#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 4.54 -0.01 3.17 2.20 -0.94 -4.98 119.74 123.72 1pus s LYS 2 Ca 0.00 1.74 -0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1pus s LYS 2 Cb 0.00 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1pus s LYS 2 CO 0.00 -0.03 0.02 0.15 -0.36 0.00 0.00 175.35 175.12 1pus s LYS 3 N 0.03 -0.02 -0.07 4.03 1.02 -1.26 -0.81 119.74 122.65 1pus s LYS 3 Ca 0.52 0.09 -0.08 0.00 0.02 0.00 0.00 55.97 56.53 1pus s LYS 3 Cb -0.30 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 1pus s LYS 3 CO 0.34 -0.08 0.21 -0.48 -0.92 0.00 0.00 175.35 174.42 1pus s LEU 4 N 0.54 1.19 0.08 3.17 2.34 0.21 -4.89 118.68 121.32 1pus s LEU 4 Ca -0.04 0.38 0.03 0.00 0.06 0.00 0.00 54.13 54.55 1pus s LEU 4 Cb -0.06 0.76 -0.04 0.00 -0.56 0.00 0.00 46.19 46.28 1pus s LEU 4 CO -0.01 -0.11 0.06 -1.10 -1.06 0.00 0.00 176.35 174.13 1pus s GLN 5 N -0.05 2.81 -0.15 1.48 -0.21 -1.26 -2.11 119.66 120.17 1pus s GLN 5 Ca -0.02 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.61 1pus s GLN 5 Cb -0.02 -2.69 0.07 0.00 1.00 0.00 0.00 33.01 31.37 1pus s GLN 5 CO 0.01 0.56 0.25 0.96 -2.12 0.00 0.00 175.29 174.95 1pus s ILE 6 N -1.37 -0.39 -0.04 1.08 -0.00 0.11 -3.68 121.20 116.91 1pus s ILE 6 Ca 0.28 0.16 0.05 0.00 -0.00 0.00 0.00 60.65 61.14 1pus s ILE 6 Cb -0.12 -0.51 -0.01 0.00 -0.00 0.00 0.00 42.46 41.82 1pus s ILE 6 CO 0.21 0.02 -0.19 0.00 -0.00 0.00 0.00 174.94 174.98 1pus s ALA 7 N 2.39 1.63 0.12 2.27 0.00 -1.26 -1.24 121.76 125.67 1pus s ALA 7 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1pus s ALA 7 Cb -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1pus s ALA 7 CO -0.10 0.31 0.16 0.14 0.00 0.00 0.00 175.76 176.27 1pus s VAL 8 N -0.05 0.12 -0.04 0.00 -7.23 0.34 -1.41 120.40 112.13 1pus s VAL 8 Ca -0.03 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1pus s VAL 8 Cb -0.11 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1pus s VAL 8 CO 0.02 -0.53 0.07 -0.83 -0.31 0.00 0.00 175.10 173.52 1pus s GLY 9 N -2.95 0.05 -0.42 2.32 0.00 -0.63 0.10 107.32 105.79 1pus s GLY 9 Ca 0.14 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 45.01 1pus s GLY 9 CO -0.04 0.78 1.60 -0.26 0.00 0.00 0.00 173.10 175.18 1pus s ILE 10 N 1.08 3.68 0.01 0.90 -4.36 -0.80 -4.37 121.20 117.34 1pus s ILE 10 Ca -0.09 0.66 -0.30 0.00 -0.26 0.00 0.00 60.65 60.66 1pus s ILE 10 Cb -0.12 -3.99 -0.06 0.00 1.25 0.00 0.00 42.46 39.54 1pus s ILE 10 CO -0.04 -0.69 1.38 -0.63 0.24 0.00 0.00 174.94 175.20 1pus s ILE 11 N 6.40 3.71 -0.12 8.37 1.01 -1.26 -2.98 121.20 136.33 1pus s ILE 11 Ca 0.68 1.12 -0.22 0.00 0.00 0.00 0.00 60.65 62.23 1pus s ILE 11 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1pus s ILE 11 CO 0.31 0.01 0.67 -0.13 0.00 0.00 0.00 174.94 175.80 1pus s ARG 12 N 2.17 4.34 0.27 2.79 1.81 -1.25 -1.64 118.95 127.43 1pus s ARG 12 Ca 0.63 0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 55.36 1pus s ARG 12 Cb -0.32 -3.50 0.07 0.00 -0.45 0.00 0.00 34.95 30.75 1pus s ARG 12 CO 0.27 -0.06 0.24 -1.71 -0.68 0.00 0.00 175.30 173.35 1pus n ASN 13 N 4.33 -1.24 0.02 0.23 2.85 0.64 -3.07 115.26 119.02 1pus n ASN 13 Ca -0.01 -0.64 0.05 0.00 -0.11 0.00 0.00 54.58 53.86 1pus n ASN 13 Cb 0.51 -0.22 0.21 0.00 1.24 0.00 0.00 39.78 41.52 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1pus n GLU 14 N -2.22 0.02 0.00 1.20 0.00 -1.26 -4.50 120.64 113.88 1pus n GLU 14 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1pus n GLU 14 Cb 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.01 1pus n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1pus n ASN 15 N -1.61 0.00 -0.31 4.31 4.05 -1.26 -5.04 115.26 115.40 1pus n ASN 15 Ca 0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.05 1pus n ASN 15 Cb 0.09 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.10 1pus n ASN 15 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1pus n ASN 16 N -0.77 0.00 -4.96 1.20 3.02 -1.26 -5.11 115.26 107.38 1pus n ASN 16 Ca 0.00 -1.31 -0.21 0.00 -0.03 0.00 0.00 54.58 53.03 1pus n ASN 16 Cb 0.