#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 3.84 0.00 -3.14 0.00 5.19 -1.90 -3.23 116.42 117.19 1ygw h ASP 3 Ca 0.43 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.35 1ygw h ASP 3 Cb 0.37 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.47 1ygw h ASP 3 CO 1.09 0.00 -0.76 -0.31 -3.12 0.00 0.00 179.24 176.14 1ygw s TYR 4 N -4.78 0.56 -0.34 4.55 2.02 -1.26 -4.84 117.35 113.27 1ygw s TYR 4 Ca -0.04 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.10 1ygw s TYR 4 Cb 0.24 -0.85 0.09 0.00 -0.40 0.00 0.00 41.96 41.04 1ygw s TYR 4 CO 0.80 -0.57 0.05 0.99 -1.57 0.00 0.00 175.55 175.24 1ygw s THR 5 N 2.01 2.49 -1.43 -0.71 2.01 -1.22 -0.58 115.64 118.21 1ygw s THR 5 Ca 0.01 -2.10 -0.13 0.00 0.31 0.00 0.00 61.69 59.78 1ygw s THR 5 Cb -0.16 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1ygw s THR 5 CO -0.10 -0.48 2.44 0.00 -0.69 0.00 0.00 174.62 175.79 1ygw n GLY 7 N 3.95 2.03 2.69 0.00 0.00 -1.26 -4.24 105.19 108.36 1ygw n GLY 7 Ca 0.60 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.66 -1.35 1.61 3.41 -1.26 -5.08 113.62 111.76 1ygw n SER 8 Ca 0.00 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 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 -0.73 1.86 -2.69 4.04 3.02 -1.26 -5.10 115.26 114.40 1ygw n ASN 9 Ca -0.05 -0.70 -0.04 0.00 -0.03 0.00 0.00 54.58 53.76 1ygw n ASN 9 Cb 0.85 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.07 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 2.25 1.64 -0.33 0.00 4.01 0.25 -4.88 117.16 120.09 1ygw n TYR 11 Ca 0.10 -1.97 -0.10 0.00 -0.16 0.00 0.00 57.90 55.76 1ygw n TYR 11 Cb 0.65 -1.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.36 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 0.75 -0.96 -0.13 7.72 3.41 -1.24 -2.57 113.62 120.59 1ygw n SER 12 Ca 0.47 0.18 0.22 0.00 -0.26 0.00 0.00 58.87 59.48 1ygw n SER 12 Cb 0.55 -0.23 0.34 0.00 -0.26 0.00 0.00 64.21 64.62 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ygw n SER 13 N 0.66 0.00 0.12 4.04 3.41 -1.26 0.66 113.62 121.25 1ygw n SER 13 Ca 0.02 0.67 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 1ygw n SER 13 Cb 0.12 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.20 4.04 0.87 -1.96 -2.53 113.55 115.17 1ygw h SER 14 Ca 0.39 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.80 1ygw h SER 14 Cb 2.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.54 1ygw h SER 14 CO -0.00 0.47 -0.83 0.44 -0.53 0.00 0.00 176.83 176.38 1ygw h ASP 15 N 0.00 0.00 0.01 6.23 5.19 2.06 -3.15 116.42 126.76 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 1.