#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 1.72 0.28 -3.71 0.00 8.00 -1.26 -4.76 116.55 116.83 1ygw n ASP 3 Ca 0.16 -0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1ygw n ASP 3 Cb 0.01 0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 41.52 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ygw s TYR 4 N -0.61 1.93 -0.49 1.24 2.02 -1.24 -4.76 117.35 115.44 1ygw s TYR 4 Ca 0.00 -2.32 -0.15 0.00 -0.37 0.00 0.00 57.07 54.22 1ygw s TYR 4 Cb 0.00 -1.85 0.09 0.00 -0.40 0.00 0.00 41.96 39.80 1ygw s TYR 4 CO 0.00 -0.80 0.42 0.99 -1.57 0.00 0.00 175.55 174.59 1ygw s THR 5 N 0.54 5.20 -1.50 -0.71 2.01 -1.25 -3.00 115.64 116.93 1ygw s THR 5 Ca 0.17 -1.17 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1ygw s THR 5 Cb -0.24 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1ygw s THR 5 CO -0.02 -0.64 2.49 0.00 -0.69 0.00 0.00 174.62 175.75 1ygw n GLY 7 N 3.59 0.73 2.56 0.00 0.00 -1.26 -3.95 105.19 106.86 1ygw n GLY 7 Ca 0.62 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.44 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 1.70 2.80 -2.38 1.61 3.41 -1.26 -5.06 113.62 114.43 1ygw n SER 8 Ca 0.00 -3.25 -0.11 0.00 -0.26 0.00 0.00 58.87 55.24 1ygw n SER 8 Cb 0.00 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.13 -0.62 -2.66 4.04 3.02 -1.25 -4.97 115.26 112.69 1ygw n ASN 9 Ca 0.25 -2.34 -0.03 0.00 -0.03 0.00 0.00 54.58 52.44 1ygw n ASN 9 Cb 0.65 1.29 0.12 0.00 -0.61 0.00 0.00 39.78 41.22 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 2.52 1.38 0.00 -0.85 -1.16 -4.48 117.35 114.80 1ygw s TYR 11 Ca 0.20 -2.19 -0.22 0.00 -0.52 0.00 0.00 57.07 54.35 1ygw s TYR 11 Cb 0.30 -2.13 0.35 0.00 0.38 0.00 0.00 41.96 40.86 1ygw s TYR 11 CO -0.20 -0.89 0.96 0.45 -1.52 0.00 0.00 175.55 174.35 1ygw s SER 12 N 1.34 -0.70 0.48 -0.18 0.15 -1.26 -3.69 113.70 109.83 1ygw s SER 12 Ca 0.08 0.85 0.19 0.00 0.70 0.00 0.00 55.95 57.77 1ygw s SER 12 Cb -0.18 -1.20 1.05 0.00 -1.71 0.00 0.00 66.02 63.98 1ygw s SER 12 CO -0.17 -5.14 1.54 0.77 1.20 0.00 0.00 173.24 171.44 1ygw h SER 13 N -3.27 0.00 0.97 5.45 4.64 -1.92 1.50 113.55 120.92 1ygw h SER 13 Ca -0.44 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ygw h SER 13 CO 0.30 0.00 -1.06 -1.28 -0.87 0.00 0.00 176.83 173.92 1ygw h SER 14 N 0.00 0.00 0.16 4.97 0.87 -1.95 -3.13 113.55 114.46 1ygw h SER 14 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1ygw h SER 14 Cb 0.70 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1ygw h SER 14 CO 0.00 0.94 -1.37 0.44 -0.53 0.00 0.00 176.83 176.31 1ygw h ASP 15 N 0.00 0.52 -0.48 6.23 5.19 0.18 -3.35 116.42 124.71 1ygw h ASP 15 Ca -0.05 -0.90 0.10 0.00 -0.62 0.00 0.00 57.03 55.55 1ygw h ASP 15 Cb 1.76 -0.17 -0.09 0.00 0.18 0.00 0.00 39.33 41.01 1ygw h ASP 15 CO 0.11 1.62 -0.12 0.58 -3.12 0.00 0.00 179.24 178.31 1ygw h VAL 16 N -0.17 0.51 -0.81 -1.35 2.07 -1.09 -0.96 116.25 114.45 1ygw h VAL 16 Ca -0.27 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.38 1ygw h VAL 16 Cb 1.87 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 32.01 1ygw h VAL 16 CO 0.14 0.00 -0.30 -0.24 0.02 0.00 0.00 177.57 177.18 1ygw n SER 17 N -5.35 -0.50 -0.20 0.57 2.88 -1.18 0.12 113.62 109.95 1ygw n SER 17 Ca 0.04 1.41 -0.06 0.00 -1.33 0.00 0.00 58.87 58.94 1ygw n SER 17 Cb 0.26 -0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.16 -0.85 2.46 2.02 -1.34 0.86 112.91 