#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw n ASP 3 N -0.25 0.00 -3.64 0.00 9.92 -1.26 -3.46 116.55 117.86 1ygw n ASP 3 Ca 0.31 0.92 -0.25 0.00 -0.53 0.00 0.00 54.79 55.24 1ygw n ASP 3 Cb 0.42 -0.42 -0.17 0.00 -0.64 0.00 0.00 41.12 40.31 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ygw s TYR 4 N -4.72 0.24 -0.28 1.24 2.02 -1.26 -4.84 117.35 109.75 1ygw s TYR 4 Ca -0.04 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1ygw s TYR 4 Cb 0.23 -0.68 0.08 0.00 -0.40 0.00 0.00 41.96 41.19 1ygw s TYR 4 CO 0.76 -0.45 -0.02 0.99 -1.57 0.00 0.00 175.55 175.26 1ygw s THR 5 N 2.12 1.78 -1.51 -0.71 2.01 -1.23 0.37 115.64 118.48 1ygw s THR 5 Ca 0.02 -1.65 -0.12 0.00 0.31 0.00 0.00 61.69 60.26 1ygw s THR 5 Cb -0.15 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1ygw s THR 5 CO -0.08 -0.30 2.53 0.00 -0.69 0.00 0.00 174.62 176.08 1ygw n GLY 7 N 3.69 1.90 2.69 0.00 0.00 -1.26 -4.20 105.19 108.01 1ygw n GLY 7 Ca 0.63 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 3.32 0.39 -1.56 1.61 3.41 -1.26 -5.05 113.62 114.47 1ygw n SER 8 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1ygw n SER 8 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.32 1.55 -2.69 4.04 3.02 -1.26 -5.12 115.26 114.48 1ygw n ASN 9 Ca 0.04 -0.88 -0.04 0.00 -0.03 0.00 0.00 54.58 53.67 1ygw n ASN 9 Cb 0.83 0.00 0.05 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 2.12 1.26 -0.48 0.00 4.01 0.16 -4.85 117.16 119.37 1ygw n TYR 11 Ca 0.08 -1.84 -0.16 0.00 -0.16 0.00 0.00 57.90 55.83 1ygw n TYR 11 Cb 0.66 -1.34 0.01 0.00 -0.31 0.00 0.00 39.34 38.35 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 1.11 -1.71 0.02 7.72 3.41 -1.26 -2.71 113.62 120.20 1ygw n SER 12 Ca 0.44 0.22 0.15 0.00 -0.26 0.00 0.00 58.87 59.43 1ygw n SER 12 Cb 0.62 -0.34 0.24 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.11 0.00 0.12 4.04 3.41 -1.26 0.63 113.62 121.67 1ygw n SER 13 Ca 0.02 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.28 1ygw n SER 13 Cb 0.20 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.33 4.04 0.87 -1.97 -2.91 113.55 114.91 1ygw h SER 14 Ca 0.27 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1ygw h SER 14 Cb 2.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.40 1ygw h SER 14 CO -0.00 0.48 -0.70 0.44 -0.53 0.00 0.00 176.83 176.52 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 3.32 1.87 -3.25 116.42 124.58 1ygw h ASP 15 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ygw h ASP 15 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1ygw h ASP 15 CO 0.06 0.29 0.00 0.52 -1.72 0.00 0.00 179.24 178.38 1ygw n VAL 16 N -3.00 0.00 -0.28 -1.35 0.31 -0.41 -3.09 118.33 110.51 1ygw n VAL 16 Ca -0.01 0.66 0.13 0.00 -0.01 0.00 0.00 64.34 65.12 1ygw n VAL 16 Cb 0.67 -1.58 0.26 0.00 -0.91 0.00 0.00 33.84 32.28 1ygw n VAL 16 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ygw n SER 17 N -1.83 -0.06 -0.06 4.52 2.88 -1.10 0.17 113.62 118.14 1ygw n SER 17 Ca 0.00 1.36 -0.08 0.00 -1.33 0.00 0.00 58.87 58.82 1ygw n SER 17 Cb 0.00 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.36 -0.67 2.46 2.02 -1.66 0.66 112.91 116.09 1ygw h THR 18 Ca 0.50 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.67 1ygw h THR 18 Cb 1.08 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1ygw h THR 18 CO -0.74 0.00 0.36 0.00 0.37 0.00 0.00 175.52 175.51 1ygw h ALA 19 