#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcb s THR 1 N 0.00 2.50 0.27 2.46 -4.23 -1.26 -4.87 115.64 110.50 2wcb s THR 1 Ca 0.00 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 2wcb s THR 1 Cb 0.00 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.95 2wcb s THR 1 CO 0.00 -0.21 1.90 0.11 -0.54 0.00 0.00 174.62 175.88 2wcb h LYS 2 N -0.99 1.13 0.27 3.99 1.57 -2.06 -0.13 116.57 120.35 2wcb h LYS 2 Ca -0.46 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2wcb h LYS 2 Cb 1.30 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2wcb h LYS 2 CO 0.65 0.81 -0.13 1.25 -0.57 0.00 0.00 179.45 181.46 2wcb h LEU 3 N 1.15 -0.31 -1.12 2.94 5.85 -2.00 -2.26 115.31 119.56 2wcb h LEU 3 Ca 0.29 -0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.17 2wcb h LEU 3 Cb -0.01 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 2wcb h LEU 3 CO -0.05 -0.15 0.62 -0.33 -0.34 0.00 0.00 178.44 178.19 2wcb h GLU 4 N -0.45 0.64 -0.56 1.25 5.08 -1.86 -1.76 114.58 116.92 2wcb h GLU 4 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2wcb h GLU 4 Cb 0.34 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2wcb h GLU 4 CO 0.06 0.42 0.20 0.93 -1.00 0.00 0.00 179.01 179.62 2wcb h GLU 5 N 0.66 0.83 -0.34 2.33 5.08 -0.58 -0.64 114.58 121.90 2wcb h GLU 5 Ca 0.57 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.67 2wcb h GLU 5 Cb 1.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2wcb h GLU 5 CO -0.35 0.69 -0.29 0.45 -1.00 0.00 0.00 179.01 178.51 2wcb h HIS 6 N 0.81 0.83 -0.42 4.33 3.86 -0.85 -0.59 115.15 123.12 2wcb h HIS 6 Ca 0.19 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 2wcb h HIS 6 Cb 0.19 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2wcb h HIS 6 CO 0.01 0.93 -0.08 -0.07 0.86 0.00 0.00 177.93 179.58 2wcb h LEU 7 N 0.61 0.80 -0.94 2.43 3.38 -0.67 -2.00 115.31 118.93 2wcb h LEU 7 Ca 0.07 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2wcb h LEU 7 Cb 0.81 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2wcb h LEU 7 CO 0.07 0.97 0.07 -0.33 0.09 0.00 0.00 178.44 179.31 2wcb h GLU 8 N 0.63 0.85 -0.69 1.13 4.39 -1.02 -1.78 114.58 118.09 2wcb h GLU 8 Ca 0.11 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 2wcb h GLU 8 Cb 0.60 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2wcb h GLU 8 CO 0.04 0.81 0.16 0.78 -1.16 0.00 0.00 179.01 179.63 2wcb h GLY 9 N 0.99 1.19 0.91 -3.84 0.00 -0.74 0.17 103.07 101.75 2wcb h GLY 9 Ca 0.17 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 2wcb h GLY 9 CO 0.01 0.70 0.01 -2.22 0.00 0.00 0.00 176.54 175.04 2wcb h ILE 10 N 1.05 1.25 -0.98 2.60 2.04 -1.07 -0.25 117.51 122.15 2wcb h ILE 10 Ca 0.22 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2wcb h ILE 10 Cb 0.38 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2wcb h ILE 10 CO 0.00 0.31 0.65 0.58 0.00 0.00 0.00 178.15 179.69 2wcb h VAL 11 N 0.41 1.24 -0.08 1.67 2.07 -0.89 -1.63 116.25 119.06 2wcb h VAL 11 Ca 0.10 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2wcb h VAL 11 Cb 0.43 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2wcb h VAL 11 CO 0.01 0.24 0.05 -1.13 0.02 0.00 0.00 177.57 176.76 2wcb h ASN 12 N 1.32 0.09 -0.23 