116.23 1ygw h THR 18 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.51 1ygw h THR 18 Cb 0.50 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1ygw h THR 18 CO -0.81 0.00 0.54 0.00 0.37 0.00 0.00 175.52 175.63 1ygw h ALA 19 N 0.93 1.12 0.46 6.16 0.00 0.87 -2.61 119.26 126.18 1ygw h ALA 19 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ygw h ALA 19 Cb 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ygw h ALA 19 CO -0.67 0.37 -0.24 1.96 0.00 0.00 0.00 179.25 180.67 1ygw h GLN 20 N 1.05 -0.63 -0.89 0.00 4.20 0.23 -1.96 115.11 117.11 1ygw h GLN 20 Ca 0.34 0.04 0.35 0.00 0.06 0.00 0.00 58.65 59.44 1ygw h GLN 20 Cb 0.02 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 27.81 1ygw h GLN 20 CO -0.12 -0.42 0.52 0.00 -0.67 0.00 0.00 178.83 178.14 1ygw n ALA 21 N -2.41 0.91 0.03 3.87 0.00 0.26 0.23 120.51 123.40 1ygw n ALA 21 Ca -0.11 0.76 -0.11 0.00 0.00 0.00 0.00 53.44 53.97 1ygw n ALA 21 Cb 0.28 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 1.46 -0.15 -0.86 0.00 0.00 -1.32 -0.45 119.26 117.94 1ygw h ALA 22 Ca 0.68 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.41 1ygw h ALA 22 Cb 1.94 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1ygw h ALA 22 CO -0.52 -0.27 0.52 0.78 0.00 0.00 0.00 179.25 179.76 1ygw h GLY 23 N -0.80 1.31 0.17 0.00 0.00 0.36 0.94 103.07 105.05 1ygw h GLY 23 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ygw h GLY 23 CO 0.03 0.22 -0.08 -1.82 0.00 0.00 0.00 176.54 174.88 1ygw h TYR 24 N 0.92 -0.21 -0.86 5.60 3.20 0.13 0.41 116.97 126.16 1ygw h TYR 24 Ca 0.39 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.40 1ygw h TYR 24 Cb 0.25 0.07 -0.15 0.00 1.54 0.00 0.00 36.73 38.44 1ygw h TYR 24 CO -0.04 -0.13 -0.34 -0.22 -1.64 0.00 0.00 178.16 175.79 1ygw h LYS 25 N -0.34 -0.05 -0.42 1.82 1.63 -1.04 2.03 116.57 120.21 1ygw h LYS 25 Ca -0.02 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1ygw h LYS 25 Cb 0.18 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1ygw h LYS 25 CO 0.04 -0.03 0.11 1.25 -3.45 0.00 0.00 179.45 177.37 1ygw h LEU 26 N -0.05 0.57 -0.19 5.20 5.85 -0.88 -0.94 115.31 124.88 1ygw h LEU 26 Ca 0.33 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1ygw h LEU 26 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1ygw h LEU 26 CO -0.88 0.57 0.01 -0.74 -0.34 0.00 0.00 178.44 177.06 1ygw h HIS 27 N 0.61 0.36 0.00 1.25 2.76 0.71 0.64 115.15 121.48 1ygw h HIS 27 Ca 0.14 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1ygw h HIS 27 Cb 0.22 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1ygw h HIS 27 CO 0.01 0.51 -0.07 0.93 -1.30 0.00 0.00 177.93 178.00 1ygw h GLU 28 N 0.10 0.00 0.00 5.26 5.08 0.25 0.31 114.58 125.59 1ygw h GLU 28 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1ygw h GLU 28 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ygw h GLU 28 CO 0.01 0.07 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.02 1ygw h ASP 29 N 0.00 0.00 -0.33 1.42 5.19 -0.65 -3.48 116.42 118.58 1ygw h ASP 29 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1ygw h ASP 29 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1ygw h ASP 29 CO 0.01 0.21 -0.08 0.61 -3.12 0.00 0.00 179.24 176.87 1ygw n GLY 30 N 1.20 0.49 4.02 2.75 0.00 0.12 -5.04 105.19 108.73 1ygw n GLY 30 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.08 2.40 0.38 1.61 0.41 -0.61 -5.03 118.70 