#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw h ASP 3 N 3.35 0.00 -3.16 0.00 5.19 -1.89 -3.26 116.42 116.66 1ygw h ASP 3 Ca 0.20 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 56.18 1ygw h ASP 3 Cb 0.50 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.61 1ygw h ASP 3 CO 0.88 0.00 -0.75 -0.31 -3.12 0.00 0.00 179.24 175.95 1ygw s TYR 4 N -4.68 0.18 -0.29 4.55 2.02 -1.25 -4.79 117.35 113.09 1ygw s TYR 4 Ca -0.04 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1ygw s TYR 4 Cb 0.21 -0.62 0.08 0.00 -0.40 0.00 0.00 41.96 41.23 1ygw s TYR 4 CO 0.71 -0.39 -0.01 0.99 -1.57 0.00 0.00 175.55 175.28 1ygw s THR 5 N 2.14 1.87 -1.53 -0.71 2.01 -0.97 0.01 115.64 118.45 1ygw s THR 5 Ca 0.03 -1.76 -0.11 0.00 0.31 0.00 0.00 61.69 60.16 1ygw s THR 5 Cb -0.14 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1ygw s THR 5 CO -0.07 -0.35 2.70 0.00 -0.69 0.00 0.00 174.62 176.21 1ygw n GLY 7 N 3.75 1.86 2.69 0.00 0.00 -1.26 -4.22 105.19 108.02 1ygw n GLY 7 Ca 0.69 -0.20 -0.07 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 2.69 -0.67 -1.19 1.61 3.41 -1.26 -5.12 113.62 113.09 1ygw n SER 8 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1ygw n SER 8 Cb 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.50 1.50 -2.69 4.04 3.02 -1.26 -5.11 115.26 114.25 1ygw n ASN 9 Ca 0.00 -0.68 -0.04 0.00 -0.03 0.00 0.00 54.58 53.83 1ygw n ASN 9 Cb 0.84 0.00 0.04 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 2.25 1.71 -0.58 0.00 4.01 0.10 -4.87 117.16 119.78 1ygw n TYR 11 Ca 0.09 -2.09 -0.19 0.00 -0.16 0.00 0.00 57.90 55.56 1ygw n TYR 11 Cb 0.65 -1.48 0.01 0.00 -0.31 0.00 0.00 39.34 38.21 1ygw n TYR 11 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ygw n SER 12 N 1.12 -2.02 0.11 7.72 2.88 -1.26 -2.87 113.62 119.30 1ygw n SER 12 Ca 0.51 0.27 0.10 0.00 -1.33 0.00 0.00 58.87 58.43 1ygw n SER 12 Cb 0.51 -0.41 0.16 0.00 -0.75 0.00 0.00 64.21 63.73 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ygw n SER 13 N 1.32 0.00 0.11 -3.46 3.41 -1.26 0.63 113.62 114.36 1ygw n SER 13 Ca 0.03 0.57 0.02 0.00 -0.26 0.00 0.00 58.87 59.23 1ygw n SER 13 Cb 0.24 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.35 4.04 0.87 -1.97 -2.87 113.55 114.97 1ygw h SER 14 Ca 0.18 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1ygw h SER 14 Cb 2.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.21 1ygw h SER 14 CO -0.00 0.53 -0.67 0.44 -0.53 0.00 0.00 176.83 176.59 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.87 -3.23 116.42 126.49 1ygw h ASP 15 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1ygw h ASP 15 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1ygw h ASP 15 CO 0.06 0.27 0.00 0.52 -3.12 0.00 0.00 179.24 176.97 1ygw n VAL 16 N -3.00 0.00 -0.30 -1.35 0.31 -0.47 -3.24 118.33 110.28 1ygw n VAL 16 Ca -0.00 0.65 0.14 0.00 -0.01 0.00 0.00 64.34 65.12 1ygw n VAL 16 Cb 0.66 -1.60 0.28 0.00 -0.91 0.00 0.00 33.84 32.27 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 -1.92 -0.06 -0.09 4.52 2.88 -1.09 0.13 113.62 117.99 1ygw n SER 17 Ca 0.00 1.48 -0.08 0.00 -1.33 0.00 0.00 58.87 58.94 1ygw n SER 17 Cb 0.00 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 62.89 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 0.26 -0.58 2.46 2.02 -1.67 0.78 112.91 116.18 1ygw h THR 18 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1ygw h THR 18 Cb 1.18 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1ygw