0.57 -1.24 -0.23 -1.43 115.58 114.43 2wcb h ASN 12 Ca 0.37 -0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.38 2wcb h ASN 12 Cb -0.13 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 2wcb h ASN 12 CO -0.09 0.10 -0.04 0.40 -1.29 0.00 0.00 177.43 176.52 2wcb h ILE 13 N 0.07 0.80 -0.57 2.57 2.04 -0.82 -0.87 117.51 120.71 2wcb h ILE 13 Ca 0.03 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2wcb h ILE 13 Cb 0.03 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 36.78 2wcb h ILE 13 CO -0.01 0.00 -0.01 0.15 0.00 0.00 0.00 178.15 178.28 2wcb h PHE 14 N 0.02 -0.07 -0.51 1.37 3.57 -1.15 -2.33 116.94 117.85 2wcb h PHE 14 Ca 0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2wcb h PHE 14 Cb 0.16 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2wcb h PHE 14 CO -0.22 -0.16 0.22 0.45 -2.23 0.00 0.00 178.31 176.37 2wcb h HIS 15 N 0.10 0.71 -0.74 0.41 3.86 -0.49 0.79 115.15 119.80 2wcb h HIS 15 Ca 0.29 -0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.59 2wcb h HIS 15 Cb 0.46 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 2wcb h HIS 15 CO -0.36 0.54 0.49 1.96 0.86 0.00 0.00 177.93 181.42 2wcb h GLN 16 N 0.72 0.57 0.11 2.45 1.08 -0.61 -1.93 115.11 117.51 2wcb h GLN 16 Ca 0.18 -0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 57.00 2wcb h GLN 16 Cb 0.12 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2wcb h GLN 16 CO -0.02 0.38 -1.88 0.66 -0.95 0.00 0.00 178.83 177.02 2wcb n TYR 17 N -4.49 1.25 0.04 2.96 4.01 -0.64 -4.29 117.16 116.00 2wcb n TYR 17 Ca 0.13 0.30 0.03 0.00 -0.16 0.00 0.00 57.90 58.19 2wcb n TYR 17 Cb 0.38 -1.16 0.39 0.00 -0.31 0.00 0.00 39.34 38.64 2wcb n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wcb h SER 18 N -0.09 0.40 1.34 7.72 4.64 -0.73 -2.99 113.55 123.84 2wcb h SER 18 Ca -0.41 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wcb h SER 18 Cb 1.93 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2wcb h SER 18 CO 0.05 0.40 0.00 -0.37 -0.87 0.00 0.00 176.83 176.04 2wcb h VAL 19 N 0.43 0.00 -0.66 0.95 -1.51 -1.21 -3.35 116.25 110.90 2wcb h VAL 19 Ca 0.11 -0.60 0.01 0.00 -1.23 0.00 0.00 66.70 64.99 2wcb h VAL 19 Cb 0.16 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 30.83 2wcb h VAL 19 CO -0.00 0.00 0.43 0.03 -1.23 0.00 0.00 177.57 176.80 2wcb h ARG 20 N 0.00 0.84 -5.20 5.19 3.08 -1.71 -3.44 114.38 113.15 2wcb h ARG 20 Ca 0.00 -0.05 -0.43 0.00 0.07 0.00 0.00 59.98 59.57 2wcb h ARG 20 Cb 0.67 -0.19 -0.25 0.00 0.08 0.00 0.00 29.97 30.28 2wcb h ARG 20 CO 0.00 0.56 -0.79 0.15 -1.07 0.00 0.00 179.97 178.82 2wcb s LYS 21 N -6.14 0.90 4.78 0.04 1.02 -1.26 -5.09 119.74 113.99 2wcb s LYS 21 Ca -0.13 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.18 2wcb s LYS 21 Cb 0.14 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2wcb s LYS 21 CO 0.76 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.83 2wcb n GLY 22 N 2.06 2.89 3.71 -3.33 0.00 -1.26 -4.49 105.19 104.77 2wcb n GLY 22 Ca -0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2wcb n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wcb s HIS 23 N 0.00 2.79 -0.42 1.61 5.65 -1.26 -4.89 115.29 118.76 2wcb s HIS 23 Ca 0.00 0.38 0.24 0.00 