#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 4.61 -0.01 3.17 2.47 -1.05 -4.96 119.74 123.98 1pus s LYS 2 Ca 0.00 1.82 -0.00 0.00 -1.56 0.00 0.00 55.97 56.23 1pus s LYS 2 Cb 0.00 -3.19 0.01 0.00 -1.46 0.00 0.00 37.83 33.18 1pus s LYS 2 CO 0.00 0.16 0.01 0.15 0.16 0.00 0.00 175.35 175.83 1pus s LYS 3 N -1.29 -0.01 -0.10 4.03 1.02 -1.26 -0.80 119.74 121.33 1pus s LYS 3 Ca 0.46 0.04 -0.05 0.00 0.02 0.00 0.00 55.97 56.44 1pus s LYS 3 Cb -0.32 -0.05 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1pus s LYS 3 CO 0.41 -0.04 0.23 -0.48 -0.92 0.00 0.00 175.35 174.55 1pus s LEU 4 N 0.23 0.60 0.17 3.17 0.05 0.30 -4.88 118.68 118.32 1pus s LEU 4 Ca -0.02 0.48 0.04 0.00 0.05 0.00 0.00 54.13 54.68 1pus s LEU 4 Cb -0.03 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 1pus s LEU 4 CO -0.01 -0.15 0.22 -1.10 -0.55 0.00 0.00 176.35 174.76 1pus s GLN 5 N 1.03 3.17 -0.06 1.48 -0.21 -1.26 -1.82 119.66 121.98 1pus s GLN 5 Ca -0.07 -0.75 -0.05 0.00 0.02 0.00 0.00 55.36 54.50 1pus s GLN 5 Cb -0.09 -2.80 0.02 0.00 1.00 0.00 0.00 33.01 31.14 1pus s GLN 5 CO -0.07 0.49 0.17 0.42 -2.12 0.00 0.00 175.29 174.19 1pus s ILE 6 N -1.78 -0.01 -0.11 1.08 1.09 0.41 -3.84 121.20 118.04 1pus s ILE 6 Ca 0.33 0.04 0.02 0.00 -1.10 0.00 0.00 60.65 59.93 1pus s ILE 6 Cb -0.10 -0.25 0.01 0.00 -1.06 0.00 0.00 42.46 41.07 1pus s ILE 6 CO 0.26 0.01 -0.15 0.00 -0.10 0.00 0.00 174.94 174.97 1pus s ALA 7 N 0.32 1.68 0.14 9.38 0.00 -1.17 -1.29 121.76 130.82 1pus s ALA 7 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1pus s ALA 7 Cb -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1pus s ALA 7 CO -0.01 -0.09 -0.14 0.14 0.00 0.00 0.00 175.76 175.66 1pus s VAL 8 N 1.00 1.43 -0.18 0.00 -7.23 0.28 -3.82 120.40 111.89 1pus s VAL 8 Ca -0.06 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1pus s VAL 8 Cb -0.15 -1.66 0.07 0.00 0.56 0.00 0.00 36.38 35.20 1pus s VAL 8 CO -0.02 -0.45 0.41 -0.83 -0.31 0.00 0.00 175.10 173.90 1pus s GLY 9 N -2.64 -0.33 -0.54 2.32 0.00 -1.24 0.13 107.32 105.01 1pus s GLY 9 Ca 0.12 1.52 -0.28 0.00 0.00 0.00 0.00 44.72 46.08 1pus s GLY 9 CO 0.04 1.90 1.13 -0.26 0.00 0.00 0.00 173.10 175.90 1pus s ILE 10 N 1.75 4.14 -0.04 0.90 -4.36 -1.07 -4.65 121.20 117.88 1pus s ILE 10 Ca -0.07 0.94 -0.30 0.00 -0.26 0.00 0.00 60.65 60.95 1pus s ILE 10 Cb -0.09 -4.65 -0.05 0.00 1.25 0.00 0.00 42.46 38.92 1pus s ILE 10 CO -0.13 -1.18 1.41 0.27 0.24 0.00 0.00 174.94 175.55 1pus s ILE 11 N 4.61 3.83 -0.26 8.37 -4.36 -1.26 -2.83 121.20 129.30 1pus s ILE 11 Ca 0.43 1.14 -0.26 0.00 -0.26 0.00 0.00 60.65 61.69 1pus s ILE 11 Cb -0.08 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1pus s ILE 11 CO 0.27 -0.04 0.93 -0.13 0.24 0.00 0.00 174.94 176.21 1pus s ARG 12 N 2.87 4.16 0.28 0.37 1.81 -1.22 -2.39 118.95 124.83 1pus s ARG 12 Ca 0.63 1.04 -0.05 0.00 -1.72 0.00 0.00 55.73 55.64 1pus s ARG 12 Cb -0.30 -3.67 0.07 0.00 -0.45 0.00 0.00 34.95 30.60 1pus s ARG 12 CO 0.25 -0.63 0.30 -1.71 -0.68 0.00 0.00 175.30 172.82 1pus n ASN 13 N 6.26 -0.65 -0.15 0.23 5.15 0.62 -3.05 115.26 123.68 1pus n ASN 13 Ca 0.08 -0.88 0.10 0.00 -0.60 0.00 0.00 54.58 53.28 1pus n ASN 13 Cb 0.47 -0.25 0.51 0.00 -0.53 0.00 0.00 39.78 39.98 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1pus n GLU 14 N -2.03 1.19 -2.78 1.20 2.13 -1.26 -3.99 120.64 115.10 1pus n GLU 14 Ca 0.04 -0.29 -0.11 0.00 0.66 0.00 0.00 57.16 57.46 1pus n GLU 14 Cb 0.15 -1.32 0.02 0.00 0.27 0.00 0.00 31.44 30.55 1pus n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1pus n ASN 15 N -0.50 1.29 -1.85 4.31 2.85 -1.26 -4.95 115.26 115.15 1pus n ASN 15 Ca 0.15 -2.78 -0.06 0.00 -0.11 0.00 0.00 54.58 51.78 1pus n ASN 15 Cb 0.14 -0.