h THR 18 CO -0.80 0.00 0.36 0.00 0.37 0.00 0.00 175.52 175.45 1ygw h ALA 19 N 0.73 0.73 0.36 6.16 0.00 0.11 -2.91 119.26 124.44 1ygw h ALA 19 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ygw h ALA 19 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ygw h ALA 19 CO -0.49 0.20 -0.38 1.96 0.00 0.00 0.00 179.25 180.53 1ygw h GLN 20 N 0.78 -0.74 -1.14 0.00 4.20 0.75 -0.22 115.11 118.75 1ygw h GLN 20 Ca 0.21 0.05 0.36 0.00 0.06 0.00 0.00 58.65 59.33 1ygw h GLN 20 Cb -0.05 0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 1ygw h GLN 20 CO -0.04 -0.50 0.78 0.00 -0.67 0.00 0.00 178.83 178.40 1ygw n ALA 21 N -2.69 1.11 -0.04 3.87 0.00 0.25 0.34 120.51 123.35 1ygw n ALA 21 Ca -0.10 0.54 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 1ygw n ALA 21 Cb 0.38 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 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 0.92 0.17 -0.62 0.00 0.00 -1.19 -2.38 119.26 116.16 1ygw h ALA 22 Ca 0.63 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ygw h ALA 22 Cb 2.25 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 1ygw h ALA 22 CO -0.19 0.62 0.40 0.78 0.00 0.00 0.00 179.25 180.86 1ygw h GLY 23 N -0.49 0.89 0.20 0.00 0.00 0.75 -1.13 103.07 103.28 1ygw h GLY 23 Ca -0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1ygw h GLY 23 CO -0.04 0.33 -0.09 -1.82 0.00 0.00 0.00 176.54 174.92 1ygw h TYR 24 N 0.85 -0.24 -0.92 5.60 3.20 0.20 -0.05 116.97 125.61 1ygw h TYR 24 Ca 0.23 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.21 1ygw h TYR 24 Cb -0.08 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 38.14 1ygw h TYR 24 CO -0.03 -0.15 -0.44 1.17 -1.64 0.00 0.00 178.16 177.07 1ygw n LYS 25 N -3.56 -0.30 -0.14 1.82 0.00 -0.90 0.27 118.16 115.36 1ygw n LYS 25 Ca -0.03 1.40 -0.00 0.00 0.00 0.00 0.00 58.31 59.67 1ygw n LYS 25 Cb 0.10 -2.07 0.25 0.00 0.00 0.00 0.00 35.03 33.32 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 0.76 -0.15 3.14 5.85 -1.31 -0.97 115.31 122.62 1ygw h LEU 26 Ca 0.24 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ygw h LEU 26 Cb 0.47 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ygw h LEU 26 CO -0.89 0.64 0.05 -0.74 -0.34 0.00 0.00 178.44 177.16 1ygw h HIS 27 N 0.84 0.24 0.00 1.25 2.76 0.59 0.14 115.15 120.98 1ygw h HIS 27 Ca 0.21 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1ygw h HIS 27 Cb 0.07 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1ygw h HIS 27 CO 0.01 0.35 -0.04 0.93 -1.30 0.00 0.00 177.93 177.88 1ygw h GLU 28 N 0.06 0.00 0.00 5.26 5.08 0.36 0.13 114.58 125.47 1ygw h GLU 28 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ygw h GLU 28 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ygw h GLU 28 CO -0.00 0.04 -0.65 -0.44 -1.00 0.00 0.00 179.01 176.96 1ygw h ASP 29 N 0.00 0.00 -0.54 1.42 3.32 -0.47 -3.48 116.42 116.68 1ygw h ASP 29 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1ygw h ASP 29 Cb 0.