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1ygw h ASP 15 CO 0.06 0.68 -0.00 0.58 -3.12 0.00 0.00 179.24 177.43 1ygw h VAL 16 N 0.00 0.00 -0.83 -1.35 2.07 -0.95 -2.97 116.25 112.22 1ygw h VAL 16 Ca -0.04 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1ygw h VAL 16 Cb 1.55 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.18 1ygw h VAL 16 CO 0.08 0.00 -0.26 -0.24 0.02 0.00 0.00 177.57 177.17 1ygw n SER 17 N -2.15 -0.41 -0.15 0.57 2.88 -0.96 0.19 113.62 113.59 1ygw n SER 17 Ca -0.00 1.43 -0.03 0.00 -1.33 0.00 0.00 58.87 58.95 1ygw n SER 17 Cb 0.00 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.13 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 0.62 -0.55 2.46 2.02 -1.68 0.79 112.91 116.56 1ygw h THR 18 Ca 0.35 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 1ygw h THR 18 Cb 0.55 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1ygw h THR 18 CO -0.84 0.02 0.22 0.00 0.37 0.00 0.00 175.52 175.29 1ygw h ALA 19 N 1.43 0.71 0.64 6.16 0.00 0.23 -3.06 119.26 125.37 1ygw h ALA 19 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ygw h ALA 19 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ygw h ALA 19 CO -0.41 0.33 -0.33 1.96 0.00 0.00 0.00 179.25 180.80 1ygw h GLN 20 N 0.74 -0.86 -0.83 0.00 4.20 0.16 -2.11 115.11 116.42 1ygw h GLN 20 Ca 0.18 0.06 0.35 0.00 0.06 0.00 0.00 58.65 59.30 1ygw h GLN 20 Cb 0.20 0.20 -0.15 0.00 0.30 0.00 0.00 27.48 28.03 1ygw h GLN 20 CO -0.01 -0.57 0.45 0.00 -0.67 0.00 0.00 178.83 178.03 1ygw n ALA 21 N -2.51 0.86 0.26 3.87 0.00 0.26 0.18 120.51 123.42 1ygw n ALA 21 Ca -0.13 0.84 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 1ygw n ALA 21 Cb 0.37 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 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 1.65 -0.67 -0.82 0.00 0.00 -1.31 0.24 119.26 118.34 1ygw h ALA 22 Ca 0.70 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.52 1ygw h ALA 22 Cb 1.87 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 1ygw h ALA 22 CO -0.63 -0.73 0.45 0.78 0.00 0.00 0.00 179.25 179.12 1ygw h GLY 23 N -0.98 1.27 0.43 0.00 0.00 0.22 -1.07 103.07 102.94 1ygw h GLY 23 Ca -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1ygw h GLY 23 CO 0.11 0.09 -0.21 -1.82 0.00 0.00 0.00 176.54 174.72 1ygw h TYR 24 N 0.74 -0.53 -0.98 5.60 3.20 0.47 0.30 116.97 125.76 1ygw h TYR 24 Ca 0.40 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.35 1ygw h TYR 24 Cb 0.41 0.18 -0.12 0.00 1.54 0.00 0.00 36.73 38.74 1ygw h TYR 24 CO -0.07 -0.33 -0.57 1.17 -1.64 0.00 0.00 178.16 176.71 1ygw n LYS 25 N -3.99 -0.43 0.01 1.82 3.00 0.84 0.29 118.16 119.70 1ygw n LYS 25 Ca -0.07 1.49 0.05 0.00 -0.00 0.00 0.00 58.31 59.78 1ygw n LYS 25 Cb 0.23 -2.19 0.45 0.00 0.00 0.00 0.00 35.03 33.52 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 0.43 0.05 3.14 5.85 -1.26 -0.51 115.31 123.01 1ygw h LEU 26 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ygw h LEU 26 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ygw h LEU 26 CO -0.93 0.31 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.72 1ygw h HIS 27 N 0.50 -0.06 -0.07 1.25 2.76 0.71 0.62 115.15 120.87 1ygw h HIS 27 Ca 0.15 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1ygw h HIS 27 Cb -0.01 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ygw h HIS 27 CO -0.00 0.31 0.08 1.05 -1.30 0.00 0.00 177.93 178.06 1ygw h GLU 28 N -0.43 0.00 0.00 5.26 4.11 0.50 0.33 114.58 124.34 1ygw h GLU 28 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ygw h GLU 28 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ygw h GLU 28 CO 0.01 0.00 -0.94 -0.44 0.07 0.00 0.00 179.01 177.71 1ygw h ASP 29 N 0.00 0.00 -0.26 3.06 5.19 -0.79 -3.48 116.42 120.15 1ygw h ASP 29 Ca 0.03 -0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 1ygw h ASP 29 Cb 0.