N 0.81 0.85 0.50 6.16 0.00 0.18 -2.98 119.26 124.79 1ygw h ALA 19 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ygw h ALA 19 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ygw h ALA 19 CO -0.42 0.37 -0.42 1.96 0.00 0.00 0.00 179.25 180.74 1ygw h GLN 20 N 0.91 -0.88 -1.04 0.00 4.20 0.68 0.28 115.11 119.26 1ygw h GLN 20 Ca 0.23 0.06 0.35 0.00 0.06 0.00 0.00 58.65 59.36 1ygw h GLN 20 Cb 0.05 0.20 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 1ygw h GLN 20 CO -0.04 -0.59 0.68 0.00 -0.67 0.00 0.00 178.83 178.21 1ygw n ALA 21 N -2.70 1.02 0.02 3.87 0.00 0.22 0.38 120.51 123.32 1ygw n ALA 21 Ca -0.12 0.61 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 1ygw n ALA 21 Cb 0.42 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 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 1.10 0.06 -0.50 0.00 0.00 -1.25 -1.70 119.26 116.97 1ygw h ALA 22 Ca 0.64 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ygw h ALA 22 Cb 2.12 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 1ygw h ALA 22 CO -0.30 0.63 0.26 0.78 0.00 0.00 0.00 179.25 180.62 1ygw h GLY 23 N -0.15 0.76 0.26 0.00 0.00 0.92 -1.81 103.07 103.05 1ygw h GLY 23 Ca -0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1ygw h GLY 23 CO 0.09 0.34 -0.12 -1.82 0.00 0.00 0.00 176.54 175.03 1ygw h TYR 24 N 0.66 -0.32 -0.87 5.60 3.20 0.19 -1.22 116.97 124.21 1ygw h TYR 24 Ca 0.17 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1ygw h TYR 24 Cb 0.08 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.35 1ygw h TYR 24 CO -0.01 -0.20 -0.51 1.17 -1.64 0.00 0.00 178.16 176.96 1ygw n LYS 25 N -4.41 -0.38 -0.07 1.82 3.00 -0.64 0.29 118.16 117.77 1ygw n LYS 25 Ca -0.04 1.34 0.04 0.00 -0.00 0.00 0.00 58.31 59.64 1ygw n LYS 25 Cb 0.14 -1.97 0.38 0.00 0.00 0.00 0.00 35.03 33.57 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 0.58 0.06 3.14 5.85 -1.45 -1.19 115.31 122.30 1ygw h LEU 26 Ca 0.14 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ygw h LEU 26 Cb 0.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ygw h LEU 26 CO -0.81 0.41 -0.03 -0.74 -0.34 0.00 0.00 178.44 176.93 1ygw h HIS 27 N 0.68 -0.08 -0.21 1.25 2.76 0.52 0.15 115.15 120.22 1ygw h HIS 27 Ca 0.20 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1ygw h HIS 27 Cb -0.04 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1ygw h HIS 27 CO -0.00 0.22 0.20 0.93 -1.30 0.00 0.00 177.93 177.98 1ygw h GLU 28 N -0.38 0.00 0.00 5.26 5.08 0.49 0.63 114.58 125.67 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 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ygw h GLU 28 CO 0.01 0.00 -0.68 -0.44 -1.00 0.00 0.00 179.01 176.90 1ygw h ASP 29 N 0.00 0.00 -0.56 1.42 5.19 -0.79 -3.48 116.42 118.20 1ygw h ASP 29 Ca 0.10 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1ygw h ASP 29 Cb 0.51 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1ygw h ASP 29 CO -0.00 0.03 -0.14 0.61 -3.12 0.00 0.00 179.24 176.62 1ygw n GLY 30 N 1.21 0.57 3.99 2.75 0.00 0.22 -5.03 105.19 108.90 1ygw n GLY 30 Ca 0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.27 2.46 0.00 1.61 0.41 -0.04 -5.01 118.70 114.86 1ygw s GLU 31 Ca 0.00 -1.58 0.00 0.00 -0.41 0.00 0.00 54.97 52.98 1ygw s GLU 31 Cb 0.00 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1ygw s GLU 31 CO 0.00 -0.61 0.00 0.25 -0.49 0.00 0.00 175.26 174.41 1ygw n THR 32 N -2.00 