0.25 0.00 0.00 55.06 55.93 2wcb s HIS 23 Cb 0.00 -4.06 1.02 0.00 -1.18 0.00 0.00 32.58 28.37 2wcb s HIS 23 CO 0.00 -4.06 1.72 1.97 -0.65 0.00 0.00 174.74 173.72 2wcb n PHE 24 N 4.42 0.85 -0.04 3.88 1.16 -1.26 -3.33 117.46 123.15 2wcb n PHE 24 Ca 0.15 0.34 0.08 0.00 -1.87 0.00 0.00 57.45 56.15 2wcb n PHE 24 Cb 0.37 -1.05 0.17 0.00 -1.61 0.00 0.00 39.48 37.36 2wcb n PHE 24 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2wcb n ASP 25 N -2.28 3.03 -4.31 5.98 2.03 -1.26 -2.88 116.55 116.86 2wcb n ASP 25 Ca 0.02 -1.92 -0.16 0.00 0.52 0.00 0.00 54.79 53.25 2wcb n ASP 25 Cb 0.21 -0.24 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 2wcb n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wcb s THR 26 N -1.06 1.07 0.08 5.18 -4.23 -1.21 -4.20 115.64 111.28 2wcb s THR 26 Ca 0.28 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2wcb s THR 26 Cb 0.15 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 2wcb s THR 26 CO 0.21 -0.45 0.04 -1.48 -0.54 0.00 0.00 174.62 172.39 2wcb s LEU 27 N -3.26 2.08 0.50 4.79 2.34 -0.28 -4.57 118.68 120.28 2wcb s LEU 27 Ca 0.25 -1.01 -0.19 0.00 0.06 0.00 0.00 54.13 53.24 2wcb s LEU 27 Cb 0.05 0.38 -0.08 0.00 -0.56 0.00 0.00 46.19 45.98 2wcb s LEU 27 CO 0.06 -0.67 1.00 -0.94 -1.06 0.00 0.00 176.35 174.75 2wcb s SER 28 N -2.95 6.50 0.32 1.48 1.04 -1.26 0.86 113.70 119.69 2wcb s SER 28 Ca 0.12 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.35 2wcb s SER 28 Cb 0.07 -2.53 0.75 0.00 0.10 0.00 0.00 66.02 64.41 2wcb s SER 28 CO -0.06 -0.67 1.82 0.11 0.98 0.00 0.00 173.24 175.42 2wcb h LYS 29 N 1.26 0.74 -0.56 4.02 1.79 -1.04 0.25 116.57 123.03 2wcb h LYS 29 Ca -0.48 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 57.91 2wcb h LYS 29 Cb 1.20 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2wcb h LYS 29 CO 0.60 0.49 0.23 0.78 -1.08 0.00 0.00 179.45 180.47 2wcb h GLY 30 N 0.76 0.90 0.97 3.86 0.00 -1.49 -0.70 103.07 107.38 2wcb h GLY 30 Ca 0.51 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 2wcb h GLY 30 CO -0.28 0.45 0.17 0.83 0.00 0.00 0.00 176.54 177.71 2wcb h GLU 31 N 0.77 0.77 -0.88 4.80 5.08 -1.22 -2.33 114.58 121.56 2wcb h GLU 31 Ca 0.19 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2wcb h GLU 31 Cb 0.19 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2wcb h GLU 31 CO -0.02 0.71 0.57 1.25 -1.00 0.00 0.00 179.01 180.53 2wcb h LEU 32 N 0.67 0.96 -0.86 1.33 5.85 -0.41 -0.46 115.31 122.39 2wcb h LEU 32 Ca 0.16 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2wcb h LEU 32 Cb 0.25 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2wcb h LEU 32 CO -0.01 0.67 0.55 0.50 -0.34 0.00 0.00 178.44 179.81 2wcb h LYS 33 N 1.13 1.03 -0.86 1.25 3.64 -1.02 -0.74 116.57 120.98 2wcb h LYS 33 Ca 0.35 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2wcb h LYS 33 Cb -0.02 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 2wcb h LYS 33 CO -0.11 0.68 0.48 1.96 -2.27 0.00 0.00 179.45 180.20 2wcb h GLN 34 N 1.06 1.20 0.40 1.90 4.20 -0.76 -0.63 115.11 122.48 2wcb h GLN 34 Ca 0.35 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2wcb h GLN 34 Cb 0.04 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2wcb h GLN 