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1ygw h ASP 29 CO -0.00 0.03 -0.06 0.61 -3.12 0.00 0.00 179.24 176.69 1ygw n GLY 30 N 1.21 0.46 4.01 2.75 0.00 0.13 -5.04 105.19 108.71 1ygw n GLY 30 Ca 0.01 -0.87 -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 -3.03 2.30 0.43 1.61 0.41 0.17 -4.99 118.70 115.61 1ygw s GLU 31 Ca 0.00 -1.35 0.03 0.00 -0.41 0.00 0.00 54.97 53.24 1ygw s GLU 31 Cb 0.00 -2.58 -0.02 0.00 -1.78 0.00 0.00 34.13 29.74 1ygw s GLU 31 CO 0.00 -0.85 0.09 0.95 -0.49 0.00 0.00 175.26 174.96 1ygw s THR 32 N -2.72 0.80 -0.01 3.63 -4.23 -1.26 -4.42 115.64 107.43 1ygw s THR 32 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1ygw s THR 32 Cb -0.07 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.46 1ygw s THR 32 CO 0.39 0.00 0.01 0.68 -0.54 0.00 0.00 174.62 175.16 1ygw s VAL 33 N -3.11 0.01 0.00 2.29 -7.23 -0.30 -4.96 120.40 107.11 1ygw s VAL 33 Ca 0.20 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1ygw s VAL 33 Cb 0.03 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.88 1ygw s VAL 33 CO 0.12 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1ygw n GLY 34 N 3.65 -0.45 0.27 2.32 0.00 -1.25 -3.81 105.19 105.92 1ygw n GLY 34 Ca -0.20 -1.11 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 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 35 N 0.67 1.37 -1.67 1.61 3.41 0.20 -4.82 113.62 114.39 1ygw n SER 35 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1ygw n SER 35 Cb 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 36 N -0.66 0.00 -2.40 4.04 3.02 -1.25 -5.03 115.26 112.97 1ygw n ASN 36 Ca 0.09 -0.34 -0.22 0.00 -0.03 0.00 0.00 54.58 54.08 1ygw n ASN 36 Cb 0.39 0.00 0.01 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 -1.02 4.10 -4.88 6.41 3.41 -1.26 -4.50 113.62 115.88 1ygw n SER 37 Ca 0.00 -3.47 -0.33 0.00 -0.26 0.00 0.00 58.87 54.81 1ygw n SER 37 Cb 0.00 -0.44 -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 -3.52 3.52 0.00 7.33 1.51 -1.26 -4.10 117.35 120.84 1ygw s TYR 38 Ca 0.44 0.65 0.00 0.00 -1.01 0.00 0.00 57.07 57.15 1ygw s TYR 38 Cb 0.41 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1ygw s TYR 38 CO -0.08 0.48 0.00 -0.35 -1.11 0.00 0.00 175.55 174.49 1ygw n PRO 39 N 0.51 -0.23 0.00 -1.71 -0.04 -1.26 -1.14 135.00 131.12 1ygw n PRO 39 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 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 -1.89 0.00 -1.36 0.54 1.44 -1.15 -4.97 115.22 107.83 1ygw n HIS 40 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 1ygw n HIS 40 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 