0.00 -4.35 3.63 -2.24 -1.25 -4.24 114.28 103.83 1ygw n THR 32 Ca 0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 1ygw n THR 32 Cb 0.61 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 1ygw n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ygw s VAL 33 N -0.87 0.74 0.00 2.28 -7.23 -1.07 -4.94 120.40 109.31 1ygw s VAL 33 Ca 0.00 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1ygw s VAL 33 Cb 0.00 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1ygw s VAL 33 CO 0.00 0.24 0.18 0.61 -0.31 0.00 0.00 175.10 175.82 1ygw n GLY 34 N 3.50 0.00 0.00 2.32 0.00 0.94 -3.47 105.19 108.48 1ygw n GLY 34 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.90 0.00 -1.42 1.61 3.41 -1.25 -1.41 113.62 115.46 1ygw n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ygw n SER 35 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.00 0.00 -1.57 4.04 3.02 -1.23 -4.95 115.26 114.58 1ygw n ASN 36 Ca 0.00 -0.48 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 1ygw n ASN 36 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.44 4.18 -4.79 6.41 3.41 -1.26 -3.85 113.62 116.27 1ygw n SER 37 Ca 0.00 -2.71 -0.36 0.00 -0.26 0.00 0.00 58.87 55.55 1ygw n SER 37 Cb 0.00 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.12 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 -1.31 3.57 0.64 7.33 1.51 -1.26 -4.09 117.35 123.75 1ygw s TYR 38 Ca 0.22 1.73 -0.11 0.00 -1.01 0.00 0.00 57.07 57.91 1ygw s TYR 38 Cb 0.18 -2.92 0.15 0.00 -0.11 0.00 0.00 41.96 39.27 1ygw s TYR 38 CO 0.03 0.08 0.71 -0.35 -1.11 0.00 0.00 175.55 174.90 1ygw n PRO 39 N 0.23 -1.50 0.00 -1.71 -0.04 -1.26 -2.60 135.00 128.12 1ygw n PRO 39 Ca 0.03 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1ygw n PRO 39 Cb 0.51 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.47 0.00 -0.85 0.54 1.44 -1.11 -4.95 115.22 106.82 1ygw n HIS 40 Ca 0.09 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.45 1ygw n HIS 40 Cb 0.34 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.55 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 -0.14 -0.59 -0.07 -1.40 4.81 -1.26 0.21 118.16 119.73 1ygw n LYS 41 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1ygw n LYS 41 Cb 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.64 0.00 0.00 5.64 4.19 0.24 -3.88 117.16 119.72 1ygw n TYR 42 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1ygw n TYR 42 Cb 0.63 0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.54 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N 0.00 0.00 -4.39 2.98 3.02 -1.26 -4.64 115.26 110.97 1ygw n ASN 43 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1ygw n ASN 43 Cb 0.51 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.80 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 0.00 -2.30 0.00 6.41 6.94 -1.26 -4.90 115.26 120.15 1ygw n ASN 44 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 1ygw n ASN 44 Cb 0.00 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.24 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 -3.55 -0.84 0.11 -2.53 4.01 -1.26 -4.90 117.16 108.19 1ygw n TYR 45 Ca 0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 1ygw n TYR 45 Cb 0.54 0.17 0.18 0.00 -0.31 0.00 0.00 39.34 39.92 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 5.08 -1.93 -3.40 114.58 113.60 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 -1.59 0.62 