#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa s ARG 10 N 0.00 1.09 -0.06 -0.78 0.52 -0.99 -5.02 118.95 113.71 2wwa s ARG 10 Ca 0.00 -1.53 -0.04 0.00 -0.52 0.00 0.00 55.73 53.64 2wwa s ARG 10 Cb 0.00 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.36 2wwa s ARG 10 CO 0.00 -0.18 0.15 -2.00 0.02 0.00 0.00 175.30 173.29 2wwa s GLU 11 N -3.96 0.15 0.13 3.54 2.12 -1.26 -2.49 118.70 116.93 2wwa s GLU 11 Ca 0.25 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2wwa s GLU 11 Cb 0.07 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 2wwa s GLU 11 CO 0.04 -0.07 0.01 0.71 -0.54 0.00 0.00 175.26 175.41 2wwa s TYR 12 N 0.43 0.95 -0.17 5.30 1.51 -1.11 -5.03 117.35 119.22 2wwa s TYR 12 Ca -0.03 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 2wwa s TYR 12 Cb -0.04 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 2wwa s TYR 12 CO -0.02 -0.33 -0.20 0.95 -1.11 0.00 0.00 175.55 174.84 2wwa s THR 13 N -3.82 2.02 -0.17 -0.71 -4.23 -1.26 -2.72 115.64 104.75 2wwa s THR 13 Ca 0.20 -0.92 -0.23 0.00 -1.18 0.00 0.00 61.69 59.57 2wwa s THR 13 Cb 0.07 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2wwa s THR 13 CO 0.00 0.53 0.70 -0.63 -0.54 0.00 0.00 174.62 174.69 2wwa s ILE 14 N 1.25 4.98 -0.40 2.99 1.01 -1.11 -4.95 121.20 124.97 2wwa s ILE 14 Ca 0.04 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 61.77 2wwa s ILE 14 Cb -0.13 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2wwa s ILE 14 CO -0.12 0.11 1.04 0.21 0.00 0.00 0.00 174.94 176.18 2wwa s ASN 15 N 1.11 6.71 -0.11 3.58 3.84 -1.26 -3.51 114.94 125.31 2wwa s ASN 15 Ca 0.33 0.61 0.15 0.00 0.21 0.00 0.00 52.86 54.16 2wwa s ASN 15 Cb -0.16 -2.51 0.27 0.00 -0.55 0.00 0.00 41.25 38.30 2wwa s ASN 15 CO 0.12 -1.02 1.16 0.18 -2.79 0.00 0.00 177.10 174.75 2wwa n LEU 16 N 7.21 2.52 0.14 3.21 4.77 -1.26 -3.93 117.00 129.67 2wwa n LEU 16 Ca 0.10 -2.84 0.02 0.00 -0.03 0.00 0.00 56.01 53.26 2wwa n LEU 16 Cb 0.48 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2wwa n LEU 16 CO 0.64 0.67 0.47 0.45 -1.33 0.00 0.00 177.39 178.29 2wwa h HIS 17 N 0.33 0.00 -3.37 -1.77 3.86 -1.89 -3.36 115.15 108.95 2wwa h HIS 17 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 2wwa h HIS 17 Cb 0.96 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.34 2wwa h HIS 17 CO 0.08 0.52 0.30 0.21 0.86 0.00 0.00 177.93 179.90 2wwa s LYS 18 N -3.00 4.18 0.00 2.45 2.47 -1.25 -4.20 119.74 120.37 2wwa s LYS 18 Ca 0.03 0.76 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 2wwa s LYS 18 Cb 0.08 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 2wwa s LYS 18 CO 0.74 -0.42 0.00 0.54 0.16 0.00 0.00 175.35 176.38 2wwa n ARG 19 N 5.67 0.00 -0.85 4.03 1.74 -1.26 -4.76 116.66 121.23 2wwa n ARG 19 Ca 0.02 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2wwa n ARG 19 Cb 0.48 -2.62 0.25 0.00 -1.02 0.00 0.00 32.46 29.55 2wwa n ARG 19 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wwa n LEU 20 N 0.00 5.07 0.00 0.55 7.94 -1.26 -2.75 117.00 126.55 2wwa n LEU 20 Ca 0.00 -3.38 0.00 0.00 -1.11 0.00 0.00 56.01 51.52 2wwa n LEU 20 Cb 0.00 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.27 2wwa n LEU 20 CO 0.00 0.94 -0.27 1.57 -1.11 0.00 0.00 177.39 178.52 2wwa n HIS 21 N -0.65 0.00 0.59 1.96 -0.00 -1.26 -4.73 115.22 