#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pus s LYS 2 N 0.00 3.19 0.03 0.03 2.20 -1.26 -5.02 119.74 118.91 1pus s LYS 2 Ca 0.00 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.03 1pus s LYS 2 Cb 0.00 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1pus s LYS 2 CO 0.00 -1.56 -0.25 -1.59 -0.36 0.00 0.00 175.35 171.59 1pus s LYS 3 N 3.65 1.79 -0.03 4.03 0.00 -1.26 -2.49 119.74 125.42 1pus s LYS 3 Ca 0.23 -1.03 -0.02 0.00 0.00 0.00 0.00 55.97 55.15 1pus s LYS 3 Cb -0.16 -1.90 0.01 0.00 0.00 0.00 0.00 37.83 35.79 1pus s LYS 3 CO 0.14 0.50 0.07 -0.48 0.00 0.00 0.00 175.35 175.58 1pus s LEU 4 N -1.07 1.49 0.10 2.77 0.05 0.18 -4.94 118.68 117.26 1pus s LEU 4 Ca 0.11 0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.45 1pus s LEU 4 Cb -0.10 0.21 -0.04 0.00 -2.05 0.00 0.00 46.19 44.21 1pus s LEU 4 CO 0.01 -0.06 0.17 -1.10 -0.55 0.00 0.00 176.35 174.83 1pus s GLN 5 N 0.36 3.18 -0.05 1.48 -0.21 -1.26 -1.87 119.66 121.29 1pus s GLN 5 Ca -0.03 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.71 1pus s GLN 5 Cb -0.04 -2.87 0.04 0.00 1.00 0.00 0.00 33.01 31.14 1pus s GLN 5 CO -0.01 0.56 0.11 0.42 -2.12 0.00 0.00 175.29 174.25 1pus s ILE 6 N -1.56 -0.08 -0.11 1.08 -1.09 0.40 -3.27 121.20 116.57 1pus s ILE 6 Ca 0.32 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1pus s ILE 6 Cb -0.12 -0.20 0.01 0.00 -1.58 0.00 0.00 42.46 40.58 1pus s ILE 6 CO 0.25 0.09 -0.16 0.00 -1.23 0.00 0.00 174.94 173.90 1pus s ALA 7 N 1.35 1.77 0.30 9.38 0.00 -1.20 -0.91 121.76 132.45 1pus s ALA 7 Ca -0.07 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1pus s ALA 7 Cb -0.12 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 1pus s ALA 7 CO -0.05 -0.09 -0.14 0.14 0.00 0.00 0.00 175.76 175.62 1pus s VAL 8 N 0.99 2.29 -0.22 0.00 -7.23 0.32 -3.71 120.40 112.84 1pus s VAL 8 Ca -0.06 -2.30 -0.04 0.00 -1.81 0.00 0.00 61.98 57.77 1pus s VAL 8 Cb -0.15 -2.44 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1pus s VAL 8 CO -0.02 -0.32 0.38 -0.83 -0.31 0.00 0.00 175.10 173.99 1pus s GLY 9 N -3.54 -0.37 -0.58 2.32 0.00 -1.18 0.80 107.32 104.78 1pus s GLY 9 Ca 0.31 1.06 -0.27 0.00 0.00 0.00 0.00 44.72 45.82 1pus s GLY 9 CO 0.15 2.53 1.77 -0.42 0.00 0.00 0.00 173.10 177.13 1pus s ILE 10 N 2.55 3.43 -0.12 0.90 1.01 -0.96 -4.50 121.20 123.52 1pus s ILE 10 Ca 0.08 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1pus s ILE 10 Cb -0.14 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1pus s ILE 10 CO -0.14 -0.93 1.45 -0.63 0.00 0.00 0.00 174.94 174.68 1pus s ILE 11 N 8.33 3.95 0.08 2.92 1.01 -1.26 -2.98 121.20 133.25 1pus s ILE 11 Ca 0.65 1.15 0.01 0.00 0.00 0.00 0.00 60.65 62.46 1pus s ILE 11 Cb -0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1pus s ILE 11 CO 0.22 -0.11 0.18 -0.13 0.00 0.00 0.00 174.94 175.10 1pus s ARG 12 N 3.78 3.26 0.21 2.79 0.52 -1.26 0.77 118.95 129.02 1pus s ARG 12 Ca 0.64 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1pus s ARG 12 Cb -0.27 -2.93 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 1pus s ARG 12 CO 0.22 0.58 0.01 0.27 0.02 0.00 0.00 175.30 176.40 1pus n ASN 13 N 0.20 2.39 0.19 0.23 6.94 0.31 -3.08 115.26 122.44 1pus n ASN 13 Ca -0.06 -1.92 0.17 0.00 -0.02 0.00 0.00 54.58 52.75 1pus n ASN 13 Cb 0.52 0.18 0.81 0.00 -2.36 0.00 0.00 39.78 38.93 1pus n ASN 13 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1pus h GLU 14 N 0.00 0.00 -1.01 -3.83 4.22 -1.88 -1.74 114.58 110.34 1pus h GLU 14 Ca -0.17 0.00 -0.50 0.00 0.08 0.00 0.00 59.36 58.77 1pus h GLU 14 Cb 0.53 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.50 1pus h GLU 14 CO 0.28 0.00 0.63 -1.71 -2.18 0.00 0.00 179.01 176.03 1pus n ASN 15 N -3.84 4.27 -1.66 1.04 4.05 -1.26 -4.85 115.26 113.01 1pus n ASN 15 Ca 0.02 -3.50 -0.10 0.00 0.45 0.00 0.00 54.58 51.46 1pus n ASN 15 Cb 0.35 -0.84 -0.03 0.00 1.23 0.00 0.00 39.78 40.50 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1pus n ASN 16 N -0.96 -2.76 -4.95 1.20 0.23 -0.65 -4.88 115.26 102.48 1pus n ASN 16 Ca 0.55 0.25 -0.21 0.00 -0.53 0.00 0.00 54.58 54.64 1pus n ASN 16 Cb 1.44 -2.60 -0.02 0.00 -2.08 0.00 0.00 39.78 36.52 1pus n ASN 16 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1pus s GLU 17 N -3.52 3.31 -0.16 -3.83 2.02 -1.25 -4.10 118.70 111.17 1pus s GLU 17 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1pus s GLU 17 Cb 0.00 