3.81 -3.84 0.00 -1.26 -5.13 105.19 97.80 1ygw n GLY 47 Ca 0.09 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.57 3.50 -0.90 1.61 0.08 -1.26 -5.01 117.98 115.43 1ygw s PHE 48 Ca 0.00 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.48 1ygw s PHE 48 Cb 0.00 -2.02 0.33 0.00 -0.57 0.00 0.00 43.02 40.76 1ygw s PHE 48 CO 0.00 0.54 1.64 -0.25 -0.10 0.00 0.00 175.22 177.05 1ygw n ASP 49 N 2.61 6.70 -4.64 1.36 8.00 -1.26 -4.95 116.55 124.38 1ygw n ASP 49 Ca -0.18 -3.70 -0.46 0.00 0.71 0.00 0.00 54.79 51.15 1ygw n ASP 49 Cb 0.54 -1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 1ygw n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ygw n PHE 50 N -0.15 2.23 0.30 1.24 3.72 -1.26 -4.77 117.46 118.76 1ygw n PHE 50 Ca 0.44 -0.09 0.02 0.00 -0.05 0.00 0.00 57.45 57.78 1ygw n PHE 50 Cb 0.30 -2.70 0.14 0.00 -0.94 0.00 0.00 39.48 36.28 1ygw n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ygw n SER 51 N 8.16 0.00 -4.65 4.37 3.41 -1.26 -4.55 113.62 119.10 1ygw n SER 51 Ca 0.25 -0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.43 1ygw n SER 51 Cb 0.34 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.02 3.76 0.62 -3.33 -7.23 -1.26 -5.10 120.40 105.83 1ygw s VAL 52 Ca 0.07 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1ygw s VAL 52 Cb 0.03 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.22 1ygw s VAL 52 CO 0.06 0.09 0.90 -0.55 -0.31 0.00 0.00 175.10 175.29 1ygw s SER 53 N -2.34 5.19 0.82 4.85 0.15 -1.26 -5.03 113.70 116.08 1ygw s SER 53 Ca 0.24 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.15 1ygw s SER 53 Cb -0.11 -1.21 0.09 0.00 -1.71 0.00 0.00 66.02 63.07 1ygw s SER 53 CO 0.17 -1.29 1.12 -0.94 1.20 0.00 0.00 173.24 173.50 1ygw s SER 54 N -4.42 4.28 0.70 5.45 1.04 -1.26 -4.55 113.70 114.94 1ygw s SER 54 Ca 0.57 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.02 1ygw s SER 54 Cb -0.11 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.22 1ygw s SER 54 CO 0.43 -2.08 1.06 -2.16 0.98 0.00 0.00 173.24 171.47 1ygw s PRO 55 N -5.26 2.93 -0.22 4.02 0.04 -1.26 -4.91 135.00 130.35 1ygw s PRO 55 Ca 0.62 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 1ygw s PRO 55 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1ygw s PRO 55 CO 0.53 -1.10 0.06 0.71 0.04 0.00 0.00 177.00 177.24 1ygw s TYR 56 N -3.05 3.13 -0.24 0.56 2.02 -1.22 -3.39 117.35 115.16 1ygw s TYR 56 Ca 0.58 -0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 56.97 1ygw s TYR 56 Cb -0.14 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 1ygw s TYR 56 CO 0.55 -0.17 0.04 0.71 -1.57 0.00 0.00 175.55 175.11 1ygw s TYR 57 N 1.14 3.06 0.20 2.71 2.02 4.92 -0.59 117.35 130.81 1ygw s TYR 57 Ca 0.04 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 1ygw s TYR 57 Cb -0.14 -2.20 -0.08 0.00 -0.40 0.00 0.00 41.96 39.14 1ygw s TYR 57 CO 0.03 -0.38 1.00 -1.83 -1.57 0.00 0.00 175.55 172.80 1ygw s GLU 58 N 1.53 4.73 -0.28 -0.62 4.04 0.58 0.12 118.70 128.80 1ygw s GLU 58 Ca 0.06 1.58 -0.25 0.00 0.04 0.00 0.00 54.97 56.40 1ygw s GLU 58 Cb -0.15 -3.29 0.10 0.00 0.02 0.00 0.00 34.13 30.82 1ygw s GLU 58 CO 0.02 0.31 0.92 -0.46 -1.84 0.00 0.00 175.26 174.21 1ygw s TRP 59 N -0.72 -0.59 0.60 4.83 -0.11 0.52 -2.77 118.94 120.72 1ygw s TRP 59 Ca 0.45 1.43 -0.15 0.00 1.22 0.00 0.00 56.10 59.05 1ygw s TRP 59 Cb -0.27 0.33 -0.03 0.00 -1.50 0.00 0.00 33.47 32.00 1ygw s TRP 59 CO 