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.60 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1pus n ASN 16 N 0.01 -2.00 -4.38 1.20 6.94 -1.26 -4.90 115.26 110.88 1pus n ASN 16 Ca 0.12 0.25 -0.29 0.00 -0.02 0.00 0.00 54.58 54.65 1pus n ASN 16 Cb 0.78 -1.93 -0.13 0.00 -2.36 0.00 0.00 39.78 36.14 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1pus s GLU 17 N -3.81 1.39 -0.04 -3.83 -1.05 -1.26 -4.21 118.70 105.89 1pus s GLU 17 Ca 0.00 -1.33 0.03 0.00 -0.15 0.00 0.00 54.97 53.52 1pus s GLU 17 Cb 0.00 -1.87 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 1pus s GLU 17 CO 0.00 0.44 -0.13 0.42 0.95 0.00 0.00 175.26 176.95 1pus s ILE 18 N -1.06 3.21 -0.56 1.83 1.09 0.49 0.23 121.20 126.42 1pus s ILE 18 Ca 0.13 -0.72 -0.21 0.00 -1.10 0.00 0.00 60.65 58.76 1pus s ILE 18 Cb -0.10 -2.29 0.06 0.00 -1.06 0.00 0.00 42.46 39.08 1pus s ILE 18 CO 0.06 0.56 0.78 0.12 -0.10 0.00 0.00 174.94 176.36 1pus s PHE 19 N -0.78 2.90 0.29 3.97 5.36 -1.00 -1.30 117.98 127.42 1pus s PHE 19 Ca 0.12 -0.48 0.08 0.00 -0.96 0.00 0.00 56.93 55.69 1pus s PHE 19 Cb -0.11 -3.90 -0.04 0.00 -0.34 0.00 0.00 43.02 38.64 1pus s PHE 19 CO 0.02 -1.28 0.16 0.96 -1.46 0.00 0.00 175.22 173.62 1pus s ILE 20 N 3.24 3.71 -0.41 3.12 -4.36 -1.24 -4.54 121.20 120.73 1pus s ILE 20 Ca 0.20 -1.58 -0.20 0.00 -0.26 0.00 0.00 60.65 58.80 1pus s ILE 20 Cb -0.18 -3.13 0.01 0.00 1.25 0.00 0.00 42.46 40.42 1pus s ILE 20 CO 0.12 -0.28 0.59 0.42 0.24 0.00 0.00 174.94 176.03 1pus s THR 21 N -2.28 4.90 -1.09 8.37 -4.23 0.57 -3.35 115.64 118.53 1pus s THR 21 Ca 0.35 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1pus s THR 21 Cb -0.06 -4.12 0.18 0.00 1.34 0.00 0.00 72.50 69.84 1pus s THR 21 CO 0.24 -0.46 1.26 -0.60 -0.54 0.00 0.00 174.62 174.52 1pus s ARG 22 N 2.64 3.94 -1.05 3.99 3.52 -1.25 -0.68 118.95 130.06 1pus s ARG 22 Ca 0.21 -2.44 -0.03 0.00 -0.13 0.00 0.00 55.73 53.34 1pus s ARG 22 Cb -0.15 -4.91 0.03 0.00 -1.56 0.00 0.00 34.95 28.36 1pus s ARG 22 CO 0.17 -1.67 0.07 0.54 -0.81 0.00 0.00 175.30 173.60 1pus n ARG 23 N 5.39 -0.93 0.00 5.12 5.12 -1.26 -3.13 116.66 126.96 1pus n ARG 23 Ca 0.30 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1pus n ARG 23 Cb 0.44 -2.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 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 -3.24 0.00 -0.85 7.54 0.00 -1.24 -4.36 120.51 118.36 1pus n ALA 24 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pus n ALA 24 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1pus n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pus n ALA 25 N 0.52 0.00 -2.71 0.00 0.00 -1.18 -4.11 120.51 113.02 1pus n ALA 25 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1pus n ALA 25 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1pus n ALA 25 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pus s ASP 26 N 1.55 6.37 -0.01 0.00 -4.77 -1.26 -4.94 116.67 113.62 1pus s ASP 26 Ca 0.00 0.43 -0.28 0.00 -3.30 0.00 0.00 52.55 49.40 1pus s ASP 26 Cb 0.00 -2.17 0.10 0.00 -1.09 0.00 0.00 42.92 39.76 1pus s ASP 26 CO 0.00 0.07 1.28 0.00 0.70 0.00 0.00 175.17 177.22 1pus s ALA 27 N 0.67 -2.42 -0.43 2.11 0.00 -1.26 -5.02 121.76 115.42 1pus s ALA 27 Ca 0.15 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1pus s ALA 27 Cb -0.13 0.83 0.61 0.00 0.00 0.00 0.00 23.12 24.43 1pus s ALA 27 CO 0.04 -1.14 1.87 -2.39 0.00 0.00 0.00 175.76 174.14 1pus n HIS 28 N -0.85 2.87 -2.71 0.00 1.44 -1.26 -4.45 115.22 110.26 1pus n HIS 28 Ca 0.02 -1.82 -0.07 0.00 -2.01 0.00 0.00 57.72 53.85 1pus n HIS 28 Cb 0.59 -0.93 0.09 0.00 0.12 0.00 0.00 29.99 29.86 1pus n HIS 28 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1pus n MET 29 N -1.02 0.60 0.00 -1.40 2.81 -1.26 -4.99 117.12 111.86 1pus n MET 29 Ca 0.56 -1.37 0.09 0.00 -1.81 0.00 0.00 57.70 55.17 1pus n MET 29 Cb 1.55 -0.77 0.40 0.00 -0.71 0.00 0.00 33.22 33.69 1pus n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pus n ALA 30 N 0.87 1.86 0.21 3.04 0.00 -1.26 -3.01 120.51 122.21 1pus n ALA 30 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1pus n ALA 30 Cb 0.70 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.99 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 3.01 -0.89 0.00 5.03 -1.26 -3.90 115.26 115.81 1pus n ASN 31 Ca 0.06 -2.45 0.02 0.00 0.87 0.00 0.00 54.58 53.07 1pus n ASN 31 Cb 0.19 -0.59 0.21 0.00 -1.02 0.00 0.00 39.78 38.56 1pus n ASN 31 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pus n LYS 32 N 0.12 1.98 -1.52 3.52 5.02 -0.65 -3.27 118.16 123.37 1pus n LYS 32 Ca 0.15 -3.05 -0.34 0.00 -2.02 0.00 0.00 58.31 53.05 1pus n LYS 32 Cb 0.74 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.03 