TYR 56 Cb -0.14 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1ygw s TYR 56 CO 0.54 -0.36 0.23 0.71 -1.57 0.00 0.00 175.55 175.10 1ygw s TYR 57 N 1.69 3.60 -0.05 2.71 2.02 6.81 0.18 117.35 134.31 1ygw s TYR 57 Ca 0.06 0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 57.32 1ygw s TYR 57 Cb -0.17 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1ygw s TYR 57 CO 0.09 0.66 0.03 -1.83 -1.57 0.00 0.00 175.55 172.93 1ygw s GLU 58 N -1.48 2.98 -0.12 -0.62 4.04 0.24 0.32 118.70 124.06 1ygw s GLU 58 Ca 0.23 -0.46 -0.23 0.00 0.04 0.00 0.00 54.97 54.55 1ygw s GLU 58 Cb -0.13 -2.80 0.06 0.00 0.02 0.00 0.00 34.13 31.27 1ygw s GLU 58 CO 0.12 0.68 0.57 -0.46 -1.84 0.00 0.00 175.26 174.33 1ygw s TRP 59 N -1.02 -0.56 0.19 4.83 -0.11 0.61 -2.62 118.94 120.26 1ygw s TRP 59 Ca 0.17 1.17 -0.30 0.00 1.22 0.00 0.00 56.10 58.36 1ygw s TRP 59 Cb -0.12 0.27 -0.08 0.00 -1.50 0.00 0.00 33.47 32.04 1ygw s TRP 59 CO 0.07 -0.43 1.12 -1.25 -4.62 0.00 0.00 176.95 171.83 1ygw s PRO 60 N -0.54 4.58 -0.30 5.86 0.04 -1.26 0.71 135.00 144.09 1ygw s PRO 60 Ca -0.07 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1ygw s PRO 60 Cb -0.03 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1ygw s PRO 60 CO 0.05 0.07 0.06 -1.50 0.04 0.00 0.00 177.00 175.72 1ygw s ILE 61 N -0.33 3.76 -0.16 0.56 2.07 -0.18 -4.57 121.20 122.35 1ygw s ILE 61 Ca 0.49 -0.84 -0.24 0.00 -1.41 0.00 0.00 60.65 58.65 1ygw s ILE 61 Cb -0.30 -2.98 -0.02 0.00 0.13 0.00 0.00 42.46 39.29 1ygw s ILE 61 CO 0.36 0.04 0.76 -0.76 -1.91 0.00 0.00 174.94 173.43 1ygw s LEU 62 N 1.45 4.19 0.60 8.50 1.43 -1.26 -4.52 118.68 129.07 1ygw s LEU 62 Ca 0.01 1.09 0.32 0.00 -1.03 0.00 0.00 54.13 54.52 1ygw s LEU 62 Cb -0.18 -3.13 1.72 0.00 0.03 0.00 0.00 46.19 44.64 1ygw s LEU 62 CO 0.02 -0.32 1.96 0.77 0.23 0.00 0.00 176.35 179.00 1ygw h SER 63 N 7.28 0.00 1.55 2.29 4.64 -1.94 1.05 113.55 128.42 1ygw h SER 63 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ygw h SER 63 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ygw h SER 63 CO 0.81 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 177.05 1ygw h SER 64 N 0.00 0.00 -0.78 4.97 0.02 -1.99 -3.47 113.55 112.30 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 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 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 0.93 0.84 2.49 -3.77 0.00 0.36 -5.07 105.19 100.97 1ygw n GLY 65 Ca 0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 1.59 2.34 -4.23 1.61 9.92 -1.25 -4.94 116.55 121.58 1ygw n ASP 66 Ca 0.00 -2.30 -0.41 0.00 -0.53 0.00 0.00 54.79 51.54 1ygw n ASP 66 Cb 0.49 0.03 -0.08 0.00 -0.64 0.00 0.00 41.12 40.92 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 -1.89 4.32 0.51 2.53 1.01 -1.26 -4.38 120.40 121.23 1ygw s VAL 67 Ca 0.16 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.23 1ygw s VAL 67 Cb -0.01 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1ygw s VAL 67 CO 0.10 -0.76 0.29 0.00 0.00 0.00 0.00 175.10 174.73 1ygw n TYR 68 N 4.94 -1.46 -0.65 5.22 9.36 -1.26 -4.86 117.16 128.45 1ygw n TYR 68 Ca -0.09 0.49 0.07 0.00 3.32 0.00 0.00 57.90 61.69 1ygw n TYR 68 Cb 0.41 -1.86 0.36 0.00 -0.63 0.00 0.00 39.34 37.62 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 1.41 5.10 -0.70 2.98 3.41 -1.26 -4.86 113.62 119.71 1ygw n SER 69 Ca 0.10 -2.72 0.05 0.00 -0.26 0.00 0.00 58.87 56.04 1ygw n SER 69 Cb 0.45 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.74 -3.15 0.00 5.00 0.00 -1.23 0.24 105.19 106.78 1ygw n GLY 70 Ca 0.25 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.65 0.60 2.52 -0.02 0.00 -1.26 -4.44 105.19 99.93 1ygw n GLY 71 Ca -0.03 