111.14 2wwa n HIS 21 Ca 0.36 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.67 2wwa n HIS 21 Cb 1.20 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 31.33 2wwa n HIS 21 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wwa n GLY 22 N 1.50 -1.53 3.86 1.57 0.00 -1.23 -4.78 105.19 104.58 2wwa n GLY 22 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2wwa n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwa s VAL 23 N -3.14 5.10 0.00 1.61 1.01 -1.11 -4.84 120.40 119.03 2wwa s VAL 23 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2wwa s VAL 23 Cb 0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2wwa s VAL 23 CO 0.67 0.41 0.00 -0.24 0.00 0.00 0.00 175.10 175.94 2wwa n SER 24 N 1.29 0.00 0.00 3.32 2.88 -1.26 -4.84 113.62 115.01 2wwa n SER 24 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2wwa n SER 24 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2wwa n SER 24 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wwa n PHE 25 N 0.34 0.00 0.00 0.66 0.99 -1.26 -5.02 117.46 113.17 2wwa n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wwa n PHE 25 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2wwa n PHE 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2wwa n LYS 26 N 0.00 0.00 -3.24 -1.08 4.76 -1.26 -5.06 118.16 112.28 2wwa n LYS 26 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 2wwa n LYS 26 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2wwa n LYS 26 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wwa n LYS 27 N 0.00 3.59 -0.04 1.97 4.76 -1.26 -4.76 118.16 122.42 2wwa n LYS 27 Ca 0.00 -4.58 -0.14 0.00 -2.87 0.00 0.00 58.31 50.72 2wwa n LYS 27 Cb 0.00 -2.42 -0.09 0.00 -1.84 0.00 0.00 35.03 30.68 2wwa n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wwa h ARG 28 N 5.21 0.31 -0.48 1.97 3.08 -1.88 -3.40 114.38 119.20 2wwa h ARG 28 Ca 0.19 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2wwa h ARG 28 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2wwa h ARG 28 CO 1.10 0.82 0.12 0.00 -1.07 0.00 0.00 179.97 180.93 2wwa h ALA 29 N 0.50 0.63 0.00 0.04 0.00 -1.86 -1.19 119.26 117.38 2wwa h ALA 29 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2wwa h ALA 29 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wwa h ALA 29 CO 0.05 0.31 -0.44 -1.00 0.00 0.00 0.00 179.25 178.18 2wwa h PRO 30 N 0.64 0.00 -0.31 0.00 0.13 -1.98 -2.69 132.00 127.79 2wwa h PRO 30 Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 2wwa h PRO 30 Cb 0.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2wwa h PRO 30 CO 0.00 0.44 -0.49 -0.09 -0.23 0.00 0.00 178.00 177.63 2wwa h ARG 31 N 0.00 0.85 -0.72 0.86 9.65 -1.75 -3.26 114.38 120.01 2wwa h ARG 31 Ca -0.00 -0.50 -0.07 0.00 -1.10 0.00 0.00 59.98 58.31 2wwa h ARG 31 Cb 1.33 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.93 2wwa h ARG 31 CO 0.06 1.14 0.19 0.00 2.80 0.00 0.00 179.97 184.16 2wwa h ALA 32 N 0.77 0.98 -0.65 2.80 0.00 -0.90 -1.05 119.26 121.21 2wwa h ALA 32 Ca 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2wwa h ALA 32 Cb 1.08 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2wwa h ALA 32 CO 0.11 0.67 0.19 0.28 0.00 0.00 0.00 179.25 180.50 2wwa h VAL 33 N 1.09 1.25 -0.48 0.00 2.07 -1.61 -2.32 116.25 116.25 2wwa h VAL 33 Ca 0.23 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2wwa h VAL 33 Cb 0.35 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2wwa h VAL 33 CO -0.00 0.33 -0.07 0.50 0.02 0.00 0.00 177.57 178.36 2wwa h LYS 34 N 0.94 0.85 -0.62 1.57 3.64 -1.51 -2.38 116.57 119.06 2wwa h LYS 34 Ca 0.21 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2wwa h LYS 34 Cb 0.