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1ygw h ASP 29 CO 0.01 0.03 -0.15 0.61 -1.72 0.00 0.00 179.24 178.02 1ygw n GLY 30 N 1.16 0.66 4.01 2.75 0.00 0.46 -5.02 105.19 109.21 1ygw n GLY 30 Ca 0.01 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.13 2.29 0.08 1.61 0.41 -0.65 -5.03 118.70 114.29 1ygw s GLU 31 Ca 0.00 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.84 1ygw s GLU 31 Cb 0.00 -2.53 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1ygw s GLU 31 CO 0.00 -0.81 0.02 0.25 -0.49 0.00 0.00 175.26 174.23 1ygw n THR 32 N -2.14 0.00 -4.26 3.63 -2.24 -1.26 -4.24 114.28 103.77 1ygw n THR 32 Ca 0.12 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1ygw n THR 32 Cb 0.62 0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.63 0.64 0.00 2.28 -7.23 -1.09 -4.95 120.40 108.42 1ygw s VAL 33 Ca 0.02 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1ygw s VAL 33 Cb 0.00 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1ygw s VAL 33 CO 0.02 0.24 0.23 0.61 -0.31 0.00 0.00 175.10 175.89 1ygw n GLY 34 N 3.86 0.00 0.00 2.32 0.00 0.14 -3.19 105.19 108.31 1ygw n GLY 34 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.06 0.00 -0.40 1.61 2.88 -1.26 0.25 113.62 117.75 1ygw n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ygw n SER 35 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 0.00 1.81 -1.31 -3.46 3.02 -1.19 -4.88 115.26 109.25 1ygw n ASN 36 Ca 0.00 -0.21 -0.05 0.00 -0.03 0.00 0.00 54.58 54.29 1ygw n ASN 36 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.25 3.60 -4.81 6.41 3.41 -1.26 -3.86 113.62 116.86 1ygw n SER 37 Ca 0.00 -2.38 -0.35 0.00 -0.26 0.00 0.00 58.87 55.88 1ygw n SER 37 Cb 0.00 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 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 -0.67 3.57 1.12 7.33 1.51 -1.26 -4.02 117.35 124.94 1ygw s TYR 38 Ca 0.11 1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 57.52 1ygw s TYR 38 Cb 0.10 -2.75 0.27 0.00 -0.11 0.00 0.00 41.96 39.47 1ygw s TYR 38 CO 0.02 0.19 1.24 -1.25 -1.11 0.00 0.00 175.55 174.64 1ygw s PRO 39 N -2.32 -0.63 -0.14 -1.71 0.04 -1.26 -2.67 135.00 126.31 1ygw s PRO 39 Ca 0.50 -0.37 -0.34 0.00 0.04 0.00 0.00 61.00 60.82 1ygw s PRO 39 Cb -0.15 -1.69 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1ygw s PRO 39 CO 0.20 -3.26 1.42 -3.38 0.04 0.00 0.00 177.00 172.02 1ygw s HIS 40 N -3.50 -0.01 1.02 0.56 -3.43 -1.18 -4.96 115.29 103.79 1ygw s HIS 40 Ca 0.75 -0.00 -0.22 0.00 -0.80 0.00 0.00 55.06 54.78 1ygw s HIS 40 Cb -0.05 0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 31.50 1ygw s HIS 40 CO 0.55 -0.03 -0.92 1.17 -2.00 0.00 0.00 174.74 173.51 1ygw n LYS 41 N -0.38 -0.35 -0.07 -0.38 4.81 -1.25 0.10 118.16 120.64 1ygw n LYS 41 Ca -0.06 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1ygw n LYS 41 Cb 0.62 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 -3.47 0.00 0.00 5.64 9.36 0.49 -3.87 117.16 125.30 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 0.67 0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 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 -4.53 2.98 5.03 -1.26 -4.70 115.26 112.78 1ygw n ASN 43 Ca 0.00 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 1ygw n ASN 43 Cb 0.52 0.00 0.23 0.00 -1.02 0.00 0.00 39.78 39.51 1ygw n ASN 43 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ygw s ASN 44 N 0.00 1.41 0.00 6.41 4.22 -1.26 -4.91 114.94 120.81 1ygw s ASN 44 Ca 0.00 1.72 0.00 0.00 -2.14 0.00 0.00 52.86 52.44 1ygw s ASN 44 Cb 0.00 -2.40 0.00 0.00 1.28 0.00 0.00 41.25 40.13 1ygw s ASN 44 CO 0.00 -3.97 0.00 -1.22 -2.04 0.00 0.00 177.10 169.87 1ygw n TYR 45 N -4.78 -0.44 0.01 1.54 4.01 -1.26 -4.92 117.16 111.33 1ygw n TYR 45 Ca 0.05 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.95 1ygw n TYR 45 Cb 0.53 0.09 0.24 0.00 -0.31 0.00 0.00 39.34 39.89 1ygw n TYR 45 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ygw