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.43 1pus s GLU 17 CO 0.00 0.37 -0.13 -1.50 0.02 0.00 0.00 175.26 174.02 1pus s ILE 18 N -2.03 1.55 -0.56 -1.63 2.07 0.20 0.11 121.20 120.91 1pus s ILE 18 Ca 0.35 -0.68 -0.26 0.00 -1.41 0.00 0.00 60.65 58.65 1pus s ILE 18 Cb -0.09 -1.49 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 1pus s ILE 18 CO 0.29 0.40 2.01 0.12 -1.91 0.00 0.00 174.94 175.85 1pus s PHE 19 N 1.48 1.50 -0.21 3.50 2.19 0.23 -3.85 117.98 122.83 1pus s PHE 19 Ca 0.04 0.99 -0.05 0.00 0.33 0.00 0.00 56.93 58.24 1pus s PHE 19 Cb -0.13 -3.95 -0.02 0.00 -1.31 0.00 0.00 43.02 37.60 1pus s PHE 19 CO -0.10 -2.42 -0.00 0.96 1.83 0.00 0.00 175.22 175.49 1pus s ILE 20 N 9.82 3.86 -0.32 3.12 -4.36 -1.26 -4.30 121.20 127.77 1pus s ILE 20 Ca 0.77 -0.34 -0.29 0.00 -0.26 0.00 0.00 60.65 60.53 1pus s ILE 20 Cb -0.15 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 1pus s ILE 20 CO 0.23 0.41 1.60 0.42 0.24 0.00 0.00 174.94 177.84 1pus s THR 21 N 1.19 3.71 0.42 8.37 -4.23 0.15 -4.33 115.64 120.91 1pus s THR 21 Ca 0.03 0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1pus s THR 21 Cb -0.14 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1pus s THR 21 CO 0.01 -0.48 0.59 -0.60 -0.54 0.00 0.00 174.62 173.61 1pus s ARG 22 N 5.05 2.97 -0.57 3.99 3.00 -1.26 -0.60 118.95 131.53 1pus s ARG 22 Ca 0.70 -0.86 -0.05 0.00 -1.00 0.00 0.00 55.73 54.53 1pus s ARG 22 Cb -0.20 -2.68 -0.08 0.00 0.00 0.00 0.00 34.95 31.98 1pus s ARG 22 CO 0.31 -0.21 2.10 0.54 0.00 0.00 0.00 175.30 178.05 1pus n ARG 23 N -1.91 1.67 -0.14 5.12 5.12 -1.26 -4.62 116.66 120.65 1pus n ARG 23 Ca 0.03 -1.11 0.02 0.00 -1.93 0.00 0.00 57.85 54.86 1pus n ARG 23 Cb 0.58 -2.20 -0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1pus n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pus n ALA 24 N 3.71 -0.66 -0.37 7.54 0.00 -1.26 -3.72 120.51 125.75 1pus n ALA 24 Ca 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 1pus n ALA 24 Cb 0.25 -0.20 0.12 0.00 0.00 0.00 0.00 19.45 19.63 1pus n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pus h ALA 25 N -0.41 1.28 -1.14 0.00 0.00 -1.95 -3.46 119.26 113.58 1pus h ALA 25 Ca 0.00 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.10 1pus h ALA 25 Cb 0.12 -0.38 -0.25 0.00 0.00 0.00 0.00 17.79 17.29 1pus h ALA 25 CO 0.00 0.59 0.91 0.16 0.00 0.00 0.00 179.25 180.91 1pus s ASP 26 N -6.05 -0.07 0.00 0.00 -4.77 -1.24 -5.06 116.67 99.48 1pus s ASP 26 Ca -0.13 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 1pus s ASP 26 Cb 0.18 0.06 0.00 0.00 -1.09 0.00 0.00 42.92 42.08 1pus s ASP 26 CO 0.82 -0.08 0.00 0.00 0.70 0.00 0.00 175.17 176.60 1pus n ALA 27 N 0.40 0.00 -0.67 2.11 0.00 -1.26 -5.09 120.51 116.00 1pus n ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pus n ALA 27 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1pus n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pus n HIS 28 N -1.71 -0.03 -3.45 0.00 8.25 -1.26 -5.02 115.22 112.00 1pus n HIS 28 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1pus n HIS 28 Cb 0.00 0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1pus n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1pus s MET 29 N -0.33 3.58 0.00 -0.41 -1.94 -1.26 -4.86 119.30 114.07 1pus s MET 29 Ca 0.00 -2.87 0.17 0.00 -1.71 0.00 0.00 55.69 51.28 1pus s MET 29 Cb 0.00 -4.27 0.76 0.00 2.01 0.00 0.00 34.83 33.32 1pus s MET 29 CO 0.00 -1.25 1.53 0.00 -0.01 0.00 0.00 175.02 175.29 1pus n ALA 30 N 3.18 1.81 -0.65 3.03 0.00 -1.26 -2.90 120.51 123.73 1pus n ALA 30 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 1pus n ALA 30 Cb 0.41 -1.27 0.16 0.00 0.00 0.00 0.00 19.45 18.75 1pus n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pus n ASN 31 N -1.44 3.73 -0.88 0.00 4.13 -1.25 -4.22 115.26 115.33 1pus n ASN 31 Ca 0.05 -3.14 0.02 0.00 1.68 0.00 0.00 54.58 53.19 1pus n ASN 31 Cb 0.18 -0.74 0.21 0.00 -1.54 0.00 0.00 39.78 37.89 1pus n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pus n LYS 32 N -0.55 1.95 -1.50 3.52 0.00 -0.93 -2.18 118.16 118.47 1pus n LYS 32 Ca 0.41 -3.06 -0.55 0.00 0.00 0.00 0.00 58.31 55.11 1pus n LYS 32 Cb 1.33 -1.75 -0.08 0.00 0.00 0.00 0.00 35.03 34.52 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pus n LEU 33 N -1.04 1.92 -4.41 3.14 0.00 -0.51 -4.44 117.00 111.66 1pus n LEU 33 Ca 0.26 0.70 -0.22 0.00 0.00 0.00 0.00 