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2wwa h LYS 34 CO -0.00 0.89 0.13 0.93 -2.27 0.00 0.00 179.45 179.12 2wwa h GLU 35 N 0.77 1.01 -0.44 1.90 4.39 -0.98 -2.57 114.58 118.67 2wwa h GLU 35 Ca 0.14 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2wwa h GLU 35 Cb 0.56 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2wwa h GLU 35 CO 0.03 0.93 0.03 0.82 -1.16 0.00 0.00 179.01 179.67 2wwa h ILE 36 N 0.93 1.22 -0.56 3.13 2.04 -1.34 -1.61 117.51 121.32 2wwa h ILE 36 Ca 0.19 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2wwa h ILE 36 Cb 0.39 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2wwa h ILE 36 CO 0.01 0.31 0.29 0.50 0.00 0.00 0.00 178.15 179.26 2wwa h LYS 37 N 0.66 0.78 -0.01 2.37 3.64 -1.05 -1.90 116.57 121.07 2wwa h LYS 37 Ca 0.14 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wwa h LYS 37 Cb 0.37 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wwa h LYS 37 CO 0.01 0.61 -0.39 0.36 -2.27 0.00 0.00 179.45 177.77 2wwa n LYS 38 N -4.59 1.03 0.07 1.90 -0.00 -1.01 -2.36 118.16 113.20 2wwa n LYS 38 Ca 0.03 -0.76 -0.21 0.00 -0.00 0.00 0.00 58.31 57.37 2wwa n LYS 38 Cb 0.10 -1.48 -0.14 0.00 -0.00 0.00 0.00 35.03 33.51 2wwa n LYS 38 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2wwa h PHE 39 N 1.86 0.81 0.00 5.58 0.05 -1.19 -3.17 116.94 120.88 2wwa h PHE 39 Ca 0.00 -0.53 0.00 0.00 3.82 0.00 0.00 57.97 61.26 2wwa h PHE 39 Cb 0.64 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.54 2wwa h PHE 39 CO 0.00 1.39 0.00 0.00 -0.18 0.00 0.00 178.31 179.52 2wwa h ALA 40 N 0.21 1.00 -0.30 2.45 0.00 -1.39 -1.94 119.26 119.30 2wwa h ALA 40 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2wwa h ALA 40 Cb 1.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2wwa h ALA 40 CO 0.20 0.00 -0.16 -0.22 0.00 0.00 0.00 179.25 179.07 2wwa h LYS 41 N 0.00 0.63 -0.12 0.00 3.64 -1.56 -2.77 116.57 116.40 2wwa h LYS 41 Ca 0.00 -0.29 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 2wwa h LYS 41 Cb 0.76 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2wwa h LYS 41 CO 0.00 0.87 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.59 2wwa h LEU 42 N 0.38 0.55 -0.61 5.20 3.38 -1.47 -2.04 115.31 120.70 2wwa h LEU 42 Ca 0.06 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 2wwa h LEU 42 Cb 0.69 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2wwa h LEU 42 CO 0.05 1.06 0.07 0.45 0.09 0.00 0.00 178.44 180.16 2wwa h HIS 43 N 0.06 1.10 0.00 1.13 3.86 -1.45 -3.22 115.15 116.64 2wwa h HIS 43 Ca -0.02 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2wwa h HIS 43 Cb 1.02 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.19 2wwa h HIS 43 CO 0.11 0.95 -1.48 -0.12 0.86 0.00 0.00 177.93 178.26 2wwa n MET 44 N -4.26 0.55 -2.51 2.45 1.56 -1.04 -4.99 117.12 108.88 2wwa n MET 44 Ca 0.03 -0.06 -0.05 0.00 -0.27 0.00 0.00 57.70 57.36 2wwa n MET 44 Cb 0.30 -1.63 0.02 0.00 2.15 