#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 1.42 0.12 -3.57 0.00 9.92 -1.26 -4.76 116.55 118.42 1ygw n ASP 3 Ca 0.17 -0.43 -0.28 0.00 -0.53 0.00 0.00 54.79 53.72 1ygw n ASP 3 Cb 0.05 0.41 -0.11 0.00 -0.64 0.00 0.00 41.12 40.83 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 -0.41 1.69 -0.53 1.24 2.02 -1.25 -4.76 117.35 115.35 1ygw s TYR 4 Ca 0.00 -2.42 -0.20 0.00 -0.37 0.00 0.00 57.07 54.09 1ygw s TYR 4 Cb 0.00 -1.47 0.06 0.00 -0.40 0.00 0.00 41.96 40.16 1ygw s TYR 4 CO 0.00 -0.77 0.68 0.99 -1.57 0.00 0.00 175.55 174.89 1ygw s THR 5 N 0.02 4.79 -1.54 -0.71 2.01 -1.25 -3.29 115.64 115.68 1ygw s THR 5 Ca 0.25 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1ygw s THR 5 Cb -0.09 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1ygw s THR 5 CO -0.11 -0.92 2.68 0.00 -0.69 0.00 0.00 174.62 175.58 1ygw n GLY 7 N 3.53 0.78 2.57 0.00 0.00 -1.26 -3.94 105.19 106.88 1ygw n GLY 7 Ca 0.69 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.53 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 1.74 2.77 -2.27 1.61 3.41 -1.26 -5.07 113.62 114.55 1ygw n SER 8 Ca 0.00 -3.16 -0.11 0.00 -0.26 0.00 0.00 58.87 55.34 1ygw n SER 8 Cb 0.00 -0.51 -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 -0.20 -0.47 -2.66 4.04 3.02 -1.25 -4.95 115.26 112.78 1ygw n ASN 9 Ca 0.22 -2.24 -0.03 0.00 -0.03 0.00 0.00 54.58 52.50 1ygw n ASN 9 Cb 0.72 1.05 0.11 0.00 -0.61 0.00 0.00 39.78 41.05 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.06 2.29 1.37 0.00 -0.85 -1.21 -4.50 117.35 114.51 1ygw s TYR 11 Ca 0.21 -2.25 -0.23 0.00 -0.52 0.00 0.00 57.07 54.28 1ygw s TYR 11 Cb 0.28 -2.07 0.35 0.00 0.38 0.00 0.00 41.96 40.90 1ygw s TYR 11 CO -0.18 -0.86 1.00 0.45 -1.52 0.00 0.00 175.55 174.43 1ygw s SER 12 N 1.06 -0.57 0.49 -0.18 0.15 -1.26 -3.83 113.70 109.56 1ygw s SER 12 Ca 0.12 0.68 0.18 0.00 0.70 0.00 0.00 55.95 57.64 1ygw s SER 12 Cb -0.20 -0.93 1.00 0.00 -1.71 0.00 0.00 66.02 64.18 1ygw s SER 12 CO -0.14 -5.04 1.50 0.77 1.20 0.00 0.00 173.24 171.53 1ygw h SER 13 N -3.20 0.00 0.91 5.45 4.64 -1.92 1.64 113.55 121.07 1ygw h SER 13 Ca -0.42 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.68 1ygw h SER 13 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1ygw h SER 13 CO 0.27 0.00 -1.12 -1.28 -0.87 0.00 0.00 176.83 173.83 1ygw h SER 14 N 0.00 0.00 0.16 4.97 0.87 -1.94 -3.08 113.55 114.53 1ygw h SER 14 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1ygw h SER 14 Cb 0.77 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1ygw h SER 14 CO 0.00 0.99 -1.24 0.44 -0.53 0.00 0.00 176.83 176.49 1ygw h ASP 15 N 0.00 0.53 -0.31 6.23 5.19 0.21 -3.34 116.42 124.93 1ygw h ASP 15 Ca -0.06 -0.91 0.07 0.00 -0.62 0.00 0.00 57.03 55.50 1ygw h ASP 15 Cb 1.81 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 41.07 1ygw h ASP 15 CO 0.12 1.57 -0.16 0.58 -3.12 0.00 0.00 179.24 178.23 1ygw h VAL 16 N -0.20 0.52 -0.77 -1.35 2.07 -1.12 -1.71 116.25 113.70 