#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwb s ARG 10 N 0.00 0.58 -0.08 -0.78 0.52 -0.86 -4.98 118.95 113.35 2wwb s ARG 10 Ca 0.00 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 2wwb s ARG 10 Cb 0.00 -0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.24 2wwb s ARG 10 CO 0.00 0.03 -0.15 -2.00 0.02 0.00 0.00 175.30 173.19 2wwb s GLU 11 N -2.09 2.09 0.05 3.54 2.12 -1.26 -1.80 118.70 121.34 2wwb s GLU 11 Ca -0.05 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 54.78 2wwb s GLU 11 Cb -0.06 -1.67 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 2wwb s GLU 11 CO -0.01 0.06 -0.15 0.71 -0.54 0.00 0.00 175.26 175.33 2wwb s TYR 12 N 0.61 1.29 -0.17 5.30 1.51 -0.82 -4.97 117.35 120.11 2wwb s TYR 12 Ca -0.15 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 2wwb s TYR 12 Cb -0.16 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 2wwb s TYR 12 CO 0.05 0.05 -0.02 0.95 -1.11 0.00 0.00 175.55 175.47 2wwb s THR 13 N -0.98 3.95 -0.21 -0.71 -4.23 -1.26 -1.21 115.64 110.99 2wwb s THR 13 Ca 0.01 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 2wwb s THR 13 Cb -0.09 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2wwb s THR 13 CO 0.02 0.47 0.19 -0.63 -0.54 0.00 0.00 174.62 174.13 2wwb s ILE 14 N 0.54 5.36 -0.89 2.99 1.01 -0.78 -4.94 121.20 124.49 2wwb s ILE 14 Ca -0.02 0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 2wwb s ILE 14 Cb -0.14 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.89 2wwb s ILE 14 CO 0.02 0.39 1.20 0.21 0.00 0.00 0.00 174.94 176.76 2wwb s ASN 15 N 0.66 6.47 0.00 3.58 3.84 -1.26 -3.42 114.94 124.81 2wwb s ASN 15 Ca 0.10 -1.57 0.23 0.00 0.21 0.00 0.00 52.86 51.83 2wwb s ASN 15 Cb -0.12 -2.46 0.49 0.00 -0.55 0.00 0.00 41.25 38.61 2wwb s ASN 15 CO 0.02 -1.31 1.45 0.18 -2.79 0.00 0.00 177.10 174.64 2wwb n LEU 16 N 7.61 3.60 -0.01 3.21 4.77 -1.26 -3.24 117.00 131.68 2wwb n LEU 16 Ca 0.20 -1.63 -0.03 0.00 -0.03 0.00 0.00 56.01 54.52 2wwb n LEU 16 Cb 0.49 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.47 2wwb n LEU 16 CO 0.59 0.81 0.80 0.45 -1.33 0.00 0.00 177.39 178.71 2wwb h HIS 17 N 4.44 0.60 -2.92 -1.77 3.86 -1.88 -3.10 115.15 114.38 2wwb h HIS 17 Ca 0.00 -0.10 -0.57 0.00 -1.16 0.00 0.00 60.37 58.54 2wwb h HIS 17 Cb 0.99 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 2wwb h HIS 17 CO 0.32 0.68 0.94 0.21 0.86 0.00 0.00 177.93 180.93 2wwb s LYS 18 N -4.69 4.16 0.00 2.45 2.47 -1.20 -4.17 119.74 118.76 2wwb s LYS 18 Ca -0.08 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 55.96 2wwb s LYS 18 Cb 0.14 -3.81 0.00 0.00 -1.46 0.00 0.00 37.83 32.70 2wwb s LYS 18 CO 0.79 -0.81 0.00 0.54 0.16 0.00 0.00 175.35 176.03 2wwb n ARG 19 N 6.80 0.00 0.00 4.03 1.74 -1.26 -4.76 116.66 123.22 2wwb n ARG 19 Ca 0.14 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 2wwb n ARG 19 Cb 0.45 -1.93 0.38 0.00 -1.02 0.00 0.00 32.46 30.34 2wwb n ARG 19 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wwb n LEU 20 N 0.00 0.35 0.05 0.55 7.94 -1.17 -2.04 117.00 122.67 2wwb n LEU 20 Ca 0.00 0.16 -0.03 0.00 -1.11 0.00 0.00 56.01 55.03 2wwb n LEU 20 Cb 0.00 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.54 2wwb n LEU 20 CO 0.00 0.09 -0.12 -0.74 -1.11 0.00 0.00 177.39 175.50 2wwb h HIS 21 N 0.03 0.00 0.00 1.96 2.76 -1.74 -3.39 115.15 