#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 2.54 0.02 2.12 2.20 -1.26 -5.07 119.74 120.29 1pus s LYS 2 Ca 0.00 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1pus s LYS 2 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1pus s LYS 2 CO 0.00 -0.78 0.10 -1.59 -0.36 0.00 0.00 175.35 172.71 1pus s LYS 3 N 1.37 3.08 -0.09 4.03 0.00 -1.26 -2.77 119.74 124.10 1pus s LYS 3 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 55.97 55.40 1pus s LYS 3 Cb -0.21 -2.86 0.03 0.00 0.00 0.00 0.00 37.83 34.79 1pus s LYS 3 CO 0.02 0.63 0.22 -0.48 0.00 0.00 0.00 175.35 175.74 1pus s LEU 4 N -1.94 0.81 0.10 2.77 0.05 0.55 -4.93 118.68 116.09 1pus s LEU 4 Ca 0.25 0.46 0.02 0.00 0.05 0.00 0.00 54.13 54.92 1pus s LEU 4 Cb -0.12 0.70 -0.04 0.00 -2.05 0.00 0.00 46.19 44.68 1pus s LEU 4 CO 0.17 -0.12 0.16 -1.10 -0.55 0.00 0.00 176.35 174.91 1pus s GLN 5 N 0.70 3.16 -0.11 1.48 -0.21 -1.26 -1.90 119.66 121.52 1pus s GLN 5 Ca -0.05 -0.63 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 1pus s GLN 5 Cb -0.06 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.14 1pus s GLN 5 CO -0.04 0.56 0.25 0.42 -2.12 0.00 0.00 175.29 174.36 1pus s ILE 6 N -1.55 -0.06 -0.11 1.08 -1.09 0.21 -3.46 121.20 116.22 1pus s ILE 6 Ca 0.32 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.92 1pus s ILE 6 Cb -0.12 -0.39 0.01 0.00 -1.58 0.00 0.00 42.46 40.39 1pus s ILE 6 CO 0.25 0.06 -0.16 0.00 -1.23 0.00 0.00 174.94 173.87 1pus s ALA 7 N 1.34 1.76 0.30 9.38 0.00 -1.20 -1.08 121.76 132.25 1pus s ALA 7 Ca -0.09 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.20 1pus s ALA 7 Cb -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1pus s ALA 7 CO -0.09 -0.09 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 1pus s VAL 8 N 1.00 2.65 -0.23 0.00 -7.23 0.30 -3.68 120.40 113.21 1pus s VAL 8 Ca -0.06 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 57.86 1pus s VAL 8 Cb -0.15 -2.53 0.12 0.00 0.56 0.00 0.00 36.38 34.39 1pus s VAL 8 CO -0.02 -0.34 0.38 -0.83 -0.31 0.00 0.00 175.10 173.98 1pus s GLY 9 N -3.59 -0.39 -0.53 2.32 0.00 -1.18 0.12 107.32 104.07 1pus s GLY 9 Ca 0.31 1.02 -0.28 0.00 0.00 0.00 0.00 44.72 45.77 1pus s GLY 9 CO 0.17 2.59 1.51 -0.26 0.00 0.00 0.00 173.10 177.11 1pus s ILE 10 N 2.55 3.71 -0.02 0.90 -4.36 -0.96 -4.59 121.20 118.44 1pus s ILE 10 Ca 0.10 0.62 -0.30 0.00 -0.26 0.00 0.00 60.65 60.80 1pus s ILE 10 Cb -0.15 -4.26 -0.05 0.00 1.25 0.00 0.00 42.46 39.25 1pus s ILE 10 CO -0.15 -1.01 1.36 -0.63 0.24 0.00 0.00 174.94 174.75 1pus s ILE 11 N 6.46 3.84 -0.06 8.37 1.01 -1.26 -2.95 121.20 136.61 1pus s ILE 11 Ca 0.58 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 1pus s ILE 11 Cb -0.13 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1pus s ILE 11 CO 0.26 -0.01 0.39 -0.13 0.00 0.00 0.00 174.94 175.46 1pus s ARG 12 N 2.45 4.07 0.26 2.79 1.81 -1.25 0.89 118.95 129.97 1pus s ARG 12 Ca 0.62 