#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 1.16 0.12 -3.46 0.00 9.92 -1.26 -4.76 116.55 118.28 1ygw n ASP 3 Ca 0.15 -0.44 -0.27 0.00 -0.53 0.00 0.00 54.79 53.71 1ygw n ASP 3 Cb 0.07 0.30 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 1ygw n ASP 3 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ygw n TYR 4 N -0.30 0.47 -2.89 1.24 4.01 -1.25 -4.67 117.16 113.77 1ygw n TYR 4 Ca 0.00 -3.65 -0.43 0.00 -0.16 0.00 0.00 57.90 53.66 1ygw n TYR 4 Cb 0.04 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 1ygw n TYR 4 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ygw s THR 5 N -0.75 4.44 -1.53 -0.72 2.01 -1.24 -3.63 115.64 114.23 1ygw s THR 5 Ca 0.32 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 1ygw s THR 5 Cb 0.06 -4.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 1ygw s THR 5 CO -0.16 -1.14 2.61 0.00 -0.69 0.00 0.00 174.62 175.24 1ygw n GLY 7 N 3.53 0.70 2.57 0.00 0.00 -1.26 -3.91 105.19 106.81 1ygw n GLY 7 Ca 0.66 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 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 1.59 2.98 -2.10 1.61 3.41 -1.26 -5.06 113.62 114.79 1ygw n SER 8 Ca 0.00 -3.25 -0.09 0.00 -0.26 0.00 0.00 58.87 55.27 1ygw n SER 8 Cb 0.00 -0.52 -0.03 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 -0.20 -0.49 -2.66 4.04 3.02 -1.25 -5.00 115.26 112.72 1ygw n ASN 9 Ca 0.25 -2.07 -0.03 0.00 -0.03 0.00 0.00 54.58 52.70 1ygw n ASN 9 Cb 0.68 1.02 0.11 0.00 -0.61 0.00 0.00 39.78 40.99 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 0.04 2.13 1.44 0.00 -0.85 -1.24 -4.49 117.35 114.38 1ygw s TYR 11 Ca 0.21 -2.19 -0.23 0.00 -0.52 0.00 0.00 57.07 54.33 1ygw s TYR 11 Cb 0.29 -1.97 0.37 0.00 0.38 0.00 0.00 41.96 41.03 1ygw s TYR 11 CO -0.19 -0.85 0.92 -1.54 -1.52 0.00 0.00 175.55 172.37 1ygw s SER 12 N 1.02 -1.18 0.50 -0.18 1.04 -1.26 -3.88 113.70 109.76 1ygw s SER 12 Ca 0.13 0.83 0.20 0.00 0.48 0.00 0.00 55.95 57.58 1ygw s SER 12 Cb -0.20 -1.16 1.07 0.00 0.10 0.00 0.00 66.02 65.82 1ygw s SER 12 CO -0.13 -5.43 1.55 0.77 0.98 0.00 0.00 173.24 170.97 1ygw h SER 13 N -3.47 0.00 0.89 7.02 4.64 -1.91 1.51 113.55 122.24 1ygw h SER 13 Ca -0.42 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1ygw h SER 13 CO 0.27 0.00 -1.14 -1.28 -0.87 0.00 0.00 176.83 173.81 1ygw h SER 14 N 0.00 0.01 0.20 4.97 0.87 -1.95 -2.93 113.55 114.71 1ygw h SER 14 Ca 0.00 -0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1ygw h SER 14 Cb 0.73 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1ygw h SER 14 CO 0.00 1.01 -1.68 0.44 -0.53 0.00 0.00 176.83 176.07 1ygw h ASP 15 N 0.00 0.65 -0.30 6.23 5.19 0.18 -3.35 116.42 125.01 1ygw h ASP 15 Ca -0.07 -0.93 0.04 0.00 -0.62 0.00 0.00 57.03 55.45 1ygw h ASP 15 Cb 1.82 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 41.08 1ygw h ASP 15 CO 0.12 1.77 0.06 0.58 -3.12 0.00 0.00 179.24 178.65 1ygw h VAL 16 N 0.08 0.85 -0.87 -1.35 2.07 -0.88 -2.21 116.25 113.94 1ygw h VAL 16 Ca -0.33 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.29 1ygw h VAL 16 Cb 2.09 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 32.37 1ygw h VAL 16 CO 0.19 0.03 -0.29 -0.24 0.02 0.00 0.00 177.57 177.28 1ygw n SER 17 N -5.09 -0.46 -0.15 0.57 2.88 -1.11 0.10 113.62 110.37 1ygw n SER 17 Ca 0.00 1.51 -0.06 0.00 -1.33 0.00 0.00 58.87 58.99 1ygw n SER 17 Cb 0.13 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.24 -0.75 2.46 2.02 -1.55 0.54 112.91 115.87 1ygw h THR 18 Ca 0.35 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.58 1ygw h THR 18 Cb 0.57 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1ygw h THR 18 CO -0.88 0.00 0.45 0.00 0.37 0.00 0.00 175.52 175.46 1ygw h ALA 19 N 0.94 1.00 0.40 6.16 0.00 0.69 -2.55 119.26 125.90 1ygw h ALA 19 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ygw h ALA 19 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ygw h ALA 19 CO -0.58 0.19 -0.30 1.96 0.00 0.00 0.00 179.25 180.51 1ygw h GLN 20 N 0.85 -0.67 -1.28 0.00 4.20 0.18 -1.35 115.11 117.04 1ygw h GLN 20 Ca 0.32 0.05 0.42 0.00 0.06 0.00 0.00 58.65 59.50 1ygw h GLN 20 Cb 0.12 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 1ygw h GLN 20 CO -0.15 -0.45 0.86 0.00 -0.67 0.00 0.00 178.83 178.42 1ygw n ALA 21 N -2.55 1.26 0.09 3.87 0.00 0.16 0.21 120.51 123.55 1ygw n ALA 21 Ca -0.10 0.68 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 1ygw n ALA 21 Cb 0.33 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 1.20 -0.31 -0.75 0.00 0.00 -1.19 -0.25 119.26 117.96 1ygw h ALA 22 Ca 0.75 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1ygw h ALA 22 Cb 2.58 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 20.43 1ygw h ALA 22 CO -0.29 -0.36 0.43 0.78 0.00 0.00 0.00 179.25 179.81 1ygw h GLY 23 N -0.93 1.13 0.49 0.00 0.00 0.29 -1.50 103.07 102.56 1ygw h GLY 23 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1ygw h GLY 23 CO 0.05 0.17 -0.24 -1.82 0.00 0.00 0.00 176.54 174.70 1ygw h TYR 24 N 0.77 -0.61 -0.76 5.60 3.20 0.34 0.19 116.97 125.70 1ygw h TYR 24 Ca 0.34 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.27 1ygw h TYR 24 Cb 0.24 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.62 1ygw h TYR 24 CO -0.07 -0.38 -0.45 1.17 -1.64 0.00 0.00 178.16 176.80 1ygw n LYS 25 N -4.23 -0.33 -0.24 1.82 3.00 -0.11 0.25 118.16 118.32 1ygw n LYS 25 Ca -0.08 1.34 0.07 0.00 -0.00 0.00 0.00 58.31 59.64 1ygw n LYS 25 Cb 0.26 -1.98 0.33 0.00 0.00 0.00 0.00 35.03 33.63 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 0.73 -0.03 3.14 5.85 -1.34 -0.10 115.31 123.57 1ygw h LEU 26 Ca 0.12 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ygw h LEU 26 Cb 0.31 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1ygw h LEU 26 CO -0.71 0.45 0.01 -0.74 -0.34 0.00 0.00 178.44 177.11 1ygw h HIS 27 N 0.82 0.05 -0.02 1.25 2.76 0.56 0.49 115.15 121.05 1ygw h HIS 27 Ca 0.37 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1ygw h HIS 27 Cb 0.37 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1ygw h HIS 27 CO -0.00 0.21 0.02 0.93 -1.30 0.00 0.00 177.93 177.79 1ygw h GLU 28 N -0.12 0.00 0.00 5.26 5.08 0.45 0.29 114.58 125.53 1ygw h GLU 28 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ygw h GLU 28 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ygw h GLU 28 CO -0.00 0.00 -0.75 -0.44 -1.00 0.00 0.00 179.01 176.82 1ygw h ASP 29 N 0.00 0.00 -0.41 1.42 5.19 -0.38 -3.48 116.42 118.77 1ygw h ASP 29 Ca 0.01 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.19 1ygw h ASP 29 Cb 0.05 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1ygw h ASP 29 CO -0.00 0.06 -0.10 0.61 -3.12 0.00 0.00 179.24 176.69 1ygw n GLY 30 N 1.27 0.54 4.02 2.75 0.00 0.14 -5.03 105.19 108.87 1ygw n GLY 30 Ca 0.02 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.10 