114.77 2wwb h HIS 21 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 2wwb h HIS 21 Cb 0.50 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 2wwb h HIS 21 CO 0.00 0.73 -0.83 0.78 -1.30 0.00 0.00 177.93 177.30 2wwb h GLY 22 N 3.51 0.12 -1.01 5.26 0.00 -1.73 -3.44 103.07 105.77 2wwb h GLY 22 Ca -0.14 -0.21 -0.49 0.00 0.00 0.00 0.00 47.33 46.50 2wwb h GLY 22 CO 0.07 0.18 0.39 0.14 0.00 0.00 0.00 176.54 177.33 2wwb s VAL 23 N -3.21 3.28 0.00 4.60 1.01 -0.87 -4.87 120.40 120.34 2wwb s VAL 23 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2wwb s VAL 23 Cb 0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2wwb s VAL 23 CO 0.81 -0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.13 2wwb n SER 24 N -3.14 -1.09 0.00 3.32 2.88 -1.26 -4.94 113.62 109.39 2wwb n SER 24 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2wwb n SER 24 Cb 0.57 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2wwb n SER 24 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wwb n PHE 25 N 0.79 0.00 0.00 0.66 0.99 -1.26 -4.99 117.46 113.65 2wwb n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wwb n PHE 25 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2wwb n PHE 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2wwb n LYS 26 N 0.00 0.00 -2.89 -1.08 4.76 -1.26 -5.08 118.16 112.61 2wwb n LYS 26 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 2wwb n LYS 26 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2wwb n LYS 26 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wwb n LYS 27 N 0.00 2.98 -0.07 1.97 4.76 -1.26 -4.90 118.16 121.64 2wwb n LYS 27 Ca 0.00 -4.62 -0.12 0.00 -2.87 0.00 0.00 58.31 50.70 2wwb n LYS 27 Cb 0.00 -2.16 -0.05 0.00 -1.84 0.00 0.00 35.03 30.98 2wwb n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wwb h ARG 28 N 2.92 0.45 -0.68 1.97 3.08 -1.93 -3.40 114.38 116.80 2wwb h ARG 28 Ca 0.15 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wwb h ARG 28 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2wwb h ARG 28 CO 0.78 0.72 0.42 0.00 -1.07 0.00 0.00 179.97 180.82 2wwb h ALA 29 N 0.72 0.86 -0.02 0.04 0.00 -1.90 -1.23 119.26 117.72 2wwb h ALA 29 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wwb h ALA 29 Cb 0.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wwb h ALA 29 CO 0.03 0.32 -0.56 -1.00 0.00 0.00 0.00 179.25 178.04 2wwb h PRO 30 N 0.92 0.07 -0.48 0.00 0.13 -2.00 -1.80 132.00 128.83 2wwb h PRO 30 Ca 0.24 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 2wwb h PRO 30 Cb -0.05 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 2wwb h PRO 30 CO -0.05 0.61 -0.19 -0.09 -0.23 0.00 0.00 178.00 178.05 2wwb h ARG 31 N 0.05 0.98 -0.64 0.86 9.65 -1.70 -2.89 114.38 120.70 2wwb h ARG 31 Ca -0.00 -0.41 -0.08 0.00 -1.10 0.00 0.00 59.98 58.39 2wwb h ARG 31 Cb 1.01 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.53 2wwb h ARG 31 CO 0.08 1.09 0.10 0.00 2.80 0.00 0.00 179.97 184.03 2wwb h ALA 32 N 0.87 0.97 -0.65 2.80 0.00 -0.98 -0.23 119.26 122.04 2wwb h ALA 32 Ca 0.11 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2wwb h ALA 32 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wwb h ALA 32 CO 0.06 0.65 0.08 0.28 0.00 0.00 0.00 179.25 180.32 2wwb h VAL 33 N 0.98 1.26 -0.48 0.00 2.07 -1.35 -0.85 116.25 117.88 2wwb h VAL 33 