114.79 1ygw s GLU 31 Ca 0.00 -1.60 0.03 0.00 -0.41 0.00 0.00 54.97 52.99 1ygw s GLU 31 Cb 0.00 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1ygw s GLU 31 CO 0.00 -0.72 0.10 0.25 -0.49 0.00 0.00 175.26 174.40 1ygw n THR 32 N -2.12 0.00 -4.04 3.63 -2.24 -1.26 -4.32 114.28 103.93 1ygw n THR 32 Ca 0.13 -2.08 -0.18 0.00 -2.27 0.00 0.00 64.05 59.65 1ygw n THR 32 Cb 0.61 0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.82 0.32 0.00 2.28 -7.23 -0.28 -4.94 120.40 107.73 1ygw s VAL 33 Ca 0.14 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1ygw s VAL 33 Cb 0.01 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.57 1ygw s VAL 33 CO 0.10 0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1ygw n GLY 34 N 3.92 0.15 1.44 2.32 0.00 -1.21 -3.30 105.19 108.51 1ygw n GLY 34 Ca -0.25 -0.92 0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.48 4.25 -1.45 1.61 3.41 -1.18 -4.83 113.62 114.96 1ygw n SER 35 Ca 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1ygw n SER 35 Cb 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 1.06 0.28 -2.15 4.04 4.13 -1.21 -4.94 115.26 116.48 1ygw n ASN 36 Ca 0.23 -0.73 -0.20 0.00 1.68 0.00 0.00 54.58 55.56 1ygw n ASN 36 Cb 0.79 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 39.05 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 -1.97 4.42 -4.89 6.41 3.41 -1.26 -4.47 113.62 115.26 1ygw n SER 37 Ca 0.00 -3.49 -0.34 0.00 -0.26 0.00 0.00 58.87 54.78 1ygw n SER 37 Cb 0.00 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.63 3.56 0.18 7.33 1.51 -1.26 -3.98 117.35 121.05 1ygw s TYR 38 Ca 0.47 0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 57.06 1ygw s TYR 38 Cb 0.40 -1.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1ygw s TYR 38 CO 0.03 0.58 0.20 -0.35 -1.11 0.00 0.00 175.55 174.89 1ygw n PRO 39 N 0.87 -0.78 0.00 -1.71 -0.04 -1.26 -1.13 135.00 130.95 1ygw n PRO 39 Ca -0.09 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1ygw n PRO 39 Cb 0.52 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 -2.59 0.00 -0.87 0.54 1.44 -1.16 -4.96 115.22 107.62 1ygw n HIS 40 Ca 0.03 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 1ygw n HIS 40 Cb 0.09 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.29 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 -0.03 -0.59 -0.13 -1.40 4.81 -1.26 0.04 118.16 119.60 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 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 -3.73 0.00 0.00 5.64 9.36 0.10 -4.04 117.16 124.49 1ygw n TYR 42 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.68 0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ygw n ASN 43 N 0.00 0.00 -4.47 2.98 3.02 -1.26 -4.64 115.26 110.89 1ygw n ASN 43 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1ygw n ASN 43 Cb 0.52 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.81 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 -1.47 0.00 6.41 6.94 -1.26 -4.87 115.26 121.01 1ygw n ASN 44 Ca 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1ygw n ASN 44 Cb 0.00 -1.25 0.00 0.00 -2.36 0.00 0.00 39.78 36.17 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 -3.34 -0.51 0.21 -2.53 4.01 -1.26 -4.91 117.16 108.82 1ygw n TYR 45 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 1ygw n TYR 45 Cb 0.52 0.10 0.29 0.00 -0.31 0.00 0.00 39.34 39.94 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 