n GLU 46 N -1.44 0.02 0.00 -0.72 1.02 -1.26 -4.55 120.64 113.71 1ygw n GLU 46 Ca 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1ygw n GLU 46 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 1ygw n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ygw n GLY 47 N -1.60 0.60 3.76 0.62 0.00 -1.26 -5.13 105.19 102.19 1ygw n GLY 47 Ca 0.13 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.73 3.43 -1.00 1.61 0.08 -1.26 -5.01 117.98 115.09 1ygw s PHE 48 Ca 0.00 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.38 1ygw s PHE 48 Cb 0.00 -2.03 0.32 0.00 -0.57 0.00 0.00 43.02 40.73 1ygw s PHE 48 CO 0.00 0.44 1.89 -0.25 -0.10 0.00 0.00 175.22 177.20 1ygw n ASP 49 N 2.86 7.41 -4.57 1.36 8.00 -1.26 -4.97 116.55 125.39 1ygw n ASP 49 Ca -0.18 -3.70 -0.46 0.00 0.71 0.00 0.00 54.79 51.16 1ygw n ASP 49 Cb 0.53 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.08 1.95 0.04 1.24 3.72 -1.26 -4.75 117.46 118.31 1ygw n PHE 50 Ca 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 1ygw n PHE 50 Cb 0.26 -2.66 0.02 0.00 -0.94 0.00 0.00 39.48 36.15 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 10.05 0.00 -4.64 4.37 3.41 -1.26 -4.51 113.62 121.03 1ygw n SER 51 Ca 0.32 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.61 1ygw n SER 51 Cb 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.00 3.74 0.70 -3.33 -7.23 -1.26 -5.10 120.40 105.91 1ygw s VAL 52 Ca 0.01 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1ygw s VAL 52 Cb 0.00 -2.79 0.07 0.00 0.56 0.00 0.00 36.38 34.23 1ygw s VAL 52 CO 0.01 0.08 0.99 -0.44 -0.31 0.00 0.00 175.10 175.43 1ygw s SER 53 N -2.39 4.75 0.72 4.85 0.01 -1.26 -5.03 113.70 115.35 1ygw s SER 53 Ca 0.25 0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.70 1ygw s SER 53 Cb -0.11 -0.93 0.03 0.00 0.21 0.00 0.00 66.02 65.21 1ygw s SER 53 CO 0.17 -1.62 1.10 -0.94 0.41 0.00 0.00 173.24 172.36 1ygw s SER 54 N -4.54 5.26 0.93 2.44 1.04 -1.26 -4.56 113.70 113.01 1ygw s SER 54 Ca 0.61 1.14 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1ygw s SER 54 Cb -0.10 -1.91 0.15 0.00 0.10 0.00 0.00 66.02 64.26 1ygw s SER 54 CO 0.44 -1.46 1.15 -2.16 0.98 0.00 0.00 173.24 172.19 1ygw s PRO 55 N -5.34 0.97 -0.15 4.02 0.04 -1.26 -4.92 135.00 128.35 1ygw s PRO 55 Ca 0.59 0.22 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 1ygw s PRO 55 Cb -0.12 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1ygw s PRO 55 CO 0.52 -2.30 -0.13 0.71 0.04 0.00 0.00 177.00 175.84 1ygw s TYR 56 N -3.30 2.81 -0.23 0.56 2.02 -1.23 -3.66 117.35 114.32 1ygw s TYR 56 Ca 0.65 -0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1ygw s TYR 56 Cb -0.14 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1ygw s TYR 56 CO 0.53 -0.40 -0.01 0.71 -1.57 0.00 0.00 175.55 174.82 1ygw s TYR 57 N 0.75 3.00 0.24 2.71 2.02 5.06 -0.38 117.35 130.75 1ygw s TYR 57 Ca -0.06 -0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 55.55 1ygw s TYR 57 Cb -0.15 -2.15 -0.09 0.00 -0.40 0.00 0.00 41.96 39.17 1ygw s TYR 57 CO 0.01 -0.50 0.98 -1.83 -1.57 0.00 0.00 175.55 172.65 1ygw s GLU 58 N 1.52 4.79 -0.28 -0.62 -1.05 0.29 0.13 118.70 123.48 1ygw s GLU 58 Ca 0.06 1.57 -0.25 0.00 -0.15 0.00 0.00 54.97 56.20 1ygw s GLU 58 Cb -0.15 -3.26 0.10 0.00 -0.44 0.00 0.00 34.13 30.38 1ygw s GLU 58 CO -0.01 0.42 0.90 -0.46 0.95 0.00 0.00 175.26 177.06 1ygw s TRP 59 N -1.08 -0.61 0.45 4.83 -0.11 0.54 -3.11 118.94 119.85 1ygw s TRP 