2.55 0.41 1.61 0.41 0.71 -4.99 118.70 116.30 1ygw s GLU 31 Ca 0.00 -1.45 0.01 0.00 -0.41 0.00 0.00 54.97 53.12 1ygw s GLU 31 Cb 0.00 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 1ygw s GLU 31 CO 0.00 -0.58 0.05 0.25 -0.49 0.00 0.00 175.26 174.48 1ygw n THR 32 N -2.06 0.00 -3.80 3.63 -2.24 -1.26 -4.44 114.28 104.11 1ygw n THR 32 Ca 0.12 -2.10 -0.14 0.00 -2.27 0.00 0.00 64.05 59.66 1ygw n THR 32 Cb 0.60 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.72 -0.04 0.00 2.28 -7.23 -0.53 -4.96 120.40 107.20 1ygw s VAL 33 Ca 0.07 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1ygw s VAL 33 Cb 0.00 -0.09 0.00 0.00 0.56 0.00 0.00 36.38 36.86 1ygw s VAL 33 CO 0.05 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1ygw n GLY 34 N 3.79 -0.45 0.93 2.32 0.00 -1.25 -3.66 105.19 106.88 1ygw n GLY 34 Ca -0.22 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 0.20 2.80 -0.89 1.61 2.88 -1.26 -4.67 113.62 114.29 1ygw n SER 35 Ca 0.00 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1ygw n SER 35 Cb 0.00 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 1.08 0.00 -2.40 -3.46 4.13 -1.24 -4.93 115.26 108.44 1ygw n ASN 36 Ca 0.18 -0.40 -0.21 0.00 1.68 0.00 0.00 54.58 55.83 1ygw n ASN 36 Cb 0.51 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.77 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 -1.19 4.01 -4.90 6.41 3.41 -1.26 -4.48 113.62 115.62 1ygw n SER 37 Ca 0.00 -3.42 -0.32 0.00 -0.26 0.00 0.00 58.87 54.87 1ygw n SER 37 Cb 0.00 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.53 3.52 0.18 7.33 1.51 -1.26 -4.09 117.35 121.01 1ygw s TYR 38 Ca 0.44 0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 56.92 1ygw s TYR 38 Cb 0.40 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1ygw s TYR 38 CO -0.07 0.54 0.20 -0.35 -1.11 0.00 0.00 175.55 174.76 1ygw n PRO 39 N 0.47 -0.78 -3.62 -1.71 -0.04 -1.26 -1.45 135.00 126.61 1ygw n PRO 39 Ca -0.06 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.06 1ygw n PRO 39 Cb 0.52 -0.24 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.40 -0.08 0.78 0.54 -3.43 -1.16 -4.98 115.29 105.57 1ygw s HIS 40 Ca 0.12 0.08 -0.17 0.00 -0.80 0.00 0.00 55.06 54.29 1ygw s HIS 40 Cb -0.01 0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 31.51 1ygw s HIS 40 CO 0.09 -0.11 -0.43 1.17 -2.00 0.00 0.00 174.74 173.46 1ygw n LYS 41 N 0.16 0.01 0.00 -0.38 3.00 -1.26 -0.40 118.16 119.28 1ygw n LYS 41 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1ygw n LYS 41 Cb 0.58 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.54 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 -2.12 0.00 0.00 5.64 4.19 0.48 -4.36 117.16 120.99 1ygw n TYR 42 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1ygw n TYR 42 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N -1.22 0.00 0.00 2.98 5.03 -0.93 -4.81 115.26 116.31 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 6.66 0.00 0.00 6.41 6.94 -1.26 -4.79 115.26 129.21 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 -1.39 0.00 0.29 -2.53 4.02 -1.26 -4.94 117.16 111.35 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1ygw n TYR 45 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.58 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 -1.36 0.67 3.80 -3.84 0.00 -1.26 -5.10 105.19 98.11 1ygw n GLY 47 Ca -0.01 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.58 