0.55 -4.87 -0.35 0.00 0.29 -4.21 117.00 107.38 1pus n LEU 33 Ca 0.27 -0.24 -0.26 0.00 0.00 0.00 0.00 56.01 55.78 1pus n LEU 33 Cb 0.91 -1.06 -0.02 0.00 0.00 0.00 0.00 43.42 43.25 1pus n LEU 33 CO 0.13 -1.19 0.00 -0.70 0.00 0.00 0.00 177.39 175.63 1pus s GLU 34 N 8.48 2.27 0.30 1.96 -6.30 0.14 -3.94 118.70 121.61 1pus s GLU 34 Ca 1.23 -1.99 0.11 0.00 -2.50 0.00 0.00 54.97 51.83 1pus s GLU 34 Cb -0.85 -2.07 -0.05 0.00 0.00 0.00 0.00 34.13 31.16 1pus s GLU 34 CO 0.42 -0.51 -0.16 -0.59 0.02 0.00 0.00 175.26 174.44 1pus s PHE 35 N -2.74 2.34 1.13 5.30 -0.12 -1.26 -0.32 117.98 122.31 1pus s PHE 35 Ca 0.34 -0.38 -0.16 0.00 -0.05 0.00 0.00 56.93 56.69 1pus s PHE 35 Cb -0.01 -1.11 0.18 0.00 -0.63 0.00 0.00 43.02 41.45 1pus s PHE 35 CO 0.20 0.68 0.49 -0.35 -0.05 0.00 0.00 175.22 176.19 1pus n PRO 36 N -0.68 -1.88 0.00 1.99 -0.04 -1.26 -4.78 135.00 128.35 1pus n PRO 36 Ca -0.05 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1pus n PRO 36 Cb 0.61 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.52 0.82 2.80 0.55 0.00 -1.25 -3.65 105.19 105.98 1pus n GLY 37 Ca 0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.69 0.48 0.00 -0.02 0.00 -1.25 -3.02 107.32 101.82 1pus s GLY 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1pus s GLY 38 CO 0.00 1.01 0.00 1.17 0.00 0.00 0.00 173.10 175.28 1pus n LYS 39 N 4.95 0.00 -0.28 2.90 4.81 -1.26 -5.01 118.16 124.27 1pus n LYS 39 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.25 1pus n LYS 39 Cb 0.50 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.51 1pus n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1pus h ILE 40 N 0.00 0.04 0.00 3.15 2.10 -1.86 -3.15 117.51 117.80 1pus h ILE 40 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1pus h ILE 40 Cb 0.00 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 1pus h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.23 1pus n GLU 41 N -5.38 0.00 0.00 2.19 0.28 -1.25 -4.34 120.64 112.14 1pus n GLU 41 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1pus n GLU 41 Cb 0.34 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.21 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 -0.72 0.00 -0.32 3.44 2.81 -1.19 -3.14 117.12 118.00 1pus n MET 42 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1pus n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 0.32 0.00 3.03 0.00 -1.26 -5.12 105.19 102.16 1pus n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pus n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pus n GLU 44 N 0.00 1.00 -4.07 1.61 2.13 -1.19 -5.08 120.64 115.05 1pus n GLU 44 Ca -0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.53 1pus n GLU 44 Cb 0.26 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.92 1pus n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1pus s THR 45 N 0.00 4.57 0.61 6.31 2.01 -1.26 -4.79 115.64 123.08 1pus s THR 45 Ca 0.00 -1.03 0.26 0.00 0.31 0.00 0.00 61.69 61.23 1pus s THR 45 Cb 0.00 -3.33 0.37 0.00 0.01 0.00 0.00 72.50 69.55 1pus s THR 45 CO 0.00 -0.10 1.48 1.55 -0.69 0.00 0.00 174.62 176.86 1pus h PRO 46 N 2.42 0.00 0.00 4.92 0.13 -1.99 1.54 132.00 139.03 1pus h PRO 46 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 1pus h PRO 46 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1pus h PRO 46 CO 0.64 0.00 -2.54 0.39 -0.23 0.00 0.00 178.00 176.26 1pus n GLU 47 N -3.32 0.60 0.00 0.86 1.02 -1.26 -4.46 120.64 114.08 1pus n GLU 47 Ca 0.17 0.25 0.15 0.00 -0.02 0.00 0.00 57.16 57.71 1pus n GLU 47 Cb 1.22 -1.50 0.77 0.00 -0.02 0.00 0.00 31.44 31.91 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 -4.13 0.53 0.29 3.49 6.02 -0.53 -3.21 117.38 119.83 1pus n GLN 48 Ca -0.54 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.28 1pus n GLN 48 Cb 0.90 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 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 3.52 -0.74 0.11 -1.58 0.00 0.19 -2.13 119.26 118.63 1pus h ALA 49 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1pus h ALA 49 Cb 0.26 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pus h ALA 49 CO 0.00 -0.78 -0.81 -0.24 0.00 0.00 0.00 179.25 177.42 1pus h VAL 50 N -1.02 1.47 -0.98 