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.97 1pus s ARG 12 Cb -0.30 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 30.94 1pus s ARG 12 CO 0.25 0.47 0.35 0.27 -0.68 0.00 0.00 175.30 175.97 1pus n ASN 13 N 2.63 0.49 0.00 0.23 0.23 0.40 -3.15 115.26 116.10 1pus n ASN 13 Ca -0.12 -1.41 0.12 0.00 -0.53 0.00 0.00 54.58 52.64 1pus n ASN 13 Cb 0.52 -0.23 0.70 0.00 -2.08 0.00 0.00 39.78 38.69 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1pus n GLU 14 N -1.65 0.67 -2.06 -3.83 4.07 -1.26 -3.46 120.64 113.12 1pus n GLU 14 Ca 0.06 0.01 -0.25 0.00 -0.06 0.00 0.00 57.16 56.93 1pus n GLU 14 Cb 0.21 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.11 1pus n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1pus n ASN 15 N -1.06 4.97 -1.86 4.31 4.05 -1.26 -4.92 115.26 119.50 1pus n ASN 15 Ca 0.17 -3.75 -0.07 0.00 0.45 0.00 0.00 54.58 51.38 1pus n ASN 15 Cb 0.11 -0.37 -0.02 0.00 1.23 0.00 0.00 39.78 40.73 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 -0.69 -2.32 -4.62 1.20 0.23 -1.22 -4.90 115.26 102.94 1pus n ASN 16 Ca 0.44 0.25 -0.23 0.00 -0.53 0.00 0.00 54.58 54.51 1pus n ASN 16 Cb 0.92 -2.19 -0.08 0.00 -2.08 0.00 0.00 39.78 36.35 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 -3.85 2.17 -0.05 -3.83 2.02 -1.26 -4.57 118.70 109.33 1pus s GLU 17 Ca 0.00 -1.52 0.05 0.00 0.02 0.00 0.00 54.97 53.52 1pus s GLU 17 Cb 0.00 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 1pus s GLU 17 CO 0.00 0.31 -0.19 -1.50 0.02 0.00 0.00 175.26 173.90 1pus s ILE 18 N -2.39 2.59 -0.72 -1.63 2.07 0.18 0.15 121.20 121.46 1pus s ILE 18 Ca 0.32 -0.89 -0.26 0.00 -1.41 0.00 0.00 60.65 58.41 1pus s ILE 18 Cb -0.05 -1.98 0.04 0.00 0.13 0.00 0.00 42.46 40.60 1pus s ILE 18 CO 0.19 0.58 1.19 0.12 -1.91 0.00 0.00 174.94 175.12 1pus s PHE 19 N -0.54 2.39 -0.24 3.50 5.36 0.26 -2.00 117.98 126.72 1pus s PHE 19 Ca 0.07 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.83 1pus s PHE 19 Cb -0.11 -4.54 0.03 0.00 -0.34 0.00 0.00 43.02 38.06 1pus s PHE 19 CO 0.01 -1.96 -0.09 0.96 -1.46 0.00 0.00 175.22 172.68 1pus s ILE 20 N 5.26 2.66 -0.11 3.12 -4.36 -1.24 -4.31 121.20 122.23 1pus s ILE 20 Ca 0.32 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 59.33 1pus s ILE 20 Cb -0.10 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1pus s ILE 20 CO 0.13 0.23 1.17 0.28 0.24 0.00 0.00 174.94 177.00 1pus s THR 21 N 1.29 4.37 -1.14 8.37 -1.32 -1.12 -4.36 115.64 121.75 1pus s THR 21 Ca -0.00 1.68 -0.17 0.00 -1.21 0.00 0.00 61.69 61.99 1pus s THR 21 Cb -0.16 -4.08 0.12 0.00 -1.51 0.00 0.00 72.50 66.87 1pus s THR 21 CO -0.06 -0.05 1.43 -0.60 -2.21 0.00 0.00 174.62 173.13 1pus s ARG 22 N 2.61 3.88 -1.46 7.08 3.52 -1.26 -2.42 118.95 130.91 1pus s ARG 22 Ca 0.53 -2.06 -0.01 0.00 -0.13 0.00 0.00 55.73 54.06 1pus s ARG 22 Cb -0.22 -5.17 0.01 0.00 -1.56 0.00 0.00 34.95 28.00 1pus s ARG 22 CO 0.18 -1.94 0.33 0.54 -0.81 0.00 