3.52 -1.15 1.61 0.08 -1.26 -4.98 117.98 115.22 1ygw s PHE 48 Ca 0.00 0.48 -0.04 0.00 0.12 0.00 0.00 56.93 57.49 1ygw s PHE 48 Cb 0.00 -2.08 0.25 0.00 -0.57 0.00 0.00 43.02 40.61 1ygw s PHE 48 CO 0.00 0.51 1.89 -0.25 -0.10 0.00 0.00 175.22 177.27 1ygw n ASP 49 N 2.72 6.98 -4.55 1.36 8.00 -1.26 -4.91 116.55 124.89 1ygw n ASP 49 Ca -0.17 -3.41 -0.35 0.00 0.71 0.00 0.00 54.79 51.56 1ygw n ASP 49 Cb 0.53 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 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 -2.52 1.47 -0.25 1.24 0.08 -1.26 -4.78 117.98 111.95 1ygw s PHE 50 Ca 0.41 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.52 1ygw s PHE 50 Cb 0.14 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1ygw s PHE 50 CO -0.04 -2.29 0.52 -1.13 -0.10 0.00 0.00 175.22 172.19 1ygw n SER 51 N 14.10 1.50 -4.35 1.36 3.41 -1.26 -4.68 113.62 123.69 1ygw n SER 51 Ca 0.28 -1.20 -0.21 0.00 -0.26 0.00 0.00 58.87 57.48 1ygw n SER 51 Cb 0.52 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.04 1.88 0.16 -3.33 -7.23 -1.26 -5.07 120.40 105.59 1ygw s VAL 52 Ca 0.00 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 57.93 1ygw s VAL 52 Cb 0.00 -1.96 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 1ygw s VAL 52 CO 0.00 -0.41 0.63 -0.44 -0.31 0.00 0.00 175.10 174.57 1ygw s SER 53 N -2.96 6.97 1.11 4.85 0.01 -1.26 -5.04 113.70 117.38 1ygw s SER 53 Ca 0.19 1.25 -0.14 0.00 1.31 0.00 0.00 55.95 58.57 1ygw s SER 53 Cb -0.04 -2.36 0.25 0.00 0.21 0.00 0.00 66.02 64.08 1ygw s SER 53 CO 0.08 0.11 1.06 -0.94 0.41 0.00 0.00 173.24 173.95 1ygw s SER 54 N -1.58 1.59 0.63 2.44 1.04 -1.26 -4.66 113.70 111.91 1ygw s SER 54 Ca 0.38 1.20 -0.13 0.00 0.48 0.00 0.00 55.95 57.88 1ygw s SER 54 Cb -0.17 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 1ygw s SER 54 CO 0.20 -3.78 1.05 -2.16 0.98 0.00 0.00 173.24 169.54 1ygw s PRO 55 N -4.83 3.19 -0.33 4.02 0.04 -1.26 -4.81 135.00 131.01 1ygw s PRO 55 Ca 0.67 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 55 Cb -0.20 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1ygw s PRO 55 CO 0.60 -0.91 0.28 0.71 0.04 0.00 0.00 177.00 177.73 1ygw s TYR 56 N -2.74 3.22 -0.17 0.56 2.02 -1.24 -3.58 117.35 115.43 1ygw s TYR 56 Ca 0.61 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.11 1ygw s TYR 56 Cb -0.15 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 38.83 1ygw s TYR 56 CO 0.45 -0.36 0.19 0.71 -1.57 0.00 0.00 175.55 174.97 1ygw s TYR 57 N 1.84 3.46 -0.06 2.71 2.02 4.70 0.18 117.35 132.20 1ygw s TYR 57 Ca 0.08 0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 57.11 1ygw s TYR 57 Cb -0.17 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1ygw s TYR 57 CO 0.11 0.35 0.32 -1.83 -1.57 0.00 0.00 175.55 172.93 1ygw s GLU 58 N 0.14 3.84 -0.11 -0.62 -1.05 0.46 0.29 118.70 121.64 1ygw s GLU 58 Ca 0.12 0.22 -0.21 0.00 -0.15 0.00 0.00 54.97 54.95 1ygw s GLU 58 Cb -0.12 -3.24 0.05 0.00 -0.44 0.00 0.00 34.13 30.38 1ygw s GLU 58 CO 0.01 0.65 0.51 -0.46 0.95 0.00 0.00 175.26 176.91 1ygw s TRP 59 N -0.83 -0.49 0.46 4.83 -0.11 0.49 -2.97 118.94 120.33 1ygw s TRP 59 Ca 0.20 1.02 -0.21 0.00 1.22 0.00 0.00 56.10 58.33 1ygw s TRP 59 Cb -0.15 0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 31.96 1ygw s TRP 59 CO 0.09 -0.40 1.04 -1.25 -4.62 0.00 0.00 176.95 171.82 1ygw s PRO 60 N -0.56 3.89 -0.18 5.86 0.04 -1.26 0.64 135.00 143.43 1ygw s PRO 60 Ca -0.07 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1ygw s PRO 60 Cb -0.03 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1ygw s PRO 60 CO 0.04 -0.36 -0.14 -1.50 0.04 0.00 0.00 177.00 175.08 1ygw s ILE 61 N -1.90 2.60 -0.21 0.56 2.07 -1.00 -4.55 121.20 118.78 1ygw s ILE 61 Ca 0.65 -0.77 -0.21 0.00 -1.41 0.00 0.00 60.65 58.92 1ygw s ILE 61 Cb -0.18 -2.12 -0.02 0.00 0.13 0.00 0.00 42.46 40.27 1ygw s ILE 61 CO 0.22 0.50 0.62 -0.76 -1.91 0.00 0.00 174.94 173.61 1ygw s LEU 62 N 1.18 4.12 0.00 8.50 1.43 -1.26 -4.65 118.68 128.00 1ygw s LEU 62 Ca 0.02 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 1ygw s LEU 62 Cb -0.14 -2.87 0.28 0.00 0.03 0.00 0.00 46.19 43.49 1ygw s LEU 62 CO -0.06 -0.29 1.07 -0.24 0.23 0.00 0.00 176.35 177.06 1ygw n SER 63 N 5.19 0.00 0.06 2.29 2.88 -1.26 -0.17 113.62 122.61 1ygw n SER 63 Ca -0.01 0.28 0.11 0.00 -1.33 0.00 0.00 58.87 57.92 1ygw n SER 63 Cb 0.50 -0.34 0.04 0.00 -0.75 0.00 0.00 64.21 63.65 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ygw n SER 64 N -1.34 0.67 -0.25 -3.46 7.64 -1.26 -4.96 113.62 110.65 1ygw n SER 64 Ca 0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ygw n SER 64 Cb 0.05 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 1.28 0.92 0.00 0.23 0.00 0.77 -5.08 105.19 103.30 1ygw n GLY 65 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.22 1.07 -4.15 1.61 9.92 -1.26 -4.99 116.55 119.97 1ygw n ASP 66 Ca 0.00 -0.95 -0.35 0.00 -0.53 0.00 0.00 54.79 52.96 1ygw n ASP 66 Cb 0.37 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.72 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 0.01 3.10 -0.75 2.53 1.01 -1.26 -4.47 120.40 120.58 1ygw s VAL 67 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 61.98 59.97 1ygw s VAL 67 Cb 0.00 -2.95 -0.17 0.00 0.00 0.00 0.00 36.38 33.26 1ygw s VAL 67 CO 0.00 -0.37 2.52 0.00 0.00 0.00 0.00 175.10 177.25 1ygw n TYR 68 N 4.60 0.96 -2.08 5.22 9.36 -1.26 -4.77 117.16 129.19 1ygw n TYR 68 Ca -0.08 0.33 -0.28 0.00 3.32 0.00 0.00 57.90 61.20 1ygw n TYR 68 Cb 0.43 -2.46 0.02 0.00 -0.63 0.00 0.00 39.34 36.70 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 11.58 5.40 -3.67 2.98 3.41 -1.26 -4.72 113.62 127.33 1ygw n SER 69 Ca 0.55 -3.75 -0.09 0.00 -0.26 0.00 0.00 58.87 55.32 1ygw n SER 69 Cb 0.18 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 1ygw n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ygw s GLY 70 N -3.17 -0.46 0.00 5.00 0.00 -1.26 -3.81 107.32 103.61 1ygw s GLY 70 Ca 0.52 1.91 0.00 0.00 0.00 0.00 0.00 44.72 47.15 1ygw s GLY 70 CO -0.08 2.03 0.67 0.61 0.00 0.00 0.00 173.10 176.34 1ygw n GLY 71 N 4.35 -0.22 3.04 0.20 0.00 -1.26 -3.00 105.19 108.31 1ygw n GLY 71 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ygw s SER 72 N -2.34 5.47 -0.05 1.61 1.04 -1.26 -4.80 113.70 113.37 1ygw s SER 72 Ca 0.00 -3.60 -0.08 0.00 0.48 0.00 0.00 55.95 52.75 1ygw s SER 72 Cb 0.00 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 1ygw s SER 72 CO 0.00 -0.18 0.36 1.55 0.98 0.00 0.00 173.24 175.95 1ygw h PRO 73 N 6.01 -0.27 0.00 4.02 0.13 -1.94 -3.50 132.00 136.45 1ygw h PRO 73 Ca 0.12 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ygw h PRO 73 Cb 0.82 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ygw h PRO 73 CO 0.79 -0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1ygw n GLY 