0.00 3.04 -1.79 -2.61 116.25 114.36 1pus h VAL 50 Ca -0.08 -2.42 0.23 0.00 -1.01 0.00 0.00 66.70 63.42 1pus h VAL 50 Cb 0.64 3.01 -0.08 0.00 -2.01 0.00 0.00 31.29 32.85 1pus h VAL 50 CO 0.12 0.69 0.64 0.58 -1.01 0.00 0.00 177.57 178.59 1pus h VAL 51 N -0.24 0.61 0.02 1.51 2.07 -1.67 1.46 116.25 120.01 1pus h VAL 51 Ca -0.13 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1pus h VAL 51 Cb 1.60 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1pus h VAL 51 CO 0.15 0.08 -0.12 -0.09 0.02 0.00 0.00 177.57 177.61 1pus h ARG 52 N 0.44 0.05 0.00 1.57 9.65 -1.44 -3.29 114.38 121.37 1pus h ARG 52 Ca 0.54 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 59.31 1pus h ARG 52 Cb 1.30 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1pus h ARG 52 CO -0.25 0.97 -0.11 1.49 2.80 0.00 0.00 179.97 184.88 1pus h GLU 53 N -0.82 0.00 -0.67 0.20 4.57 -0.85 -2.83 114.58 114.18 1pus h GLU 53 Ca -0.02 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1pus h GLU 53 Cb 1.03 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.55 1pus h GLU 53 CO 0.02 0.11 0.32 1.25 -1.18 0.00 0.00 179.01 179.53 1pus h LEU 54 N 0.00 0.40 -1.75 1.64 5.85 0.19 0.39 115.31 122.04 1pus h LEU 54 Ca -0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1pus h LEU 54 Cb 0.36 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pus h LEU 54 CO 0.01 0.24 0.01 1.56 -0.34 0.00 0.00 178.44 179.92 1pus h GLN 55 N 0.55 0.17 0.00 1.25 7.50 -1.64 0.70 115.11 123.64 1pus h GLN 55 Ca 0.33 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.39 1pus h GLN 55 Cb 0.34 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1pus h GLN 55 CO -0.26 0.17 -0.34 1.49 -1.50 0.00 0.00 178.83 178.39 1pus h GLU 56 N 0.17 0.00 -0.18 1.46 4.22 -0.49 0.88 114.58 120.64 1pus h GLU 56 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1pus h GLU 56 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1pus h GLU 56 CO -0.00 0.34 0.00 0.39 -2.18 0.00 0.00 179.01 177.56 1pus n GLU 57 N -3.26 1.74 0.00 1.92 -0.58 0.75 0.16 120.64 121.38 1pus n GLU 57 Ca 0.02 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 1pus n GLU 57 Cb 0.61 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pus n VAL 58 N 0.89 0.00 0.00 2.62 0.31 0.22 -4.23 118.33 118.14 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 0.43 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.96 0.67 2.18 2.92 0.00 0.31 0.58 105.19 113.80 1pus n GLY 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1pus n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pus n ILE 60 N 0.00 0.00 -3.71 -0.61 -5.35 -1.26 -4.87 119.36 103.56 1pus n ILE 60 Ca 0.00 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 1pus n ILE 60 Cb 0.00 -1.58 -0.09 0.00 -1.74 0.00 0.00 39.64 36.23 1pus n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pus s THR 61 N -2.55 3.78 0.06 7.28 -4.23 -1.26 -4.94 115.64 113.78 1pus s THR 61 Ca 0.43 -3.09 0.04 0.00 -1.18 0.00 0.00 61.69 57.89 1pus s THR 61 Cb -0.02 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1pus s THR 61 CO 0.31 -0.90 0.00 -2.16 -0.54 0.00 0.00 174.62 171.32 1pus s PRO 62 N -0.24 2.63 -1.24 3.99 0.04 -1.26 -3.06 135.00 135.85 1pus s PRO 62 Ca 0.18 -0.77 -0.20 0.00 0.04 0.00 0.00 61.00 60.25 1pus s PRO 62 Cb -0.19 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1pus s PRO 62 CO -0.04 0.57 1.84 1.04 0.04 0.00 0.00 177.00 180.45 1pus n GLN 63 N 0.82 2.37 -4.72 4.56 6.02 0.04 -4.84 117.38 121.62 1pus n GLN 63 Ca -0.12 -2.86 -0.29 0.00 -0.01 0.00 0.00 57.00 53.72 1pus n GLN 63 Cb 0.52 -3.62 -0.17 0.00 1.02 0.00 0.00 30.24 27.99 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 7.79 2.13 -0.10 1.08 2.46 -1.24 0.05 115.29 127.47 1pus s HIS 64 Ca 0.61 -0.94 -0.33 0.00 0.47 0.00 0.00 55.06 54.87 1pus s HIS 64 Cb 0.02 -1.49 0.14 0.00 -0.13 0.00 0.00 32.58 31.12 1pus s HIS 64 CO 0.11 -0.44 1.44 0.12 -2.47 0.00 0.00 174.74 173.50 1pus s PHE 65 N 0.72 -0.00 0.00 3.88 5.36 -1.25 -4.95 117.98 121.74 1pus s PHE 65 Ca -0.12 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1pus s PHE 65 Cb -0.16 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1pus s PHE 65 CO 0.02 -0.01 0.00 0.45 -1.46 0.00 0.00 175.22 174.22 1pus n SER 66 N -0.55 0.00 -4.29 6.13 2.88 -1.26 -4.04 113.62 112.49 1pus n SER 66 Ca -0.08 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.13 1pus n SER 66 Cb 0.63 0.38 -0.16 0.00 -0.75 0.00 0.00 64.21 64.31 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 -3.51 2.40 -0.08 2.46 0.05 -1.26 0.11 118.68 118.85 1pus s LEU 67 Ca 0.00 -0.45 -0.26 0.00 0.05 0.00 0.00 54.13 53.47 1pus s LEU 67 Cb 0.00 -1.51 -0.25 0.00 -2.05 0.00 0.00 46.19 42.38 1pus s LEU 67 CO 0.00 0.15 0.96 2.19 -0.55 0.00 0.00 176.35 179.10 1pus h PHE 68 N 6.80 0.17 -1.42 3.48 -0.00 -1.56 -3.42 116.94 120.99 1pus h PHE 68 Ca -0.24 -0.10 0.13 0.00 -0.00 0.00 0.00 57.97 57.76 1pus h PHE 68 Cb 1.22 -0.02 -0.29 0.00 -0.00 0.00 0.00 35.95 36.87 1pus h PHE 68 CO 0.49 0.94 0.49 -1.21 -0.00 0.00 0.00 178.31 179.02 1pus s GLU 69 N -2.91 0.31 -0.07 6.09 2.02 -0.93 -5.00 118.70 118.21 1pus s GLU 69 Ca -0.17 0.50 0.04 0.00 0.02 0.00 0.00 54.97 55.37 1pus s GLU 69 Cb -0.00 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1pus s GLU 69 CO 0.73 -0.06 -0.20 -1.59 0.02 0.00 0.00 175.26 174.16 1pus s LYS 70 N 1.08 2.33 0.23 1.61 0.00 -1.26 -1.97 119.74 121.76 1pus s LYS 70 Ca -0.07 -0.71 0.07 0.00 0.00 0.00 0.00 55.97 55.27 1pus s LYS 70 Cb -0.04 -1.88 -0.05 0.00 0.00 0.00 0.00 37.83 35.86 1pus s LYS 70 CO -0.13 0.19 -0.10 -0.48 0.00 0.00 0.00 175.35 174.83 1pus s LEU 71 N 0.26 2.50 -0.03 2.77 -0.00 -0.66 -4.95 118.68 118.57 1pus s LEU 71 Ca -0.12 -1.10 -0.00 0.00 -0.00 0.00 0.00 54.13 52.91 1pus s LEU 71 Cb -0.15 -0.62 0.03 0.00 -0.00 0.00 0.00 46.19 45.45 1pus s LEU 71 CO 0.05 -0.27 0.04 -0.70 -0.00 0.00 0.00 176.35 175.48 1pus s GLU 72 N -3.69 -0.04 -0.28 1.48 2.12 -1.26 -2.09 118.70 114.93 1pus s GLU 72 Ca 0.25 0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.78 1pus s GLU 72 Cb 0.02 -0.29 0.10 0.00 0.26 0.00 0.00 34.13 34.22 1pus s GLU 72 CO 0.09 -0.20 0.15 1.52 -0.54 0.00 0.00 175.26 176.28 1pus s TYR 73 N 1.27 0.19 -0.11 5.30 1.13 -1.12 -5.03 117.35 118.99 1pus s TYR 73 Ca -0.07 -0.73 -0.30 0.00 -1.41 0.00 0.00 57.07 54.57 1pus s TYR 73 Cb -0.13 -0.82 -0.02 0.00 -1.10 0.00 0.00 41.96 39.89 1pus s TYR 73 CO -0.03 -0.82 1.26 -1.83 -2.51 0.00 0.00 175.55 171.62 1pus s GLU 74 N 2.14 4.28 0.68 -3.49 -1.05 -1.26 -3.57 118.70 116.42 1pus s GLU 74 Ca 0.09 1.70 -0.11 0.00 -0.15 0.00 0.00 54.97 56.49 1pus s GLU 74 Cb -0.16 -3.68 -0.01 0.00 -0.44 0.00 0.00 34.13 29.85 1pus s GLU 74 CO -0.34 -0.60 1.07 -0.06 0.95 0.00 0.00 175.26 176.28 1pus s PHE 75 N 2.93 3.43 -0.64 4.83 0.40 0.41 -4.85 117.98 124.49 1pus s PHE 75 Ca 0.56 1.13 -0.15 0.00 -0.60 0.00 0.00 56.93 57.87 1pus s PHE 75 Cb -0.24 -2.95 -0.15 0.00 0.51 0.00 0.00 43.02 40.20 1pus s PHE 75 CO 0.19 -1.01 1.71 -0.35 0.70 0.00 0.00 175.22 176.46 1pus n PRO 76 N -2.92 0.09 -0.43 0.24 -0.04 -1.26 0.61 135.00 131.29 1pus n PRO 76 Ca 0.07 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1pus n PRO 76 Cb 0.56 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 13.07 -1.29 -3.56 3.54 2.03 -1.26 -5.03 116.55 124.04 1pus n ASP 77 Ca 0.27 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.29 1pus n ASP 77 Cb 0.46 -0.22 -0.13 0.00 -0.72 0.00 0.00 41.12 40.51 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pus s ARG 78 N -0.57 0.59 -0.62 -0.67 3.52 0.20 -2.53 118.95 118.87 1pus s ARG 78 Ca 0.00 -1.18 -0.27 0.00 -0.13 0.00 0.00 55.73 54.14 1pus s ARG 78 Cb 0.00 -1.51 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1pus s ARG 78 CO 0.00 -1.12 1.54 -1.58 -0.81 0.00 0.00 175.30 173.33 1pus s HIS 79 N 1.31 2.06 -0.34 5.12 5.65 0.02 0.15 115.29 129.26 1pus s HIS 79 Ca 0.14 0.43 -0.09 0.00 0.25 0.00 0.00 55.06 55.80 1pus s HIS 79 Cb -0.21 -4.35 0.02 0.00 -1.18 0.00 0.00 32.58 26.87 1pus s HIS 79 CO -0.13 -2.15 0.15 -1.50 -0.65 0.00 0.00 174.74 170.46 1pus s ILE 80 N 7.01 4.25 -0.20 0.89 2.07 -1.23 0.11 121.20 134.11 1pus s ILE 80 Ca 0.53 -0.83 -0.08 0.00 -1.41 0.00 0.00 60.65 58.87 1pus s ILE 80 Cb -0.11 -3.31 -0.04 0.00 0.13 0.00 0.00 42.46 39.12 1pus s ILE 80 CO 0.21 -0.11 0.08 0.42 -1.91 0.00 0.00 174.94 173.63 1pus s THR 81 N 1.51 4.85 -0.19 4.00 -4.23 -0.76 -2.79 115.64 118.04 