0.00 0.00 33.22 34.06 2wwa n MET 44 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wwa n GLY 45 N 1.26 0.41 3.50 -5.12 0.00 -0.80 -5.05 105.19 99.39 2wwa n GLY 45 Ca -0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2wwa n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wwa s THR 46 N -3.08 1.18 0.00 2.61 -1.32 -0.99 -5.07 115.64 108.97 2wwa s THR 46 Ca 0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.54 2wwa s THR 46 Cb -0.03 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2wwa s THR 46 CO 0.17 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.68 2wwa n ASP 47 N -0.86 0.00 -4.77 8.08 5.75 -1.26 -4.80 116.55 118.70 2wwa n ASP 47 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.34 2wwa n ASP 47 Cb 0.66 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.76 2wwa n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wwa s ASP 48 N -1.00 6.11 -0.10 -1.12 -1.08 -1.26 -4.88 116.67 113.35 2wwa s ASP 48 Ca 0.00 2.79 0.02 0.00 -0.52 0.00 0.00 52.55 54.84 2wwa s ASP 48 Cb 0.00 -2.65 0.01 0.00 -1.46 0.00 0.00 42.92 38.83 2wwa s ASP 48 CO 0.00 -1.00 -0.16 -0.69 0.52 0.00 0.00 175.17 173.84 2wwa s VAL 49 N -1.23 1.51 0.04 1.11 1.01 -1.26 -4.66 120.40 116.92 2wwa s VAL 49 Ca 0.59 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 2wwa s VAL 49 Cb -0.41 -1.36 -0.15 0.00 0.00 0.00 0.00 36.38 34.46 2wwa s VAL 49 CO 0.53 0.44 1.51 -0.09 0.00 0.00 0.00 175.10 177.48 2wwa h ARG 50 N 7.18 0.10 -5.22 2.72 9.65 -1.93 -3.49 114.38 123.40 2wwa h ARG 50 Ca -0.29 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2wwa h ARG 50 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2wwa h ARG 50 CO 0.48 0.33 -0.48 1.28 2.80 0.00 0.00 179.97 184.38 2wwa n LEU 51 N -4.90 -7.81 -4.73 3.80 4.77 -1.26 -5.00 117.00 101.87 2wwa n LEU 51 Ca -0.07 0.52 -0.32 0.00 -0.03 0.00 0.00 56.01 56.12 2wwa n LEU 51 Cb 0.16 -3.35 0.11 0.00 -2.33 0.00 0.00 43.42 38.01 2wwa n LEU 51 CO 0.34 -2.30 0.72 0.00 -1.33 0.00 0.00 177.39 174.82 2wwa s ALA 52 N -2.57 2.01 -1.18 -1.18 0.00 -1.25 -4.92 121.76 112.68 2wwa s ALA 52 Ca 0.24 0.52 0.17 0.00 0.00 0.00 0.00 51.96 52.89 2wwa s ALA 52 Cb -0.07 -3.37 0.80 0.00 0.00 0.00 0.00 23.12 20.48 2wwa s ALA 52 CO 0.75 -2.03 1.54 -0.35 0.00 0.00 0.00 175.76 175.66 2wwa n PRO 53 N -3.45 0.10 -0.10 0.00 -0.04 -1.26 -2.49 135.00 127.76 2wwa n PRO 53 Ca 0.11 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2wwa n PRO 53 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2wwa n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2wwa h GLU 54 N 0.00 0.65 -0.35 0.54 4.81 -1.94 -1.95 114.58 116.34 2wwa h GLU 54 Ca 0.00 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 2wwa h GLU 54 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2wwa h GLU 54 CO 0.00 0.88 -0.35 1.25 -0.73 0.00 0.00 179.01 180.06 2wwa h LEU 55 N 0.41 0.85 -0.77 1.64 5.85 -1.78 -2.30 115.31 119.21 2wwa h LEU 55 Ca 0.07 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2wwa h LEU 55 Cb 0.69 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2wwa h LEU 55 CO 0.05 1.11 0.15 -1.13 -0.34 0.00 0.00 178.44 178.28 2wwa h ASN 56 N 0.67 1.02 -0.51 1.25 -1.24 -1.50 -1.88 115.58 113.40 2wwa h ASN 56 Ca 0.07 -0.22 -0.07 0.00 0.71 0.00 0.00 56.30 56.79 2wwa h ASN 56 Cb 