1ygw h VAL 16 Ca -0.24 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1ygw h VAL 16 Cb 1.83 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 32.01 1ygw h VAL 16 CO 0.15 0.00 -0.33 -0.24 0.02 0.00 0.00 177.57 177.17 1ygw n SER 17 N -5.33 -0.57 -0.17 0.57 2.88 -1.16 0.18 113.62 110.02 1ygw n SER 17 Ca 0.00 1.34 -0.03 0.00 -1.33 0.00 0.00 58.87 58.86 1ygw n SER 17 Cb 0.25 -0.28 0.04 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.42 -0.71 2.46 2.02 -1.46 0.91 112.91 116.55 1ygw h THR 18 Ca 0.24 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 1ygw h THR 18 Cb 0.43 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1ygw h THR 18 CO -0.75 0.00 0.33 0.00 0.37 0.00 0.00 175.52 175.46 1ygw h ALA 19 N 1.43 0.91 0.61 6.16 0.00 0.19 -2.99 119.26 125.57 1ygw h ALA 19 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ygw h ALA 19 Cb 0.42 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ygw h ALA 19 CO -0.56 0.49 -0.29 1.96 0.00 0.00 0.00 179.25 180.85 1ygw h GLN 20 N 0.99 -0.78 -1.32 0.00 4.20 0.29 -1.92 115.11 116.56 1ygw h GLN 20 Ca 0.24 0.05 0.44 0.00 0.06 0.00 0.00 58.65 59.44 1ygw h GLN 20 Cb 0.14 0.18 -0.11 0.00 0.30 0.00 0.00 27.48 27.99 1ygw h GLN 20 CO -0.03 -0.52 0.88 0.00 -0.67 0.00 0.00 178.83 178.49 1ygw n ALA 21 N -2.44 1.30 0.09 3.87 0.00 0.29 0.19 120.51 123.81 1ygw n ALA 21 Ca -0.13 0.72 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 1ygw n ALA 21 Cb 0.33 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 1.28 -0.31 -0.83 0.00 0.00 -1.31 0.71 119.26 118.80 1ygw h ALA 22 Ca 0.78 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.57 1ygw h ALA 22 Cb 2.67 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 20.51 1ygw h ALA 22 CO -0.32 -0.37 0.50 0.78 0.00 0.00 0.00 179.25 179.84 1ygw h GLY 23 N -0.92 1.27 0.52 0.00 0.00 0.25 -1.63 103.07 102.57 1ygw h GLY 23 Ca -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1ygw h GLY 23 CO 0.05 0.20 -0.25 -1.82 0.00 0.00 0.00 176.54 174.72 1ygw h TYR 24 N 0.87 -0.65 -0.89 5.60 5.03 0.48 0.68 116.97 128.09 1ygw h TYR 24 Ca 0.38 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.76 1ygw h TYR 24 Cb 0.26 0.22 -0.11 0.00 1.55 0.00 0.00 36.73 38.65 1ygw h TYR 24 CO -0.05 -0.41 -0.52 1.17 -1.32 0.00 0.00 178.16 177.03 1ygw n LYS 25 N -4.74 -0.39 0.07 1.82 3.00 0.24 0.29 118.16 118.45 1ygw n LYS 25 Ca -0.09 1.39 0.06 0.00 -0.00 0.00 0.00 58.31 59.67 1ygw n LYS 25 Cb 0.28 -2.05 0.49 0.00 0.00 0.00 0.00 35.03 33.75 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 0.33 0.19 3.14 5.85 -1.37 -1.05 115.31 122.41 1ygw h LEU 26 Ca 0.14 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ygw h LEU 26 Cb 0.36 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ygw h LEU 26 CO -0.83 0.24 -0.09 -0.74 -0.34 0.00 0.00 178.44 176.67 1ygw h HIS 27 N 0.39 -0.24 -0.31 1.25 2.76 0.63 0.57 115.15 120.19 1ygw h HIS 27 Ca 0.11 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 