56.01 56.75 1pus n LEU 33 Cb 0.90 -1.14 -0.08 0.00 0.00 0.00 0.00 43.42 43.10 1pus n LEU 33 CO 0.12 -0.64 -0.18 -0.70 0.00 0.00 0.00 177.39 176.00 1pus s GLU 34 N 5.24 1.79 0.31 1.96 2.56 0.23 -4.07 118.70 126.72 1pus s GLU 34 Ca 1.08 -2.06 0.11 0.00 0.00 0.00 0.00 54.97 54.10 1pus s GLU 34 Cb -1.07 -0.27 -0.06 0.00 2.00 0.00 0.00 34.13 34.74 1pus s GLU 34 CO 0.59 -0.50 -0.15 -0.59 -0.56 0.00 0.00 175.26 174.04 1pus s PHE 35 N -3.38 2.34 1.06 5.30 -0.12 -1.26 0.31 117.98 122.23 1pus s PHE 35 Ca 0.31 -0.40 -0.20 0.00 -0.05 0.00 0.00 56.93 56.59 1pus s PHE 35 Cb 0.03 -1.15 0.00 0.00 -0.63 0.00 0.00 43.02 41.27 1pus s PHE 35 CO 0.18 0.66 -0.41 -0.35 -0.05 0.00 0.00 175.22 175.26 1pus n PRO 36 N -0.69 -0.92 0.00 1.99 -0.04 -1.26 -4.77 135.00 129.31 1pus n PRO 36 Ca -0.05 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1pus n PRO 36 Cb 0.61 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1pus n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pus n GLY 37 N 2.44 0.85 2.96 0.55 0.00 -1.25 -3.07 105.19 107.67 1pus n GLY 37 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1pus n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pus s GLY 38 N -1.78 0.60 0.00 -0.02 0.00 -1.24 -3.24 107.32 101.63 1pus s GLY 38 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1pus s GLY 38 CO 0.00 0.26 0.00 1.17 0.00 0.00 0.00 173.10 174.53 1pus n LYS 39 N 3.89 0.00 0.02 2.90 4.81 -1.26 -4.94 118.16 123.58 1pus n LYS 39 Ca -0.24 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.41 1pus n LYS 39 Cb 0.51 -0.93 0.73 0.00 0.02 0.00 0.00 35.03 35.36 1pus n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1pus h ILE 40 N 0.00 0.55 0.00 3.15 3.07 -1.83 -2.93 117.51 119.52 1pus h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1pus h ILE 40 Cb 0.00 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.23 1pus h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1pus n GLU 41 N -4.07 0.00 0.00 0.16 0.28 -1.20 -4.04 120.64 111.77 1pus n GLU 41 Ca 0.10 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.78 1pus n GLU 41 Cb 0.65 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1pus n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pus n MET 42 N -2.06 0.00 -0.76 3.44 2.81 -1.11 -2.35 117.12 117.10 1pus n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1pus n MET 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1pus n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pus n GLY 43 N 0.00 0.27 2.07 3.03 0.00 -1.26 -5.13 105.19 104.17 1pus n GLY 43 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pus n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pus n GLU 44 N 0.00 0.60 -3.96 1.61 4.71 -0.99 -5.07 120.64 117.53 1pus n GLU 44 Ca -0.16 -1.58 -0.21 0.00 -0.01 0.00 0.00 57.16 55.19 1pus n GLU 44 Cb 0.52 -0.20 -0.03 0.00 -1.01 0.00 0.00 31.44 30.72 1pus n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1pus s THR 45 N -1.12 4.80 0.61 2.62 2.01 -1.26 -4.75 115.64 118.55 1pus s THR 45 Ca 0.33 -1.15 0.27 0.00 0.31 0.00 0.00 61.69 61.46 1pus s THR 45 Cb -0.02 -3.64 0.36 0.00 0.01 0.00 0.00 72.50 69.21 1pus s THR 45 CO 0.21 -0.31 1.73 1.55 -0.69 0.00 0.00 174.62 177.12 1pus h PRO 46 N 1.25 0.00 0.00 4.92 0.13 -1.98 1.38 132.00 137.70 1pus h PRO 46 Ca -0.50 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 1pus h PRO 46 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 1pus h PRO 46 CO 0.60 0.00 -2.44 0.39 -0.23 0.00 0.00 178.00 176.32 1pus n GLU 47 N -3.44 0.62 0.16 0.86 1.02 -1.26 -4.49 120.64 114.11 1pus n GLU 47 Ca 0.10 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.52 1pus n GLU 47 Cb 0.83 -1.52 0.06 0.00 -0.02 0.00 0.00 31.44 30.79 1pus n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1pus h GLN 48 N -0.56 0.00 -0.37 3.49 1.08 -1.78 -3.00 115.11 113.98 1pus h GLN 48 Ca -0.63 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.61 1pus h GLN 48 Cb 1.73 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.12 1pus h GLN 48 CO -0.27 0.38 0.13 0.00 -0.95 0.00 0.00 178.83 178.12 1pus h ALA 49 N 1.62 0.43 0.06 3.87 0.00 0.16 0.67 119.26 126.07 1pus h ALA 49 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1pus h ALA 49 Cb 1.