0.34 -0.28 1.05 -1.25 -4.62 0.00 0.00 176.95 172.18 1ygw s PRO 60 N 0.28 3.32 -0.15 5.86 0.04 -1.26 0.41 135.00 143.50 1ygw s PRO 60 Ca 0.02 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1ygw s PRO 60 Cb -0.05 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1ygw s PRO 60 CO -0.04 -0.81 -0.20 -1.50 0.04 0.00 0.00 177.00 174.50 1ygw s ILE 61 N -2.59 1.93 -0.22 0.56 2.07 -1.16 -4.60 121.20 117.19 1ygw s ILE 61 Ca 0.62 -0.89 -0.18 0.00 -1.41 0.00 0.00 60.65 58.79 1ygw s ILE 61 Cb -0.15 -1.74 -0.03 0.00 0.13 0.00 0.00 42.46 40.67 1ygw s ILE 61 CO 0.40 0.52 0.51 -0.76 -1.91 0.00 0.00 174.94 173.70 1ygw s LEU 62 N 1.06 4.11 0.00 8.50 1.43 -1.26 -4.76 118.68 127.76 1ygw s LEU 62 Ca -0.02 0.60 0.10 0.00 -1.03 0.00 0.00 54.13 53.79 1ygw s LEU 62 Cb -0.14 -2.67 0.54 0.00 0.03 0.00 0.00 46.19 43.94 1ygw s LEU 62 CO -0.06 -0.22 1.20 -1.20 0.23 0.00 0.00 176.35 176.30 1ygw n SER 63 N 5.07 0.00 0.03 2.29 7.64 -1.26 -0.67 113.62 126.71 1ygw n SER 63 Ca -0.05 0.07 0.11 0.00 1.01 0.00 0.00 58.87 60.02 1ygw n SER 63 Cb 0.50 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.25 0.63 -0.31 6.43 7.64 -1.26 -4.96 113.62 120.54 1ygw n SER 64 Ca 0.05 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1ygw n SER 64 Cb 0.08 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1ygw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ygw n GLY 65 N 1.39 0.87 0.00 0.23 0.00 0.15 -5.08 105.19 102.75 1ygw n GLY 65 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.40 0.88 -4.06 1.61 9.92 -1.26 -5.03 116.55 120.01 1ygw n ASP 66 Ca 0.00 -0.93 -0.32 0.00 -0.53 0.00 0.00 54.79 53.01 1ygw n ASP 66 Cb 0.43 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.76 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 0.22 2.28 -0.74 2.53 1.01 -1.26 -4.53 120.40 119.91 1ygw s VAL 67 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 61.98 59.79 1ygw s VAL 67 Cb 0.00 -2.45 -0.19 0.00 0.00 0.00 0.00 36.38 33.74 1ygw s VAL 67 CO 0.00 -0.22 2.45 0.00 0.00 0.00 0.00 175.10 177.34 1ygw n TYR 68 N 4.39 0.92 -0.12 5.22 9.36 -1.26 -4.76 117.16 130.92 1ygw n TYR 68 Ca -0.08 0.47 -0.22 0.00 3.32 0.00 0.00 57.90 61.39 1ygw n TYR 68 Cb 0.42 -2.39 -0.08 0.00 -0.63 0.00 0.00 39.34 36.66 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 9.95 1.91 -3.00 2.98 3.41 -1.26 -4.75 113.62 122.87 1ygw n SER 69 Ca 0.58 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1ygw n SER 69 Cb 0.07 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 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 1.37 -0.91 1.94 5.00 0.00 -1.18 0.32 105.19 111.72 1ygw n GLY 70 Ca -0.37 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 2.76 2.29 2.45 -0.02 0.00 -0.50 -3.92 105.19 108.25 1ygw n GLY 71 Ca 0.00 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 72 N -0.20 2.03 -1.78 1.61 3.41 -1.26 -4.94 113.62 112.48 1ygw n SER 72 Ca 0.12 -3.19 -0.03 0.00 -0.26 0.00 0.00 58.87 55.51 1ygw n SER 72 Cb 0.95 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ygw n PRO 73 N 0.07 0.99 0.00 4.33 -0.04 -1.26 -4.87 135.00 134.22 1ygw n PRO 73 Ca 0.26 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ygw n PRO 73 Cb 0.60 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.94 0.25 0.00 0.55 0.00 -1.26 -3.00 105.19 103.67 1ygw n GLY 74 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 6.50 0.27 -1.94 4.61 0.00 -1.26 -4.93 120.51 123.76 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 -0.92 6.62 -0.04 0.00 1.01 -1.16 -1.72 116.67 120.46 1ygw s ASP 76 Ca 0.00 2.61 -0.05 0.00 0.71 0.00 0.00 52.55 55.82 1ygw s ASP 76 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1ygw s ASP 76 CO 0.00 -0.78 0.12 -0.13 0.21 0.00 0.00 175.17 174.59 1ygw s ARG 77 N 0.75 0.19 0.12 8.23 1.81 0.11 -2.98 118.95 127.18 1ygw s ARG 77 Ca 0.67 0.08 0.08 0.00 -1.72 0.00 0.00 55.73 54.84 1ygw s ARG 77 Cb -0.43 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.12 1ygw s ARG 77 CO 0.34 -0.03 -0.11 0.14 -0.68 0.00 0.00 175.30 174.97 1ygw s VAL 78 N -0.15 3.28 -0.14 3.52 -7.23 1.37 0.56 120.40 121.61 1ygw s VAL 78 Ca -0.02 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1ygw s VAL 78 Cb -0.02 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1ygw s VAL 78 CO 0.00 0.07 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.13 1ygw s VAL 79 N -1.30 0.89 0.00 1.32 1.01 0.25 0.20 120.40 122.77 1ygw s VAL 79 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1ygw s VAL 79 Cb -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1ygw s VAL 79 CO 0.14 0.18 0.00 2.22 0.00 0.00 0.00 175.10 177.63 1ygw n PHE 80 N 4.96 0.00 -3.54 5.22 -1.74 0.32 0.36 117.46 123.05 1ygw n PHE 80 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.78 1ygw n PHE 80 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 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 0.00 0.06 -0.64 5.98 3.02 -0.44 0.86 115.26 124.10 1ygw n ASN 81 Ca 0.00 -0.54 0.09 0.00 -0.03 0.00 0.00 54.58 54.10 1ygw n ASN 81 Cb 0.00 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.46 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ygw n GLU 82 N 0.00 1.82 -0.02 3.52 2.13 -1.26 -3.51 120.64 123.32 1ygw n GLU 82 Ca 0.00 -1.25 0.03 0.00 0.66 0.00 0.00 57.16 56.59 1ygw n GLU 82 Cb 0.00 -1.36 -0.14 0.00 0.27 0.00 0.00 31.44 30.21 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 0.49 0.22 0.00 4.31 6.94 -1.26 -4.97 115.26 120.99 1ygw n ASN 83 Ca 0.15 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1ygw n ASN 83 Cb 0.34 1.25 0.00 0.00 -2.36 0.00 0.00 39.78 39.01 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 -2.55 0.00 -4.39 0.53 2.04 -1.23 -5.09 115.26 104.57 1ygw n ASN 84 Ca -0.14 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.61 1ygw n ASN 84 Cb 0.80 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.93 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 -0.01 3.02 0.09 -3.83 -0.21 -1.26 -4.92 119.66 112.53 1ygw s GLN 85 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 55.36 54.43 1ygw s GLN 85 Cb 0.00 -3.62 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 1ygw s GLN 85 CO 0.00 -0.57 0.26 -1.17 -2.12 0.00 0.00 175.29 171.69 1ygw s LEU 86 N 1.56 4.33 0.00 2.90 0.20 -1.26 -1.32 118.68 125.09 1ygw s LEU 86 Ca 0.03 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.23 1ygw s LEU 86 Cb -0.18 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.51 1ygw s LEU 86 CO 0.06 0.13 0.00 0.00 -0.29 0.00 0.00 176.35 176.25 1ygw n ALA 87 N 0.24 0.27 -0.09 5.97 0.00 1.15 -4.74 120.51 123.30 1ygw n ALA 87 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ygw n ALA 87 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1ygw n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ygw n GLY 88 N -1.11 0.91 1.40 0.00 