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1pus n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pus s GLU 17 N 0.00 3.35 -0.02 3.52 2.02 -1.26 -4.24 118.70 122.08 1pus s GLU 17 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1pus s GLU 17 Cb 0.00 -2.85 -0.00 0.00 0.10 0.00 0.00 34.13 31.38 1pus s GLU 17 CO 0.00 0.39 -0.12 0.42 0.02 0.00 0.00 175.26 175.97 1pus s ILE 18 N -2.02 0.95 -0.33 -1.63 1.09 0.38 0.24 121.20 119.89 1pus s ILE 18 Ca 0.35 -0.49 -0.24 0.00 -1.10 0.00 0.00 60.65 59.17 1pus s ILE 18 Cb -0.09 -0.81 0.01 0.00 -1.06 0.00 0.00 42.46 40.50 1pus s ILE 18 CO 0.29 0.28 0.83 0.12 -0.10 0.00 0.00 174.94 176.35 1pus s PHE 19 N -0.10 3.16 -0.18 3.97 2.19 -0.65 -1.88 117.98 124.49 1pus s PHE 19 Ca 0.01 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.05 1pus s PHE 19 Cb -0.07 -3.36 0.02 0.00 -1.31 0.00 0.00 43.02 38.30 1pus s PHE 19 CO 0.00 -0.66 -0.18 0.96 1.83 0.00 0.00 175.22 177.17 1pus s ILE 20 N 3.12 2.21 -0.21 3.12 -4.36 -1.19 -4.14 121.20 119.75 1pus s ILE 20 Ca 0.34 -0.89 -0.29 0.00 -0.26 0.00 0.00 60.65 59.55 1pus s ILE 20 Cb -0.13 -1.94 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1pus s ILE 20 CO 0.15 0.53 1.54 0.42 0.24 0.00 0.00 174.94 177.82 1pus s THR 21 N 1.30 3.80 0.45 8.37 -4.23 -0.46 -3.90 115.64 120.98 1pus s THR 21 Ca 0.05 0.91 0.07 0.00 -1.18 0.00 0.00 61.69 61.55 1pus s THR 21 Cb -0.13 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 1pus s THR 21 CO -0.12 -0.28 0.42 0.00 -0.54 0.00 0.00 174.62 174.10 1pus s ARG 22 N 4.42 2.46 -0.77 3.99 1.70 -1.24 -1.28 118.95 128.23 1pus s ARG 22 Ca 0.68 -1.64 -0.08 0.00 -0.47 0.00 0.00 55.73 54.22 1pus s ARG 22 Cb -0.24 -2.34 -0.07 0.00 -0.57 0.00 0.00 34.95 31.72 1pus s ARG 22 CO 0.27 -0.33 1.94 0.54 -1.08 0.00 0.00 175.30 176.64 1pus n ARG 23 N -1.65 1.71 0.00 3.89 1.74 -1.26 -4.43 116.66 116.66 1pus n ARG 23 Ca 0.04 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 1pus n ARG 23 Cb 0.62 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1pus n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pus n ALA 24 N 4.98 0.00 0.09 7.54 0.00 -1.26 -4.14 120.51 127.72 1pus n ALA 24 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1pus n ALA 24 Cb 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.31 0.17 -2.05 0.00 0.00 -1.92 -3.47 119.26 111.68 1pus h ALA 25 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 1pus h ALA 25 Cb 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.55 1pus h ALA 25 CO 0.00 1.05 0.08 0.16 0.00 0.00 0.00 179.25 180.55 1pus s ASP 26 N -7.03 -0.77 0.00 0.00 1.47 -1.26 -5.02 116.67 104.07 1pus s ASP 26 Ca -0.03 1.42 0.00 0.00 1.18 0.00 0.00 52.55 55.12 1pus s ASP 26 Cb 0.08 1.41 0.00 0.00 -0.34 0.00 0.00 42.92 44.07 1pus s ASP 26 CO 0.87 -0.24 0.00 0.00 0.68 0.00 0.00 175.17 176.48 1pus n ALA 27 N 3.02 0.00 0.08 2.11 0.00 -1.26 -5.09 120.51 119.37 1pus n ALA 27 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pus n ALA 27 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1pus n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pus n HIS 28 N -1.22 -2.39 -3.49 0.00 -0.00 -1.26 -5.02 115.22 101.83 1pus n HIS 28 Ca 0.00 0.45 -0.39 0.00 0.46 0.00 0.00 57.72 58.23 1pus n HIS 28 Cb 0.00 1.34 -0.04 0.00 -0.12 0.00 0.00 29.99 31.17 1pus n HIS 28 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1pus n MET 29 N -2.87 3.06 0.00 1.57 0.00 -1.26 -4.84 117.12 112.77 1pus n MET 29 Ca 0.00 -4.48 0.09 0.00 -0.00 0.00 0.00 57.70 53.31 1pus n MET 29 Cb 0.00 -2.46 0.42 0.00 0.00 0.00 0.00 33.22 31.18 1pus n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pus n ALA 30 N 2.35 1.90 -0.73 -5.12 0.00 -1.26 -2.82 120.51 114.83 1pus n ALA 30 Ca 0.23 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1pus n ALA 30 Cb 0.38 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.45 4.07 -0.89 0.00 4.13 -1.26 -4.19 115.26 115.68 1pus n ASN 31 Ca 0.06 -3.12 0.02 0.00 1.68 0.00 0.00 54.58 53.21 1pus n ASN 31 Cb 0.20 -0.73 0.21 0.00 -1.54 0.00 0.00 39.78 37.92 1pus n ASN 31 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pus n LYS 32 N -0.37 1.99 -1.50 3.52 5.02 -1.00 -3.03 118.16 122.80 1pus n LYS 32 Ca 0.40 -3.04 -0.58 0.00 -2.02 0.00 0.00 58.31 53.07 1pus n LYS 32 Cb 1.31 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.47 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pus n LEU 33 N -1.02 1.68 0.00 -0.35 0.00 -0.56 -4.56 117.00 112.19 1pus n LEU 33 Ca 0.27 0.78 -0.05 0.00 0.00 0.00 0.00 56.01 57.00 