4.39 -1.94 -3.41 114.58 112.90 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 -1.49 0.58 3.78 -3.84 0.00 -1.26 -5.13 105.19 97.83 1ygw n GLY 47 Ca 0.05 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.28 3.47 -1.15 1.61 0.08 -1.26 -5.02 117.98 115.42 1ygw s PHE 48 Ca 0.00 0.39 -0.08 0.00 0.12 0.00 0.00 56.93 57.36 1ygw s PHE 48 Cb 0.00 -2.09 0.25 0.00 -0.57 0.00 0.00 43.02 40.62 1ygw s PHE 48 CO 0.00 0.44 1.44 -0.25 -0.10 0.00 0.00 175.22 176.75 1ygw n ASP 49 N 3.02 5.73 -4.59 1.36 8.00 -1.26 -4.94 116.55 123.88 1ygw n ASP 49 Ca -0.17 -3.18 -0.43 0.00 0.71 0.00 0.00 54.79 51.72 1ygw n ASP 49 Cb 0.53 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 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 -1.09 2.78 -0.11 1.24 0.08 -1.26 -4.87 117.98 114.75 1ygw s PHE 50 Ca 0.34 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.96 1ygw s PHE 50 Cb 0.00 -4.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.08 1ygw s PHE 50 CO 0.02 -1.32 0.71 -1.13 -0.10 0.00 0.00 175.22 173.40 1ygw n SER 51 N 7.86 2.10 -4.27 1.36 3.41 -1.26 -4.71 113.62 118.10 1ygw n SER 51 Ca 0.10 -1.51 -0.16 0.00 -0.26 0.00 0.00 58.87 57.04 1ygw n SER 51 Cb 0.49 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.11 1.34 0.27 -3.33 -7.23 -1.26 -5.06 120.40 105.24 1ygw s VAL 52 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 1ygw s VAL 52 Cb 0.00 -1.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 1ygw s VAL 52 CO 0.00 -0.62 0.65 -0.44 -0.31 0.00 0.00 175.10 174.38 1ygw s SER 53 N -3.01 6.72 0.99 4.85 0.01 -1.26 -5.05 113.70 116.95 1ygw s SER 53 Ca 0.16 1.12 -0.15 0.00 1.31 0.00 0.00 55.95 58.40 1ygw s SER 53 Cb -0.00 -2.31 0.19 0.00 0.21 0.00 0.00 66.02 64.10 1ygw s SER 53 CO 0.03 -0.13 1.17 -0.94 0.41 0.00 0.00 173.24 173.77 1ygw s SER 54 N -2.28 2.83 0.64 2.44 1.04 -1.26 -4.64 113.70 112.47 1ygw s SER 54 Ca 0.50 0.75 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 1ygw s SER 54 Cb -0.11 -1.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 1ygw s SER 54 CO 0.19 -2.95 1.05 -2.16 0.98 0.00 0.00 173.24 170.35 1ygw s PRO 55 N -5.42 3.17 -0.20 4.02 0.04 -1.26 -4.84 135.00 130.51 1ygw s PRO 55 Ca 0.67 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 55 Cb -0.12 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1ygw s PRO 55 CO 0.54 -0.92 0.26 0.71 0.04 0.00 0.00 177.00 177.63 1ygw s TYR 56 N -2.76 3.39 -0.21 0.56 2.02 -1.24 -3.80 117.35 115.30 1ygw s TYR 56 Ca 0.60 0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 57.71 1ygw s TYR 56 Cb -0.15 -2.35 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 1ygw s TYR 56 CO 0.46 0.13 0.02 0.71 -1.57 0.00 0.00 175.55 175.29 1ygw s TYR 57 N 0.85 3.06 -0.14 2.71 2.02 3.62 0.01 117.35 129.48 1ygw s TYR 57 Ca 0.13 -0.44 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 1ygw s TYR 57 Cb -0.13 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1ygw s TYR 57 CO 0.04 -0.25 0.46 -1.83 -1.57 0.00 0.00 175.55 172.40 1ygw s GLU 58 N 1.11 4.30 -0.00 -0.62 -1.05 0.11 0.21 118.70 122.75 1ygw s GLU 58 Ca 0.03 0.40 -0.06 0.00 -0.15 0.00 0.00 54.97 55.19 1ygw s GLU 58 Cb -0.14 -3.46 0.00 0.00 -0.44 0.00 0.00 34.13 30.09 1ygw s GLU 58 CO 0.02 0.11 0.12 -0.46 0.95 0.00 0.00 175.26 176.00 1ygw s TRP 59 N 0.79 0.03 0.55 4.83 -0.11 0.70 -2.99 118.94 122.74 1ygw s TRP 59 Ca 0.24 -0.09 -0.17 0.00 