34 CO -0.13 0.87 -0.19 1.25 -0.67 0.00 0.00 178.83 179.96 2wcb h LEU 35 N 1.20 -0.45 -0.41 1.46 6.46 -0.77 -2.08 115.31 120.73 2wcb h LEU 35 Ca 0.31 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 2wcb h LEU 35 Cb 0.01 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2wcb h LEU 35 CO -0.05 -0.14 0.21 -0.07 -0.62 0.00 0.00 178.44 177.77 2wcb h LEU 36 N -0.78 0.30 -1.12 2.25 3.38 -1.13 0.85 115.31 119.06 2wcb h LEU 36 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wcb h LEU 36 Cb 0.53 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2wcb h LEU 36 CO 0.09 0.22 0.55 0.74 0.09 0.00 0.00 178.44 180.13 2wcb h THR 37 N 0.42 1.23 0.02 0.22 2.02 -1.12 -2.07 112.91 113.63 2wcb h THR 37 Ca 0.18 -0.45 -0.24 0.00 0.77 0.00 0.00 66.41 66.67 2wcb h THR 37 Cb 0.08 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 2wcb h THR 37 CO -0.12 0.23 -1.30 0.50 0.37 0.00 0.00 175.52 175.20 2wcb h LYS 38 N 1.18 0.04 0.00 6.66 3.64 -1.03 -3.30 116.57 123.76 2wcb h LYS 38 Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2wcb h LYS 38 Cb -0.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2wcb h LYS 38 CO -0.06 1.04 -0.13 0.93 -2.27 0.00 0.00 179.45 178.95 2wcb h GLU 39 N -0.84 0.00 -0.39 1.90 4.39 0.69 -2.93 114.58 117.40 2wcb h GLU 39 Ca -0.34 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.21 2wcb h GLU 39 Cb 1.40 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 2wcb h GLU 39 CO -0.15 0.00 0.02 1.28 -1.16 0.00 0.00 179.01 178.99 2wcb n LEU 40 N -2.85 4.32 -0.25 1.33 4.77 -0.78 -4.83 117.00 118.70 2wcb n LEU 40 Ca 0.04 -3.51 0.04 0.00 -0.03 0.00 0.00 56.01 52.55 2wcb n LEU 40 Cb 0.51 -0.63 0.18 0.00 -2.33 0.00 0.00 43.42 41.15 2wcb n LEU 40 CO 0.34 1.05 1.03 0.00 -1.33 0.00 0.00 177.39 178.48 2wcb h ALA 41 N 1.29 1.05 0.04 -1.18 0.00 -1.60 -1.11 119.26 117.75 2wcb h ALA 41 Ca 0.19 0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 2wcb h ALA 41 Cb 1.71 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2wcb h ALA 41 CO 0.41 -0.17 -1.67 -0.91 0.00 0.00 0.00 179.25 176.91 2wcb h ASN 42 N 0.49 0.14 -0.82 0.00 2.35 -1.88 -3.05 115.58 112.82 2wcb h ASN 42 Ca 0.40 -0.27 0.13 0.00 -0.55 0.00 0.00 56.30 56.01 2wcb h ASN 42 Cb 0.56 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.80 2wcb h ASN 42 CO -0.37 1.24 0.42 0.74 -1.65 0.00 0.00 177.43 177.81 2wcb h THR 43 N 0.02 0.77 -0.19 2.81 2.02 -1.83 -1.52 112.91 115.00 2wcb h THR 43 Ca -0.28 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2wcb h THR 43 Cb 2.00 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2wcb h THR 43 CO 0.10 0.12 0.02 0.40 0.37 0.00 0.00 175.52 176.53 2wcb h ILE 44 N 0.64 1.23 -0.48 3.11 2.04 -1.22 -2.35 117.51 120.49 2wcb h ILE 44 Ca 0.43 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2wcb h ILE 44 Cb 0.56 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2wcb h ILE 44 CO -0.33 0.23 0.25 0.11 0.00 0.00 0.00 178.15 178.41 2wcb h LYS 45 N 0.11 0.48 0.00 2.37 1.57 -1.33 -2.42 116.57 117.34 2wcb h LYS 45 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wcb h LYS 45 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wcb h LYS 45 CO 0.01 0.31 0.00 -0.91 -0.57 0.00 0.00 