1pus n LEU 33 Cb 0.91 -1.07 -0.01 0.00 0.00 0.00 0.00 43.42 43.25 1pus n LEU 33 CO 0.13 -0.67 -0.04 1.21 0.00 0.00 0.00 177.39 178.03 1pus n GLU 34 N 6.66 1.37 -4.57 1.96 4.07 -0.40 -4.16 120.64 125.58 1pus n GLU 34 Ca 0.40 -0.62 -0.27 0.00 -0.06 0.00 0.00 57.16 56.61 1pus n GLU 34 Cb 0.08 0.24 -0.11 0.00 -0.06 0.00 0.00 31.44 31.60 1pus n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1pus s PHE 35 N -1.54 2.50 0.72 4.31 0.40 -1.26 -1.35 117.98 121.76 1pus s PHE 35 Ca 0.02 -0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 1pus s PHE 35 Cb 0.00 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 41.89 1pus s PHE 35 CO 0.01 0.47 1.08 -1.25 0.70 0.00 0.00 175.22 176.24 1pus s PRO 36 N -3.70 2.46 0.00 0.24 0.04 -1.26 -4.53 135.00 128.25 1pus s PRO 36 Ca 0.35 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1pus s PRO 36 Cb 0.07 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1pus s PRO 36 CO 0.18 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1pus n GLY 37 N -3.04 0.35 3.39 0.56 0.00 -1.26 -1.61 105.19 103.59 1pus n GLY 37 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1pus n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pus n GLY 38 N -1.76 -2.50 2.47 -0.02 0.00 -0.50 -3.74 105.19 99.14 1pus n GLY 38 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1pus n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pus n LYS 39 N -4.94 -0.24 0.13 1.61 4.81 -1.26 -4.86 118.16 113.41 1pus n LYS 39 Ca 0.04 0.06 0.18 0.00 -0.87 0.00 0.00 58.31 57.72 1pus n LYS 39 Cb 0.55 -3.19 0.77 0.00 0.02 0.00 0.00 35.03 33.18 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 0.53 -0.69 3.15 3.07 -1.79 -2.41 117.51 119.37 1pus h ILE 40 Ca 0.00 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.48 1pus h ILE 40 Cb 0.12 0.77 -0.10 0.00 -0.27 0.00 0.00 36.82 37.34 1pus h ILE 40 CO 0.00 0.00 -0.57 1.05 -1.05 0.00 0.00 178.15 177.58 1pus h GLU 41 N 0.00 -0.19 0.00 0.16 -0.00 -1.90 -3.31 114.58 109.34 1pus h GLU 41 Ca 0.15 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 1pus h GLU 41 Cb 0.74 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.53 1pus h GLU 41 CO -0.00 -0.13 0.00 -1.33 -0.00 0.00 0.00 179.01 177.55 1pus n MET 42 N -5.27 0.00 0.00 1.06 2.81 -0.91 -3.87 117.12 110.94 1pus n MET 42 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1pus n MET 42 Cb 0.30 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.81 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 0.00 1.92 3.03 0.00 -1.25 -5.16 105.19 103.74 1pus n GLY 43 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -3.75 1.61 4.71 -1.25 -5.09 120.64 116.87 1pus n GLU 44 Ca 0.00 -1.26 -0.28 0.00 -0.01 0.00 0.00 57.16 55.62 1pus n GLU 44 Cb 0.00 -0.43 -0.03 0.00 -1.01 0.00 0.00 31.44 29.97 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 -1.70 5.23 0.60 2.62 2.01 -1.26 -4.77 115.64 118.38 1pus s THR 45 Ca 0.34 -0.40 0.27 0.00 0.31 0.00 0.00 61.69 62.21 1pus s THR 45 Cb -0.02 -3.72 0.39 0.00 0.01 0.00 0.00 72.50 69.16 1pus s THR 45 CO 0.23 -0.13 1.49 1.55 -0.69 0.00 0.00 174.62 177.07 1pus h PRO 46 N 2.13 0.00 0.00 4.92 0.13 -1.99 1.16 132.00 138.35 1pus h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1pus h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1pus h PRO 46 CO 0.69 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.66 1pus n GLU 47 N -3.37 0.52 0.00 0.86 1.02 -1.26 -4.45 120.64 113.96 1pus n GLU 47 Ca 0.18 0.12 0.15 0.00 -0.02 0.00 0.00 57.16 57.60 1pus n GLU 47 Cb 1.26 -1.41 0.78 0.00 -0.02 0.00 0.00 31.44 32.04 1pus n GLU 47 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pus n GLN 48 N -3.14 0.52 0.38 3.49 6.02 -0.05 -3.41 117.38 121.18 1pus n GLN 48 Ca -0.37 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.43 1pus n GLN 48 Cb 0.89 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.56 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pus h ALA 49 N 3.51 -0.93 0.07 -1.58 0.00 0.11 -0.06 119.26 120.38 1pus h ALA 49 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1pus h ALA 49 Cb 0.25 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1pus h ALA 49 CO 0.00 -1.00 -0.54 -0.39 0.00 0.00 0.00 179.25 177.32 1pus h VAL 50 N -0.98 1.56 -0.79 0.00 -1.51 -1.82 -2.28 116.25 110.43 