1.22 0.00 0.00 56.10 57.30 1ygw s TRP 59 Cb -0.15 -0.05 -0.06 0.00 -1.50 0.00 0.00 33.47 31.72 1ygw s TRP 59 CO 0.09 -0.24 1.04 -1.25 -4.62 0.00 0.00 176.95 171.98 1ygw s PRO 60 N -1.15 3.53 -0.20 5.86 0.04 -1.26 0.64 135.00 142.46 1ygw s PRO 60 Ca -0.12 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.16 1ygw s PRO 60 Cb -0.07 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1ygw s PRO 60 CO 0.01 -0.64 -0.11 -1.50 0.04 0.00 0.00 177.00 174.80 1ygw s ILE 61 N -2.32 1.70 -0.21 0.56 2.07 -1.03 -4.49 121.20 117.48 1ygw s ILE 61 Ca 0.64 -1.02 -0.25 0.00 -1.41 0.00 0.00 60.65 58.60 1ygw s ILE 61 Cb -0.16 -1.75 -0.01 0.00 0.13 0.00 0.00 42.46 40.68 1ygw s ILE 61 CO 0.31 0.20 0.86 -0.76 -1.91 0.00 0.00 174.94 173.64 1ygw s LEU 62 N 1.37 4.12 0.00 8.50 1.43 -1.26 -4.65 118.68 128.19 1ygw s LEU 62 Ca -0.01 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 1ygw s LEU 62 Cb -0.16 -3.25 0.08 0.00 0.03 0.00 0.00 46.19 42.88 1ygw s LEU 62 CO -0.08 -0.49 0.95 -1.20 0.23 0.00 0.00 176.35 175.76 1ygw n SER 63 N 5.74 0.00 0.12 2.29 7.64 -1.26 0.31 113.62 128.45 1ygw n SER 63 Ca 0.06 0.37 0.12 0.00 1.01 0.00 0.00 58.87 60.43 1ygw n SER 63 Cb 0.48 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1ygw n SER 63 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ygw h SER 64 N 0.00 0.00 -0.37 6.43 0.02 -2.00 -3.48 113.55 114.15 1ygw h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ygw h SER 64 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 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 1.17 1.00 1.03 -3.77 0.00 0.15 -5.09 105.19 99.69 1ygw n GLY 65 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 0.97 1.72 -4.22 1.61 9.92 -1.26 -5.02 116.55 120.28 1ygw n ASP 66 Ca 0.00 -1.55 -0.37 0.00 -0.53 0.00 0.00 54.79 52.34 1ygw n ASP 66 Cb 0.29 0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.67 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 -0.95 3.53 0.17 2.53 1.01 -1.26 -4.38 120.40 121.06 1ygw s VAL 67 Ca 0.06 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 1ygw s VAL 67 Cb -0.00 -3.08 -0.17 0.00 0.00 0.00 0.00 36.38 33.12 1ygw s VAL 67 CO 0.04 -0.26 0.61 0.00 0.00 0.00 0.00 175.10 175.49 1ygw n TYR 68 N 4.74 -0.30 -2.98 5.22 9.36 -1.26 -4.92 117.16 127.02 1ygw n TYR 68 Ca -0.11 0.98 -0.14 0.00 3.32 0.00 0.00 57.90 61.95 1ygw n TYR 68 Cb 0.44 -1.98 0.02 0.00 -0.63 0.00 0.00 39.34 37.19 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 1.92 -0.68 0.00 2.98 3.41 -1.26 -4.76 113.62 115.23 1ygw n SER 69 Ca 0.18 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 1ygw n SER 69 Cb 0.23 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1ygw n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ygw n GLY 70 N 0.38 3.57 0.00 5.00 0.00 -1.25 -4.01 105.19 108.88 1ygw n GLY 70 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 2.99 -0.02 0.00 -1.26 -3.08 105.19 103.82 1ygw n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.62 5.17 0.00 1.61 1.04 -1.26 -4.90 113.70 112.74 1ygw s SER 72 Ca 0.00 -3.60 -0.02 0.00 0.48 0.00 0.00 55.95 52.81 1ygw s SER 72 Cb 0.00 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 1ygw s SER 72 CO 0.00 -0.16 2.00 -0.81 0.98 0.00 0.00 173.24 175.24 1ygw n PRO 73 N 2.39 1.03 0.00 4.02 -0.04 -1.26 -4.87 135.00 136.27 1ygw n PRO 73 Ca 0.17 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ygw