0.00 175.30 173.60 1pus n ARG 23 N 6.90 -2.71 0.00 5.12 5.12 -1.26 -3.72 116.66 126.11 1pus n ARG 23 Ca 0.36 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 1pus n ARG 23 Cb 0.46 -4.32 0.00 0.00 -1.16 0.00 0.00 32.46 27.44 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 -4.44 0.00 0.00 7.54 0.00 -1.26 -4.15 120.51 118.19 1pus n ALA 24 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pus n ALA 24 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 3.20 0.00 -0.91 0.00 0.00 -1.24 -4.29 120.51 117.26 1pus n ALA 25 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pus n ALA 25 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1pus n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pus n ASP 26 N 0.00 3.32 0.00 0.00 5.75 -1.26 -4.81 116.55 119.55 1pus n ASP 26 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1pus n ASP 26 Cb 0.00 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pus n ALA 27 N 6.09 0.00 -4.13 2.12 0.00 -1.26 -4.77 120.51 118.56 1pus n ALA 27 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1pus n ALA 27 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 -1.49 -2.51 0.00 -0.00 -1.26 -3.55 115.22 106.41 1pus n HIS 28 Ca 0.00 0.70 -0.01 0.00 -0.00 0.00 0.00 57.72 58.41 1pus n HIS 28 Cb 0.00 -3.26 -0.01 0.00 -0.00 0.00 0.00 29.99 26.72 1pus n HIS 28 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1pus n MET 29 N -4.46 -3.23 0.07 -0.41 2.81 -1.26 -4.77 117.12 105.88 1pus n MET 29 Ca -0.27 2.60 0.07 0.00 -1.81 0.00 0.00 57.70 58.30 1pus n MET 29 Cb 0.67 -4.68 0.33 0.00 -0.71 0.00 0.00 33.22 28.83 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 0.81 1.34 0.83 3.04 0.00 -1.23 -1.91 120.51 123.39 1pus n ALA 30 Ca -0.09 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1pus n ALA 30 Cb 0.14 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.84 1.93 -0.87 0.00 5.03 -1.21 -3.80 115.26 114.50 1pus n ASN 31 Ca 0.01 -2.12 0.02 0.00 0.87 0.00 0.00 54.58 53.37 1pus n ASN 31 Cb 0.11 -0.31 0.21 0.00 -1.02 0.00 0.00 39.78 38.76 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 0.29 1.95 -1.64 3.52 4.01 -0.80 -1.87 118.16 123.62 1pus n LYS 32 Ca 0.10 -3.05 -0.56 0.00 -0.51 0.00 0.00 58.31 54.29 1pus n LYS 32 Cb 0.36 -1.75 -0.07 0.00 -0.51 0.00 0.00 35.03 33.06 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1pus n LEU 33 N -1.04 2.30 -4.12 -0.35 0.00 -0.20 -4.33 117.00 109.27 1pus n LEU 33 Ca 0.26 0.94 -0.12 0.00 0.00 0.00 0.00 56.01 57.10 1pus n LEU 33 Cb 0.90 -1.15 -0.08 0.00 0.00 0.00 0.00 43.42 43.09 1pus n LEU 33 CO 0.12 -0.48 -0.04 -1.61 0.00 0.00 0.00 177.39 175.38 1pus s GLU 34 N 4.16 1.44 0.38 1.96 0.41 -1.01 -3.66 118.70 122.37 1pus s GLU 34 Ca 1.01 -1.54 0.08 0.00 -0.41 0.00 0.00 54.97 54.12 1pus s GLU 34 Cb -1.05 0.36 -0.07 0.00 -1.78 0.00 0.00 34.13 31.59 1pus s GLU 34 CO 0.63 -0.54 -0.02 -0.59 -0.49 0.00 0.00 175.26 174.25 1pus s PHE 