1pus h VAL 50 Ca -0.10 -2.33 0.09 0.00 -1.23 0.00 0.00 66.70 63.13 1pus h VAL 50 Cb 0.73 3.07 -0.05 0.00 -2.13 0.00 0.00 31.29 32.91 1pus h VAL 50 CO 0.16 0.65 0.52 0.58 -1.23 0.00 0.00 177.57 178.24 1pus h VAL 51 N -0.47 0.96 0.00 7.19 2.07 -1.64 1.58 116.25 125.94 1pus h VAL 51 Ca -0.09 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pus h VAL 51 Cb 1.37 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1pus h VAL 51 CO 0.10 0.14 -0.03 -0.09 0.02 0.00 0.00 177.57 177.71 1pus h ARG 52 N 0.74 0.01 0.00 1.57 2.43 -1.09 -3.22 114.38 114.82 1pus h ARG 52 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1pus h ARG 52 Cb 0.42 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1pus h ARG 52 CO -0.14 0.91 0.00 0.93 -1.51 0.00 0.00 179.97 180.16 1pus h GLU 53 N -0.87 0.00 -0.63 0.20 4.39 -0.98 -2.75 114.58 113.93 1pus h GLU 53 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1pus h GLU 53 Cb 0.92 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 1pus h GLU 53 CO 0.01 0.00 0.34 1.25 -1.16 0.00 0.00 179.01 179.44 1pus h LEU 54 N 0.00 0.49 -0.91 1.33 5.85 0.23 1.17 115.31 123.47 1pus h LEU 54 Ca 0.00 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1pus h LEU 54 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1pus h LEU 54 CO 0.00 0.32 -0.47 1.56 -0.34 0.00 0.00 178.44 179.50 1pus h GLN 55 N 0.62 0.17 0.01 1.25 7.50 -1.61 0.58 115.11 123.64 1pus h GLN 55 Ca 0.29 -0.09 -0.20 0.00 0.50 0.00 0.00 58.65 59.15 1pus h GLN 55 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1pus h GLN 55 CO -0.19 0.61 -0.91 1.49 -1.50 0.00 0.00 178.83 178.33 1pus h GLU 56 N 0.14 0.07 -0.25 1.46 4.81 -1.15 0.20 114.58 119.87 1pus h GLU 56 Ca 0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1pus h GLU 56 Cb 0.89 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1pus h GLU 56 CO 0.07 0.93 0.00 0.39 -0.73 0.00 0.00 179.01 179.67 1pus n GLU 57 N -3.53 1.98 0.00 1.92 4.71 0.39 0.12 120.64 126.22 1pus n GLU 57 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.32 1pus n GLU 57 Cb 0.85 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.96 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 0.81 0.00 0.00 2.62 0.31 0.20 -4.05 118.33 118.22 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 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 2.01 0.55 3.14 2.92 0.00 0.71 0.13 105.19 114.65 1pus n GLY 59 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1pus n GLY 59 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pus n ILE 60 N 0.00 0.00 -3.63 -0.61 0.13 -1.26 -4.87 119.36 109.12 1pus n ILE 60 Ca 0.00 -0.72 -0.39 0.00 -1.10 0.00 0.00 62.75 60.54 1pus n ILE 60 Cb 0.00 -1.50 -0.08 0.00 -0.84 0.00 0.00 39.64 37.22 1pus n ILE 60 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1pus s THR 61 N -3.24 4.20 -0.01 9.51 -4.23 -1.26 -4.90 115.64 115.71 1pus s THR 61 Ca 0.62 -2.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.15 1pus s THR 61 Cb -0.03 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1pus s THR 61 CO 0.44 -0.94 -0.01 -2.16 -0.54 0.00 0.00 174.62 171.41 1pus s PRO 62 N -0.20 2.77 -1.24 3.99 0.04 -1.26 -3.28 135.00 135.82 1pus s PRO 62 Ca 0.19 -0.61 -0.20 0.00 0.04 0.00 0.00 61.00 60.42 1pus s PRO 62 Cb -0.17 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1pus s PRO 62 CO -0.05 0.63 1.85 1.04 0.04 0.00 0.00 177.00 180.51 1pus n GLN 63 N 1.51 2.38 -4.27 4.56 6.02 0.22 -4.83 117.38 122.97 1pus n GLN 63 Ca -0.15 -2.83 -0.31 0.00 -0.01 0.00 0.00 57.00 53.70 1pus n GLN 63 Cb 0.53 -3.59 -0.16 0.00 1.02 0.00 0.00 30.24 28.03 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 7.49 2.30 -0.27 1.08 2.46 -1.25 0.11 115.29 127.21 1pus s HIS 64 Ca 0.61 -1.23 -0.38 0.00 0.47 0.00 0.00 55.06 54.53 1pus s HIS 64 Cb 0.02 -1.64 0.16 0.00 -0.13 0.00 0.00 32.58 30.99 1pus s HIS 64 CO 0.10 -0.63 1.38 0.12 -2.47 0.00 0.00 174.74 173.25 1pus s PHE 65 N 1.20 -0.01 0.08 3.88 5.36 -0.96 -4.94 117.98 122.60 1pus s PHE 65 Ca -0.00 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1pus s PHE 65 Cb -0.14 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1pus s PHE 65 CO -0.07 -0.03 0.00 0.45 -1.46 0.00 0.00 175.22 174.11 1pus n SER 66 N -0.06 -1.29 -4.23 6.13 2.88 -1.25 -4.21 113.62 111.58 1pus n