n PRO 73 Cb 0.35 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.99 1.32 0.00 0.55 0.00 -1.26 -3.80 105.19 104.00 1ygw n GLY 74 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 5.24 0.54 -1.73 4.61 0.00 -1.26 -4.80 120.51 123.11 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ygw n ASP 76 N -1.30 3.88 -3.72 0.00 8.00 -1.25 -1.45 116.55 120.71 1ygw n ASP 76 Ca 0.00 1.10 -0.14 0.00 0.71 0.00 0.00 54.79 56.46 1ygw n ASP 76 Cb 0.00 -1.58 -0.09 0.00 -0.02 0.00 0.00 41.12 39.43 1ygw n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ygw s ARG 77 N 0.39 0.61 -0.06 -1.24 1.81 0.73 -2.45 118.95 118.74 1ygw s ARG 77 Ca 0.70 0.22 0.03 0.00 -1.72 0.00 0.00 55.73 54.96 1ygw s ARG 77 Cb -0.51 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 1ygw s ARG 77 CO 0.40 -0.14 -0.12 0.14 -0.68 0.00 0.00 175.30 174.90 1ygw s VAL 78 N -0.57 3.21 -0.07 3.52 -7.23 2.82 -0.38 120.40 121.71 1ygw s VAL 78 Ca -0.07 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 1ygw s VAL 78 Cb -0.04 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1ygw s VAL 78 CO 0.03 0.59 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.57 1ygw s VAL 79 N -0.63 3.04 0.00 1.32 1.01 -1.25 0.25 120.40 124.14 1ygw s VAL 79 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ygw s VAL 79 Cb -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1ygw s VAL 79 CO 0.01 0.58 0.00 2.22 0.00 0.00 0.00 175.10 177.91 1ygw n PHE 80 N 2.58 0.00 -4.02 5.22 -1.74 0.56 0.84 117.46 120.90 1ygw n PHE 80 Ca -0.17 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.69 1ygw n PHE 80 Cb 0.52 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 0.00 -0.10 -0.61 5.98 3.02 -0.48 0.73 115.26 123.80 1ygw n ASN 81 Ca 0.00 -1.29 0.04 0.00 -0.03 0.00 0.00 54.58 53.30 1ygw n ASN 81 Cb 0.00 0.23 0.13 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.09 1.81 -0.03 3.52 4.07 -1.25 -3.27 120.64 125.40 1ygw n GLU 82 Ca 0.01 -1.03 0.04 0.00 -0.06 0.00 0.00 57.16 56.11 1ygw n GLU 82 Cb 0.08 -1.33 -0.14 0.00 -0.06 0.00 0.00 31.44 29.99 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 0.30 0.81 0.00 4.31 6.94 -1.26 -4.98 115.26 121.38 1ygw n ASN 83 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1ygw n ASN 83 Cb 0.31 1.54 0.00 0.00 -2.36 0.00 0.00 39.78 39.27 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 -2.30 0.00 -4.61 0.53 2.04 -1.20 -5.10 115.26 104.62 1ygw n ASN 84 Ca -0.11 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.68 1ygw n ASN 84 Cb 0.66 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.81 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 3.56 -0.01 -3.83 -0.21 -1.26 -4.94 119.66 112.64 1ygw s GLN 85 Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 1ygw s GLN 85 Cb 0.00 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1ygw s GLN 85 CO 0.00 0.41 0.79 -0.48 -2.12 0.00 0.00 175.29 173.89 1ygw s LEU 86 N -0.07 4.38 0.11 2.90 0.05 -1.26 -1.38 118.68 123.42 1ygw s LEU 86 Ca 0.04 1.40 -0.11 0.00 0.05 0.00 0.00 54.13 55.52 1ygw s LEU 86 Cb -0.13 -3.26 -0.14 0.00 -2.05 0.00 0.00 46.19 40.62 1ygw s LEU 86 CO 0.02 -0.10 1.30 0.00 -0.55 0.00 0.00 176.35 177.02 1ygw h ALA 87 N 6.32 0.31 0.00 1.48 0.00 3.44 -3.43 119.26 127.38 1ygw h ALA 87 Ca -0.42 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1ygw h ALA 87 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ygw h ALA 