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1ygw n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 72 N 0.00 3.75 0.00 1.61 7.64 -1.26 -4.85 113.62 120.51 1ygw n SER 72 Ca 0.00 -3.47 0.05 0.00 1.01 0.00 0.00 58.87 56.46 1ygw n SER 72 Cb 0.00 -0.65 0.27 0.00 -1.01 0.00 0.00 64.21 62.83 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ygw n PRO 73 N 0.63 0.75 -0.92 1.43 -0.04 -1.26 -4.88 135.00 130.70 1ygw n PRO 73 Ca 0.30 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 1ygw n PRO 73 Cb 0.41 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.34 -0.05 0.00 0.55 0.00 -1.26 -2.61 105.19 102.16 1ygw n GLY 74 Ca 0.07 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 4.61 0.00 -3.92 4.61 0.00 -1.26 -4.74 120.51 119.81 1ygw n ALA 75 Ca 0.34 0.00 -0.29 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 2.50 -0.04 0.00 1.01 -1.07 -1.52 116.67 117.54 1ygw s ASP 76 Ca 0.00 -0.43 -0.08 0.00 0.71 0.00 0.00 52.55 52.75 1ygw s ASP 76 Cb 0.00 -1.07 0.01 0.00 1.01 0.00 0.00 42.92 42.87 1ygw s ASP 76 CO 0.00 -0.06 0.19 -0.13 0.21 0.00 0.00 175.17 175.38 1ygw s ARG 77 N 1.44 0.38 -0.07 8.23 1.81 -0.54 -1.01 118.95 129.19 1ygw s ARG 77 Ca 0.03 -0.03 0.02 0.00 -1.72 0.00 0.00 55.73 54.03 1ygw s ARG 77 Cb -0.13 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.51 1ygw s ARG 77 CO -0.08 -0.08 -0.13 0.54 -0.68 0.00 0.00 175.30 174.87 1ygw s VAL 78 N -0.63 3.17 -0.09 3.52 0.11 3.43 -1.13 120.40 128.79 1ygw s VAL 78 Ca -0.07 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 1ygw s VAL 78 Cb -0.04 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 1ygw s VAL 78 CO 0.01 0.58 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.52 1ygw s VAL 79 N -0.56 2.92 0.00 2.04 1.01 -1.25 0.22 120.40 124.79 1ygw s VAL 79 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1ygw s VAL 79 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1ygw s VAL 79 CO 0.01 0.56 0.00 2.22 0.00 0.00 0.00 175.10 177.89 1ygw n PHE 80 N 3.00 -0.26 -4.11 5.22 -1.74 0.96 0.89 117.46 121.41 1ygw n PHE 80 Ca -0.18 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.66 1ygw n PHE 80 Cb 0.52 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.51 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 -1.63 0.91 -0.75 5.98 3.02 -0.36 1.01 115.26 123.44 1ygw n ASN 81 Ca 0.00 -1.49 0.04 0.00 -0.03 0.00 0.00 54.58 53.10 1ygw n ASN 81 Cb 0.00 0.24 0.15 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.20 2.04 -0.03 3.52 2.13 -1.25 -3.32 120.64 123.52 1ygw n GLU 82 Ca -0.01 -1.17 0.04 0.00 0.66 0.00 0.00 57.16 56.68 1ygw n GLU 82 Cb 0.14 -1.45 -0.14 0.00 0.27 0.00 0.00 31.44 30.26 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 0.35 0.95 0.00 4.31 6.94 -1.26 -4.98 115.26 121.56 1ygw n ASN 83 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1ygw n ASN 83 Cb 0.40 1.55 0.00 0.00 -2.36 0.00 0.00 39.78 39.36 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 -2.26 0.00 -4.52 0.53 2.04 -1.21 -5.10 115.26 104.74 1ygw n ASN 84 Ca -0.10 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.70 1ygw n ASN 84 Cb 0.63 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.76 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 -0.53 3.32 -0.02 -3.83 -0.21 -1.26 -4.95 119.66 112.18 1ygw s GLN 85 Ca 0.00 -0.54 -0.25 0.00 0.02 0.00 0.00 55.36 54.59 1ygw s GLN 85 Cb 0.00 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 1ygw s GLN 85 CO 0.00 0.39 0.75 -0.48 -2.12 0.00 0.00 175.29 173.83 1ygw s LEU 86 N -0.07 4.37 0.13 2.90 0.05 -1.26 -1.22 118.68 123.58 1ygw s LEU 86 Ca 0.01 1.33 -0.10 0.00 0.05 0.00 0.00 54.13 55.41 1ygw s LEU 86 Cb -0.13 -3.18 -0.07 0.00 -2.05 0.00 