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1pus h ALA 49 CO 0.05 -0.26 -0.51 -0.39 0.00 0.00 0.00 179.25 178.13 1pus h VAL 50 N 0.28 1.55 -0.71 0.00 -1.51 -1.75 -1.86 116.25 112.26 1pus h VAL 50 Ca 0.17 -2.29 0.02 0.00 -1.23 0.00 0.00 66.70 63.37 1pus h VAL 50 Cb 0.14 3.02 -0.04 0.00 -2.13 0.00 0.00 31.29 32.29 1pus h VAL 50 CO -0.17 0.64 0.47 0.58 -1.23 0.00 0.00 177.57 177.85 1pus h VAL 51 N -0.45 1.14 0.04 7.19 2.07 -1.41 1.09 116.25 125.92 1pus h VAL 51 Ca -0.08 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1pus h VAL 51 Cb 1.33 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1pus h VAL 51 CO 0.10 0.16 -0.37 -0.09 0.02 0.00 0.00 177.57 177.39 1pus h ARG 52 N 0.90 0.18 0.00 1.57 1.12 0.27 -3.26 114.38 115.17 1pus h ARG 52 Ca 0.27 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 1pus h ARG 52 Cb -0.02 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.02 1pus h ARG 52 CO -0.07 1.05 -0.04 0.93 -3.11 0.00 0.00 179.97 178.73 1pus h GLU 53 N -0.57 0.00 -0.75 0.20 5.08 -1.09 -2.99 114.58 114.46 1pus h GLU 53 Ca -0.06 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1pus h GLU 53 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1pus h GLU 53 CO 0.07 0.04 0.29 1.25 -1.00 0.00 0.00 179.01 179.66 1pus h LEU 54 N 0.00 0.26 -1.23 1.33 5.85 0.12 1.22 115.31 122.86 1pus h LEU 54 Ca -0.00 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1pus h LEU 54 Cb 0.54 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1pus h LEU 54 CO 0.01 0.10 -0.23 1.56 -0.34 0.00 0.00 178.44 179.53 1pus h GLN 55 N 0.43 0.24 0.02 1.25 4.20 -1.67 1.13 115.11 120.72 1pus h GLN 55 Ca 0.41 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.84 1pus h GLN 55 Cb 0.63 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1pus h GLN 55 CO -0.41 0.47 -0.96 1.49 -0.67 0.00 0.00 178.83 178.75 1pus h GLU 56 N 0.22 0.16 -0.23 1.46 4.81 0.08 0.11 114.58 121.19 1pus h GLU 56 Ca 0.04 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1pus h GLU 56 Cb 0.53 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1pus h GLU 56 CO 0.04 1.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.70 1pus n GLU 57 N -3.57 1.92 0.00 1.92 4.71 0.36 0.14 120.64 126.12 1pus n GLU 57 Ca -0.04 -1.78 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1pus n GLU 57 Cb 0.87 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.99 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pus n VAL 58 N 0.80 0.00 0.00 2.62 0.31 0.39 -4.16 118.33 118.29 1pus n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pus n VAL 58 Cb 0.42 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1pus n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pus n GLY 59 N 1.98 0.55 3.82 2.92 0.00 0.40 0.16 105.19 115.02 1pus n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1pus n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pus s ILE 60 N 0.00 4.21 -0.78 -0.61 -1.16 -1.26 -4.85 121.20 116.75 1pus s ILE 60 Ca 0.00 1.21 -0.23 0.00 -0.51 0.00 0.00 60.65 61.12 1pus s ILE 60 Cb 0.00 -3.57 0.07 0.00 0.61 0.00 0.00 42.46 39.56 1pus s ILE 60 CO 0.00 -0.46 1.15 0.42 -2.81 0.00 0.00 174.94 173.24 1pus s THR 61 N -2.34 4.17 0.09 4.00 -4.23 -1.26 -4.85 115.64 111.22 1pus s THR 61 Ca 0.62 -0.43 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1pus s THR 61 Cb -0.12 -4.82 -0.04 0.00 1.34 0.00 0.00 72.50 68.86 1pus s THR 61 CO 0.25 -1.65 -0.12 -2.16 -0.54 0.00 0.00 174.62 170.40 1pus s PRO 62 N 4.42 2.11 -1.24 3.99 0.04 -1.26 -2.70 135.00 140.36 1pus s PRO 62 Ca 0.31 -1.01 -0.20 0.00 0.04 0.00 0.00 61.00 60.14 1pus s PRO 62 Cb -0.10 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1pus s PRO 62 CO 0.05 0.52 1.85 1.04 0.04 0.00 0.00 177.00 180.50 1pus n GLN 63 N 0.94 2.38 -4.11 4.56 6.02 0.32 -4.84 117.38 122.65 1pus n GLN 63 Ca -0.14 -2.84 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 1pus n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.02 1pus n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pus s HIS 64 N 7.55 2.09 -0.09 1.08 2.46 -1.24 1.00 115.29 128.14 1pus s HIS 64 Ca 0.61 -1.13 -0.33 0.00 0.47 0.00 0.00 55.06 54.68 1pus s HIS 64 Cb 0.02 -1.54 0.14 0.00 -0.13 0.00 0.00 32.58 31.07 1pus s HIS 64 CO 0.11 -0.62 1.40 0.12 -2.47 0.00 0.00 174.74 173.27 1pus s PHE 65 N 1.39 -0.02 0.00 3.88 5.36 -1.24 -4.94 117.98 122.41 1pus s PHE 65 Ca 0.02 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1pus s PHE 65 Cb -0.13 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 1pus s