1ygw n HIS 40 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1ygw n LYS 41 N -0.00 0.41 0.00 -1.40 4.81 -1.26 -0.30 118.16 120.41 1ygw n LYS 41 Ca 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1ygw n LYS 41 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 -2.10 0.00 0.00 5.64 4.19 0.42 -4.52 117.16 120.79 1ygw n TYR 42 Ca 0.11 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.32 1ygw n TYR 42 Cb 0.49 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.32 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 -0.73 0.00 0.00 2.98 3.02 -0.83 -4.75 115.26 114.95 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ygw n ASN 44 N 4.78 0.00 0.00 6.41 6.94 -1.26 -4.74 115.26 127.39 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 -1.35 -0.06 0.30 -2.53 4.02 -1.26 -4.93 117.16 111.36 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 0.01 0.33 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.98 -3.41 114.58 113.55 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 -1.36 0.68 3.82 -3.84 0.00 -1.26 -5.10 105.19 98.12 1ygw n GLY 47 Ca -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.45 3.55 -1.13 1.61 0.08 -1.26 -4.97 117.98 115.41 1ygw s PHE 48 Ca 0.00 0.55 -0.05 0.00 0.12 0.00 0.00 56.93 57.55 1ygw s PHE 48 Cb 0.00 -2.09 0.27 0.00 -0.57 0.00 0.00 43.02 40.62 1ygw s PHE 48 CO 0.00 0.55 1.69 -0.25 -0.10 0.00 0.00 175.22 177.11 1ygw n ASP 49 N 2.55 6.38 -4.55 1.36 9.92 -1.26 -4.91 116.55 126.04 1ygw n ASP 49 Ca -0.17 -3.37 -0.38 0.00 -0.53 0.00 0.00 54.79 50.34 1ygw n ASP 49 Cb 0.54 -1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 39.67 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 -2.22 1.93 -0.01 1.24 0.08 -1.26 -4.81 117.98 112.92 1ygw s PHE 50 Ca 0.36 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1ygw s PHE 50 Cb 0.09 -4.29 0.00 0.00 -0.57 0.00 0.00 43.02 38.25 1ygw s PHE 50 CO 0.04 -2.14 0.65 -1.13 -0.10 0.00 0.00 175.22 172.54 1ygw n SER 51 N 11.65 1.95 -4.33 1.36 3.41 -1.26 -4.70 113.62 121.70 1ygw n SER 51 Ca 0.19 -1.31 -0.18 0.00 -0.26 0.00 0.00 58.87 57.31 1ygw n SER 51 Cb 0.50 -0.33 -0.10 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 0.32 1.66 0.18 -3.33 -7.23 -1.26 -5.08 120.40 105.67 1ygw s VAL 52 Ca 0.00 -2.16 -0.18 0.00 -1.81 0.00 0.00 61.98 57.83 1ygw s VAL 52 Cb 0.00 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 1ygw s VAL 52 CO 0.00 -0.59 0.65 -0.55 -0.31 0.00 0.00 175.10 174.30 1ygw s SER 53 N -3.23 6.99 1.08 4.85 0.15 -1.26 -5.05 113.70 117.23 1ygw s SER 53 Ca 0.21 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.01 1ygw s SER 53 Cb -0.01 -2.37 0.23 0.00 -1.71 0.00 0.00 66.02 62.16 1ygw s SER 53 CO 0.06 0.08 1.09 -0.94 1.20 0.00 0.00 173.24 174.73 1ygw s SER 54 N -1.61 1.90 0.68 5.45 1.04 -1.26 -4.66 113.70 115.23 1ygw s SER 54 Ca 0.40 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.76 1ygw s SER 54 Cb -0.17 -1.62 -0.00 0.00 0.10 0.00 0.00 66.02 64.33 1ygw s SER 54 CO 0.20 -3.57 1.06 -2.16 0.98 0.00 0.00 173.24 169.75 1ygw s PRO 55 N -5.03 3.02 -0.32 4.02 0.04 -1.26 -4.79 135.00 130.68 1ygw s PRO 55 Ca 0.67 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1ygw s PRO 55 Cb -0.17 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1ygw s PRO 55 CO 0.58 -1.04 0.21 0.71 0.04 0.00 0.00 177.00 177.51 1ygw s TYR 56 N -2.96 3.22 -0.12 0.56 2.02 -1.24 -3.58 117.35 115.25 1ygw s TYR 56 Ca 0.59 -0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 56.99 1ygw s TYR 56 Cb -0.14 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1ygw s TYR 56 CO 0.52 -0.33 0.19 0.71 -1.57 0.00 0.00 175.55 175.07 1ygw s TYR 57 N 1.71 3.58 -0.14 2.71 2.02 5.21 0.16 117.35 132.59 1ygw s TYR 57 Ca 0.06 0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 57.27 1ygw s TYR 57 Cb -0.17 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1ygw s TYR 57 CO 0.10 0.61 0.08 -1.83 -1.57 0.00 0.00 175.55 172.94 1ygw s GLU 58 N -0.67 3.59 -0.03 -0.62 4.04 0.58 0.33 118.70 125.92 1ygw s GLU 58 Ca 0.15 -0.27 -0.13 0.00 0.04 0.00 0.00 54.97 54.76 1ygw s GLU 58 Cb -0.13 -3.14 0.02 0.00 0.02 0.00 0.00 34.13 30.91 1ygw s GLU 58 CO 0.04 0.55 0.30 -0.46 -1.84 0.00 0.00 175.26 173.85 1ygw s TRP 59 N -0.40 -0.19 0.62 4.83 -0.11 0.57 -2.95 118.94 121.31 1ygw s TRP 59 Ca 0.10 0.34 -0.14 0.00 1.22 0.00 0.00 56.10 57.62 1ygw s TRP 59 Cb -0.12 0.09 -0.02 0.00 -1.50 0.00 0.00 33.47 31.92 1ygw s TRP 59 CO 0.02 -0.34 1.05 -1.25 -4.62 0.00 0.00 176.95 171.81 1ygw s PRO 60 N -1.05 3.24 -0.10 5.86 0.04 -1.26 0.62 135.00 142.35 1ygw s PRO 60 Ca -0.11 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.07 1ygw s PRO 60 Cb -0.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ygw s PRO 60 CO 0.03 -0.86 -0.24 -1.50 0.04 0.00 0.00 177.00 174.47 1ygw s ILE 61 N -2.67 2.05 -0.23 0.56 2.07 -1.01 -4.47 121.20 117.50 1ygw s ILE 61 Ca 0.61 -1.01 -0.15 0.00 -1.41 0.00 0.00 60.65 58.69 1ygw s ILE 61 Cb -0.15 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 40.63 1ygw s ILE 61 CO 0.43 0.56 0.36 -0.76 -1.91 0.00 0.00 174.94 173.61 1ygw s LEU 62 N 0.35 4.10 0.00 8.50 1.43 -1.26 -4.81 118.68 126.99 1ygw s LEU 62 Ca -0.19 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1ygw s LEU 62 Cb -0.18 -2.43 0.44 0.00 0.03 0.00 0.00 46.19 44.06 1ygw s LEU 62 CO 0.09 -0.10 0.91 -1.20 0.23 0.00 0.00 176.35 176.28 1ygw n SER 63 N 4.78 0.00 -0.13 2.29 7.64 -1.26 0.03 113.62 126.97 1ygw n SER 63 Ca -0.09 -0.22 0.09 0.00 1.01 0.00 0.00 58.87 59.66 1ygw n SER 63 Cb 0.51 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ygw n SER 64 N -1.01 1.15 -1.18 6.43 7.64 -1.26 -4.98 113.62 120.41 1ygw n SER 64 Ca 0.06 -1.07 -0.05 0.00 1.01 0.00 0.00 58.87 58.81 1ygw n SER 64 Cb 0.03 0.84 0.02 0.00 -1.01 0.00 0.00 64.21 64.08 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 1.38 0.62 0.00 0.23 0.00 0.10 -5.06 105.19 102.47 1ygw n GLY 65 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.42 1.86 -4.43 1.61 9.92 -1.26 -4.97 116.55 119.70 1ygw n ASP 66 Ca -0.00 -0.66 -0.35 0.00 -0.53 0.00 0.00 54.79 53.25 1ygw n ASP 66 Cb 0.51 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.87 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 -0.41 3.95 0.22 2.53 1.01 -1.26 -4.36 120.40 122.08 1ygw s VAL 67 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1ygw s VAL 67 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1ygw s VAL 67 CO 0.00 0.41 1.13 -0.31 0.00 0.00 0.00 175.10 176.33 1ygw s TYR 68 N 1.16 3.53 -0.46 5.22 2.02 -1.26 -4.97 117.35 122.60 1ygw s TYR 68 Ca 0.03 1.58 0.07 0.00 -0.37 0.00 0.00 57.07 58.38 1ygw s TYR 68 Cb -0.14 -3.33 0.29 0.00 -0.40 0.00 0.00 41.96 38.38 1ygw s TYR 68 CO 0.01 -0.78 0.96 -1.13 -1.57 0.00 0.00 175.55 173.04 1ygw n SER 69 N 1.92 -2.02 0.12 2.29 3.41 -1.26 -4.74 113.62 113.35 1ygw n SER 69 Ca 0.02 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1ygw n SER 69 Cb 0.45 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 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 0.83 -0.27 0.00 5.00 0.00 -1.26 -3.85 105.19 105.64 1ygw n GLY 70 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.65 1.53 2.86 -0.02 0.00 -1.26 0.58 105.19 110.53 1ygw n GLY 71 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.39 -2.05 1.61 2.88 -1.26 -4.81 113.62 114.38 1ygw n SER 72 Ca 0.00 -3.65 -0.08 0.00 -1.33 0.00 0.00 58.87 53.81 1ygw n SER 72 Cb 0.00 -0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 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 -0.09 1.39 0.00 -1.46 -0.04 -1.26 -4.89 135.00 128.65 1ygw n PRO 73 Ca 0.31 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1ygw n PRO 73 Cb 0.39 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.48 1.54 0.00 0.55 0.00 -1.26 -3.65 105.19 104.85 1ygw n GLY 74 Ca 0.27 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 10.23 1.05 -1.81 4.61 0.00 -1.26 -4.96 120.51 128.37 1ygw n ALA 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ygw n ALA 75 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ygw s ASP 76 N -1.19 6.49 -0.06 0.00 1.01 -1.24 -3.89 116.67 117.79 1ygw s ASP 76 Ca 0.00 2.68 -0.12 0.00 0.71 0.00 0.00 52.55 55.82 1ygw s ASP 76 Cb 0.00 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1ygw s ASP 76 CO 0.00 -0.94 0.29 -0.13 0.21 0.00 0.00 175.17 174.60 1ygw s ARG 77 N 2.17 0.50 -0.11 8.23 1.81 0.42 -2.39 118.95 129.58 1ygw s ARG 77 Ca 0.76 0.08 -0.04 0.00 -1.72 0.00 0.00 55.73 54.82 1ygw s ARG 77 Cb -0.45 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 1ygw s ARG 77 CO 0.34 -0.11 0.04 0.14 -0.68 0.00 0.00 175.30 175.03 1ygw s VAL 78 N -0.62 4.66 -0.08 3.52 -7.23 2.70 0.37 120.40 123.72 1ygw s VAL 78 Ca -0.07 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1ygw s VAL 78 Cb -0.04 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1ygw s VAL 78 CO 0.02 0.58 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.60 1ygw s VAL 79 N -0.69 3.35 0.00 1.32 1.01 -1.22 0.21 120.40 124.39 1ygw s VAL 79 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ygw