35 N -3.94 2.48 1.06 1.61 -0.71 -1.26 -2.79 117.98 114.44 1pus s PHE 35 Ca 0.32 -0.59 -0.21 0.00 -1.04 0.00 0.00 56.93 55.41 1pus s PHE 35 Cb 0.03 -1.63 -0.01 0.00 -1.21 0.00 0.00 43.02 40.20 1pus s PHE 35 CO 0.13 0.49 -0.53 -0.35 -1.34 0.00 0.00 175.22 173.61 1pus n PRO 36 N -0.92 -0.89 0.00 1.99 -0.04 -1.26 -4.79 135.00 129.09 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 0.65 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 2.56 0.83 2.98 0.55 0.00 -1.26 -3.11 105.19 107.74 1pus n GLY 37 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 0.58 0.00 -0.02 0.00 -1.24 -3.23 107.32 101.71 1pus s GLY 38 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1pus s GLY 38 CO 0.00 0.11 0.00 1.17 0.00 0.00 0.00 173.10 174.38 1pus n LYS 39 N 3.63 0.00 0.14 2.90 4.81 -1.26 -4.94 118.16 123.44 1pus n LYS 39 Ca -0.22 0.01 0.16 0.00 -0.87 0.00 0.00 58.31 57.39 1pus n LYS 39 Cb 0.53 -1.17 0.73 0.00 0.02 0.00 0.00 35.03 35.14 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 0.69 0.00 3.15 3.07 -1.86 -3.14 117.51 119.43 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 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 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 -4.19 0.00 0.00 0.16 0.28 -1.22 -4.28 120.64 111.38 1pus n GLU 41 Ca 0.03 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1pus n GLU 41 Cb 0.37 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.11 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 -1.47 0.00 -0.96 3.44 2.81 -1.19 -2.33 117.12 117.42 1pus n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1pus n MET 42 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -0.20 1.49 3.03 0.00 -1.26 -5.13 105.19 103.11 1pus n GLY 43 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.12 0.39 -3.80 1.61 1.02 -0.99 -5.08 120.64 113.67 1pus n GLU 44 Ca -0.07 -1.06 -0.27 0.00 -0.02 0.00 0.00 57.16 55.74 1pus n GLU 44 Cb 0.44 -0.24 -0.03 0.00 -0.02 0.00 0.00 31.44 31.59 1pus n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1pus s THR 45 N -0.97 5.26 0.61 2.62 2.01 -1.26 -4.75 115.64 119.16 1pus s THR 45 Ca 0.25 -0.46 0.26 0.00 0.31 0.00 0.00 61.69 62.05 1pus s THR 45 Cb -0.01 -3.72 0.36 0.00 0.01 0.00 0.00 72.50 69.14 1pus s THR 45 CO 0.17 -0.10 1.47 1.55 -0.69 0.00 0.00 174.62 177.02 1pus h PRO 46 N 2.19 0.00 0.00 4.92 0.13 -1.99 1.35 132.00 138.60 1pus h PRO 46 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 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 -2.22 0.39 -0.23 0.00 0.00 178.00 176.63 1pus n GLU 47 N -3.31 0.52 0.08 0.86 4.71 -1.26 -4.50 120.64 117.73 1pus n GLU 47 Ca 0.17 0.14 0.13 0.00 -0.01 0.00 0.00 57.16 57.59 1pus n GLU 47 Cb 1.22 -1.41 0.45 0.00 -1.01 0.00 0.00 31.44 30.70 1pus n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pus n GLN 48 N -3.28 0.20 0.17 3.49 1.13 -0.26 -3.08 117.38 115.75 1pus n GLN 48 Ca -0.39 0.16 -0.14 