Ca 0.19 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 2wwb h VAL 33 Cb 0.43 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2wwb h VAL 33 CO 0.01 0.40 -0.10 0.50 0.02 0.00 0.00 177.57 178.40 2wwb h LYS 34 N 1.01 0.88 -0.66 1.57 3.64 -1.28 -1.58 116.57 120.15 2wwb h LYS 34 Ca 0.19 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 2wwb h LYS 34 Cb 0.47 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2wwb h LYS 34 CO 0.02 0.94 0.11 0.93 -2.27 0.00 0.00 179.45 179.17 2wwb h GLU 35 N 0.79 1.08 -0.46 1.90 4.39 -0.79 -1.89 114.58 119.60 2wwb h GLU 35 Ca 0.13 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 2wwb h GLU 35 Cb 0.62 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2wwb h GLU 35 CO 0.04 0.99 -0.19 0.82 -1.16 0.00 0.00 179.01 179.51 2wwb h ILE 36 N 1.02 1.27 -0.49 3.13 2.04 -1.02 -0.80 117.51 122.66 2wwb h ILE 36 Ca 0.20 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 2wwb h ILE 36 Cb 0.43 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2wwb h ILE 36 CO 0.01 0.46 0.07 0.50 0.00 0.00 0.00 178.15 179.19 2wwb h LYS 37 N 0.79 0.81 0.00 2.37 3.64 -0.99 -0.64 116.57 122.55 2wwb h LYS 37 Ca 0.11 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2wwb h LYS 37 Cb 0.73 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2wwb h LYS 37 CO 0.06 0.81 -0.47 1.57 -2.27 0.00 0.00 179.45 179.15 2wwb h LYS 38 N 0.68 0.00 -0.17 1.90 5.09 -1.37 -2.31 116.57 120.38 2wwb h LYS 38 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.81 2wwb h LYS 38 Cb 0.40 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.73 2wwb h LYS 38 CO 0.01 0.01 -0.20 0.74 -2.09 0.00 0.00 179.45 177.92 2wwb h PHE 39 N 0.00 0.54 -0.03 0.07 0.05 -1.02 -2.56 116.94 113.99 2wwb h PHE 39 Ca -0.00 -0.17 -0.07 0.00 3.82 0.00 0.00 57.97 61.55 2wwb h PHE 39 Cb 1.01 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.84 2wwb h PHE 39 CO 0.00 0.83 -0.32 0.00 -0.18 0.00 0.00 178.31 178.64 2wwb h ALA 40 N 0.62 1.42 -0.58 2.45 0.00 -1.20 -1.73 119.26 120.23 2wwb h ALA 40 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2wwb h ALA 40 Cb 0.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2wwb h ALA 40 CO 0.05 0.43 0.14 -0.22 0.00 0.00 0.00 179.25 179.65 2wwb h LYS 41 N 0.04 0.93 -0.18 0.00 3.64 -1.35 -1.53 116.57 118.11 2wwb h LYS 41 Ca 0.00 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2wwb h LYS 41 Cb 0.60 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wwb h LYS 41 CO 0.04 0.86 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.79 2wwb h LEU 42 N 0.83 0.51 -0.33 5.20 3.38 -1.06 -1.68 115.31 122.17 2wwb h LEU 42 Ca 0.18 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2wwb h LEU 42 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2wwb h LEU 42 CO 0.00 0.91 -0.02 0.45 0.09 0.00 0.00 178.44 179.87 2wwb h HIS 43 N 0.13 0.65 0.01 1.13 3.86 -1.32 -3.22 115.15 116.39 2wwb h HIS 43 Ca 0.02 -0.12 -0.21 0.00 -1.16 0.00 0.00 60.37 58.90 2wwb h HIS 43 Cb 0.78 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 2wwb h HIS 43 CO 0.08 0.72 -1.00 1.98 0.86 0.00 0.00 177.93 180.58 2wwb h MET 44 N 0.39 0.04 -0.81 2.45 4.05 -1.37 -3.48 114.93 116.19 2wwb h MET 44 Ca 0.09 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2wwb h MET 44 Cb 0.48 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2wwb