SER 66 Ca 0.04 0.18 -0.32 0.00 -1.33 0.00 0.00 58.87 57.44 1pus n SER 66 Cb 0.57 -0.73 -0.17 0.00 -0.75 0.00 0.00 64.21 63.13 1pus n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1pus s LEU 67 N -5.09 2.14 0.03 2.46 0.05 -1.26 0.16 118.68 117.17 1pus s LEU 67 Ca 0.00 -0.54 -0.17 0.00 0.05 0.00 0.00 54.13 53.47 1pus s LEU 67 Cb 0.00 -1.42 -0.30 0.00 -2.05 0.00 0.00 46.19 42.42 1pus s LEU 67 CO 0.00 0.16 1.05 2.19 -0.55 0.00 0.00 176.35 179.21 1pus h PHE 68 N 6.70 0.89 -1.43 3.48 -5.15 -1.78 -3.42 116.94 116.23 1pus h PHE 68 Ca -0.20 -0.57 0.13 0.00 -0.20 0.00 0.00 57.97 57.13 1pus h PHE 68 Cb 1.24 -0.07 -0.28 0.00 0.22 0.00 0.00 35.95 37.06 1pus h PHE 68 CO 0.47 1.42 0.48 -1.21 -2.00 0.00 0.00 178.31 177.48 1pus s GLU 69 N -2.87 0.32 -0.02 6.09 2.02 -1.19 -5.01 118.70 118.03 1pus s GLU 69 Ca -0.11 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1pus s GLU 69 Cb 0.04 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1pus s GLU 69 CO 0.90 -0.06 0.01 -1.59 0.02 0.00 0.00 175.26 174.55 1pus s LYS 70 N 1.08 0.06 0.13 1.61 -2.85 -1.26 -3.47 119.74 115.04 1pus s LYS 70 Ca -0.07 0.11 0.09 0.00 -1.00 0.00 0.00 55.97 55.10 1pus s LYS 70 Cb -0.04 -0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 1pus s LYS 70 CO -0.13 -0.11 -0.22 -0.48 0.10 0.00 0.00 175.35 174.51 1pus s LEU 71 N 0.76 2.34 -0.06 2.77 -0.00 -1.03 -4.94 118.68 118.52 1pus s LEU 71 Ca -0.07 -0.75 0.05 0.00 -0.00 0.00 0.00 54.13 53.36 1pus s LEU 71 Cb -0.10 -0.98 -0.01 0.00 -0.00 0.00 0.00 46.19 45.11 1pus s LEU 71 CO -0.02 0.07 -0.23 -0.70 -0.00 0.00 0.00 176.35 175.48 1pus s GLU 72 N -2.18 2.47 0.00 1.48 2.12 -1.26 -2.76 118.70 118.57 1pus s GLU 72 Ca 0.11 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 1pus s GLU 72 Cb -0.09 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 1pus s GLU 72 CO 0.06 0.29 0.02 1.52 -0.54 0.00 0.00 175.26 176.61 1pus s TYR 73 N 0.02 0.11 -0.12 5.30 1.13 -1.17 -4.98 117.35 117.64 1pus s TYR 73 Ca -0.07 -0.22 0.03 0.00 -1.41 0.00 0.00 57.07 55.40 1pus s TYR 73 Cb -0.14 -0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.64 1pus s TYR 73 CO 0.05 -0.13 -0.21 -1.83 -2.51 0.00 0.00 175.55 170.91 1pus s GLU 74 N -0.83 2.86 0.56 -3.49 -1.05 -1.26 -2.03 118.70 113.45 1pus s GLU 74 Ca -0.09 -0.80 -0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1pus s GLU 74 Cb -0.06 -2.29 -0.01 0.00 -0.44 0.00 0.00 34.13 31.34 1pus s GLU 74 CO -0.00 0.02 0.87 -0.06 0.95 0.00 0.00 175.26 177.04 1pus s PHE 75 N 0.73 3.37 -0.78 4.83 0.08 0.37 -4.90 117.98 121.68 1pus s PHE 75 Ca -0.10 0.72 -0.19 0.00 0.12 0.00 0.00 56.93 57.48 1pus s PHE 75 Cb -0.16 -2.60 -0.18 0.00 -0.57 0.00 0.00 43.02 39.52 1pus s PHE 75 CO 0.01 -0.64 1.91 -0.35 -0.10 0.00 0.00 175.22 176.05 1pus n PRO 76 N -2.48 0.14 -0.34 0.24 -0.04 -1.26 0.20 135.00 131.45 1pus n PRO 76 Ca 0.03 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1pus n PRO 76 Cb 0.57 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1pus n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pus n ASP 77 N 15.28 -0.98 -3.55 3.54 -0.08 -1.26 -5.03 116.55 124.46 1pus n ASP 77 Ca 0.34 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.33 1pus n ASP 77 Cb 0.45 -0.16 -0.13 0.00 2.34 0.00 0.00 41.12 43.61 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1pus s ARG 78 N -0.66 0.59 -0.66 -0.67 3.52 0.13 -2.21 118.95 118.99 1pus s ARG 78 Ca 0.00 -1.20 -0.26 0.00 -0.13 0.00 0.00 55.73 54.14 1pus s ARG 78 Cb 0.00 -1.51 0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1pus s ARG 78 CO 0.00 -1.13 1.16 -1.01 -0.81 0.00 0.00 175.30 173.51 1pus s HIS 79 N 1.29 2.50 -0.34 5.12 3.76 0.01 0.14 115.29 127.76 1pus s HIS 79 Ca 0.15 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.95 1pus s HIS 79 Cb -0.21 -4.47 0.02 0.00 1.11 0.00 0.00 32.58 29.04 1pus s HIS 79 CO -0.12 -1.79 0.15 -1.50 -0.85 0.00 0.00 174.74 170.64 1pus s ILE 80 N 5.01 4.28 -0.29 0.60 2.07 -0.86 0.64 121.20 132.65 1pus s ILE 80 Ca 0.34 -0.83 -0.18 0.00 -1.41 0.00 0.00 60.65 58.57 1pus s ILE 80 Cb -0.10 -3.34 -0.02 0.00 0.13 0.00 0.00 42.46 39.13 1pus s ILE 80 CO 0.17 -0.12 0.52 0.42 -1.91 0.00 0.00 174.94 174.02 1pus s THR 81 N 1.52 5.04 -0.31 4.00 -4.23 -0.90 -3.02 115.64 117.75 1pus s THR 81 Ca 0.02 