0.00 -1.94 0.00 0.00 57.00 54.68 1pus n GLN 48 Cb 0.89 -1.73 -0.08 0.00 0.11 0.00 0.00 30.24 29.43 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pus h ALA 49 N 2.64 -0.38 0.08 -1.58 0.00 0.15 0.47 119.26 120.64 1pus h ALA 49 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1pus h ALA 49 Cb 0.68 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1pus h ALA 49 CO 0.00 -0.69 -0.70 -0.39 0.00 0.00 0.00 179.25 177.47 1pus h VAL 50 N -0.44 1.49 -0.79 0.00 -1.51 -1.79 -1.91 116.25 111.30 1pus h VAL 50 Ca -0.04 -2.34 0.08 0.00 -1.23 0.00 0.00 66.70 63.17 1pus h VAL 50 Cb 0.33 2.97 -0.07 0.00 -2.13 0.00 0.00 31.29 32.39 1pus h VAL 50 CO 0.06 0.67 0.45 0.58 -1.23 0.00 0.00 177.57 178.11 1pus h VAL 51 N -0.29 0.94 0.00 7.19 2.07 -1.58 1.46 116.25 126.04 1pus h VAL 51 Ca -0.11 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pus h VAL 51 Cb 1.48 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1pus h VAL 51 CO 0.13 0.14 -0.01 -0.09 0.02 0.00 0.00 177.57 177.77 1pus h ARG 52 N 0.79 0.00 0.00 1.57 2.43 -1.00 -3.29 114.38 114.88 1pus h ARG 52 Ca 0.37 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1pus h ARG 52 Cb 0.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1pus h ARG 52 CO -0.22 0.92 -0.00 1.49 -1.51 0.00 0.00 179.97 180.65 1pus h GLU 53 N -0.91 0.00 -0.58 0.20 4.22 -1.20 -2.98 114.58 113.33 1pus h GLU 53 Ca -0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1pus h GLU 53 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1pus h GLU 53 CO 0.00 0.00 0.30 -0.07 -2.18 0.00 0.00 179.01 177.06 1pus h LEU 54 N 0.00 0.43 -1.72 1.64 4.07 0.20 0.49 115.31 120.42 1pus h LEU 54 Ca -0.00 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1pus h LEU 54 Cb 0.42 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1pus h LEU 54 CO 0.00 0.28 0.06 1.56 -1.08 0.00 0.00 178.44 179.27 1pus h GLN 55 N 0.57 0.24 0.00 1.13 4.20 -1.66 1.42 115.11 121.01 1pus h GLN 55 Ca 0.26 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 1pus h GLN 55 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1pus h GLN 55 CO -0.18 0.21 -0.45 1.49 -0.67 0.00 0.00 178.83 179.23 1pus h GLU 56 N 0.25 0.00 -0.34 1.46 4.22 -0.86 0.83 114.58 120.14 1pus h GLU 56 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1pus h GLU 56 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pus h GLU 56 CO -0.01 0.45 0.00 0.39 -2.18 0.00 0.00 179.01 177.66 1pus n GLU 57 N -3.34 2.29 0.00 1.92 4.71 0.15 0.14 120.64 126.50 1pus n GLU 57 Ca 0.01 -2.02 0.00 0.00 -0.01 0.00 0.00 57.16 55.14 1pus n GLU 57 Cb 0.64 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.70 1pus n GLU 57 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1pus n VAL 58 N 0.96 0.00 0.00 2.62 3.14 0.46 -4.32 118.33 121.20 1pus n VAL 58 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1pus n VAL 58 Cb 0.47 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1pus