1pus s THR 81 Ca 0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1pus s THR 81 Cb -0.18 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.50 1pus s THR 81 CO 0.05 0.44 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.72 1pus s LEU 82 N 0.55 2.04 -0.22 4.79 1.43 -0.89 0.15 118.68 126.53 1pus s LEU 82 Ca 0.04 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1pus s LEU 82 Cb -0.13 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1pus s LEU 82 CO 0.01 -0.17 0.02 0.26 0.23 0.00 0.00 176.35 176.70 1pus s TRP 83 N 1.49 3.05 -0.36 0.29 0.52 -0.41 -1.65 118.94 121.86 1pus s TRP 83 Ca -0.01 -0.51 -0.13 0.00 0.02 0.00 0.00 56.10 55.47 1pus s TRP 83 Cb -0.16 -2.14 -0.01 0.00 -1.15 0.00 0.00 33.47 30.01 1pus s TRP 83 CO -0.08 -0.32 0.25 -0.06 0.02 0.00 0.00 176.95 176.75 1pus s PHE 84 N 1.29 3.23 0.14 -1.98 0.40 -0.83 0.10 117.98 120.33 1pus s PHE 84 Ca 0.04 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1pus s PHE 84 Cb -0.15 -2.50 -0.06 0.00 0.51 0.00 0.00 43.02 40.83 1pus s PHE 84 CO 0.02 -0.44 0.41 -1.58 0.70 0.00 0.00 175.22 174.33 1pus s TRP 85 N 1.70 3.49 -0.51 0.36 0.52 0.34 -1.74 118.94 123.10 1pus s TRP 85 Ca 0.06 0.67 -0.17 0.00 0.02 0.00 0.00 56.10 56.68 1pus s TRP 85 Cb -0.18 -2.09 0.09 0.00 -1.15 0.00 0.00 33.47 30.14 1pus s TRP 85 CO 0.10 0.42 0.50 -1.17 0.02 0.00 0.00 176.95 176.82 1pus s LEU 86 N -2.50 5.61 0.21 2.99 2.96 0.31 -2.58 118.68 125.68 1pus s LEU 86 Ca 0.40 -1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 52.77 1pus s LEU 86 Cb -0.12 -2.25 -0.08 0.00 0.50 0.00 0.00 46.19 44.24 1pus s LEU 86 CO 0.22 -0.80 0.65 -0.69 -1.32 0.00 0.00 176.35 174.42 1pus s VAL 87 N 1.93 4.71 -0.06 1.68 1.01 -1.13 -3.89 120.40 124.65 1pus s VAL 87 Ca 0.07 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1pus s VAL 87 Cb -0.25 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1pus s VAL 87 CO 0.07 0.15 0.08 -0.62 0.00 0.00 0.00 175.10 174.77 1pus n GLU 88 N 0.54 1.90 -3.64 2.72 1.02 -1.06 -3.43 120.64 118.70 1pus n GLU 88 Ca -0.02 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1pus n GLU 88 Cb 0.52 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.32 1.32 -0.19 3.49 3.52 0.11 -4.47 118.95 120.41 1pus s ARG 89 Ca -0.04 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 1pus s ARG 89 Cb 0.03 0.51 0.06 0.00 -1.56 0.00 0.00 34.95 34.00 1pus s ARG 89 CO 0.34 -0.59 0.45 1.67 -0.81 0.00 0.00 175.30 176.35 1pus s TRP 90 N -3.57 -0.67 0.27 5.12 -2.14 -1.24 -0.78 118.94 115.92 1pus s TRP 90 Ca 0.07 1.41 -0.30 0.00 2.66 0.00 0.00 56.10 59.94 1pus s TRP 90 Cb -0.03 0.32 -0.09 0.00 -3.10 0.00 0.00 33.47 30.57 1pus s TRP 90 CO -0.03 -0.37 1.06 -2.00 -2.66 0.00 0.00 176.95 172.95 1pus s GLU 91 N 1.43 4.70 7.30 3.25 2.12 -1.17 -4.76 118.70 131.56 1pus s GLU 91 Ca -0.10 1.72 0.00 0.00 0.36 0.00 0.00 54.97 56.95 1pus s GLU 91 Cb -0.08 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1pus s GLU 91 CO -0.14 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1pus n GLY 92 N 1.28 3.68 2.98 -1.50 0.00 -1.26 -4.59 105.19 105.78 1pus n GLY 92 Ca -0.01 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 0.52 0.02 1.61 2.02 -1.26 -5.12 118.70 116.49 1pus s GLU 93 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1pus s GLU 93 Cb 0.00 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 1pus s GLU 93 CO 0.00 0.14 1.16 -2.14 0.02 0.00 0.00 175.26 174.44 1pus s PRO 94 N -0.17 4.43 0.16 0.39 0.02 -1.26 -4.67 135.00 133.89 1pus s PRO 94 Ca 0.02 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1pus s PRO 94 Cb -0.03 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1pus s PRO 94 CO -0.00 -0.28 0.00 -2.67 -0.33 0.00 0.00 177.00 173.72 1pus n TRP 95 N 4.30 -0.96 0.00 6.54 4.27 0.57 -5.01 117.44 127.15 1pus n TRP 95 Ca 0.09 0.17 0.00 0.00 -3.89 0.00 0.00 57.50 53.87 1pus n TRP 95 Cb 0.47 0.25 0.00 0.00 -1.36 0.00 0.00 31.31 30.67 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 2.61 0.55 0.00 -1.67 0.00 0.20 -3.65 105.19 103.23 1pus n GLY 96 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.10 1.61 4.81 0.41 -4.69 118.16 120.20 1pus n LYS 97 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1pus