h MET 44 CO 0.02 1.00 0.00 0.41 0.23 0.00 0.00 176.91 178.57 2wwb n GLY 45 N 1.28 0.96 3.60 1.39 0.00 -0.67 -5.06 105.19 106.69 2wwb n GLY 45 Ca -0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2wwb n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wwb s THR 46 N -2.81 0.84 0.00 2.61 -1.32 -0.99 -5.06 115.64 108.91 2wwb s THR 46 Ca 0.00 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 2wwb s THR 46 Cb 0.00 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2wwb s THR 46 CO 0.00 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.51 2wwb n ASP 47 N -1.27 0.00 -4.72 8.08 5.75 -1.26 -4.84 116.55 118.29 2wwb n ASP 47 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.26 2wwb n ASP 47 Cb 0.66 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 2wwb n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wwb s ASP 48 N -1.00 6.97 -0.17 -1.12 -1.08 -1.26 -4.86 116.67 114.14 2wwb s ASP 48 Ca 0.00 2.23 -0.05 0.00 -0.52 0.00 0.00 52.55 54.21 2wwb s ASP 48 Cb 0.00 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 2wwb s ASP 48 CO 0.00 -0.51 0.01 -0.69 0.52 0.00 0.00 175.17 174.50 2wwb s VAL 49 N 0.60 4.25 0.03 1.11 1.01 -1.26 -4.45 120.40 121.68 2wwb s VAL 49 Ca 0.58 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 2wwb s VAL 49 Cb -0.34 -2.89 -0.17 0.00 0.00 0.00 0.00 36.38 32.98 2wwb s VAL 49 CO 0.33 0.47 1.40 -0.09 0.00 0.00 0.00 175.10 177.20 2wwb h ARG 50 N 6.86 -0.49 -4.89 2.72 9.65 -1.84 -3.50 114.38 122.90 2wwb h ARG 50 Ca -0.34 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2wwb h ARG 50 Cb 1.18 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.82 2wwb h ARG 50 CO 0.65 -0.21 -1.13 1.28 2.80 0.00 0.00 179.97 183.36 2wwb n LEU 51 N -5.22 -6.82 -4.91 3.80 4.77 -1.25 -4.99 117.00 102.36 2wwb n LEU 51 Ca -0.10 1.63 -0.27 0.00 -0.03 0.00 0.00 56.01 57.23 2wwb n LEU 51 Cb 0.27 -3.13 0.06 0.00 -2.33 0.00 0.00 43.42 38.29 2wwb n LEU 51 CO 0.33 -3.24 0.65 0.00 -1.33 0.00 0.00 177.39 173.80 2wwb s ALA 52 N -1.14 3.06 -1.21 -1.18 0.00 -1.12 -4.95 121.76 115.21 2wwb s ALA 52 Ca -0.10 -0.70 0.18 0.00 0.00 0.00 0.00 51.96 51.33 2wwb s ALA 52 Cb 0.01 -2.75 0.83 0.00 0.00 0.00 0.00 23.12 21.21 2wwb s ALA 52 CO 0.72 -1.20 1.55 -0.35 0.00 0.00 0.00 175.76 176.48 2wwb n PRO 53 N -2.92 0.13 -0.08 0.00 -0.04 -1.26 -2.48 135.00 128.35 2wwb n PRO 53 Ca 0.07 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2wwb n PRO 53 Cb 0.59 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2wwb n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2wwb h GLU 54 N 0.00 0.45 -0.09 0.54 4.81 -1.94 -1.70 114.58 116.65 2wwb h GLU 54 Ca 0.00 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 2wwb h GLU 54 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2wwb h GLU 54 CO 0.00 0.70 -0.63 1.25 -0.73 0.00 0.00 179.01 179.60 2wwb h LEU 55 N 0.17 0.37 -0.60 1.64 5.85 -1.80 -1.16 115.31 119.77 2wwb h LEU 55 Ca 0.05 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2wwb h LEU 55 Cb 0.54 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2wwb h LEU 55 CO 0.03 0.90 0.08 -1.13 -0.34 0.00 0.00 178.44 177.98 2wwb h ASN 56 N 0.23 0.97 -0.52 1.25 -1.24 -1.49 -1.05 115.58 113.73 2wwb h ASN 56 Ca -0.01 -0.27 -0.07 0.00 0.71 0.00 0.00 56.30 56.66 2wwb h ASN 56 Cb 1.15 