PHE 65 CO -0.09 -0.08 0.00 0.45 -1.46 0.00 0.00 175.22 174.04 1pus n SER 66 N -0.45 0.00 -4.62 6.13 2.88 -1.26 -4.01 113.62 112.29 1pus n SER 66 Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.11 1pus n SER 66 Cb 0.63 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1pus n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pus s LEU 67 N -3.66 3.65 -0.19 2.46 0.20 -1.26 -0.71 118.68 119.17 1pus s LEU 67 Ca 0.00 0.05 0.13 0.00 0.69 0.00 0.00 54.13 55.01 1pus s LEU 67 Cb 0.00 -1.90 -0.23 0.00 -0.43 0.00 0.00 46.19 43.63 1pus s LEU 67 CO 0.00 0.21 0.09 2.22 -0.29 0.00 0.00 176.35 178.58 1pus n PHE 68 N 3.26 0.15 -3.55 5.38 -1.74 -0.08 -4.56 117.46 116.33 1pus n PHE 68 Ca -0.17 0.05 -0.06 0.00 -0.56 0.00 0.00 57.45 56.71 1pus n PHE 68 Cb 0.53 -1.03 -0.02 0.00 1.52 0.00 0.00 39.48 40.48 1pus n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1pus s GLU 69 N -2.51 0.54 -0.06 3.97 -6.30 -0.70 -4.98 118.70 108.65 1pus s GLU 69 Ca -0.15 -0.20 -0.03 0.00 -2.50 0.00 0.00 54.97 52.10 1pus s GLU 69 Cb 0.07 0.25 0.03 0.00 0.00 0.00 0.00 34.13 34.48 1pus s GLU 69 CO 0.78 -0.23 0.14 -1.59 0.02 0.00 0.00 175.26 174.38 1pus s LYS 70 N -2.73 0.10 -0.18 4.30 -2.85 -1.26 0.11 119.74 117.23 1pus s LYS 70 Ca 0.07 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.38 1pus s LYS 70 Cb -0.01 -0.13 0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1pus s LYS 70 CO -0.07 -0.14 -0.18 -1.17 0.10 0.00 0.00 175.35 173.90 1pus s LEU 71 N 0.95 2.23 -0.29 2.77 2.96 0.25 -4.96 118.68 122.59 1pus s LEU 71 Ca -0.07 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 1pus s LEU 71 Cb -0.09 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 45.14 1pus s LEU 71 CO -0.05 0.00 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.26 1pus s GLU 72 N 1.28 2.38 0.00 1.98 2.12 -1.26 -0.60 118.70 124.59 1pus s GLU 72 Ca 0.04 -1.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.06 1pus s GLU 72 Cb -0.13 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1pus s GLU 72 CO -0.11 -0.61 0.02 1.52 -0.54 0.00 0.00 175.26 175.54 1pus s TYR 73 N 1.21 0.10 -0.16 5.30 1.13 -1.15 -5.04 117.35 118.75 1pus s TYR 73 Ca -0.06 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 1pus s TYR 73 Cb -0.20 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.59 1pus s TYR 73 CO -0.02 -0.13 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.86 1pus s GLU 74 N -0.84 2.83 0.84 -3.49 -1.05 -1.26 -1.74 118.70 114.00 1pus s GLU 74 Ca -0.09 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 53.84 1pus s GLU 74 Cb -0.06 -2.41 0.10 0.00 -0.44 0.00 0.00 34.13 31.32 1pus s GLU 74 CO -0.00 -0.15 1.09 -0.06 0.95 0.00 0.00 175.26 177.09 1pus s PHE 75 N 1.18 2.44 -0.73 4.83 0.40 0.35 -4.78 117.98 121.67 1pus s PHE 75 Ca 0.01 1.37 -0.17 0.00 -0.60 0.00 0.00 56.93 57.54 1pus s PHE 75 Cb -0.14 -3.11 -0.17 0.00 0.51 0.00 0.00 43.02 40.11 1pus s PHE 75 CO -0.09 -2.13 1.89 -0.35 0.70 0.00 0.00 175.22 175.24 1pus n PRO 76 N -3.72 0.15 -0.22 0.24 -0.04 -1.26 0.13 135.00 130.27 1pus n PRO 76 Ca 0.08 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 1pus n PRO 76 Cb 0.54 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1pus n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pus n ASP 77 N 13.63 -0.67 -4.03 3.54 8.00 -1.26 -5.08 116.55 130.68 1pus n ASP 77 Ca 0.35 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 1pus n ASP 77 Cb 0.42 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pus s ARG 78 N -0.60 0.45 -0.28 -1.24 3.00 0.34 -4.48 118.95 116.15 1pus s ARG 78 Ca 0.00 -0.70 0.02 0.00 -1.00 0.00 0.00 55.73 54.05 1pus s ARG 78 Cb 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 34.95 34.87 1pus s ARG 78 CO 0.00 0.02 -0.02 -1.58 0.00 0.00 0.00 175.30 173.72 1pus s HIS 79 N -1.39 2.79 -0.30 5.12 5.65 -1.04 0.13 115.29 126.26 1pus s HIS 79 Ca -0.12 -2.17 -0.05 0.00 0.25 0.00 0.00 55.06 52.98 1pus s HIS 79 Cb -0.10 -2.00 0.03 0.00 -1.18 0.00 0.00 32.58 29.33 1pus s HIS 79 CO -0.00 -0.85 0.04 -1.50 -0.65 0.00 0.00 174.74 171.78 1pus s ILE 80 N 1.25 3.50 -0.30 0.89 2.07 -0.71 0.49 121.20 128.40 1pus s ILE 80 Ca 0.00 -1.04 -0.13 0.00 -1.41 0.00 0.00 60.65 58.07 1pus s ILE 80 Cb -0.19 -2.90 -0.04 0.00 0.13 0.00 0.00 42.46 39.47 1pus s ILE 80 CO -0.09 -0.02 0.27 0.42 -1.91 0.00 0.00 174.94 173.61 1pus s THR 81 N 1.38 5.25 -0.25 4.00 -4.23 -0.78 -2.94 