59 Ca 0.42 1.48 -0.22 0.00 1.22 0.00 0.00 56.10 59.01 1ygw s TRP 59 Cb -0.27 0.33 -0.09 0.00 -1.50 0.00 0.00 33.47 31.94 1ygw s TRP 59 CO 0.34 -0.29 1.05 -1.25 -4.62 0.00 0.00 176.95 172.17 1ygw s PRO 60 N 0.32 3.93 -0.13 5.86 0.04 -1.26 0.33 135.00 144.10 1ygw s PRO 60 Ca 0.02 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1ygw s PRO 60 Cb -0.05 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1ygw s PRO 60 CO -0.04 -0.33 -0.13 -1.50 0.04 0.00 0.00 177.00 175.05 1ygw s ILE 61 N -1.85 3.07 -0.27 0.56 2.07 -1.16 -4.63 121.20 118.98 1ygw s ILE 61 Ca 0.64 -0.66 -0.11 0.00 -1.41 0.00 0.00 60.65 59.10 1ygw s ILE 61 Cb -0.19 -2.28 -0.05 0.00 0.13 0.00 0.00 42.46 40.07 1ygw s ILE 61 CO 0.23 0.53 0.21 -0.76 -1.91 0.00 0.00 174.94 173.23 1ygw s LEU 62 N 0.29 4.03 0.00 8.50 1.43 -1.26 -4.77 118.68 126.90 1ygw s LEU 62 Ca -0.10 0.04 0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1ygw s LEU 62 Cb -0.16 -2.15 0.85 0.00 0.03 0.00 0.00 46.19 44.77 1ygw s LEU 62 CO 0.05 -0.05 1.27 -0.24 0.23 0.00 0.00 176.35 177.62 1ygw n SER 63 N 4.99 0.00 0.01 2.29 2.88 -1.26 -1.07 113.62 121.45 1ygw n SER 63 Ca -0.14 -0.50 0.11 0.00 -1.33 0.00 0.00 58.87 57.02 1ygw n SER 63 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.97 0.65 -0.41 -3.46 7.64 -1.26 -4.97 113.62 110.83 1ygw n SER 64 Ca 0.11 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1ygw n SER 64 Cb 0.05 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 1.41 0.96 0.08 0.23 0.00 -0.24 -5.08 105.19 102.56 1ygw n GLY 65 Ca 0.02 -0.55 -0.01 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 1.21 1.45 -4.00 1.61 9.92 -1.26 -5.07 116.55 120.42 1ygw n ASP 66 Ca 0.00 -1.04 -0.31 0.00 -0.53 0.00 0.00 54.79 52.91 1ygw n ASP 66 Cb 0.41 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.47 1.92 -0.94 2.53 1.01 -1.26 -4.53 120.40 118.67 1ygw s VAL 67 Ca 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 1ygw s VAL 67 Cb -0.00 -2.20 -0.27 0.00 0.00 0.00 0.00 36.38 33.90 1ygw s VAL 67 CO 0.00 -0.24 2.28 0.00 0.00 0.00 0.00 175.10 177.14 1ygw n TYR 68 N 4.48 0.36 1.06 5.22 9.36 -1.26 -4.62 117.16 131.76 1ygw n TYR 68 Ca -0.08 0.05 0.11 0.00 3.32 0.00 0.00 57.90 61.30 1ygw n TYR 68 Cb 0.43 -1.25 0.09 0.00 -0.63 0.00 0.00 39.34 37.98 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 9.22 1.60 -4.11 2.98 3.41 -1.26 -4.77 113.62 120.68 1ygw n SER 69 Ca 0.62 -1.25 -0.16 0.00 -0.26 0.00 0.00 58.87 57.82 1ygw n SER 69 Cb 0.20 0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.57 0.69 0.00 5.00 0.00 -1.21 0.23 107.32 109.46 1ygw s GLY 70 Ca 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1ygw s GLY 70 CO 0.60 -0.87 1.39 0.61 0.00 0.00 0.00 173.10 174.82 1ygw n GLY 71 N 1.52 1.68 2.65 0.20 0.00 0.68 -3.57 105.19 108.35 1ygw n GLY 71 Ca -0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 2.12 1.03 0.00 1.61 3.41 -1.26 -5.00 113.62 115.53 1ygw n SER 72 Ca 0.08 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1ygw n SER 72 Cb 0.33 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.11 0.00 0.00 4.33 -0.04 -1.23 -5.09 135.00 132.86 1ygw n PRO 73 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ygw n PRO 73 Cb 0.82 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.95 2.34 0.54 0.55 0.00 -1.26 -4.96 105.19 104.35 1ygw n GLY 74 Ca 0.00 -0.84 0.39 0.00 0.00 0.00 0.00 46.02 45.57 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 75 N 0.00 3.05 -2.40 4.61 0.00 -1.95 -3.37 119.26 119.19 1ygw h ALA 75 Ca 0.00 0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 1ygw h ALA 75 Cb 0.00 0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ygw h ALA 75 CO 0.00 -1.59 0.95 -0.51 0.00 0.00 0.00 179.25 178.10 1ygw s ASP 76 N -4.54 6.70 -0.00 0.00 1.01 -1.26 -1.05 116.67 117.53 1ygw s ASP 76 Ca -0.07 2.33 -0.02 0.00 0.71 0.00 0.00 52.55 55.50 1ygw s ASP 76 Cb 0.27 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 1ygw s ASP 76 CO 0.84 -0.83 0.03 -0.13 0.21 0.00 0.00 175.17 175.29 1ygw s ARG 77 N 2.67 0.18 0.11 8.23 1.81 0.11 -3.01 118.95 129.05 1ygw s ARG 77 Ca 0.70 -0.20 0.08 0.00 -1.72 0.00 0.00 55.73 54.59 1ygw s ARG 77 Cb -0.36 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 1ygw s ARG 77 CO 0.30 -0.03 -0.14 0.14 -0.68 0.00 0.00 175.30 174.89 1ygw s VAL 78 N -0.60 3.12 -0.16 3.52 -7.23 1.01 0.13 120.40 120.19 1ygw s VAL 78 Ca -0.07 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1ygw s VAL 78 Cb -0.04 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1ygw s VAL 78 CO -0.00 0.09 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.18 1ygw s VAL 79 N -1.21 0.76 0.00 1.32 1.01 0.23 0.20 120.40 122.71 1ygw s VAL 79 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ygw s VAL 79 Cb -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1ygw s VAL 79 CO 0.12 0.02 0.00 2.22 0.00 0.00 0.00 175.10 177.46 1ygw n PHE 80 N 4.99 0.00 -3.35 5.22 -1.74 0.35 0.32 117.46 123.25 1ygw n PHE 80 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 1ygw n PHE 80 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 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 0.12 -0.73 5.98 3.02 -0.22 0.87 115.26 124.30 1ygw n ASN 81 Ca 0.00 -0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.31 1ygw n ASN 81 Cb 0.00 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.95 0.01 3.52 2.13 -1.26 -3.65 120.64 123.34 1ygw n GLU 82 Ca 0.00 -1.44 0.05 0.00 0.66 0.00 0.00 57.16 56.43 1ygw n GLU 82 Cb 0.00 -1.42 -0.11 0.00 0.27 0.00 0.00 31.44 30.18 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 0.66 0.39 0.00 4.31 6.94 -1.26 -4.96 115.26 121.34 1ygw n ASN 83 Ca 0.17 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.89 1ygw n ASN 83 Cb 0.40 1.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.86 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 -2.59 0.00 -4.37 0.53 2.04 -1.24 -5.09 115.26 104.54 1ygw n ASN 84 Ca -0.10 0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.67 1ygw n ASN 84 Cb 0.74 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.86 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 -0.10 3.16 0.11 -3.83 -0.21 -1.26 -4.93 119.66 112.60 1ygw s GLN 85 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1ygw s GLN 85 Cb 0.00 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1ygw s GLN 85 CO 0.00 -0.43 0.25 -1.17 -2.12 0.00 0.00 175.29 171.83 1ygw s LEU 86 N 1.53 4.35 0.00 2.90 0.20 -1.26 -1.06 118.68 125.33 1ygw s LEU 86 Ca 0.03 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.07 1ygw s LEU 86 Cb -0.17 -2.94 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1ygw s LEU 86 CO 0.03 0.10 0.00 0.00 -0.29 0.00 0.00 176.35 176.19 1ygw n ALA 87 N -0.18 0.05 -0.13 5.97 0.00 0.94 -4.70 120.51 122.47 1ygw n ALA 87 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ygw n ALA 87 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.43 