179.45 178.29 2wcb h ASN 46 N 0.49 0.00 -2.91 0.86 2.35 -1.07 -3.42 115.58 111.89 2wcb h ASN 46 Ca 0.21 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.39 2wcb h ASN 46 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2wcb h ASN 46 CO -0.14 0.00 0.96 -0.63 -1.65 0.00 0.00 177.43 175.98 2wcb s ILE 47 N -3.54 4.10 0.11 2.81 1.01 -0.90 -4.89 121.20 119.91 2wcb s ILE 47 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2wcb s ILE 47 Cb 0.09 -3.93 -0.22 0.00 0.01 0.00 0.00 42.46 38.40 2wcb s ILE 47 CO 0.45 -0.22 1.25 0.07 0.00 0.00 0.00 174.94 176.49 2wcb h LYS 48 N 8.86 0.20 -6.21 2.79 5.09 -1.86 -3.44 116.57 121.99 2wcb h LYS 48 Ca -0.29 -0.29 -0.59 0.00 0.09 0.00 0.00 60.65 59.58 2wcb h LYS 48 Cb 1.12 0.10 -0.10 0.00 0.10 0.00 0.00 32.23 33.45 2wcb h LYS 48 CO 0.98 1.09 0.73 0.34 -2.09 0.00 0.00 179.45 180.50 2wcb s ASP 49 N -6.99 6.43 0.39 7.07 2.15 -1.26 -4.92 116.67 119.54 2wcb s ASP 49 Ca -0.03 -0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.03 2wcb s ASP 49 Cb 0.09 -2.49 0.96 0.00 -0.30 0.00 0.00 42.92 41.18 2wcb s ASP 49 CO 0.85 -1.28 1.87 0.07 -0.17 0.00 0.00 175.17 176.52 2wcb h LYS 50 N 9.34 0.52 -0.67 4.34 2.10 -2.00 -1.85 116.57 128.35 2wcb h LYS 50 Ca -0.25 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 2wcb h LYS 50 Cb 1.07 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 32.25 2wcb h LYS 50 CO 1.11 0.34 0.39 0.00 -2.00 0.00 0.00 179.45 179.29 2wcb h ALA 51 N 1.62 0.85 -0.78 0.07 0.00 -1.99 0.37 119.26 119.40 2wcb h ALA 51 Ca 0.44 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2wcb h ALA 51 Cb 0.90 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2wcb h ALA 51 CO -0.18 0.35 0.51 0.28 0.00 0.00 0.00 179.25 180.21 2wcb h VAL 52 N 0.91 1.18 -0.87 0.00 2.07 -1.76 -0.55 116.25 117.24 2wcb h VAL 52 Ca 0.24 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2wcb h VAL 52 Cb 0.01 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 2wcb h VAL 52 CO -0.04 0.19 0.43 0.40 0.02 0.00 0.00 177.57 178.57 2wcb h ILE 53 N 1.04 1.26 -0.41 4.57 2.04 -1.22 -2.33 117.51 122.46 2wcb h ILE 53 Ca 0.30 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 2wcb h ILE 53 Cb -0.08 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 2wcb h ILE 53 CO -0.08 0.31 -0.21 0.44 0.00 0.00 0.00 178.15 178.61 2wcb h ASP 54 N 1.23 0.83 -0.63 1.72 3.32 -0.58 -2.83 116.42 119.48 2wcb h ASP 54 Ca 0.30 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2wcb h ASP 54 Cb 0.10 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 2wcb h ASP 54 CO -0.04 1.01 0.39 -0.08 -1.72 0.00 0.00 179.24 178.80 2wcb h GLU 55 N 0.71 0.75 -0.87 3.56 4.81 -0.77 0.54 114.58 123.31 2wcb h GLU 55 Ca 0.10 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2wcb h GLU 55 Cb 0.73 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2wcb h GLU 55 CO 0.06 0.49 0.57 0.82 -0.73 0.00 0.00 179.01 180.22 2wcb h ILE 56 N 0.77 1.20 -0.11 2.32 2.04 -1.32 -2.87 117.51 119.54 2wcb h ILE 56 Ca 0.25 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2wcb h ILE 56 Cb 0.00 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 2wcb h ILE 56 CO -0.10 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.75 