1ygw h HIS 27 Cb -0.01 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1ygw h HIS 27 CO -0.00 0.11 0.29 1.05 -1.30 0.00 0.00 177.93 178.08 1ygw h GLU 28 N -0.64 0.00 0.00 5.26 4.11 0.49 0.84 114.58 124.64 1ygw h GLU 28 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ygw h GLU 28 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ygw h GLU 28 CO 0.04 0.00 -0.70 -0.44 0.07 0.00 0.00 179.01 177.98 1ygw h ASP 29 N 0.00 0.00 -0.22 3.06 5.19 -0.93 -3.48 116.42 120.04 1ygw h ASP 29 Ca 0.15 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 1ygw h ASP 29 Cb 0.72 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 1ygw h ASP 29 CO -0.00 0.06 -0.07 0.61 -3.12 0.00 0.00 179.24 176.72 1ygw n GLY 30 N 1.26 0.56 4.02 2.75 0.00 0.29 -5.03 105.19 109.03 1ygw n GLY 30 Ca 0.02 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.66 2.37 0.34 1.61 0.41 0.17 -4.99 118.70 115.95 1ygw s GLU 31 Ca 0.00 -1.40 0.03 0.00 -0.41 0.00 0.00 54.97 53.20 1ygw s GLU 31 Cb 0.00 -2.62 -0.05 0.00 -1.78 0.00 0.00 34.13 29.68 1ygw s GLU 31 CO 0.00 -0.78 0.08 0.95 -0.49 0.00 0.00 175.26 175.02 1ygw s THR 32 N -2.66 0.96 -0.05 3.63 -4.23 -1.26 -4.40 115.64 107.62 1ygw s THR 32 Ca 0.60 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1ygw s THR 32 Cb -0.07 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1ygw s THR 32 CO 0.38 0.00 -0.17 0.68 -0.54 0.00 0.00 174.62 174.97 1ygw s VAL 33 N -3.34 1.47 0.00 2.29 -7.23 0.92 -4.96 120.40 109.54 1ygw s VAL 33 Ca 0.34 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1ygw s VAL 33 Cb 0.07 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1ygw s VAL 33 CO 0.15 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1ygw n GLY 34 N 3.24 -0.53 0.05 2.32 0.00 0.11 -3.34 105.19 107.03 1ygw n GLY 34 Ca -0.19 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.25 0.64 -3.06 1.61 2.88 -1.26 -4.90 113.62 109.27 1ygw n SER 35 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ygw n SER 35 Cb 0.00 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -2.04 0.00 -2.70 -3.46 3.02 -1.25 -5.01 115.26 103.83 1ygw n ASN 36 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 1ygw n ASN 36 Cb 0.44 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 3.15 -4.76 6.41 3.41 -1.26 -4.64 113.62 115.93 1ygw n SER 37 Ca 0.00 -3.30 -0.34 0.00 -0.26 0.00 0.00 58.87 54.96 1ygw n SER 37 Cb 0.00 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 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 -3.26 3.29 0.00 7.33 1.51 -1.26 -3.88 117.35 121.08 1ygw s TYR 38 Ca 0.40 0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 1ygw s TYR 38 Cb 0.39 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1ygw s TYR 38 CO -0.09 0.55 0.00 -0.35 -1.11 0.00 0.00 175.55 174.55 1ygw n PRO 39 N 1.61 -0.06 -3.61 -1.71 -0.04 -1.26 -0.06 135.00 129.87 1ygw n PRO 39 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ygw n PRO 39 