74 N 0.98 0.31 0.71 1.56 0.00 -1.26 -4.91 105.19 102.59 1ygw n GLY 74 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.72 2.45 -1.82 4.61 0.00 -1.26 -4.85 120.51 118.92 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 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -4.14 6.49 -0.07 0.00 1.01 -1.26 -2.24 116.67 116.46 1ygw s ASP 76 Ca 0.00 2.79 -0.14 0.00 0.71 0.00 0.00 52.55 55.90 1ygw s ASP 76 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1ygw s ASP 76 CO 0.00 -0.86 0.35 -0.13 0.21 0.00 0.00 175.17 174.74 1ygw s ARG 77 N 0.30 0.57 -0.07 8.23 1.81 0.04 -2.36 118.95 127.47 1ygw s ARG 77 Ca 0.67 0.16 0.03 0.00 -1.72 0.00 0.00 55.73 54.87 1ygw s ARG 77 Cb -0.46 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.28 1ygw s ARG 77 CO 0.39 -0.13 -0.17 0.54 -0.68 0.00 0.00 175.30 175.26 1ygw s VAL 78 N -0.60 2.78 -0.09 3.52 0.11 2.86 -0.79 120.40 128.19 1ygw s VAL 78 Ca -0.07 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1ygw s VAL 78 Cb -0.04 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1ygw s VAL 78 CO 0.03 0.57 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.58 1ygw s VAL 79 N -0.32 3.47 0.00 2.04 1.01 -1.25 0.18 120.40 125.54 1ygw s VAL 79 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ygw s VAL 79 Cb -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1ygw s VAL 79 CO 0.02 0.56 0.00 2.22 0.00 0.00 0.00 175.10 177.91 1ygw n PHE 80 N 2.75 -0.06 -4.07 5.22 -1.74 0.83 0.94 117.46 121.32 1ygw n PHE 80 Ca -0.18 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.67 1ygw n PHE 80 Cb 0.53 0.00 -0.01 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 -0.48 0.34 -0.90 5.98 3.02 -0.41 0.84 115.26 123.65 1ygw n ASN 81 Ca 0.00 -1.40 0.03 0.00 -0.03 0.00 0.00 54.58 53.18 1ygw n ASN 81 Cb 0.00 0.26 0.15 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.14 2.27 -0.02 3.52 2.13 -1.25 -3.27 120.64 123.89 1ygw n GLU 82 Ca 0.00 -1.17 0.03 0.00 0.66 0.00 0.00 57.16 56.69 1ygw n GLU 82 Cb 0.11 -1.64 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 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 0.27 2.17 0.00 4.31 6.94 -1.26 -4.99 115.26 122.69 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 0.51 1.35 0.00 0.00 -2.36 0.00 0.00 39.78 39.28 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 -2.07 0.00 -4.60 0.53 2.04 -1.20 -5.10 115.26 104.86 1ygw n ASN 84 Ca -0.07 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.73 1ygw n ASN 84 Cb 0.48 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.62 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 -0.33 3.50 -0.02 -3.83 -0.21 -1.26 -4.94 119.66 112.57 1ygw s GLN 85 Ca 0.00 -0.43 -0.25 0.00 0.02 0.00 0.00 55.36 54.70 1ygw s GLN 85 Cb 0.00 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1ygw s GLN 85 CO 0.00 0.42 0.76 -0.48 -2.12 0.00 0.00 175.29 173.87 1ygw s LEU 86 N -0.09 4.37 0.08 2.90 2.34 -1.26 -1.28 118.68 125.74 1ygw s LEU 86 Ca 0.04 1.35 -0.15 0.00 0.06 0.00 0.00 54.13 55.42 1ygw s LEU 86 Cb -0.13 -3.20 -0.15 0.00 -0.56 0.00 0.00 46.19 42.16 1ygw s LEU 86 CO 0.02 -0.08 1.31 0.00 -1.06 0.00 0.00 176.35 176.53 1ygw h ALA 87 N 6.34 0.30 0.00 1.48 0.00 4.44 -3.43 119.26 128.39 1ygw h ALA 87 Ca -0.42 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1ygw h ALA 87 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ygw h ALA 87 CO 0.74 