0.90 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 2wwa h ASN 56 CO 0.08 0.99 0.07 -0.61 -1.29 0.00 0.00 177.43 176.67 2wwa h GLN 57 N 1.02 0.90 0.00 6.67 5.75 -1.32 -2.89 115.11 125.24 2wwa h GLN 57 Ca 0.21 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2wwa h GLN 57 Cb 0.38 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2wwa h GLN 57 CO 0.00 0.85 0.00 0.00 -2.65 0.00 0.00 178.83 177.04 2wwa h ALA 58 N 1.22 1.00 -0.00 3.38 0.00 -0.76 -1.16 119.26 122.93 2wwa h ALA 58 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wwa h ALA 58 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wwa h ALA 58 CO 0.01 0.00 -0.20 1.51 0.00 0.00 0.00 179.25 180.57 2wwa n ILE 59 N -2.37 0.00 -0.04 0.00 3.06 -0.90 -4.42 119.36 114.69 2wwa n ILE 59 Ca 0.04 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 2wwa n ILE 59 Cb 0.35 1.07 0.00 0.00 0.54 0.00 0.00 39.64 41.60 2wwa n ILE 59 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 2wwa n TRP 60 N -0.49 0.00 -0.08 9.51 7.02 -1.09 -4.15 117.44 128.15 2wwa n TRP 60 Ca 0.03 -0.34 -0.10 0.00 -1.02 0.00 0.00 57.50 56.07 2wwa n TRP 60 Cb 0.15 -0.03 0.04 0.00 -2.42 0.00 0.00 31.31 29.05 2wwa n TRP 60 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2wwa h LYS 61 N 0.00 0.79 0.00 -0.99 2.10 -1.42 -3.19 116.57 113.86 2wwa h LYS 61 Ca 0.00 -0.40 -0.12 0.00 -2.00 0.00 0.00 60.65 58.13 2wwa h LYS 61 Cb 0.37 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 2wwa h LYS 61 CO 0.00 1.03 -2.10 -2.13 -2.00 0.00 0.00 179.45 174.25 2wwa n ARG 62 N -4.05 0.69 -1.45 0.07 3.00 -1.26 -5.06 116.66 108.59 2wwa n ARG 62 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2wwa n ARG 62 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.48 2wwa n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wwa n GLY 63 N 1.46 -1.93 5.00 5.14 0.00 -0.83 -4.67 105.19 109.37 2wwa n GLY 63 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2wwa n GLY 63 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wwa n VAL 64 N -0.19 0.00 -0.19 1.61 0.31 -1.26 -4.52 118.33 114.09 2wwa n VAL 64 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2wwa n VAL 64 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 2wwa n VAL 64 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2wwa h LYS 65 N 0.00 0.38 0.00 5.55 3.64 -1.93 -3.36 116.57 120.85 2wwa h LYS 65 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wwa h LYS 65 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2wwa h LYS 65 CO 0.00 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 177.84 2wwa n GLY 66 N -1.29 1.88 3.33 5.01 0.00 -1.26 -5.06 105.19 107.80 2wwa n GLY 66 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2wwa n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwa s VAL 67 N -2.00 1.27 -0.30 1.61 -7.23 -1.26 -1.96 120.40 110.53 2wwa s VAL 67 Ca 0.00 -2.08 0.10 0.00 -1.81 0.00 0.00 61.98 58.19 2wwa s VAL 67 Cb 0.00 -2.22 0.60 0.00 0.56 0.00 0.00 36.38 35.33 2wwa s VAL 67 CO 0.00 -0.45 1.62 -1.84 -0.31 0.00 0.00 175.10 174.13 2wwa n GLU 68 N -0.40 2.62 0.00 4.82 0.28 -1.26 -5.04 120.64 121.66 2wwa n GLU 68 Ca -0.07 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 2wwa n GLU 68 Cb 0.63 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.51 2wwa n GLU 