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.70 -0.01 0.78 0.54 -3.43 -1.15 -4.96 115.29 106.35 1ygw s HIS 40 Ca 0.00 0.00 -0.16 0.00 -0.80 0.00 0.00 55.06 54.11 1ygw s HIS 40 Cb 0.00 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1ygw s HIS 40 CO 0.00 -0.03 0.34 1.17 -2.00 0.00 0.00 174.74 174.21 1ygw n LYS 41 N -0.20 0.14 0.00 -0.38 0.00 -1.26 -0.27 118.16 116.18 1ygw n LYS 41 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1ygw n LYS 41 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.92 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 -2.56 0.00 0.00 5.64 4.19 0.33 -4.46 117.16 120.30 1ygw n TYR 42 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 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 -0.90 0.00 0.00 2.98 5.03 -1.01 -4.76 115.26 116.60 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 4.98 0.00 0.00 6.41 6.94 -1.26 -4.79 115.26 127.54 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 -1.33 0.00 0.28 -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 0.32 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.33 0.69 3.76 -3.84 0.00 -1.26 -5.10 105.19 98.11 1ygw n GLY 47 Ca -0.01 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.51 3.42 -1.17 1.61 0.08 -1.26 -5.00 117.98 115.14 1ygw s PHE 48 Ca 0.00 0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.33 1ygw s PHE 48 Cb 0.00 -2.02 0.24 0.00 -0.57 0.00 0.00 43.02 40.66 1ygw s PHE 48 CO 0.00 0.44 1.82 -0.25 -0.10 0.00 0.00 175.22 177.13 1ygw n ASP 49 N 2.82 6.49 -4.56 1.36 8.00 -1.26 -4.89 116.55 124.51 1ygw n ASP 49 Ca -0.18 -3.33 -0.33 0.00 0.71 0.00 0.00 54.79 51.66 1ygw n ASP 49 Cb 0.53 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.27 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 -1.88 1.75 -0.02 1.24 0.08 -1.26 -4.79 117.98 113.10 1ygw s PHE 50 Ca 0.39 0.67 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1ygw s PHE 50 Cb 0.11 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 1ygw s PHE 50 CO 0.00 -2.03 0.60 -1.13 -0.10 0.00 0.00 175.22 172.57 1ygw n SER 51 N 13.24 1.79 -4.44 1.36 3.41 -1.26 -4.70 113.62 123.02 1ygw n SER 51 Ca 0.30 -1.21 -0.23 0.00 -0.26 0.00 0.00 58.87 57.47 1ygw n SER 51 Cb 0.49 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.36 2.28 0.03 -3.33 -7.23 -1.26 -5.09 120.40 106.16 1ygw s VAL 52 Ca 0.00 -2.35 -0.19 0.00 -1.81 0.00 0.00 61.98 57.63 1ygw s VAL 52 Cb 0.00 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 1ygw s VAL 52 CO 0.00 -0.44 0.56 -0.55 -0.31 0.00 0.00 175.10 174.36 1ygw s SER 53 N -3.47 6.99 1.12 4.85 0.15 -1.26 -5.05 113.70 117.04 1ygw s SER 53 Ca 0.28 1.17 -0.13 0.00 0.70 0.00 0.00 55.95 57.98 1ygw s SER 53 Cb -0.04 -2.35 0.26 0.00 -1.71 0.00 0.00 66.02 62.18 1ygw s SER 53 CO 0.13 0.20 1.05 -0.94 1.20 0.00 0.00 173.24 174.88 1ygw s SER 54 N -0.66 1.44 0.68 5.45 1.04 -1.26 -4.66 113.70 115.72 1ygw s SER 54 Ca 0.29 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.93 