0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1pus s THR 81 Cb -0.19 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.79 1pus s THR 81 CO 0.05 -0.01 0.09 -0.22 -0.54 0.00 0.00 174.62 173.99 1pus s LEU 82 N 2.36 3.96 -0.20 4.79 2.96 -1.11 0.05 118.68 131.49 1pus s LEU 82 Ca 0.21 -0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1pus s LEU 82 Cb -0.15 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1pus s LEU 82 CO 0.11 -0.22 -0.06 0.26 -1.32 0.00 0.00 176.35 175.12 1pus s TRP 83 N 1.50 2.94 -0.34 5.38 0.52 -0.37 -2.48 118.94 126.08 1pus s TRP 83 Ca 0.02 -0.86 -0.06 0.00 0.02 0.00 0.00 56.10 55.22 1pus s TRP 83 Cb -0.18 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.14 1pus s TRP 83 CO 0.03 -0.47 0.10 -0.06 0.02 0.00 0.00 176.95 176.58 1pus s PHE 84 N 1.23 3.26 0.11 -1.98 0.40 -1.23 0.12 117.98 119.90 1pus s PHE 84 Ca 0.03 -1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 54.83 1pus s PHE 84 Cb -0.14 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.03 1pus s PHE 84 CO -0.02 -0.74 0.36 -1.58 0.70 0.00 0.00 175.22 173.94 1pus s TRP 85 N 1.39 3.50 0.07 0.36 0.52 0.29 -3.02 118.94 122.05 1pus s TRP 85 Ca -0.02 0.57 -0.22 0.00 0.02 0.00 0.00 56.10 56.46 1pus s TRP 85 Cb -0.20 -2.01 -0.07 0.00 -1.15 0.00 0.00 33.47 30.05 1pus s TRP 85 CO 0.02 0.47 0.65 -0.48 0.02 0.00 0.00 176.95 177.64 1pus s LEU 86 N -2.44 4.51 0.05 2.99 0.05 0.41 -1.91 118.68 122.35 1pus s LEU 86 Ca 0.38 1.36 0.08 0.00 0.05 0.00 0.00 54.13 56.00 1pus s LEU 86 Cb -0.13 -3.05 -0.03 0.00 -2.05 0.00 0.00 46.19 40.94 1pus s LEU 86 CO 0.23 0.19 -0.22 -0.69 -0.55 0.00 0.00 176.35 175.30 1pus s VAL 87 N -0.77 1.78 -0.11 1.48 1.01 -1.16 -2.26 120.40 120.37 1pus s VAL 87 Ca 0.32 -1.29 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1pus s VAL 87 Cb -0.20 -1.55 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 1pus s VAL 87 CO 0.21 0.20 0.03 -0.62 0.00 0.00 0.00 175.10 174.92 1pus n GLU 88 N 1.72 2.04 -3.63 2.72 1.02 0.30 -3.84 120.64 120.97 1pus n GLU 88 Ca -0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.89 1pus n GLU 88 Cb 0.53 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1pus s ARG 89 N -2.27 1.28 -0.21 3.49 6.06 0.22 -4.60 118.95 122.92 1pus s ARG 89 Ca -0.07 -0.61 -0.12 0.00 -2.50 0.00 0.00 55.73 52.44 1pus s ARG 89 Cb 0.03 0.50 0.07 0.00 0.06 0.00 0.00 34.95 35.61 1pus s ARG 89 CO 0.45 -0.58 0.51 1.67 -2.50 0.00 0.00 175.30 174.86 1pus s TRP 90 N -3.53 -0.77 0.18 5.12 -2.14 -1.18 0.72 118.94 117.34 1pus s TRP 90 Ca 0.07 1.60 -0.31 0.00 2.66 0.00 0.00 56.10 60.13 1pus s TRP 90 Cb -0.02 0.40 -0.09 0.00 -3.10 0.00 0.00 33.47 30.66 1pus s TRP 90 CO -0.03 -0.41 1.38 -1.21 -2.66 0.00 0.00 176.95 174.02 1pus s GLU 91 N 1.47 4.33 2.22 3.25 2.02 -1.21 -4.69 118.70 126.09 1pus s GLU 91 Ca -0.10 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1pus s GLU 91 Cb -0.07 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1pus s GLU 91 CO -0.15 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1pus n GLY 92 N 2.82 1.08 2.97 -1.39 0.00 -1.26 -4.34 105.19 105.07 1pus n GLY 92 Ca 0.09 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 1pus n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pus s GLU 93 N 0.00 0.65 0.04 1.61 2.12 -1.26 -5.04 118.70 116.82 1pus s GLU 93 Ca 0.00 -0.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 1pus s GLU 93 Cb 0.00 -0.64 -0.05 0.00 0.26 0.00 0.00 34.13 33.70 1pus s GLU 93 CO 0.00 0.11 1.21 -2.14 -0.54 0.00 0.00 175.26 173.90 1pus s PRO 94 N 0.07 4.41 0.04 4.30 0.02 -1.26 -4.75 135.00 137.83 1pus s PRO 94 Ca -0.01 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 62.77 1pus s PRO 94 Cb -0.06 -3.40 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 1pus s PRO 94 CO -0.00 -0.31 -0.02 -2.67 -0.33 0.00 0.00 177.00 173.67 1pus n TRP 95 N 4.23 0.00 0.00 6.54 4.27 0.35 -4.88 117.44 127.95 1pus n TRP 95 Ca 0.10 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 1pus n TRP 95 Cb 0.46 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 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 3.31 0.61 0.00 -1.67 0.00 0.15 -4.27 105.19 103.32 1pus n GLY 96 Ca -0.01 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1pus n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pus n LYS 