0.78 1.36 0.00 0.00 0.72 -4.37 105.19 102.25 1ygw n GLY 88 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 3.28 1.68 -0.67 1.61 0.31 -1.13 0.74 118.33 124.15 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 -1.09 0.26 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.66 1.55 -0.11 2.52 -0.00 0.12 0.39 121.20 125.00 1ygw s ILE 90 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.45 1ygw s ILE 90 Cb 0.09 -2.22 0.09 0.00 -0.00 0.00 0.00 42.46 40.41 1ygw s ILE 90 CO 0.01 0.00 0.79 0.28 -0.00 0.00 0.00 174.94 176.03 1ygw s THR 91 N -2.57 0.00 -1.89 8.37 -1.32 0.19 0.05 115.64 118.47 1ygw s THR 91 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1ygw s THR 91 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1ygw s THR 91 CO 0.59 0.00 0.67 1.41 -2.21 0.00 0.00 174.62 175.08 1ygw n HIS 92 N 1.10 0.00 -1.38 9.09 8.25 -0.21 -3.19 115.22 128.87 1ygw n HIS 92 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 1ygw n HIS 92 Cb 0.57 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.43 0.00 -2.83 1.59 -1.04 -1.26 -3.09 114.28 107.22 1ygw n THR 93 Ca 0.00 -0.34 -0.17 0.00 -2.04 0.00 0.00 64.05 61.49 1ygw n THR 93 Cb 0.02 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 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 5.63 -0.27 0.42 3.41 0.00 -1.26 -4.65 105.19 108.47 1ygw n GLY 94 Ca 0.34 0.03 0.22 0.00 0.00 0.00 0.00 46.02 46.61 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 1.32 2.39 0.00 4.61 0.00 -1.77 -3.42 119.26 122.38 1ygw h ALA 95 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ygw h ALA 95 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ygw h ALA 95 CO 0.36 -0.67 0.00 0.45 0.00 0.00 0.00 179.25 179.39 1ygw n SER 96 N -4.45 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 105.87 1ygw n SER 96 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1ygw n SER 96 Cb 0.78 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 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 0.00 0.55 0.18 0.46 0.00 -1.26 -4.41 105.19 100.71 1ygw n GLY 97 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 1.15 -4.71 1.61 4.05 -1.26 -4.94 115.26 111.17 1ygw n ASN 98 Ca 0.00 -0.93 -0.33 0.00 0.45 0.00 0.00 54.58 53.77 1ygw n ASN 98 Cb 0.00 0.49 0.12 0.00 1.23 0.00 0.00 39.78 41.62 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 -2.75 3.78 0.40 1.20 6.03 -1.26 -5.02 114.94 117.31 1ygw s ASN 99 Ca 0.15 2.29 0.08 0.00 -1.03 0.00 0.00 52.86 54.35 1ygw s ASN 99 Cb 0.18 -2.58 -0.04 0.00 -3.03 0.00 0.00 41.25 35.78 1ygw s ASN 99 CO 0.67 -2.54 0.24 -0.36 -2.03 0.00 0.00 177.10 173.09 1ygw s PHE 100 N -2.22 2.67 -0.29 1.54 0.08 -1.26 -4.55 117.98 113.95 1ygw s PHE 100 Ca 0.72 -0.51 -0.15 0.00 0.12 0.00 0.00 56.93 57.10 1ygw s PHE 100 Cb -0.27 -1.97 0.11 0.00 -0.57 0.00 0.00 43.02 40.32 1ygw s PHE 100 CO 0.50 0.11 0.80 0.14 -0.10 0.00 0.00 175.22 176.67 1ygw s VAL 101 N -2.52 -0.16 0.10 -0.44 -7.23 -1.19 -4.87 120.40 104.08 1ygw s VAL 101 Ca 0.43 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.24 1ygw s VAL 101 Cb 0.00 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.78 1ygw s VAL 101 CO 0.24 0.00 1.31 -1.84 -0.31 0.00 0.00 175.10 174.50 1ygw n GLU 102 N 4.31 1.17 0.00 4.82 0.28 -1.26 0.54 120.64 130.50 1ygw n GLU 102 Ca -0.18 0.42 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1ygw n GLU 102 Cb 0.57 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97