1ygw s SER 54 Cb -0.19 -2.06 -0.00 0.00 0.10 0.00 0.00 66.02 63.87 1ygw s SER 54 CO 0.17 -3.89 1.06 -2.16 0.98 0.00 0.00 173.24 169.40 1ygw s PRO 55 N -4.68 3.02 -0.32 4.02 0.04 -1.26 -4.81 135.00 131.02 1ygw s PRO 55 Ca 0.67 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1ygw s PRO 55 Cb -0.22 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1ygw s PRO 55 CO 0.62 -1.04 0.22 0.71 0.04 0.00 0.00 177.00 177.55 1ygw s TYR 56 N -2.94 3.23 -0.17 0.56 2.02 -1.25 -3.76 117.35 115.04 1ygw s TYR 56 Ca 0.59 -0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 57.10 1ygw s TYR 56 Cb -0.14 -2.44 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1ygw s TYR 56 CO 0.52 -0.28 0.18 0.71 -1.57 0.00 0.00 175.55 175.11 1ygw s TYR 57 N 1.74 3.45 -0.19 2.71 2.02 4.77 0.12 117.35 131.98 1ygw s TYR 57 Ca 0.07 0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 57.12 1ygw s TYR 57 Cb -0.17 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1ygw s TYR 57 CO 0.11 0.34 0.10 -1.83 -1.57 0.00 0.00 175.55 172.69 1ygw s GLU 58 N 0.19 4.08 0.01 -0.62 -1.05 0.62 0.35 118.70 122.29 1ygw s GLU 58 Ca 0.12 -0.27 -0.01 0.00 -0.15 0.00 0.00 54.97 54.65 1ygw s GLU 58 Cb -0.12 -3.32 -0.01 0.00 -0.44 0.00 0.00 34.13 30.24 1ygw s GLU 58 CO 0.01 0.30 0.01 -0.46 0.95 0.00 0.00 175.26 176.07 1ygw s TRP 59 N 0.33 0.12 0.25 4.83 -0.11 0.46 -2.94 118.94 121.89 1ygw s TRP 59 Ca 0.06 -0.25 -0.30 0.00 1.22 0.00 0.00 56.10 56.84 1ygw s TRP 59 Cb -0.12 -0.09 -0.09 0.00 -1.50 0.00 0.00 33.47 31.67 1ygw s TRP 59 CO -0.01 -0.12 1.09 -1.25 -4.62 0.00 0.00 176.95 172.03 1ygw s PRO 60 N -0.84 4.64 -0.28 5.86 0.04 -1.26 0.57 135.00 143.73 1ygw s PRO 60 Ca -0.09 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1ygw s PRO 60 Cb -0.06 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1ygw s PRO 60 CO -0.00 0.20 0.01 -1.50 0.04 0.00 0.00 177.00 175.75 1ygw s ILE 61 N -0.95 3.30 -0.13 0.56 2.07 -0.50 -4.53 121.20 121.03 1ygw s ILE 61 Ca 0.45 -1.01 -0.27 0.00 -1.41 0.00 0.00 60.65 58.41 1ygw s ILE 61 Cb -0.31 -2.75 -0.02 0.00 0.13 0.00 0.00 42.46 39.51 1ygw s ILE 61 CO 0.39 0.06 0.89 -0.76 -1.91 0.00 0.00 174.94 173.61 1ygw s LEU 62 N 1.37 4.22 0.65 8.50 1.43 -1.26 -4.58 118.68 129.00 1ygw s LEU 62 Ca -0.00 1.32 0.31 0.00 -1.03 0.00 0.00 54.13 54.72 1ygw s LEU 62 Cb -0.18 -3.35 1.66 0.00 0.03 0.00 0.00 46.19 44.35 1ygw s LEU 62 CO -0.01 -0.39 1.96 0.77 0.23 0.00 0.00 176.35 178.91 1ygw h SER 63 N 7.18 0.00 1.32 2.29 4.64 -1.93 1.44 113.55 128.50 1ygw h SER 63 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 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 0.84 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 177.08 1ygw h SER 64 N 0.00 0.00 -0.45 4.97 0.02 -1.99 -3.47 113.55 112.64 1ygw h SER 64 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1ygw h SER 64 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 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 