68 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2wwa n TYR 69 N -0.76 0.00 -1.73 -1.84 4.01 -1.26 -4.79 117.16 110.79 2wwa n TYR 69 Ca 0.37 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.72 2wwa n TYR 69 Cb 1.21 0.03 0.03 0.00 -0.31 0.00 0.00 39.34 40.30 2wwa n TYR 69 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2wwa n ARG 70 N 13.76 1.90 -4.11 -0.72 1.85 -1.26 -4.66 116.66 123.42 2wwa n ARG 70 Ca 0.00 0.68 -0.13 0.00 -1.00 0.00 0.00 57.85 57.41 2wwa n ARG 70 Cb 0.00 -2.51 -0.11 0.00 -1.05 0.00 0.00 32.46 28.79 2wwa n ARG 70 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2wwa s LEU 71 N -2.57 2.34 -0.08 2.89 0.05 -1.23 -4.99 118.68 115.08 2wwa s LEU 71 Ca 0.65 -0.70 -0.07 0.00 0.05 0.00 0.00 54.13 54.06 2wwa s LEU 71 Cb -0.45 -0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 43.47 2wwa s LEU 71 CO 0.54 -0.28 0.19 -0.13 -0.55 0.00 0.00 176.35 176.12 2wwa s ARG 72 N -2.32 3.51 -0.02 1.48 0.52 -1.26 -2.74 118.95 118.11 2wwa s ARG 72 Ca -0.02 -0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.04 2wwa s ARG 72 Cb -0.05 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2wwa s ARG 72 CO -0.01 0.75 0.14 -0.51 0.02 0.00 0.00 175.30 175.69 2wwa s LEU 73 N -1.19 1.52 -0.06 2.53 1.43 -1.10 -5.04 118.68 116.77 2wwa s LEU 73 Ca 0.18 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2wwa s LEU 73 Cb -0.13 0.61 -0.02 0.00 0.03 0.00 0.00 46.19 46.68 2wwa s LEU 73 CO 0.08 -0.25 -0.21 -0.60 0.23 0.00 0.00 176.35 175.60 2wwa s ARG 74 N -0.84 2.57 -0.03 1.70 3.52 -1.00 -2.76 118.95 122.12 2wwa s ARG 74 Ca -0.09 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.61 2wwa s ARG 74 Cb -0.05 -2.26 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 2wwa s ARG 74 CO 0.01 0.46 0.16 -1.50 -0.81 0.00 0.00 175.30 173.62 2wwa s ILE 75 N -0.33 0.05 0.25 4.11 2.07 -1.04 -3.44 121.20 122.87 2wwa s ILE 75 Ca 0.02 -0.41 -0.05 0.00 -1.41 0.00 0.00 60.65 58.79 2wwa s ILE 75 Cb -0.13 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 2wwa s ILE 75 CO 0.02 -0.23 0.32 -0.55 -1.91 0.00 0.00 174.94 172.60 2wwa s SER 76 N -0.81 0.25 0.24 4.50 0.15 -1.25 -2.33 113.70 114.45 2wwa s SER 76 Ca -0.09 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.39 2wwa s SER 76 Cb -0.05 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2wwa s SER 76 CO 0.01 -1.03 -0.11 0.00 1.20 0.00 0.00 173.24 173.31 2wwa s ARG 77 N -3.91 1.45 0.00 5.44 3.03 -1.26 -4.33 118.95 119.37 2wwa s ARG 77 Ca 0.32 -1.68 0.00 0.00 2.03 0.00 0.00 55.73 56.39 2wwa s ARG 77 Cb 0.03 -1.18 0.00 0.00 -1.03 0.00 0.00 34.95 32.77 2wwa s ARG 77 CO 0.13 0.13 0.00 1.17 -1.13 0.00 0.00 175.30 175.60 2wwa n LYS 78 N -0.48 0.00 0.00 3.89 3.00 -1.21 -4.90 118.16 118.46 2wwa n LYS 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2wwa n LYS 78 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 2wwa n LYS 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wwa n ARG 79 N 2.53 0.00 -0.23 1.64 3.00 -1.26 -5.06 116.66 117.28 2wwa n ARG 79 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 2wwa n ARG 79 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.55 2wwa n ARG 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2wwa h ASN 80 N 0.00 0.61 0.00 6.15 4.21 -1.94 -3.48 115.58 121.13 2wwa h ASN 