2wcb n PHE 57 N -4.42 0.11 -1.58 1.37 3.72 -0.97 -5.01 117.46 110.69 2wcb n PHE 57 Ca 0.10 -0.06 -0.48 0.00 -0.05 0.00 0.00 57.45 56.96 2wcb n PHE 57 Cb 0.05 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 2wcb n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2wcb n GLN 58 N 1.06 1.17 -0.33 -1.08 -0.06 0.19 -2.27 117.38 116.06 2wcb n GLN 58 Ca 0.16 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 2wcb n GLN 58 Cb 0.53 -1.89 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 2wcb n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wcb n GLY 59 N 1.94 1.86 0.11 1.69 0.00 -1.26 -4.88 105.19 104.65 2wcb n GLY 59 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2wcb n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wcb h LEU 60 N 0.00 0.25 -0.05 0.99 3.38 -1.82 -3.22 115.31 114.84 2wcb h LEU 60 Ca 0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2wcb h LEU 60 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wcb h LEU 60 CO 0.00 1.07 -0.57 0.44 0.09 0.00 0.00 178.44 179.47 2wcb h ASP 61 N 0.09 0.00 -3.31 -0.43 3.32 -1.90 -3.38 116.42 110.81 2wcb h ASP 61 Ca -0.05 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.41 2wcb h ASP 61 Cb 1.62 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.08 2wcb h ASP 61 CO 0.15 0.57 -0.23 0.00 -1.72 0.00 0.00 179.24 178.00 2wcb s ALA 62 N -2.95 3.53 -0.67 3.45 0.00 -1.22 -4.26 121.76 119.65 2wcb s ALA 62 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2wcb s ALA 62 Cb 0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2wcb s ALA 62 CO 0.75 0.05 0.57 0.09 0.00 0.00 0.00 175.76 177.22 2wcb n ASN 63 N 3.61 -3.23 0.25 0.00 4.13 -1.26 -4.93 115.26 113.83 2wcb n ASN 63 Ca -0.09 -0.39 0.14 0.00 1.68 0.00 0.00 54.58 55.92 2wcb n ASN 63 Cb 0.52 -3.24 0.53 0.00 -1.54 0.00 0.00 39.78 36.05 2wcb n ASN 63 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2wcb h GLN 64 N -0.90 0.00 -0.02 3.52 4.15 -1.74 -2.53 115.11 117.59 2wcb h GLN 64 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2wcb h GLN 64 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2wcb h GLN 64 CO 0.28 0.08 -0.14 -0.25 -1.93 0.00 0.00 178.83 176.86 2wcb n ASP 65 N -3.18 2.26 -4.78 -0.69 8.00 -1.26 -1.48 116.55 115.42 2wcb n ASP 65 Ca 0.01 -1.67 -0.41 0.00 0.71 0.00 0.00 54.79 53.43 2wcb n ASP 65 Cb 0.38 0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2wcb n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2wcb s GLU 66 N -2.17 4.09 0.18 -1.24 2.12 -0.95 -4.73 118.70 115.99 2wcb s GLU 66 Ca 0.27 2.54 -0.24 0.00 0.36 0.00 0.00 54.97 57.90 2wcb s GLU 66 Cb 0.20 -2.95 -0.08 0.00 0.26 0.00 0.00 34.13 31.56 2wcb s GLU 66 CO 0.40 -0.53 0.76 -0.65 -0.54 0.00 0.00 175.26 174.69 2wcb s GLN 67 N -2.11 4.48 -0.07 4.30 -1.52 -1.26 -1.34 119.66 122.14 2wcb s GLN 67 Ca 0.53 1.08 0.05 0.00 -1.95 0.00 0.00 55.36 55.07 2wcb s GLN 67 Cb -0.46 -3.16 -0.00 0.00 -0.22 0.00 0.00 33.01 29.17 2wcb s GLN 67 CO 0.62 0.53 -0.22 0.08 -0.25 0.00 0.00 175.29 176.05 2wcb s VAL 68 N -1.25 1.83 0.58 1.09 1.01 0.25 -4.90 120.40 119.01 2wcb s VAL 68 Ca 0.37 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2wcb s VAL 68 Cb -0.21 