0.87 0.64 3.20 -3.77 0.00 0.49 -5.07 105.19 101.56 1ygw n GLY 65 Ca 0.04 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 1.76 2.46 -4.32 1.61 9.92 -1.25 -4.92 116.55 121.81 1ygw n ASP 66 Ca 0.00 -2.58 -0.43 0.00 -0.53 0.00 0.00 54.79 51.24 1ygw n ASP 66 Cb 0.50 -0.04 -0.08 0.00 -0.64 0.00 0.00 41.12 40.86 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 -2.29 4.87 0.36 2.53 1.01 -1.26 -4.23 120.40 121.40 1ygw s VAL 67 Ca 0.27 -1.34 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 1ygw s VAL 67 Cb -0.02 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 1ygw s VAL 67 CO 0.17 -0.66 0.36 0.00 0.00 0.00 0.00 175.10 174.97 1ygw n TYR 68 N 5.11 -1.14 -0.95 5.22 9.36 -1.26 -4.84 117.16 128.66 1ygw n TYR 68 Ca -0.12 0.69 -0.14 0.00 3.32 0.00 0.00 57.90 61.66 1ygw n TYR 68 Cb 0.42 -1.90 0.22 0.00 -0.63 0.00 0.00 39.34 37.45 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 1.90 4.15 -0.93 2.98 3.41 -1.26 -4.81 113.62 119.06 1ygw n SER 69 Ca 0.13 -3.30 0.09 0.00 -0.26 0.00 0.00 58.87 55.53 1ygw n SER 69 Cb 0.36 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -0.57 -3.20 0.00 5.00 0.00 -1.21 0.04 105.19 105.25 1ygw n GLY 70 Ca 0.47 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.28 0.49 2.65 -0.02 0.00 -1.26 -4.54 105.19 99.23 1ygw n GLY 71 Ca -0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 3.83 0.00 1.61 2.88 -1.26 -4.84 113.62 115.84 1ygw n SER 72 Ca 0.00 -3.36 0.06 0.00 -1.33 0.00 0.00 58.87 54.24 1ygw n SER 72 Cb 0.00 -0.77 0.35 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.28 0.75 -0.85 -1.46 -0.04 -1.26 -4.88 135.00 128.54 1ygw n PRO 73 Ca 0.26 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.34 1ygw n PRO 73 Cb 0.38 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.37 -0.04 0.00 0.55 0.00 -1.26 -2.57 105.19 102.24 1ygw n GLY 74 Ca 0.09 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 4.13 0.00 -3.81 4.61 0.00 -1.26 -4.74 120.51 119.44 1ygw n ALA 75 Ca 0.31 0.00 -0.25 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 1.95 -0.11 0.00 1.01 -1.06 -1.79 116.67 116.68 1ygw s ASP 76 Ca 0.00 -0.26 -0.10 0.00 0.71 0.00 0.00 52.55 52.91 1ygw s ASP 76 Cb 0.00 -0.75 0.03 0.00 1.01 0.00 0.00 42.92 43.21 1ygw s ASP 76 CO 0.00 -0.11 0.29 -0.13 0.21 0.00 0.00 175.17 175.43 1ygw s ARG 77 N 1.57 0.33 -0.14 8.23 1.81 -0.68 -1.40 118.95 128.66 1ygw s ARG 77 Ca 0.01 0.42 -0.02 0.00 -1.72 0.00 0.00 55.73 54.42 1ygw s ARG 77 Cb -0.13 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1ygw s ARG 77 CO -0.06 -0.05 -0.06 0.14 -0.68 0.00 0.00 175.30 174.59 1ygw s VAL 78 N 0.24 3.70 -0.12 3.52 -7.23 2.31 -1.25 120.40 121.57 1ygw s VAL 78 Ca -0.01 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.69 1ygw s VAL 78 Cb -0.03 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1ygw s VAL 78 CO -0.00 0.51 0.03 -0.69 -0.31 0.00 0.00 175.10 174.64 1ygw s VAL 79 N 0.21 4.53 0.00 1.32 1.01 -1.25 0.18 120.40 126.39 