s VAL 79 Cb -0.12 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1ygw s VAL 79 CO 0.02 0.58 0.00 2.22 0.00 0.00 0.00 175.10 177.92 1ygw n PHE 80 N 2.55 -0.16 -4.11 5.22 -1.74 1.00 0.88 117.46 121.10 1ygw n PHE 80 Ca -0.18 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.65 1ygw n PHE 80 Cb 0.53 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.50 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 -0.87 0.51 -0.74 5.98 3.02 -0.32 0.88 115.26 123.73 1ygw n ASN 81 Ca 0.00 -1.61 0.03 0.00 -0.03 0.00 0.00 54.58 52.98 1ygw n ASN 81 Cb 0.00 0.36 0.13 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.22 2.01 -0.03 3.52 4.07 -1.25 -3.26 120.64 125.47 1ygw n GLU 82 Ca -0.00 -1.06 0.02 0.00 -0.06 0.00 0.00 57.16 56.06 1ygw n GLU 82 Cb 0.17 -1.48 -0.12 0.00 -0.06 0.00 0.00 31.44 29.95 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1ygw n ASN 83 N 0.26 1.46 0.00 4.31 6.94 -1.26 -4.99 115.26 121.99 1ygw n ASN 83 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1ygw n ASN 83 Cb 0.40 1.37 0.00 0.00 -2.36 0.00 0.00 39.78 39.19 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 -2.23 0.00 -4.64 0.53 2.04 -1.20 -5.10 115.26 104.65 1ygw n ASN 84 Ca -0.11 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.68 1ygw n ASN 84 Cb 0.63 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.78 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 -0.29 3.48 -0.07 -3.83 -0.21 -1.26 -4.94 119.66 112.53 1ygw s GLN 85 Ca 0.00 -0.39 -0.22 0.00 0.02 0.00 0.00 55.36 54.76 1ygw s GLN 85 Cb 0.00 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 1ygw s GLN 85 CO 0.00 0.47 0.65 -0.48 -2.12 0.00 0.00 175.29 173.81 1ygw s LEU 86 N -0.23 4.32 0.15 2.90 0.05 -1.26 -1.17 118.68 123.45 1ygw s LEU 86 Ca 0.06 1.13 -0.03 0.00 0.05 0.00 0.00 54.13 55.34 1ygw s LEU 86 Cb -0.12 -3.00 -0.02 0.00 -2.05 0.00 0.00 46.19 41.00 1ygw s LEU 86 CO 0.02 -0.07 1.37 0.00 -0.55 0.00 0.00 176.35 177.12 1ygw h ALA 87 N 6.61 0.48 0.00 1.48 0.00 3.88 -3.44 119.26 128.27 1ygw h ALA 87 Ca -0.41 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1ygw h ALA 87 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ygw h ALA 87 CO 0.75 0.80 0.00 0.41 0.00 0.00 0.00 179.25 181.21 1ygw n GLY 88 N 0.76 -0.45 2.77 0.00 0.00 -1.10 -4.37 105.19 102.80 1ygw n GLY 88 Ca -0.05 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.70 -0.41 0.59 1.61 1.01 -1.26 -3.39 120.40 114.85 1ygw s VAL 89 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1ygw s VAL 89 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1ygw s VAL 89 CO 0.00 -0.47 0.93 0.27 0.00 0.00 0.00 175.10 175.83 1ygw s ILE 90 N 2.23 4.15 0.06 2.22 -4.36 0.16 0.55 121.20 126.21 1ygw s ILE 90 Ca 0.11 0.31 -0.27 0.00 -0.26 0.00 0.00 60.65 60.54 1ygw s ILE 90 Cb -0.14 -3.64 0.09 0.00 1.25 0.00 0.00 42.46 40.01 1ygw s ILE 90 CO -0.28 -0.73 0.86 0.28 0.24 0.00 0.00 174.94 175.32 1ygw s THR 91 N -3.03 0.00 -1.71 8.37 -1.32 0.12 -0.44 115.64 117.63 1ygw s THR 91 