0.00 46.19 40.75 1ygw s LEU 86 CO 0.03 -0.08 1.39 0.00 -0.55 0.00 0.00 176.35 177.14 1ygw h ALA 87 N 6.36 0.46 0.00 1.48 0.00 3.89 -3.43 119.26 128.02 1ygw h ALA 87 Ca -0.42 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1ygw h ALA 87 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ygw h ALA 87 CO 0.74 0.69 0.00 0.41 0.00 0.00 0.00 179.25 181.08 1ygw n GLY 88 N 0.45 -0.65 2.60 0.00 0.00 -1.14 -4.23 105.19 102.22 1ygw n GLY 88 Ca -0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.10 0.61 1.61 1.01 -1.26 -3.80 120.40 114.47 1ygw s VAL 89 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1ygw s VAL 89 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1ygw s VAL 89 CO 0.00 -0.77 0.94 0.27 0.00 0.00 0.00 175.10 175.54 1ygw s ILE 90 N 1.43 3.79 -0.02 2.22 -4.36 -0.28 0.61 121.20 124.60 1ygw s ILE 90 Ca 0.16 0.18 -0.27 0.00 -0.26 0.00 0.00 60.65 60.46 1ygw s ILE 90 Cb -0.19 -3.52 0.06 0.00 1.25 0.00 0.00 42.46 40.06 1ygw s ILE 90 CO -0.08 -0.58 0.60 0.28 0.24 0.00 0.00 174.94 175.40 1ygw s THR 91 N -3.06 0.01 -1.04 8.37 -1.32 0.19 -1.47 115.64 117.32 1ygw s THR 91 Ca 0.54 -0.10 0.25 0.00 -1.21 0.00 0.00 61.69 61.17 1ygw s THR 91 Cb -0.11 -0.94 0.23 0.00 -1.51 0.00 0.00 72.50 70.17 1ygw s THR 91 CO 0.47 -0.06 1.81 1.41 -2.21 0.00 0.00 174.62 176.04 1ygw n HIS 92 N 0.80 0.00 -0.62 9.09 8.25 -0.58 -2.81 115.22 129.35 1ygw n HIS 92 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1ygw n HIS 92 Cb 0.58 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.48 0.00 0.00 1.59 -1.04 -1.26 -3.04 114.28 109.05 1ygw n THR 93 Ca 0.07 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1ygw n THR 93 Cb 0.28 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 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 2.47 0.39 2.35 3.41 0.00 -1.26 -4.53 105.19 108.02 1ygw n GLY 94 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 -0.86 4.61 0.00 -1.17 0.37 120.51 123.45 1ygw n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ygw n ALA 95 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.46 -2.58 0.00 0.00 2.88 -1.26 -4.63 113.62 109.49 1ygw n SER 96 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ygw n SER 96 Cb 0.11 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 -2.86 -0.56 0.49 0.46 0.00 1.15 -4.90 105.19 98.97 1ygw n GLY 97 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 1.75 -2.96 1.61 4.05 -1.26 -4.60 115.26 113.85 1ygw n ASN 98 Ca 0.00 -1.39 0.00 0.00 0.45 0.00 0.00 54.58 53.64 1ygw n ASN 98 Cb 0.00 0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.18 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 0.06 -1.59 -4.38 1.20 0.23 -1.26 -4.98 115.26 104.53 1ygw n ASN 99 Ca 0.13 -0.11 -0.19 0.00 -0.53 0.00 0.00 54.58 53.88 1ygw n ASN 99 Cb 0.43 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.91 1.75 -0.28 -2.53 0.08 -1.26 -4.57 117.98 110.26 1ygw s PHE 100 Ca 0.00 -0.87 -0.20 0.00 0.12 0.00 0.00 56.93 55.97 1ygw s PHE 100 Cb 0.00 -1.04 0.10 0.00 -0.57 0.00 0.00 43.02 41.51 1ygw s PHE 100 CO 0.00 0.05 0.85 0.14 -0.10 0.00 0.00 175.22 176.16 1ygw s VAL 101 N -3.29 0.00 0.01 -0.44 -7.23 -1.13 -4.89 120.40 103.44 1ygw s VAL 101 Ca 0.31 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.13 1ygw s VAL 101 Cb 0.06 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.87 1ygw s VAL 101 CO 0.11 0.00 1.71 -1.84 -0.31 0.00 0.00 175.10 174.77 1ygw n GLU 102 N 3.32 2.02 -0.05 4.82 0.28 -1.25 -0.63 120.64 129.15 1ygw n GLU 102 Ca -0.17 0.74 -0.02 0.00 -0.16 0.00 0.00 57.16 57.54 1ygw n GLU 102 Cb 0.57 -2.52 0.02 0.00 1.43 0.00 0.00 31.44 30.94 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97