115.64 118.06 1pus s THR 81 Ca -0.01 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1pus s THR 81 Cb -0.18 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.04 1pus s THR 81 CO 0.01 0.14 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.41 1pus s LEU 82 N 1.88 3.27 -0.21 4.79 1.43 0.23 0.15 118.68 130.22 1pus s LEU 82 Ca 0.10 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 1pus s LEU 82 Cb -0.16 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1pus s LEU 82 CO 0.11 -0.14 0.00 0.26 0.23 0.00 0.00 176.35 176.81 1pus s TRP 83 N 1.31 3.02 -0.23 0.29 0.52 -0.09 0.86 118.94 124.62 1pus s TRP 83 Ca -0.01 -0.58 -0.10 0.00 0.02 0.00 0.00 56.10 55.43 1pus s TRP 83 Cb -0.17 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1pus s TRP 83 CO -0.04 -0.34 0.15 -0.06 0.02 0.00 0.00 176.95 176.67 1pus s PHE 84 N 1.24 3.31 0.06 -1.98 0.40 0.29 0.12 117.98 121.43 1pus s PHE 84 Ca 0.03 0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1pus s PHE 84 Cb -0.15 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1pus s PHE 84 CO 0.01 0.08 0.03 -1.58 0.70 0.00 0.00 175.22 174.47 1pus s TRP 85 N 0.94 3.09 -0.51 0.36 0.52 0.24 -0.90 118.94 122.69 1pus s TRP 85 Ca 0.07 0.04 -0.17 0.00 0.02 0.00 0.00 56.10 56.07 1pus s TRP 85 Cb -0.13 -1.60 0.08 0.00 -1.15 0.00 0.00 33.47 30.67 1pus s TRP 85 CO 0.03 0.49 0.52 -0.48 0.02 0.00 0.00 176.95 177.53 1pus s LEU 86 N -2.15 5.49 0.24 2.99 0.05 0.11 -2.25 118.68 123.16 1pus s LEU 86 Ca 0.26 -1.29 -0.20 0.00 0.05 0.00 0.00 54.13 52.94 1pus s LEU 86 Cb -0.12 -2.28 -0.09 0.00 -2.05 0.00 0.00 46.19 41.66 1pus s LEU 86 CO 0.18 -0.81 0.76 -0.69 -0.55 0.00 0.00 176.35 175.24 1pus s VAL 87 N 2.05 4.52 -0.14 1.48 1.01 -1.16 -3.67 120.40 124.49 1pus s VAL 87 Ca 0.08 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.50 1pus s VAL 87 Cb -0.24 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 1pus s VAL 87 CO 0.08 0.18 0.00 1.21 0.00 0.00 0.00 175.10 176.56 1pus n GLU 88 N 0.64 1.56 -3.64 2.72 4.07 0.69 -3.99 120.64 122.70 1pus n GLU 88 Ca -0.01 0.02 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1pus n GLU 88 Cb 0.51 -1.33 -0.02 0.00 -0.06 0.00 0.00 31.44 30.54 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1pus s ARG 89 N -2.32 1.33 -0.14 5.31 6.06 0.28 -4.44 118.95 125.03 1pus s ARG 89 Ca -0.10 -0.63 -0.11 0.00 -2.50 0.00 0.00 55.73 52.39 1pus s ARG 89 Cb 0.04 0.52 0.04 0.00 0.06 0.00 0.00 34.95 35.61 1pus s ARG 89 CO 0.50 -0.60 0.35 1.67 -2.50 0.00 0.00 175.30 174.72 1pus s TRP 90 N -3.58 -0.42 0.15 5.12 -2.14 -1.20 0.12 118.94 116.99 1pus s TRP 90 Ca 0.07 0.99 -0.30 0.00 2.66 0.00 0.00 56.10 59.52 1pus s TRP 90 Cb -0.03 0.15 -0.07 0.00 -3.10 0.00 0.00 33.47 30.42 1pus s TRP 90 CO -0.03 -0.22 1.17 -1.21 -2.66 0.00 0.00 176.95 174.00 1pus s GLU 91 N 0.58 4.50 3.10 3.25 2.02 -1.10 -4.73 118.70 126.32 1pus s GLU 91 Ca -0.03 1.81 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1pus s GLU 91 Cb -0.05 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1pus s GLU 91 CO -0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1pus n GLY 92 N 2.40 1.32 2.99 -1.39 0.00 -1.26 -4.43 105.19 104.82 1pus n GLY 92 Ca 0.05 0.55 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 1pus n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pus s GLU 93 N 0.00 0.49 0.01 1.61 2.02 -1.26 -5.12 118.70 116.44 1pus s GLU 93 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 1pus s GLU 93 Cb 0.00 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1pus s GLU 93 CO 0.00 0.11 1.14 -2.14 0.02 0.00 0.00 175.26 174.39 1pus s PRO 94 N -0.44 4.44 0.13 0.39 0.02 -1.26 -4.58 135.00 133.69 1pus s PRO 94 Ca -0.00 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1pus s PRO 94 Cb -0.04 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1pus s PRO 94 CO -0.00 -0.26 0.00 -2.67 -0.33 0.00 0.00 177.00 173.74 1pus n TRP 95 N 4.30 -0.55 0.00 6.54 4.27 0.42 -4.89 117.44 127.52 1pus n TRP 95 Ca 0.09 0.10 0.00 0.00 -3.89 0.00 0.00 57.50 53.80 1pus n TRP 95 Cb 0.47 0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.56 1pus n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pus n GLY 96 N 3.00 0.59 0.00 -1.67 0.00 0.21 -3.50 105.19 103.82 1pus n GLY 96 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1pus n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pus n LYS 97 N 0.00 