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.92 2wwb h ASN 56 CO 0.10 0.99 0.06 -0.61 -1.29 0.00 0.00 177.43 176.69 2wwb h GLN 57 N 0.91 0.92 -0.59 6.67 5.75 -1.23 -2.19 115.11 125.35 2wwb h GLN 57 Ca 0.18 -0.24 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2wwb h GLN 57 Cb 0.45 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2wwb h GLN 57 CO 0.01 0.88 0.18 0.00 -2.65 0.00 0.00 178.83 177.25 2wwb h ALA 58 N 1.20 1.21 0.05 3.38 0.00 -0.57 -1.56 119.26 122.97 2wwb h ALA 58 Ca 0.17 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 2wwb h ALA 58 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2wwb h ALA 58 CO 0.01 0.55 -1.41 0.97 0.00 0.00 0.00 179.25 179.38 2wwb h ILE 59 N 0.86 1.25 -0.02 0.00 2.10 -1.17 -3.37 117.51 117.16 2wwb h ILE 59 Ca 0.19 -2.97 0.00 0.00 1.08 0.00 0.00 64.86 63.16 2wwb h ILE 59 Cb 0.25 2.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 2wwb h ILE 59 CO -0.01 0.78 -0.05 0.79 -1.08 0.00 0.00 178.15 178.58 2wwb n TRP 60 N -3.32 0.00 -0.03 2.19 7.02 -0.83 -4.12 117.44 118.36 2wwb n TRP 60 Ca -0.11 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.24 2wwb n TRP 60 Cb 1.01 -0.01 -0.09 0.00 -2.42 0.00 0.00 31.31 29.81 2wwb n TRP 60 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2wwb h LYS 61 N 3.48 0.14 0.00 -0.99 2.10 -1.45 -3.27 116.57 116.58 2wwb h LYS 61 Ca 0.00 -0.07 -0.10 0.00 -2.00 0.00 0.00 60.65 58.47 2wwb h LYS 61 Cb 0.77 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 2wwb h LYS 61 CO 0.00 0.60 -0.93 -0.09 -2.00 0.00 0.00 179.45 177.03 2wwb h ARG 62 N -0.32 0.00 -1.64 0.07 9.65 -1.76 -3.49 114.38 116.89 2wwb h ARG 62 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2wwb h ARG 62 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2wwb h ARG 62 CO 0.01 0.28 0.00 0.41 2.80 0.00 0.00 179.97 183.48 2wwb n GLY 63 N 1.28 0.11 4.19 2.80 0.00 -0.46 -4.53 105.19 108.59 2wwb n GLY 63 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2wwb n GLY 63 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wwb n VAL 64 N -0.45 0.00 0.07 1.61 0.31 -1.26 -4.57 118.33 114.05 2wwb n VAL 64 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2wwb n VAL 64 Cb 0.18 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.98 2wwb n VAL 64 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2wwb h LYS 65 N 0.00 0.10 0.00 5.55 3.64 -1.95 -3.42 116.57 120.49 2wwb h LYS 65 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2wwb h LYS 65 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wwb h LYS 65 CO 0.00 1.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.66 2wwb n GLY 66 N 1.42 0.15 3.21 5.01 0.00 -1.26 -5.07 105.19 108.65 2wwb n GLY 66 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2wwb n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwb s VAL 67 N -0.25 -0.02 -1.43 1.61 -7.23 -1.26 -1.35 120.40 110.47 2wwb s VAL 67 Ca 0.00 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 2wwb s VAL 67 Cb 0.00 -0.52 0.06 0.00 0.56 0.00 0.00 36.38 36.48 2wwb s VAL 67 CO 0.00 0.03 2.19 -1.84 -0.31 0.00 0.00 175.10 175.18 2wwb n GLU 68 N 3.82 3.04 0.00 4.82 0.28 -1.26 -4.96 120.64 126.38 2wwb n GLU 68 Ca -0.21 -2.76 0.00 0.00 -0.16 0.00 0.00 57.16 54.03 2wwb n GLU 68 Cb 0.55 -3.20 0.00 0.00 1.43 0.00 0.00 31.44 30.23 2wwb n GLU 68 