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.67 2wcb s VAL 68 CO 0.25 0.51 0.66 -0.90 0.00 0.00 0.00 175.10 175.62 2wcb n ASP 69 N 3.30 2.40 -0.24 3.32 5.68 -1.26 -1.12 116.55 128.63 2wcb n ASP 69 Ca -0.19 -2.71 -0.00 0.00 -0.50 0.00 0.00 54.79 51.39 2wcb n ASP 69 Cb 0.52 -0.28 0.11 0.00 -1.14 0.00 0.00 41.12 40.34 2wcb n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2wcb h PHE 70 N 0.32 0.68 -0.84 2.11 3.57 -2.00 -2.03 116.94 118.76 2wcb h PHE 70 Ca -0.31 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.32 2wcb h PHE 70 Cb 1.28 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 2wcb h PHE 70 CO 0.00 0.30 0.48 0.37 -2.23 0.00 0.00 178.31 177.23 2wcb h GLN 71 N 0.67 0.76 -0.51 1.11 5.75 -1.96 0.32 115.11 121.25 2wcb h GLN 71 Ca 0.32 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 2wcb h GLN 71 Cb 0.24 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2wcb h GLN 71 CO -0.21 0.50 0.02 1.49 -2.65 0.00 0.00 178.83 177.98 2wcb h GLU 72 N 0.78 0.85 -0.82 1.69 4.81 -1.78 -2.44 114.58 117.68 2wcb h GLU 72 Ca 0.42 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2wcb h GLU 72 Cb 0.42 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2wcb h GLU 72 CO -0.27 0.84 0.35 0.35 -0.73 0.00 0.00 179.01 179.55 2wcb h PHE 73 N 0.79 1.22 -0.72 0.92 3.04 -0.33 -2.45 116.94 119.41 2wcb h PHE 73 Ca 0.15 -0.08 0.14 0.00 3.98 0.00 0.00 57.97 62.17 2wcb h PHE 73 Cb 0.45 -0.37 -0.10 0.00 2.56 0.00 0.00 35.95 38.49 2wcb h PHE 73 CO 0.03 0.91 0.23 0.82 -2.02 0.00 0.00 178.31 178.27 2wcb h ILE 74 N 1.18 0.60 -0.76 1.41 2.04 -0.01 -0.37 117.51 121.60 2wcb h ILE 74 Ca 0.28 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2wcb h ILE 74 Cb 0.18 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2wcb h ILE 74 CO -0.03 0.06 0.40 0.28 0.00 0.00 0.00 178.15 178.87 2wcb h SER 75 N 0.35 0.95 0.14 1.72 0.02 -1.17 0.99 113.55 116.55 2wcb h SER 75 Ca 0.40 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 61.06 2wcb h SER 75 Cb 0.63 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2wcb h SER 75 CO -0.44 0.77 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.19 2wcb h LEU 76 N 1.06 0.63 -0.69 5.07 3.38 -1.09 -2.47 115.31 121.20 2wcb h LEU 76 Ca 0.27 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2wcb h LEU 76 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2wcb h LEU 76 CO -0.04 1.18 0.45 0.58 0.09 0.00 0.00 178.44 180.71 2wcb h VAL 77 N 0.35 1.18 -0.58 1.22 2.07 0.50 -0.25 116.25 120.75 2wcb h VAL 77 Ca -0.04 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2wcb h VAL 77 Cb 1.36 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2wcb h VAL 77 CO 0.14 0.18 0.35 0.00 0.02 0.00 0.00 177.57 178.25 2wcb h ALA 78 N 1.25 0.75 -0.28 1.67 0.00 -0.72 0.18 119.26 122.10 2wcb h ALA 78 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2wcb h ALA 78 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2wcb h ALA 78 CO -0.05 0.07 0.16 0.82 0.00 0.00 0.00 179.25 180.24 2wcb h ILE 79 N 0.68 1.12 -0.44 0.00 2.04 -1.00 -1.91 117.51 118.01 2wcb h ILE 79 Ca 0.24 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2wcb h ILE 79 Cb 0.04 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2wcb