0.00 -0.13 1.61 3.00 0.37 -4.70 118.16 118.32 1pus n LYS 97 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1pus n LYS 97 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pus h GLU 98 N 0.00 0.59 0.00 1.64 9.09 -1.73 -3.45 114.58 120.71 1pus h GLU 98 Ca 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.27 1pus h GLU 98 Cb 0.00 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.02 1pus h GLU 98 CO 0.00 0.63 0.00 0.41 0.05 0.00 0.00 179.01 180.10 1pus n GLY 99 N -0.58 0.80 3.63 1.06 0.00 -1.26 -5.04 105.19 103.80 1pus n GLY 99 Ca -0.01 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1pus n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pus s GLN 100 N 0.00 3.88 0.42 1.61 -0.21 -1.26 -4.98 119.66 119.12 1pus s GLN 100 Ca 0.00 1.19 -0.22 0.00 0.02 0.00 0.00 55.36 56.36 1pus s GLN 100 Cb 0.00 -3.89 -0.14 0.00 1.00 0.00 0.00 33.01 29.98 1pus s GLN 100 CO 0.00 -1.17 0.35 -2.30 -2.12 0.00 0.00 175.29 170.05 1pus n PRO 101 N 7.40 0.33 -4.66 2.91 -0.02 -1.26 -4.11 135.00 135.59 1pus n PRO 101 Ca 0.15 0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 1pus n PRO 101 Cb 0.47 -1.31 -0.08 0.00 -0.02 0.00 0.00 33.50 32.55 1pus n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pus s GLY 102 N -0.99 2.81 0.05 -1.23 0.00 -1.26 -4.14 107.32 102.57 1pus s GLY 102 Ca 0.62 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.44 1pus s GLY 102 CO 0.60 -2.06 -0.04 -0.54 0.00 0.00 0.00 173.10 171.06 1pus s GLU 103 N -3.81 0.59 -0.48 2.90 0.41 -1.26 -4.99 118.70 112.06 1pus s GLU 103 Ca 0.15 -1.10 -0.28 0.00 -0.41 0.00 0.00 54.97 53.34 1pus s GLU 103 Cb 0.03 0.08 -0.00 0.00 -1.78 0.00 0.00 34.13 32.46 1pus s GLU 103 CO 0.08 -0.07 1.63 -1.58 -0.49 0.00 0.00 175.26 174.83 1pus s TRP 104 N -3.25 2.02 -0.02 1.61 0.51 -1.26 -3.99 118.94 114.56 1pus s TRP 104 Ca 0.03 0.62 0.08 0.00 -2.12 0.00 0.00 56.10 54.71 1pus s TRP 104 Cb 0.03 -4.23 -0.02 0.00 -0.81 0.00 0.00 33.47 28.44 1pus s TRP 104 CO -0.07 -2.32 -0.26 0.00 -0.51 0.00 0.00 176.95 173.79 1pus s MET 105 N 5.82 2.08 -0.12 4.98 0.23 -1.25 -4.92 119.30 126.12 1pus s MET 105 Ca 0.65 -0.92 -0.30 0.00 -1.03 0.00 0.00 55.69 54.09 1pus s MET 105 Cb -0.15 -2.01 -0.08 0.00 -1.53 0.00 0.00 34.83 31.07 1pus s MET 105 CO 0.28 0.55 2.10 -1.13 -2.03 0.00 0.00 175.02 174.79 1pus n SER 106 N 2.45 3.53 0.29 -1.18 3.41 -1.26 -0.63 113.62 120.23 1pus n SER 106 Ca -0.16 0.54 0.20 0.00 -0.26 0.00 0.00 58.87 59.18 1pus n SER 106 Cb 0.51 -1.51 1.01 0.00 -0.26 0.00 0.00 64.21 63.97 1pus n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1pus h LEU 107 N 12.78 0.00 -0.77 1.04 7.12 -1.87 -1.89 115.31 131.71 1pus h LEU 107 Ca -0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1pus h LEU 107 Cb 1.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1pus h LEU 107 CO 0.96 0.00 0.01 0.52 -0.13 0.00 0.00 178.44 179.79 1pus n VAL 108 N -2.90 1.46 -1.62 1.05 0.31 -1.26 -1.57 118.33 113.80 1pus n VAL 108 Ca -0.02 0.63 -0.25 0.00 -0.01 0.00 0.00 64.34 64.69 1pus n VAL 108 Cb 0.10 -1.63 0.08 0.00 -0.91 0.00 0.00 33.84 31.48 1pus n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pus n GLY 109 N -1.39 5.83 3.68 2.92 0.00 -0.71 -5.02 105.19 110.51 1pus n GLY 109 Ca -0.01 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1pus n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pus s LEU 110 N -3.61 4.39 -0.10 0.99 1.98 -0.61 -4.98 118.68 116.74 1pus s LEU 110 Ca 0.55 2.62 0.03 0.00 -2.89 0.00 0.00 54.13 54.45 1pus s LEU 110 Cb 0.45 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.75 1pus s LEU 110 CO 0.02 -0.98 -0.19 0.20 -1.89 0.00 0.00 176.35 173.51 1pus s ASN 111 N 3.05 2.65 0.26 3.68 0.01 -1.26 -4.87 114.94 118.47 1pus s ASN 111 Ca 0.80 -0.48 0.25 0.00 -0.71 0.00 0.00 52.86 52.72 1pus s ASN 111 Cb -0.43 -1.21 0.95 0.00 0.41 0.00 0.00 41.25 40.98 1pus s ASN 111 CO 0.36 0.09 1.74 0.00 -1.51 0.00 0.00 177.10 177.78 1pus n ALA 112 N 3.77 1.80 -0.05 0.60 0.00 -1.26 -2.83 120.51 122.55 1pus n ALA 112 Ca -0.20 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1pus n ALA 112 Cb 0.52 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1pus n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1pus h ASP 113 N 0.00 0.05 0.28 0.00 1.82 -1.94 -3.33 116.42 113.30 1pus h ASP 113 Ca 0.00 -0.91 -0.08 0.00 -0.39 0.00 0.00 57.03 55.64 1pus h ASP 113 Cb 0.46 