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1ygw n GLY 88 N 0.56 -0.80 2.64 0.00 0.00 -1.13 -4.15 105.19 102.31 1ygw n GLY 88 Ca -0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.15 0.60 1.61 1.01 -1.26 -3.74 120.40 114.47 1ygw s VAL 89 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1ygw s VAL 89 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1ygw s VAL 89 CO 0.00 -0.74 0.90 0.27 0.00 0.00 0.00 175.10 175.53 1ygw s ILE 90 N 1.37 3.36 -0.03 2.22 -4.36 0.03 0.58 121.20 124.38 1ygw s ILE 90 Ca 0.17 -0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.14 1ygw s ILE 90 Cb -0.18 -3.34 0.09 0.00 1.25 0.00 0.00 42.46 40.27 1ygw s ILE 90 CO -0.05 -0.34 0.77 0.28 0.24 0.00 0.00 174.94 175.84 1ygw s THR 91 N -2.99 0.00 -1.66 8.37 -1.32 0.11 -0.78 115.64 117.36 1ygw s THR 91 Ca 0.55 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 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 0.44 0.00 0.68 1.41 -2.21 0.00 0.00 174.62 174.94 1ygw n HIS 92 N 0.44 0.00 -1.48 9.09 8.25 -0.95 -2.37 115.22 128.20 1ygw n HIS 92 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.14 1ygw n HIS 92 Cb 0.59 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.30 0.00 -3.43 1.59 -1.04 -1.26 -2.69 114.28 107.16 1ygw n THR 93 Ca 0.00 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.05 61.28 1ygw n THR 93 Cb 0.07 -0.81 -0.05 0.00 -1.82 0.00 0.00 70.33 67.72 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 5.91 -0.22 0.06 3.41 0.00 -1.26 -4.62 105.19 108.46 1ygw n GLY 94 Ca 0.53 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.78 0.99 -0.21 4.61 0.00 -1.09 -4.74 120.51 117.29 1ygw n ALA 95 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ygw n ALA 95 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.74 -0.19 0.00 0.00 2.88 -1.26 -4.70 113.62 108.60 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 0.02 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.08 0.15 0.92 0.46 0.00 -1.26 -4.57 105.19 100.81 1ygw n GLY 97 Ca 0.00 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 2.76 -4.71 1.61 4.05 -1.26 -4.94 115.26 112.76 1ygw n ASN 98 Ca 0.00 -1.89 -0.30 0.00 0.45 0.00 0.00 54.58 52.83 1ygw n ASN 98 Cb 0.00 -0.19 0.13 0.00 1.23 0.00 0.00 39.78 40.95 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 -1.52 3.61 0.39 1.20 6.03 -1.26 -5.02 114.94 118.36 1ygw s ASN 99 Ca 0.36 1.74 0.08 0.00 -1.03 0.00 0.00 52.86 54.01 1ygw s ASN 99 Cb 0.21 -2.39 -0.06 0.00 -3.03 0.00 0.00 41.25 35.98 1ygw s ASN 99 CO 0.29 -2.59 0.12 -0.36 -2.03 0.00 0.00 177.10 172.53 1ygw s PHE 100 N -2.84 2.59 -0.28 1.54 0.08 -1.26 -4.51 117.98 113.30 1ygw s PHE 100 Ca 0.63 -0.55 -0.19 0.00 0.12 0.00 0.00 56.93 56.95 1ygw s PHE 100 Cb -0.19 -1.80 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1ygw s PHE 100 CO 0.57 0.30 0.79 0.14 -0.10 0.00 0.00 175.22 176.92 1ygw s VAL 101 N -2.58 0.00 0.09 -0.44 -7.23 -1.00 -4.87 120.40 104.38 1ygw s VAL 101 Ca 0.39 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.24 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 0.21 0.00 1.82 -1.84 -0.31 0.00 0.00 175.10 174.98 1ygw n GLU 102 N 3.57 2.63 0.00 4.82 0.28 -1.25 0.07 120.64 130.76 1ygw n GLU 102 Ca -0.17 0.96 0.00 0.00 -0.16 0.00 0.00 57.16 57.78 1ygw n GLU 102 Cb 0.57 -2.83 0.00 0.00 1.43 0.00 0.00 31.44 30.61 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97