Ca 0.53 -0.19 0.25 0.00 -1.21 0.00 0.00 61.69 61.07 1ygw s THR 91 Cb -0.11 -1.27 0.17 0.00 -1.51 0.00 0.00 72.50 69.78 1ygw s THR 91 CO 0.48 0.00 1.43 1.41 -2.21 0.00 0.00 174.62 175.73 1ygw n HIS 92 N -0.32 0.00 0.32 9.09 8.25 -1.25 -1.70 115.22 129.60 1ygw n HIS 92 Ca -0.09 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.57 1ygw n HIS 92 Cb 0.62 -0.10 1.04 0.00 1.12 0.00 0.00 29.99 32.67 1ygw n HIS 92 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ygw h THR 93 N 1.30 0.08 -0.45 1.59 2.02 -1.91 -2.48 112.91 113.07 1ygw h THR 93 Ca 0.00 -0.17 -0.31 0.00 0.77 0.00 0.00 66.41 66.70 1ygw h THR 93 Cb 0.56 1.15 -0.38 0.00 -1.74 0.00 0.00 68.15 67.74 1ygw h THR 93 CO 0.00 0.01 -0.97 0.61 0.37 0.00 0.00 175.52 175.54 1ygw n GLY 94 N -0.80 3.40 0.73 2.16 0.00 -1.25 -4.78 105.19 104.64 1ygw n GLY 94 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 95 N -0.54 2.52 -2.18 4.61 0.00 -0.95 -4.59 120.51 119.39 1ygw n ALA 95 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1ygw n ALA 95 Cb 0.89 0.31 0.02 0.00 0.00 0.00 0.00 19.45 20.67 1ygw n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ygw n SER 96 N -2.48 -2.58 0.00 0.00 2.88 -1.14 -4.76 113.62 105.54 1ygw n SER 96 Ca 0.00 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ygw n SER 96 Cb 0.31 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 1ygw n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ygw n GLY 97 N -1.22 0.10 0.01 0.46 0.00 -1.26 -4.84 105.19 98.44 1ygw n GLY 97 Ca -0.05 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.31 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 0.64 -4.70 1.61 4.05 -1.26 -4.89 115.26 110.71 1ygw n ASN 98 Ca 0.00 -0.37 -0.31 0.00 0.45 0.00 0.00 54.58 54.35 1ygw n ASN 98 Cb 0.00 0.51 0.15 0.00 1.23 0.00 0.00 39.78 41.67 1ygw n ASN 98 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ygw s ASN 99 N -3.26 3.35 0.33 1.20 6.03 -1.26 -5.02 114.94 116.31 1ygw s ASN 99 Ca 0.09 2.04 0.08 0.00 -1.03 0.00 0.00 52.86 54.04 1ygw s ASN 99 Cb 0.16 -2.53 -0.06 0.00 -3.03 0.00 0.00 41.25 35.79 1ygw s ASN 99 CO 0.76 -2.80 -0.08 -0.36 -2.03 0.00 0.00 177.10 172.59 1ygw s PHE 100 N -2.73 2.27 -0.28 1.54 0.08 -1.26 -4.41 117.98 113.18 1ygw s PHE 100 Ca 0.65 -0.58 -0.20 0.00 0.12 0.00 0.00 56.93 56.92 1ygw s PHE 100 Cb -0.21 -1.32 0.10 0.00 -0.57 0.00 0.00 43.02 41.02 1ygw s PHE 100 CO 0.58 0.47 0.83 0.14 -0.10 0.00 0.00 175.22 177.14 1ygw s VAL 101 N -2.75 0.00 0.00 -0.44 -7.23 -0.69 -4.80 120.40 104.50 1ygw s VAL 101 Ca 0.32 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.16 1ygw s VAL 101 Cb 0.03 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.86 1ygw s VAL 101 CO 0.15 0.00 1.88 -1.84 -0.31 0.00 0.00 175.10 174.98 1ygw n GLU 102 N 3.34 2.47 0.00 4.82 0.28 -1.25 0.12 120.64 130.42 1ygw n GLU 102 Ca -0.17 0.90 0.00 0.00 -0.16 0.00 0.00 57.16 57.74 1ygw n GLU 102 Cb 0.57 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.66 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97