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2wwb n TYR 69 N 5.55 0.00 -2.11 -1.84 4.01 -1.26 -4.52 117.16 116.98 2wwb n TYR 69 Ca 0.51 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.89 2wwb n TYR 69 Cb 0.38 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.43 2wwb n TYR 69 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2wwb s ARG 70 N 0.00 3.22 -0.01 -0.72 1.70 -1.26 -4.69 118.95 117.19 2wwb s ARG 70 Ca 0.00 1.78 0.03 0.00 -0.47 0.00 0.00 55.73 57.06 2wwb s ARG 70 Cb 0.00 -2.04 -0.00 0.00 -0.57 0.00 0.00 34.95 32.33 2wwb s ARG 70 CO 0.00 -0.99 -0.09 -0.48 -1.08 0.00 0.00 175.30 172.66 2wwb s LEU 71 N -3.79 1.96 0.08 -1.89 0.05 -1.22 -4.96 118.68 108.91 2wwb s LEU 71 Ca 0.74 -0.17 -0.17 0.00 0.05 0.00 0.00 54.13 54.57 2wwb s LEU 71 Cb -0.29 -0.50 -0.07 0.00 -2.05 0.00 0.00 46.19 43.29 2wwb s LEU 71 CO 0.32 0.10 0.54 -0.13 -0.55 0.00 0.00 176.35 176.63 2wwb s ARG 72 N -0.12 4.10 -0.10 1.48 0.52 -1.26 -1.86 118.95 121.70 2wwb s ARG 72 Ca 0.02 0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 55.77 2wwb s ARG 72 Cb -0.05 -3.16 0.03 0.00 0.52 0.00 0.00 34.95 32.30 2wwb s ARG 72 CO -0.00 0.61 0.27 -0.51 0.02 0.00 0.00 175.30 175.68 2wwb s LEU 73 N -1.33 0.85 -0.18 2.53 1.43 -0.35 -5.00 118.68 116.64 2wwb s LEU 73 Ca 0.30 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2wwb s LEU 73 Cb -0.18 0.90 -0.01 0.00 0.03 0.00 0.00 46.19 46.93 2wwb s LEU 73 CO 0.18 -0.11 -0.09 -0.60 0.23 0.00 0.00 176.35 175.96 2wwb s ARG 74 N 0.37 3.33 -0.01 1.70 3.52 -1.21 -1.94 118.95 124.72 2wwb s ARG 74 Ca -0.02 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2wwb s ARG 74 Cb -0.03 -2.82 -0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2wwb s ARG 74 CO -0.02 -0.05 -0.09 -1.50 -0.81 0.00 0.00 175.30 172.84 2wwb s ILE 75 N 1.05 0.70 0.36 4.11 2.07 -0.75 -3.94 121.20 124.81 2wwb s ILE 75 Ca -0.00 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 58.91 2wwb s ILE 75 Cb -0.15 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 2wwb s ILE 75 CO -0.02 0.20 0.10 -0.55 -1.91 0.00 0.00 174.94 172.77 2wwb s SER 76 N -0.10 2.45 0.17 4.50 0.15 -1.24 -2.02 113.70 117.60 2wwb s SER 76 Ca 0.02 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.13 2wwb s SER 76 Cb -0.05 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2wwb s SER 76 CO -0.00 -0.80 0.06 0.00 1.20 0.00 0.00 173.24 173.70 2wwb s ARG 77 N -3.81 1.09 0.00 5.44 3.03 -1.25 -4.16 118.95 119.28 2wwb s ARG 77 Ca 0.30 -1.54 0.00 0.00 2.03 0.00 0.00 55.73 56.52 2wwb s ARG 77 Cb 0.05 0.04 0.00 0.00 -1.03 0.00 0.00 34.95 34.02 2wwb s ARG 77 CO 0.15 -0.25 0.00 1.17 -1.13 0.00 0.00 175.30 175.23 2wwb n LYS 78 N -0.22 0.00 0.00 3.89 3.00 -1.16 -4.81 118.16 118.87 2wwb n LYS 78 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2wwb n LYS 78 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 2wwb n LYS 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wwb n ARG 79 N 1.28 0.00 -0.36 1.64 3.00 -1.26 -5.05 116.66 115.91 2wwb n ARG 79 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2wwb n ARG 79 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 2wwb n ARG 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2wwb n ASN 80 N 0.00 -0.52 0.00 6.15 4.13 -1.26 -4.91 115.26 118.86 2wwb n ASN 80 Ca 0.00 1.67 0.00 0.00 1.68 