87 CO 0.73 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1ygw n GLY 88 N 0.79 -0.67 2.78 0.00 0.00 -1.13 -4.31 105.19 102.63 1ygw n GLY 88 Ca -0.08 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.83 -0.35 0.62 1.61 1.01 -1.26 -3.82 120.40 115.37 1ygw s VAL 89 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1ygw s VAL 89 Cb 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ygw s VAL 89 CO 0.00 -0.56 0.92 0.27 0.00 0.00 0.00 175.10 175.72 1ygw s ILE 90 N 1.47 3.16 -0.06 2.22 -4.36 0.49 0.55 121.20 124.68 1ygw s ILE 90 Ca 0.17 -0.15 -0.31 0.00 -0.26 0.00 0.00 60.65 60.10 1ygw s ILE 90 Cb -0.15 -3.28 0.08 0.00 1.25 0.00 0.00 42.46 40.36 1ygw s ILE 90 CO -0.04 -0.28 0.71 0.28 0.24 0.00 0.00 174.94 175.85 1ygw s THR 91 N -3.04 0.00 -1.32 8.37 -1.32 0.94 -0.19 115.64 119.08 1ygw s THR 91 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 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 0.44 1.41 -2.21 0.00 0.00 174.62 174.71 1ygw n HIS 92 N 0.87 0.00 0.00 9.09 8.25 -0.53 -2.53 115.22 130.37 1ygw n HIS 92 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1ygw n HIS 92 Cb 0.57 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.05 0.00 -0.43 1.59 -1.04 -1.26 -4.15 114.28 108.93 1ygw n THR 93 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1ygw n THR 93 Cb 0.11 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.00 1.87 0.07 3.41 0.00 -1.26 -4.00 105.19 105.28 1ygw n GLY 94 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 4.65 0.37 -0.68 4.61 0.00 -1.80 -3.47 119.26 122.95 1ygw h ALA 95 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1ygw h ALA 95 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ygw h ALA 95 CO 0.38 1.26 0.00 0.45 0.00 0.00 0.00 179.25 181.33 1ygw n SER 96 N -3.34 -1.65 0.00 0.00 2.88 -1.26 -4.58 113.62 105.68 1ygw n SER 96 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1ygw n SER 96 Cb 0.97 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.64 0.35 1.09 0.46 0.00 -1.26 -4.80 105.19 100.39 1ygw n GLY 97 Ca 0.00 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 3.18 -2.93 1.61 4.05 -1.26 -4.92 115.26 114.98 1ygw n ASN 98 Ca 0.00 -1.97 0.00 0.00 0.45 0.00 0.00 54.58 53.06 1ygw n ASN 98 Cb 0.00 -0.34 0.00 0.00 1.23 0.00 0.00 39.78 40.67 1ygw n ASN 98 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ygw n ASN 99 N 1.26 -0.57 -4.13 1.20 3.02 -1.26 -5.04 115.26 109.74 1ygw n ASN 99 Ca 0.20 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1ygw n ASN 99 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ygw s PHE 100 N -0.57 0.84 -0.28 3.10 0.08 -1.26 -4.58 117.98 115.31 1ygw s PHE 100 Ca 0.00 -1.18 -0.20 0.00 0.12 0.00 0.00 56.93 55.66 1ygw s PHE 100 Cb 0.00 -0.42 0.09 0.00 -0.57 0.00 0.00 43.02 42.12 1ygw s PHE 100 CO 0.00 -0.58 0.79 0.14 -0.10 0.00 0.00 175.22 175.48 1ygw s VAL 101 N -4.05 0.00 0.07 -0.44 -7.23 -1.05 -4.78 120.40 102.92 1ygw s VAL 101 Ca 0.26 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.09 1ygw s VAL 101 Cb 0.07 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.88 1ygw s VAL 101 CO 0.03 0.00 1.74 -0.62 -0.31 0.00 0.00 175.10 175.94 1ygw n GLU 102 N 3.35 2.33 0.00 4.82 1.02 -1.25 -0.04 120.64 130.87 1ygw n GLU 102 Ca -0.17 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1ygw n GLU 102 Cb 0.57 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31