80 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2wwa h ASN 80 Cb 0.00 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 2wwa h ASN 80 CO 0.00 0.41 0.00 1.21 -1.29 0.00 0.00 177.43 177.76 2wwa n GLU 81 N -4.74 0.00 0.14 0.81 4.07 -1.26 -4.68 120.64 114.98 2wwa n GLU 81 Ca 0.08 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.30 2wwa n GLU 81 Cb 0.14 0.00 0.18 0.00 -0.06 0.00 0.00 31.44 31.69 2wwa n GLU 81 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2wwa h GLU 82 N 0.00 0.00 -0.37 5.31 9.09 -1.99 -3.09 114.58 123.53 2wwa h GLU 82 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 2wwa h GLU 82 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2wwa h GLU 82 CO 0.00 0.00 -0.15 1.49 0.05 0.00 0.00 179.01 180.40 2wwa h GLU 83 N 0.00 0.75 -0.04 1.06 4.57 -2.00 -3.38 114.58 115.54 2wwa h GLU 83 Ca 0.00 -0.32 -0.23 0.00 -1.18 0.00 0.00 59.36 57.64 2wwa h GLU 83 Cb 0.90 -0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.32 2wwa h GLU 83 CO 0.00 0.93 -0.50 -3.47 -1.18 0.00 0.00 179.01 174.79 2wwa n ASP 84 N -4.31 -2.83 -4.77 1.04 2.03 -1.26 -5.14 116.55 101.31 2wwa n ASP 84 Ca -0.02 -3.32 -0.41 0.00 0.52 0.00 0.00 54.79 51.56 2wwa n ASP 84 Cb 0.39 1.80 0.01 0.00 -0.72 0.00 0.00 41.12 42.60 2wwa n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wwa n ALA 85 N 1.58 2.23 -3.98 -1.67 0.00 -1.17 -4.84 120.51 112.67 2wwa n ALA 85 Ca 0.09 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 2wwa n ALA 85 Cb 0.63 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 2wwa n ALA 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wwa s LYS 86 N -2.22 2.81 -0.33 0.00 -0.14 -1.26 -5.02 119.74 113.58 2wwa s LYS 86 Ca 0.56 -0.97 -0.01 0.00 -1.36 0.00 0.00 55.97 54.19 2wwa s LYS 86 Cb -0.47 -2.77 0.11 0.00 -1.68 0.00 0.00 37.83 33.02 2wwa s LYS 86 CO 0.62 -0.33 0.14 1.21 -0.76 0.00 0.00 175.35 176.23 2wwa s ASN 87 N 1.27 3.67 0.33 2.83 2.47 -1.26 -3.34 114.94 120.91 2wwa s ASN 87 Ca 0.01 -1.76 -0.29 0.00 0.42 0.00 0.00 52.86 51.24 2wwa s ASN 87 Cb -0.15 -0.66 -0.10 0.00 -1.45 0.00 0.00 41.25 38.88 2wwa s ASN 87 CO -0.09 -0.39 1.26 -2.84 -3.72 0.00 0.00 177.10 171.33 2wwa s PRO 88 N 1.50 4.37 -0.42 0.43 0.02 -1.26 -3.43 135.00 136.20 2wwa s PRO 88 Ca 0.12 2.12 0.08 0.00 0.02 0.00 0.00 61.00 63.34 2wwa s PRO 88 Cb -0.19 -3.06 0.31 0.00 0.02 0.00 0.00 34.50 31.59 2wwa s PRO 88 CO -0.21 -0.14 0.87 -0.11 -0.33 0.00 0.00 177.00 177.09 2wwa n LEU 89 N 0.80 -0.97 0.00 -5.54 -0.00 -1.26 -3.79 117.00 106.23 2wwa n LEU 89 Ca 0.00 -4.24 0.00 0.00 -0.00 0.00 0.00 56.01 51.77 2wwa n LEU 89 Cb 0.43 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.66 2wwa n LEU 89 CO 0.58 2.14 0.00 2.22 -0.00 0.00 0.00 177.39 182.33 2wwa n PHE 90 N 0.64 0.00 -3.94 1.96 -1.74 -1.22 -3.91 117.46 109.25 2wwa n PHE 90 Ca 0.15 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.75 2wwa n PHE 90 Cb 0.65 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.49 2wwa n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2wwa s SER 91 N 1.85 2.87 0.00 5.98 0.15 -1.26 -2.37 113.70 120.91 2wwa s SER 91 Ca 0.00 -0.65 0.28 0.00 0.70 0.00 0.00 55.95 56.28 2wwa s SER 91 Cb 0.00 -1.03 1.00 0.00 -1.71 0.00 0.00 66.02 64.28 2wwa s SER 91 CO 0.00 -0.15 1.71 0.00 1.20 0.00 0.00 173.24 176.01