h ILE 79 CO -0.11 0.12 0.05 0.00 0.00 0.00 0.00 178.15 178.21 2wcb h ALA 80 N 1.03 1.27 -0.43 1.87 0.00 -0.62 -2.21 119.26 120.18 2wcb h ALA 80 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2wcb h ALA 80 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wcb h ALA 80 CO -0.02 0.50 0.07 -0.07 0.00 0.00 0.00 179.25 179.73 2wcb h LEU 81 N 0.65 0.68 -0.33 0.00 3.38 -0.33 0.53 115.31 119.89 2wcb h LEU 81 Ca 0.14 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wcb h LEU 81 Cb 0.34 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2wcb h LEU 81 CO 0.01 0.77 0.09 0.50 0.09 0.00 0.00 178.44 179.90 2wcb h LYS 82 N 0.57 0.22 -0.12 1.13 3.64 -1.01 0.08 116.57 121.07 2wcb h LYS 82 Ca 0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2wcb h LYS 82 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2wcb h LYS 82 CO 0.01 0.14 0.07 0.00 -2.27 0.00 0.00 179.45 177.41 2wcb h ALA 83 N 1.22 0.15 -0.49 5.00 0.00 -1.18 -1.35 119.26 122.62 2wcb h ALA 83 Ca 0.15 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2wcb h ALA 83 Cb 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2wcb h ALA 83 CO -0.17 -0.34 -0.15 0.00 0.00 0.00 0.00 179.25 178.60 2wcb h ALA 84 N 1.01 0.28 0.20 0.00 0.00 -0.72 -1.52 119.26 118.51 2wcb h ALA 84 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wcb h ALA 84 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wcb h ALA 84 CO -0.01 -0.47 -0.21 1.25 0.00 0.00 0.00 179.25 179.81 2wcb h HIS 85 N -0.03 -0.55 -0.80 0.00 6.17 -0.73 -2.27 115.15 116.94 2wcb h HIS 85 Ca 0.23 0.00 0.19 0.00 0.71 0.00 0.00 60.37 61.51 2wcb h HIS 85 Cb 0.39 0.22 -0.12 0.00 2.52 0.00 0.00 27.41 30.41 2wcb h HIS 85 CO -0.44 -0.31 0.21 -0.92 0.71 0.00 0.00 177.93 177.18 2wcb h TYR 86 N -0.44 0.32 0.00 5.26 3.20 -1.12 -0.17 116.97 124.02 2wcb h TYR 86 Ca 0.00 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2wcb h TYR 86 Cb 0.42 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2wcb h TYR 86 CO -0.16 -0.12 -0.27 1.25 -1.64 0.00 0.00 178.16 177.22 2wcb h HIS 87 N 0.26 0.00 0.00 -3.82 2.76 -0.99 -2.55 115.15 110.82 2wcb h HIS 87 Ca 0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 2wcb h HIS 87 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2wcb h HIS 87 CO -0.26 0.27 0.00 1.79 -1.30 0.00 0.00 177.93 178.44 2wcb h THR 88 N 0.00 0.00 -0.41 6.26 1.35 -0.44 -2.85 112.91 116.81 2wcb h THR 88 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2wcb h THR 88 Cb 0.88 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2wcb h THR 88 CO 0.04 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.72 2wcb n HIS 89 N -2.81 0.54 -1.93 4.73 -0.00 -0.96 -4.94 115.22 109.85 2wcb n HIS 89 Ca -0.01 -0.35 -0.41 0.00 -0.00 0.00 0.00 57.72 56.95 2wcb n HIS 89 Cb 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.99 30.10 2wcb n HIS 89 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2wcb s LYS 90 N -1.18 4.22 0.00 -0.41 2.20 -1.08 -5.13 119.74 118.36 2wcb s LYS 90 Ca 0.34 2.39 0.12 0.00 -0.36 0.00 0.00 55.97 58.47 2wcb s LYS 90 Cb 0.19 -3.09 0.10 0.00 -1.51 0.00 0.00 37.83 33.52 2wcb s LYS 90 CO 0.26 -0.51 0.89 -1.91 -0.36 0.00 0.00 175.35 173.72