1ygw s VAL 79 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ygw s VAL 79 Cb -0.14 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1ygw s VAL 79 CO 0.03 0.57 0.00 2.22 0.00 0.00 0.00 175.10 177.92 1ygw n PHE 80 N 2.55 -0.22 -3.86 5.22 -1.74 1.10 0.81 117.46 121.31 1ygw n PHE 80 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ygw n PHE 80 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 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 -1.18 0.65 -1.44 5.98 3.02 -1.25 0.84 115.26 121.89 1ygw n ASN 81 Ca 0.00 -0.86 -0.07 0.00 -0.03 0.00 0.00 54.58 53.62 1ygw n ASN 81 Cb 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.92 -0.03 3.52 4.07 -1.25 -3.45 120.64 125.42 1ygw n GLU 82 Ca 0.00 -1.39 -0.01 0.00 -0.06 0.00 0.00 57.16 55.69 1ygw n GLU 82 Cb 0.00 -1.63 -0.06 0.00 -0.06 0.00 0.00 31.44 29.69 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 -0.10 3.17 0.00 4.31 6.94 -1.26 -5.01 115.26 123.31 1ygw n ASN 83 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 1ygw n ASN 83 Cb 0.94 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 39.23 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 -2.14 0.00 -3.05 0.53 2.04 -1.22 -5.11 115.26 106.31 1ygw n ASN 84 Ca -0.09 0.00 -0.07 0.00 -0.44 0.00 0.00 54.58 53.98 1ygw n ASN 84 Cb 0.59 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.87 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ygw n GLN 85 N -1.23 0.77 -4.20 -3.83 6.02 -1.26 -4.99 117.38 108.66 1ygw n GLN 85 Ca 0.00 -1.11 -0.22 0.00 -0.01 0.00 0.00 57.00 55.66 1ygw n GLN 85 Cb 0.00 -0.11 -0.17 0.00 1.02 0.00 0.00 30.24 30.98 1ygw n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ygw s LEU 86 N 0.00 1.33 0.18 1.08 1.98 -1.26 -3.92 118.68 118.07 1ygw s LEU 86 Ca 0.23 -0.17 -0.04 0.00 -2.89 0.00 0.00 54.13 51.25 1ygw s LEU 86 Cb -0.02 -0.56 0.07 0.00 0.66 0.00 0.00 46.19 46.34 1ygw s LEU 86 CO 0.14 -0.05 1.46 0.00 -1.89 0.00 0.00 176.35 176.02 1ygw h ALA 87 N 7.30 0.63 0.00 5.97 0.00 3.16 -3.45 119.26 132.86 1ygw h ALA 87 Ca -0.34 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ygw h ALA 87 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ygw h ALA 87 CO 0.45 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1ygw n GLY 88 N 0.37 -0.66 2.74 0.00 0.00 -1.18 -4.31 105.19 102.16 1ygw n GLY 88 Ca -0.04 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.29 0.65 1.61 1.01 -1.26 -3.91 120.40 114.21 1ygw s VAL 89 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1ygw s VAL 89 Cb 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1ygw s VAL 89 CO 0.00 -0.62 0.99 0.27 0.00 0.00 0.00 175.10 175.74 1ygw s ILE 90 N 1.35 3.40 -0.03 2.22 -4.36 -0.38 0.61 121.20 124.01 1ygw s ILE 90 Ca 0.18 0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.42 1ygw s ILE 90 Cb -0.16 -3.40 0.09 0.00 1.25 0.00 0.00 42.46 40.24 1ygw s ILE 90 CO -0.02 -0.46 0.79 0.28 0.24 0.00 0.00 174.94 175.76 1ygw s THR 91 N -3.17 0.00 -1.37 8.37 -1.32 0.16 -1.69 115.64 116.61 1ygw s THR 91 Ca 0.56 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.33 1ygw s THR 91 Cb -0.11 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.34 1ygw s THR 91 CO 0.48 0.00 1.97 1.41 -2.21 0.00 0.00 174.62 176.26 1ygw n HIS 92 N 0.41 0.00 -1.06 9.09 8.25 -0.74 -2.19 115.22 128.97 1ygw n HIS 92 Ca -0.14 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.12 1ygw n HIS 92 Cb 0.60 -0.32 -0.15 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.32 0.00 -3.80 1.59 -1.04 -1.26 0.64 114.28 109.10 1ygw n THR 93 Ca 0.13 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 1ygw n THR 93 Cb 0.24 -0.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 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 4.10 -0.39 0.18 3.41 0.00 -1.26 -4.67 105.19 106.57 1ygw n GLY 94 Ca 0.48 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.66 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 95 N 1.00 1.04 -0.18 4.61 0.00 -0.03 -3.44 119.26 122.25 1ygw h ALA 95 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ygw h ALA 95 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ygw h ALA 95 CO 0.62 -0.04 0.00 0.45 0.00 0.00 0.00 179.25 180.28 1ygw n SER 96 N -2.33 -0.31 0.00 0.00 2.88 -1.26 -4.67 113.62 107.94 1ygw n SER 96 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ygw n SER 96 Cb 0.09 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.09 0.17 0.90 0.46 0.00 -1.26 -4.59 105.19 100.78 1ygw n GLY 97 Ca 0.00 -1.46 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 2.69 -4.78 1.61 4.05 -1.26 -4.94 115.26 112.64 1ygw n ASN 98 Ca 0.00 -1.89 -0.31 0.00 0.45 0.00 0.00 54.58 52.82 1ygw n ASN 98 Cb 0.00 -0.21 0.08 0.00 1.23 0.00 0.00 39.78 40.88 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 -1.45 4.74 0.34 1.20 6.03 -1.26 -5.03 114.94 119.50 1ygw s ASN 99 Ca 0.36 1.83 0.08 0.00 -1.03 0.00 0.00 52.86 54.10 1ygw s ASN 99 Cb 0.20 -2.52 -0.04 0.00 -3.03 0.00 0.00 41.25 35.85 1ygw s ASN 99 CO 0.28 -1.87 0.11 -0.36 -2.03 0.00 0.00 177.10 173.23 1ygw s PHE 100 N -2.80 2.68 -0.28 1.54 0.08 -1.26 -4.52 117.98 113.42 1ygw s PHE 100 Ca 0.62 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 57.09 1ygw s PHE 100 Cb -0.17 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1ygw s PHE 100 CO 0.53 0.38 0.76 0.14 -0.10 0.00 0.00 175.22 176.92 1ygw s VAL 101 N -2.44 0.00 0.05 -0.44 -7.23 -0.93 -4.86 120.40 104.55 1ygw s VAL 101 Ca 0.37 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.21 1ygw s VAL 101 Cb -0.02 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.80 1ygw s VAL 101 CO 0.22 0.00 1.78 -1.84 -0.31 0.00 0.00 175.10 174.95 1ygw n GLU 102 N 3.56 2.35 0.00 4.82 0.28 -1.25 0.38 120.64 130.78 1ygw n GLU 102 Ca -0.17 0.86 0.00 0.00 -0.16 0.00 0.00 57.16 57.68 1ygw n GLU 102 Cb 0.57 -2.70 0.00 0.00 1.43 0.00 0.00 31.44 30.75 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97