97 N 0.00 0.00 0.00 1.61 4.76 0.32 -4.71 118.16 120.14 1pus n LYS 97 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1pus n LYS 97 Cb 0.00 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.05 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1pus h GLU 98 N 0.00 0.10 0.00 1.97 -0.00 -1.77 -3.42 114.58 111.47 1pus h GLU 98 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 1pus h GLU 98 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 1pus h GLU 98 CO 0.00 0.79 0.00 0.41 -0.00 0.00 0.00 179.01 180.21 1pus n GLY 99 N 1.66 4.01 2.61 1.06 0.00 -1.26 -5.00 105.19 108.28 1pus n GLY 99 Ca -0.19 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 0.05 0.42 1.61 1.11 -1.26 -5.02 119.66 116.57 1pus s GLN 100 Ca 0.00 -0.04 -0.22 0.00 0.01 0.00 0.00 55.36 55.11 1pus s GLN 100 Cb 0.00 -1.73 -0.14 0.00 -1.01 0.00 0.00 33.01 30.14 1pus s GLN 100 CO 0.00 -0.64 0.35 -2.30 0.01 0.00 0.00 175.29 172.71 1pus n PRO 101 N 5.28 0.33 -4.57 2.91 -0.02 -1.26 -3.68 135.00 133.99 1pus n PRO 101 Ca -0.07 0.12 -0.27 0.00 -2.02 0.00 0.00 63.50 61.26 1pus n PRO 101 Cb 0.49 -1.31 -0.08 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.67 0.15 -1.23 0.00 -1.26 -3.65 107.32 103.01 1pus s GLY 102 Ca 0.62 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 44.28 1pus s GLY 102 CO 0.60 -1.93 -0.14 1.85 0.00 0.00 0.00 173.10 173.49 1pus s GLU 103 N -3.76 1.13 -0.54 2.90 2.56 -1.25 -4.94 118.70 114.80 1pus s GLU 103 Ca 0.21 -1.39 -0.28 0.00 0.00 0.00 0.00 54.97 53.51 1pus s GLU 103 Cb 0.03 -0.93 0.02 0.00 2.00 0.00 0.00 34.13 35.25 1pus s GLU 103 CO 0.12 0.16 1.30 -1.58 -0.56 0.00 0.00 175.26 174.70 1pus s TRP 104 N -2.61 2.49 0.32 5.30 0.51 -1.26 -3.20 118.94 120.49 1pus s TRP 104 Ca 0.15 0.51 0.10 0.00 -2.12 0.00 0.00 56.10 54.74 1pus s TRP 104 Cb -0.02 -4.44 -0.06 0.00 -0.81 0.00 0.00 33.47 28.14 1pus s TRP 104 CO 0.04 -1.74 -0.13 0.00 -0.51 0.00 0.00 176.95 174.60 1pus s MET 105 N 5.09 1.77 -0.29 4.98 0.23 -0.79 -4.90 119.30 125.39 1pus s MET 105 Ca 0.50 -1.87 -0.29 0.00 -1.03 0.00 0.00 55.69 52.99 1pus s MET 105 Cb -0.09 -1.73 -0.00 0.00 -1.53 0.00 0.00 34.83 31.47 1pus s MET 105 CO 0.27 0.21 1.34 -1.54 -2.03 0.00 0.00 175.02 173.28 1pus s SER 106 N -3.57 6.63 0.40 -1.18 1.04 -1.26 0.14 113.70 115.91 1pus s SER 106 Ca 0.32 1.26 0.24 0.00 0.48 0.00 0.00 55.95 58.25 1pus s SER 106 Cb -0.00 -2.54 0.53 0.00 0.10 0.00 0.00 66.02 64.10 1pus s SER 106 CO 0.16 -1.10 1.67 0.25 0.98 0.00 0.00 173.24 175.20 1pus h LEU 107 N 10.98 0.00 -1.83 2.42 7.12 -1.82 -3.25 115.31 128.94 1pus h LEU 107 Ca -0.27 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.74 1pus h LEU 107 Cb 1.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1pus h LEU 107 CO 1.03 0.00 0.27 0.58 -0.13 0.00 0.00 178.44 180.18 1pus h VAL 108 N 0.00 0.00 -1.25 1.05 2.07 -1.90 -2.69 116.25 113.53 1pus h VAL 108 Ca 0.00 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.13 1pus h VAL 108 Cb 0.90 0.61 -0.36 0.00 -1.52 0.00 0.00 31.29 30.92 1pus h VAL 108 CO 0.00 0.00 -1.06 0.61 0.02 0.00 0.00 177.57 177.14 1pus n GLY 109 N -1.22 2.31 3.74 2.17 0.00 -1.22 -4.86 105.19 106.09 1pus n GLY 109 Ca -0.02 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.76 3.58 -0.19 0.99 0.20 -1.02 -5.00 118.68 114.48 1pus s LEU 110 Ca 0.32 2.52 -0.05 0.00 0.69 0.00 0.00 54.13 57.60 1pus s LEU 110 Cb 0.39 -4.61 -0.03 0.00 -0.43 0.00 0.00 46.19 41.52 1pus s LEU 110 CO -0.03 -1.90 0.01 0.20 -0.29 0.00 0.00 176.35 174.34 1pus s ASN 111 N -1.52 4.94 0.27 3.68 -0.87 -1.26 -4.97 114.94 115.22 1pus s ASN 111 Ca 0.80 -0.15 0.25 0.00 -1.57 0.00 0.00 52.86 52.19 1pus s ASN 111 Cb -0.34 -1.84 0.96 0.00 -0.02 0.00 0.00 41.25 40.01 1pus s ASN 111 CO 0.38 0.09 1.75 0.00 -2.57 0.00 0.00 177.10 176.75 1pus h ALA 112 N 7.29 1.00 0.01 0.60 0.00 -1.94 -3.02 119.26 123.20 1pus h ALA 112 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1pus h ALA 112 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pus h ALA 112 CO 0.62 0.00 -0.11 0.22 0.00 0.00 0.00 179.25 179.98 1pus h ASP 113 N 0.00 0.08 0.54 0.00 1.82 -1.95 -3.31 116.42 113.60 1pus h ASP 113 Ca 0.00 -0.90 -0.05 0.00 -0.39 0.00 0.00 57.03 55.69 1pus h ASP 113 Cb 0.47 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1pus h ASP 113 CO 0.00 0.97 -0.25 -2.24 -1.61 0.00 0.00 179.24 176.11 1pus h ASP 114 N -0.81 0.00 -1.90 2.28 2.03 -1.84 -3.44 116.42 112.74 1pus h ASP 114 Ca -0.02 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.85 1pus h ASP 114 Cb 1.00 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.51 1pus h ASP 114 CO 0.02 0.25 -0.25 0.72 -1.03 0.00 0.00 179.24 178.95 1pus s PHE 115 N -4.01 3.02 0.03 4.15 -0.71 -1.14 -1.49 117.98 117.83 1pus s PHE 115 Ca -0.02 -0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 55.38 1pus s PHE 115 Cb 0.13 -2.23 -0.06 0.00 -1.21 0.00 0.00 43.02 39.66 1pus s PHE 115 CO 0.65 -0.26 1.29 -1.25 -1.34 0.00 0.00 175.22 174.30 1pus s PRO 116 N -4.34 4.36 0.32 1.99 0.04 -1.17 -4.72 135.00 131.48 1pus s PRO 116 Ca 0.50 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.62 1pus s PRO 116 Cb -0.10 -3.43 1.15 0.00 0.04 0.00 0.00 34.50 32.17 1pus s PRO 116 CO 0.33 -0.41 1.69 -0.35 0.04 0.00 0.00 177.00 178.31 1pus n PRO 117 N 4.56 0.16 0.00 0.56 -0.04 -1.26 -1.98 135.00 137.00 1pus n PRO 117 Ca 0.11 0.59 0.08 0.00 -0.04 0.00 0.00 63.50 64.23 1pus n PRO 117 Cb 0.45 -1.95 0.34 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.73 -1.73 0.55 0.00 -1.26 -2.68 120.51 115.34 1pus n ALA 118 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1pus n ALA 118 Cb 0.09 -1.25 0.17 0.00 0.00 0.00 0.00 19.45 18.46 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 2.00 0.08 0.00 5.03 -0.83 -4.77 115.26 115.28 1pus n ASN 119 Ca 0.04 -3.73 -0.11 0.00 0.87 0.00 0.00 54.58 51.65 1pus n ASN 119 Cb 0.18 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.41 1pus n ASN 119 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1pus h GLU 120 N 1.14 0.29 -0.85 3.52 4.11 -1.68 -3.27 114.58 117.84 1pus h GLU 120 Ca 0.02 -0.32 0.22 0.00 0.07 0.00 0.00 59.36 59.35 1pus h GLU 120 Cb 1.13 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 1pus h GLU 120 CO 0.09 1.03 0.09 -1.35 0.07 0.00 0.00 179.01 178.94 1pus h PRO 121 N 0.16 0.12 0.03 1.06 0.11 -1.86 1.33 132.00 132.94 1pus h PRO 121 Ca -0.06 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.82 1pus h PRO 121 Cb 1.56 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.64 1pus h PRO 121 CO 0.15 0.08 -0.99 0.28 -0.21 0.00 0.00 178.00 177.31 1pus h VAL 122 N 0.12 1.48 -0.48 3.15 2.07 -1.94 -3.25 116.25 117.40 1pus h VAL 122 Ca 0.50 -2.72 -0.13 0.00 0.82 0.00 0.00 66.70 65.17 1pus h VAL 122 Cb 0.97 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1pus h VAL 122 CO -0.72 0.80 -0.22 0.40 0.02 0.00 0.00 177.57 177.85 1pus h ILE 123 N 0.13 1.27 -0.51 4.57 1.08 -0.56 -2.49 117.51 121.00 1pus h ILE 123 Ca -0.07 -1.38 0.15 0.00 -0.39 0.00 0.00 64.86 63.16 1pus h ILE 123 Cb 1.65 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 1pus h ILE 123 CO 0.16 0.48 0.39 0.00 -0.69 0.00 0.00 178.15 178.48 1pus h ALA 124 N 0.89 2.45 0.00 1.87 0.00 0.15 1.88 119.26 126.50 1pus h ALA 124 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pus h ALA 124 Cb 0.80 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pus h ALA 124 CO 0.07 -0.65 -0.03 0.87 0.00 0.00 0.00 179.25 179.51 1pus h LYS 125 N 0.00 0.00 0.00 0.00 1.79 -1.55 -3.08 116.57 113.73 1pus h LYS 125 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1pus h LYS 125 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1pus h LYS 125 CO -0.00 0.68 0.00 1.25 -1.08 0.00 0.00 179.45 180.30 1pus h LEU 126 N -1.00 0.00 0.11 2.94 5.85 -1.00 -3.23 115.31 118.97 1pus h LEU 126 Ca -0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1pus h LEU 126 Cb 0.69 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.74 1pus h LEU 126 CO -0.00 0.00 -0.95 0.50 -0.34 0.00 0.00 178.44 177.65 1pus h LYS 127 N 0.00 0.45 0.00 1.25 3.64 0.28 -3.07 116.57 119.12 1pus h LYS 127 Ca 0.00 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 1pus h LYS 127 Cb 0.91 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pus h LYS 127 CO 0.00 1.27 0.00 -2.13 -2.27 0.00 0.00 179.45 176.32 1pus n ARG 128 N -4.02 0.14 0.00 1.90 0.63 -1.16 -4.87 116.66 109.28 1pus n ARG 128 Ca -0.13 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1pus n ARG 128 Cb 0.86 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.27 1pus n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59