n LYS 97 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pus h GLU 98 N 0.00 0.27 0.00 1.64 4.11 -1.74 -3.47 114.58 115.40 1pus h GLU 98 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1pus h GLU 98 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pus h GLU 98 CO 0.00 0.18 0.00 0.41 0.07 0.00 0.00 179.01 179.67 1pus n GLY 99 N -1.22 0.91 2.49 1.06 0.00 -1.26 -5.01 105.19 102.16 1pus n GLY 99 Ca 0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.73 0.48 -0.15 1.61 -0.21 -1.26 -4.82 119.66 114.58 1pus s GLN 100 Ca 0.00 -1.16 -0.41 0.00 0.02 0.00 0.00 55.36 53.81 1pus s GLN 100 Cb 0.00 -1.24 -0.18 0.00 1.00 0.00 0.00 33.01 32.59 1pus s GLN 100 CO 0.00 -1.18 1.43 -2.30 -2.12 0.00 0.00 175.29 171.12 1pus n PRO 101 N 4.27 0.60 -4.39 2.91 -0.02 -1.26 -4.32 135.00 132.79 1pus n PRO 101 Ca 0.09 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.57 1pus n PRO 101 Cb 0.38 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.66 2.39 0.15 -1.23 0.00 -1.26 -3.65 107.32 105.37 1pus s GLY 102 Ca 0.94 -1.63 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1pus s GLY 102 CO 0.62 -1.65 -0.13 -0.54 0.00 0.00 0.00 173.10 171.39 1pus s GLU 103 N -3.65 1.10 -0.43 2.90 0.41 -1.21 -4.96 118.70 112.85 1pus s GLU 103 Ca 0.32 -1.37 -0.28 0.00 -0.41 0.00 0.00 54.97 53.23 1pus s GLU 103 Cb 0.03 -0.88 -0.01 0.00 -1.78 0.00 0.00 34.13 31.48 1pus s GLU 103 CO 0.20 0.15 1.73 -1.58 -0.49 0.00 0.00 175.26 175.26 1pus s TRP 104 N -2.61 1.90 0.25 1.61 0.51 -1.26 -3.64 118.94 115.70 1pus s TRP 104 Ca 0.14 0.67 0.12 0.00 -2.12 0.00 0.00 56.10 54.90 1pus s TRP 104 Cb -0.02 -4.16 -0.05 0.00 -0.81 0.00 0.00 33.47 28.43 1pus s TRP 104 CO 0.03 -2.56 -0.20 0.00 -0.51 0.00 0.00 176.95 173.71 1pus s MET 105 N 5.88 1.66 -0.09 4.98 0.23 -0.42 -4.91 119.30 126.63 1pus s MET 105 Ca 0.72 -1.67 -0.30 0.00 -1.03 0.00 0.00 55.69 53.41 1pus s MET 105 Cb -0.18 -1.82 -0.04 0.00 -1.53 0.00 0.00 34.83 31.27 1pus s MET 105 CO 0.30 0.35 1.41 -1.54 -2.03 0.00 0.00 175.02 173.51 1pus s SER 106 N -3.24 6.85 0.15 -1.18 1.04 -1.26 0.18 113.70 116.24 1pus s SER 106 Ca 0.27 1.95 0.09 0.00 0.48 0.00 0.00 55.95 58.74 1pus s SER 106 Cb -0.06 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 1pus s SER 106 CO 0.14 -0.79 1.31 0.25 0.98 0.00 0.00 173.24 175.12 1pus h LEU 107 N 9.52 0.00 -1.79 2.42 7.12 -1.82 -3.26 115.31 127.51 1pus h LEU 107 Ca -0.33 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.80 1pus h LEU 107 Cb 1.14 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 1pus h LEU 107 CO 0.95 0.90 0.56 1.62 -0.13 0.00 0.00 178.44 182.33 1pus h VAL 108 N 0.00 0.25 -0.92 1.05 3.04 -1.91 -0.18 116.25 117.58 1pus h VAL 108 Ca -0.01 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.18 1pus h VAL 108 Cb 1.69 0.54 -0.42 0.00 -2.01 0.00 0.00 31.29 31.09 1pus h VAL 108 CO 0.12 0.00 -0.87 0.61 -1.01 0.00 0.00 177.57 176.41 1pus n GLY 109 N -1.48 5.20 3.74 3.17 0.00 -1.23 -4.96 105.19 109.64 1pus n GLY 109 Ca 0.08 -2.34 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.58 3.61 -0.08 0.99 0.20 -0.08 -5.02 118.68 114.71 1pus s LEU 110 Ca 0.45 2.51 0.04 0.00 0.69 0.00 0.00 54.13 57.82 1pus s LEU 110 Cb 0.40 -4.61 -0.01 0.00 -0.43 0.00 0.00 46.19 41.54 1pus s LEU 110 CO -0.03 -1.83 -0.23 0.20 -0.29 0.00 0.00 176.35 174.17 1pus s ASN 111 N -1.50 3.24 0.29 3.68 0.01 -1.26 -4.97 114.94 114.42 1pus s ASN 111 Ca 0.80 -0.49 0.25 0.00 -0.71 0.00 0.00 52.86 52.71 1pus s ASN 111 Cb -0.34 -1.15 0.98 0.00 0.41 0.00 0.00 41.25 41.15 1pus s ASN 111 CO 0.37 0.21 1.75 0.00 -1.51 0.00 0.00 177.10 177.92 1pus h ALA 112 N 6.35 1.00 0.01 0.60 0.00 -1.95 -2.93 119.26 122.33 1pus h ALA 112 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1pus h ALA 112 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pus h ALA 112 CO 0.48 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.85 1pus h ASP 113 N 0.00 0.06 0.09 0.00 3.58 -1.94 -3.34 116.42 114.87 1pus h ASP 113 Ca 0.00 -0.93 -0.08 0.00 0.42 0.00 0.00 57.03 56.43 1pus h ASP 113 Cb 0.47 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1pus h ASP 113 CO 0.00 0.99 -0.27 -2.24 -2.88 0.00 0.00 179.24 174.85 1pus h ASP 114 N -0.85 0.29 -2.97 2.28 2.03 -1.79 -3.43 116.42 111.98 1pus h ASP 114 Ca -0.02 -0.09 -0.45 0.00 -0.73 0.00 0.00 57.03 55.74 1pus h ASP 114 Cb 1.02 -0.08 0.08 0.00 -0.83 0.00 0.00 39.33 39.52 1pus h ASP 114 CO 0.02 0.56 0.13 0.72 -1.03 0.00 0.00 179.24 179.64 1pus s PHE 115 N -4.45 2.45 0.08 4.15 -0.71 -1.11 0.11 117.98 118.50 1pus s PHE 115 Ca -0.05 0.10 -0.31 0.00 -1.04 0.00 0.00 56.93 55.63 1pus s PHE 115 Cb 0.14 -3.07 -0.08 0.00 -1.21 0.00 0.00 43.02 38.80 1pus s PHE 115 CO 0.76 -1.41 1.49 -1.25 -1.34 0.00 0.00 175.22 173.47 1pus s PRO 116 N -5.12 4.26 0.53 1.99 0.04 -1.20 -4.39 135.00 131.11 1pus s PRO 116 Ca 0.62 2.17 0.35 0.00 0.04 0.00 0.00 61.00 64.17 1pus s PRO 116 Cb -0.09 -3.40 1.67 0.00 0.04 0.00 0.00 34.50 32.73 1pus s PRO 116 CO 0.43 -0.58 2.05 -1.00 0.04 0.00 0.00 177.00 177.94 1pus h PRO 117 N 7.44 0.00 0.00 0.56 0.13 -1.81 -2.42 132.00 135.90 1pus h PRO 117 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1pus h PRO 117 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pus h PRO 117 CO 0.90 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1pus n ALA 118 N -2.01 1.82 -1.76 -0.56 0.00 -1.26 -2.88 120.51 113.85 1pus n ALA 118 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1pus n ALA 118 Cb 0.18 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.47 3.17 0.00 0.00 5.03 -0.91 -4.78 115.26 116.31 1pus n ASN 119 Ca 0.05 -3.84 -0.17 0.00 0.87 0.00 0.00 54.58 51.49 1pus n ASN 119 Cb 0.19 -0.46 -0.11 0.00 -1.02 0.00 0.00 39.78 38.38 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 1.51 0.43 -1.24 3.52 4.39 -1.69 -3.20 114.58 118.29 1pus h GLU 120 Ca 0.17 -0.45 0.38 0.00 0.34 0.00 0.00 59.36 59.81 1pus h GLU 120 Cb 1.26 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.92 1pus h GLU 120 CO 0.36 1.10 0.81 -1.35 -1.16 0.00 0.00 179.01 178.78 1pus h PRO 121 N -0.07 0.17 0.09 2.33 0.11 -1.86 1.26 132.00 134.02 1pus h PRO 121 Ca -0.07 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.76 1pus h PRO 121 Cb 1.31 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 32.40 1pus h PRO 121 CO 0.12 0.11 -1.09 0.28 -0.21 0.00 0.00 178.00 177.22 1pus h VAL 122 N 0.18 1.32 -0.08 3.15 2.07 -1.95 -3.26 116.25 117.67 1pus h VAL 122 Ca 0.73 -2.38 -0.12 0.00 0.82 0.00 0.00 66.70 65.75 1pus h VAL 122 Cb 2.25 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 34.68 1pus h VAL 122 CO -0.33 0.72 -0.50 0.40 0.02 0.00 0.00 177.57 177.88 1pus h ILE 123 N 0.18 1.35 -0.39 4.57 1.08 0.12 -2.70 117.51 121.73 1pus h ILE 123 Ca -0.16 -1.73 0.11 0.00 -0.39 0.00 0.00 64.86 62.69 1pus h ILE 123 Cb 1.77 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 37.35 1pus h ILE 123 CO 0.21 0.51 0.36 0.00 -0.69 0.00 0.00 178.15 178.54 1pus h ALA 124 N 1.32 2.15 0.00 1.87 0.00 0.12 1.82 119.26 126.53 1pus h ALA 124 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pus h ALA 124 Cb 0.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pus h ALA 124 CO 0.08 -0.56 -0.01 0.87 0.00 0.00 0.00 179.25 179.62 1pus h LYS 125 N 0.00 0.00 0.05 0.00 1.57 -1.58 -3.31 116.57 113.29 1pus h LYS 125 Ca 0.18 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.73 1pus h LYS 125 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1pus h LYS 125 CO -0.00 0.91 -1.04 1.25 -0.57 0.00 0.00 179.45 180.00 1pus h LEU 126 N -1.00 0.31 -0.84 2.94 5.85 -1.34 -3.30 115.31 117.94 1pus h LEU 126 Ca -0.00 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.55 1pus h LEU 126 Cb 0.91 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1pus h LEU 126 CO -0.00 1.16 0.45 0.50 -0.34 0.00 0.00 178.44 180.20 1pus h LYS 127 N 0.09 0.66 0.00 1.25 3.64 0.26 0.95 116.57 123.42 1pus h LYS 127 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pus h LYS 127 Cb 1.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1pus h LYS 127 CO 0.16 0.44 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1pus n ARG 128 N -4.83 0.23 -0.29 1.90 0.63 -1.24 -4.99 116.66 108.07 1pus n ARG 128 Ca 0.16 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1pus n ARG 128 Cb 0.38 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.79 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40