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1pus h ASP 113 CO 0.00 0.96 -0.34 -2.24 -1.61 0.00 0.00 179.24 176.01 1pus h ASP 114 N -0.85 0.10 -2.78 2.28 2.03 -1.83 -3.44 116.42 111.93 1pus h ASP 114 Ca -0.01 -0.04 -0.45 0.00 -0.73 0.00 0.00 57.03 55.80 1pus h ASP 114 Cb 0.98 -0.03 0.07 0.00 -0.83 0.00 0.00 39.33 39.52 1pus h ASP 114 CO 0.01 0.45 0.08 0.72 -1.03 0.00 0.00 179.24 179.48 1pus s PHE 115 N -4.26 2.50 0.04 4.15 -0.71 -1.13 -1.42 117.98 117.15 1pus s PHE 115 Ca -0.04 0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 55.59 1pus s PHE 115 Cb 0.14 -2.97 -0.06 0.00 -1.21 0.00 0.00 43.02 38.92 1pus s PHE 115 CO 0.74 -1.29 1.33 -1.25 -1.34 0.00 0.00 175.22 173.42 1pus s PRO 116 N -5.02 4.33 0.31 1.99 0.04 -0.93 -4.48 135.00 131.25 1pus s PRO 116 Ca 0.61 1.93 0.23 0.00 0.04 0.00 0.00 61.00 63.80 1pus s PRO 116 Cb -0.09 -3.43 1.13 0.00 0.04 0.00 0.00 34.50 32.15 1pus s PRO 116 CO 0.42 -0.45 1.70 -0.35 0.04 0.00 0.00 177.00 178.36 1pus n PRO 117 N 4.63 0.17 0.00 0.56 -0.04 -1.26 -2.07 135.00 136.98 1pus n PRO 117 Ca 0.11 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1pus n PRO 117 Cb 0.44 -1.94 0.40 0.00 -0.04 0.00 0.00 33.50 32.35 1pus n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pus n ALA 118 N -1.79 1.85 -1.84 0.55 0.00 -1.26 -2.98 120.51 115.04 1pus n ALA 118 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1pus n ALA 118 Cb 0.11 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.39 1pus n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pus n ASN 119 N -1.48 2.77 0.06 0.00 5.03 -0.88 -4.79 115.26 115.98 1pus n ASN 119 Ca 0.05 -3.68 -0.11 0.00 0.87 0.00 0.00 54.58 51.71 1pus n ASN 119 Cb 0.21 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1pus n ASN 119 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1pus h GLU 120 N 1.46 0.38 -0.73 3.52 4.39 -1.70 -3.09 114.58 118.80 1pus h GLU 120 Ca 0.11 -0.35 0.16 0.00 0.34 0.00 0.00 59.36 59.62 1pus h GLU 120 Cb 1.25 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.87 1pus h GLU 120 CO 0.27 1.01 0.20 -1.35 -1.16 0.00 0.00 179.01 177.97 1pus h PRO 121 N 0.24 0.29 0.02 2.33 0.11 -1.87 1.64 132.00 134.75 1pus h PRO 121 Ca -0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1pus h PRO 121 Cb 1.41 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1pus h PRO 121 CO 0.14 0.19 -0.01 0.28 -0.21 0.00 0.00 178.00 178.39 1pus h VAL 122 N 0.29 1.48 -0.28 3.15 2.07 -1.96 -3.33 116.25 117.66 1pus h VAL 122 Ca 0.41 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1pus h VAL 122 Cb 0.69 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1pus h VAL 122 CO -0.49 0.47 -0.09 0.40 0.02 0.00 0.00 177.57 177.88 1pus h ILE 123 N -0.90 1.21 -0.57 4.57 1.08 -1.41 -2.51 117.51 118.98 1pus h ILE 123 Ca -0.00 -0.91 0.14 0.00 -0.39 0.00 0.00 64.86 63.70 1pus h ILE 123 Cb 0.78 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1pus h ILE 123 CO 0.00 0.30 0.40 0.00 -0.69 0.00 0.00 178.15 178.16 1pus h ALA 124 N 1.48 2.37 0.18 1.87 0.00 0.23 1.51 119.26 126.90 1pus h ALA 124 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pus h ALA 124 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pus h ALA 124 CO 0.02 -0.52 -0.09 -0.22 0.00 0.00 0.00 179.25 178.44 1pus h LYS 125 N 0.12 -0.24 0.00 0.00 1.63 -1.56 -3.15 116.57 113.38 1pus h LYS 125 Ca 0.27 0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.89 1pus h LYS 125 Cb 0.91 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.56 1pus h LYS 125 CO -0.03 0.16 -0.94 1.37 -3.45 0.00 0.00 179.45 176.56 1pus h LEU 126 N -0.75 0.00 -0.82 5.20 -0.00 -1.47 -3.29 115.31 114.18 1pus h LEU 126 Ca -0.03 -0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1pus h LEU 126 Cb 0.51 -0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.09 1pus h LEU 126 CO 0.04 0.94 0.46 0.50 -0.00 0.00 0.00 178.44 180.38 1pus h LYS 127 N 0.00 0.73 0.00 0.17 3.64 0.20 0.90 116.57 122.21 1pus h LYS 127 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pus h LYS 127 Cb 1.66 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1pus h LYS 127 CO 0.12 0.48 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1pus n ARG 128 N -4.77 0.02 -0.24 1.90 0.63 -1.19 -4.80 116.66 108.21 1pus n ARG 128 Ca 0.14 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1pus n ARG 128 Cb 0.30 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40