0.00 0.00 54.58 57.93 2wwb n ASN 80 Cb 0.00 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 2wwb n ASN 80 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wwb n GLU 81 N -5.48 0.00 -0.20 3.52 4.07 -1.26 -4.65 120.64 116.65 2wwb n GLU 81 Ca 0.12 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 2wwb n GLU 81 Cb 0.42 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.83 2wwb n GLU 81 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2wwb h GLU 82 N 0.00 0.78 -0.28 5.31 9.09 -2.00 -3.21 114.58 124.27 2wwb h GLU 82 Ca 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 59.36 59.30 2wwb h GLU 82 Cb 0.00 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 26.93 2wwb h GLU 82 CO 0.00 0.59 0.07 1.49 0.05 0.00 0.00 179.01 181.21 2wwb h GLU 83 N 0.76 0.46 -1.62 1.06 4.57 -2.00 -3.29 114.58 114.52 2wwb h GLU 83 Ca 0.20 -0.11 -0.35 0.00 -1.18 0.00 0.00 59.36 57.92 2wwb h GLU 83 Cb 0.03 -0.06 -0.26 0.00 -0.16 0.00 0.00 28.75 28.30 2wwb h GLU 83 CO -0.03 0.54 -0.71 0.34 -1.18 0.00 0.00 179.01 177.96 2wwb s ASP 84 N -5.83 -0.14 0.36 1.04 2.15 -1.26 -5.13 116.67 107.85 2wwb s ASP 84 Ca -0.13 -2.33 -0.28 0.00 0.43 0.00 0.00 52.55 50.23 2wwb s ASP 84 Cb 0.08 0.84 -0.12 0.00 -0.30 0.00 0.00 42.92 43.42 2wwb s ASP 84 CO 0.74 -0.11 1.44 0.00 -0.17 0.00 0.00 175.17 177.08 2wwb n ALA 85 N 2.91 2.06 -3.36 3.66 0.00 -1.21 -4.91 120.51 119.66 2wwb n ALA 85 Ca 0.23 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.65 2wwb n ALA 85 Cb 0.52 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 2wwb n ALA 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wwb s LYS 86 N -1.84 2.54 -0.31 0.00 -0.14 -1.26 -4.99 119.74 113.74 2wwb s LYS 86 Ca 0.55 -1.26 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 2wwb s LYS 86 Cb -0.51 -3.42 0.09 0.00 -1.68 0.00 0.00 37.83 32.31 2wwb s LYS 86 CO 0.62 -0.70 0.05 1.21 -0.76 0.00 0.00 175.35 175.77 2wwb s ASN 87 N 1.44 4.33 0.25 2.83 2.47 -1.26 -2.98 114.94 122.02 2wwb s ASN 87 Ca -0.02 -1.80 -0.30 0.00 0.42 0.00 0.00 52.86 51.17 2wwb s ASN 87 Cb -0.20 -1.25 -0.09 0.00 -1.45 0.00 0.00 41.25 38.26 2wwb s ASN 87 CO 0.01 -0.37 1.07 -2.84 -3.72 0.00 0.00 177.10 171.25 2wwb s PRO 88 N 1.27 4.67 -0.37 0.43 0.02 -1.26 -2.78 135.00 136.99 2wwb s PRO 88 Ca 0.08 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.84 2wwb s PRO 88 Cb -0.18 -3.23 0.15 0.00 0.02 0.00 0.00 34.50 31.26 2wwb s PRO 88 CO -0.15 0.24 0.31 -1.17 -0.33 0.00 0.00 177.00 175.90 2wwb s LEU 89 N -1.14 0.44 0.00 -5.54 1.98 -1.26 -3.68 118.68 109.47 2wwb s LEU 89 Ca 0.45 -1.93 0.00 0.00 -2.89 0.00 0.00 54.13 49.76 2wwb s LEU 89 Cb -0.30 0.12 0.00 0.00 0.66 0.00 0.00 46.19 46.67 2wwb s LEU 89 CO 0.38 -0.27 0.00 2.22 -1.89 0.00 0.00 176.35 176.79 2wwb n PHE 90 N 4.05 0.00 -5.03 5.38 -1.74 -1.25 -2.78 117.46 116.08 2wwb n PHE 90 Ca 0.13 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.74 2wwb n PHE 90 Cb 0.42 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.26 2wwb n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2wwb s SER 91 N -4.00 2.51 0.00 5.98 0.15 -1.26 -3.29 113.70 113.79 2wwb s SER 91 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2wwb s SER 91 Cb 0.00 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2wwb s SER 91 CO 0.00 0.23 0.46 0.00 1.20 0.00 0.00 173.24 175.13