0.00 0.76 -4.40 105.19 102.75 1ygw n GLY 88 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1ygw n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ygw n VAL 89 N 3.42 1.78 -0.87 1.61 0.31 -1.17 0.85 118.33 124.27 1ygw n VAL 89 Ca 0.00 -0.53 -0.30 0.00 -0.01 0.00 0.00 64.34 63.50 1ygw n VAL 89 Cb 0.00 -1.24 0.25 0.00 -0.91 0.00 0.00 33.84 31.93 1ygw n VAL 89 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ygw s ILE 90 N -0.45 1.57 -0.08 2.52 -0.00 0.19 0.28 121.20 125.24 1ygw s ILE 90 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.42 1ygw s ILE 90 Cb 0.05 -2.35 0.10 0.00 -0.00 0.00 0.00 42.46 40.27 1ygw s ILE 90 CO 0.00 0.00 0.86 0.28 -0.00 0.00 0.00 174.94 176.08 1ygw s THR 91 N -2.77 0.00 -1.81 8.37 -1.32 0.37 0.05 115.64 118.52 1ygw s THR 91 Ca 0.70 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.18 1ygw s THR 91 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1ygw s THR 91 CO 0.57 0.00 0.67 1.41 -2.21 0.00 0.00 174.62 175.07 1ygw n HIS 92 N 0.52 0.00 -1.51 9.09 8.25 -0.70 -3.15 115.22 127.73 1ygw n HIS 92 Ca -0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.17 1ygw n HIS 92 Cb 0.59 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.38 0.00 -3.17 1.59 -1.04 -1.26 -3.07 114.28 106.94 1ygw n THR 93 Ca 0.00 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.34 1ygw n THR 93 Cb 0.03 -1.09 -0.04 0.00 -1.82 0.00 0.00 70.33 67.41 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 6.12 -0.17 0.00 3.41 0.00 -1.26 -4.60 105.19 108.68 1ygw n GLY 94 Ca 0.52 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.47 1.08 -0.04 4.61 0.00 -1.18 -4.72 120.51 117.79 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 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.04 0.00 0.00 2.88 -1.26 -4.72 113.62 109.02 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 0.01 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.02 0.07 0.96 0.46 0.00 -1.26 -4.53 105.19 100.87 1ygw n GLY 97 Ca 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 2.85 -4.72 1.61 4.05 -1.26 -4.93 115.26 112.86 1ygw n ASN 98 Ca 0.00 -1.92 -0.30 0.00 0.45 0.00 0.00 54.58 52.81 1ygw n ASN 98 Cb 0.00 -0.23 0.13 0.00 1.23 0.00 0.00 39.78 40.91 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 -1.41 3.67 0.37 1.20 6.03 -1.26 -5.03 114.94 118.50 1ygw s ASN 99 Ca 0.37 1.70 0.08 0.00 -1.03 0.00 0.00 52.86 53.98 1ygw s ASN 99 Cb 0.21 -2.36 -0.06 0.00 -3.03 0.00 0.00 41.25 36.01 1ygw s ASN 99 CO 0.29 -2.55 0.04 -0.36 -2.03 0.00 0.00 177.10 172.49 1ygw s PHE 100 N -2.86 2.54 -0.29 1.54 0.08 -1.26 -4.54 117.98 113.18 1ygw s PHE 100 Ca 0.63 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.03 1ygw s PHE 100 Cb -0.19 -1.64 0.11 0.00 -0.57 0.00 0.00 43.02 40.74 1ygw s PHE 100 CO 0.57 0.42 0.73 0.14 -0.10 0.00 0.00 175.22 176.98 1ygw s VAL 101 N -2.58 -0.45 -0.02 -0.44 -7.23 -1.19 -4.87 120.40 103.63 1ygw s VAL 101 Ca 0.36 0.00 -0.34 0.00 -1.81 0.00 0.00 61.98 60.19 1ygw s VAL 101 Cb 0.03 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.84 1ygw s VAL 101 CO 0.20 0.00 1.77 -1.84 -0.31 0.00 0.00 175.10 174.91 1ygw n GLU 102 N 4.78 2.08 -0.54 4.82 0.28 -1.26 -0.48 120.64 130.32 1ygw n GLU 102 Ca -0.16 0.76 -0.20 0.00 -0.16 0.00 0.00 57.16 57.41 1ygw n GLU 102 Cb 0.54 -2.57 0.15 0.00 1.43 0.00 0.00 31.44 30.99 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97