n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pus n GLY 59 N 2.07 0.48 1.71 7.55 0.00 0.29 0.99 105.19 118.28 1pus n GLY 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.73 -0.61 -6.64 -1.26 -4.82 119.36 102.30 1pus n ILE 60 Ca 0.00 -0.54 -0.36 0.00 -1.77 0.00 0.00 62.75 60.08 1pus n ILE 60 Cb 0.00 -1.53 -0.10 0.00 -1.44 0.00 0.00 39.64 36.57 1pus n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1pus s THR 61 N -1.86 3.68 0.02 7.28 -4.23 -1.26 -4.98 115.64 114.30 1pus s THR 61 Ca 0.32 -3.17 0.04 0.00 -1.18 0.00 0.00 61.69 57.69 1pus s THR 61 Cb -0.01 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 1pus s THR 61 CO 0.22 -0.91 -0.07 -2.16 -0.54 0.00 0.00 174.62 171.16 1pus s PRO 62 N -0.32 2.49 -1.24 3.99 0.04 -1.26 -3.23 135.00 135.45 1pus s PRO 62 Ca 0.19 -0.78 -0.20 0.00 0.04 0.00 0.00 61.00 60.25 1pus s PRO 62 Cb -0.18 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1pus s PRO 62 CO -0.05 0.58 1.84 1.04 0.04 0.00 0.00 177.00 180.46 1pus n GLN 63 N 1.37 2.40 -4.87 4.56 6.02 -0.30 -4.85 117.38 121.71 1pus n GLN 63 Ca -0.15 -2.86 -0.31 0.00 -0.01 0.00 0.00 57.00 53.66 1pus n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 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 7.60 2.48 0.00 1.08 2.46 -1.24 -0.28 115.29 127.39 1pus s HIS 64 Ca 0.61 -1.13 0.00 0.00 0.47 0.00 0.00 55.06 55.01 1pus s HIS 64 Cb 0.02 -1.69 0.00 0.00 -0.13 0.00 0.00 32.58 30.78 1pus s HIS 64 CO 0.11 -0.50 0.00 0.34 -2.47 0.00 0.00 174.74 172.22 1pus n PHE 65 N 3.84 0.00 0.00 3.88 7.35 -1.12 -4.94 117.46 126.46 1pus n PHE 65 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1pus n PHE 65 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1pus n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pus n SER 66 N 0.00 -0.01 -4.57 -2.13 2.88 -1.24 -4.12 113.62 104.43 1pus n SER 66 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1pus n SER 66 Cb 0.00 0.89 -0.11 0.00 -0.75 0.00 0.00 64.21 64.24 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 -2.64 3.59 0.04 2.46 0.05 -1.26 0.17 118.68 121.09 1pus s LEU 67 Ca 0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 54.13 54.04 1pus s LEU 67 Cb 0.00 -1.90 -0.33 0.00 -2.05 0.00 0.00 46.19 41.91 1pus s LEU 67 CO 0.00 0.15 1.02 0.15 -0.55 0.00 0.00 176.35 177.11 1pus h PHE 68 N 6.88 0.81 -1.87 3.48 3.04 -1.62 -3.42 116.94 124.24 1pus h PHE 68 Ca -0.35 -0.59 0.19 0.00 3.98 0.00 0.00 57.97 61.19 1pus h PHE 68 Cb 1.18 -0.03 -0.17 0.00 2.56 0.00 0.00 35.95 39.49 1pus h PHE 68 CO 0.56 1.49 0.66 -2.00 -2.02 0.00 0.00 178.31 177.00 1pus s GLU 69 N -2.62 0.57 -0.06 1.11 2.12 -0.46 -5.00 118.70 114.37 1pus s GLU 69 Ca -0.08 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 1pus s GLU 69 Cb 0.05 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1pus s GLU 69 CO 0.92 -0.25 0.13 -1.59 -0.54 0.00 0.00 175.26 173.93 1pus s LYS 70 N -2.77 0.09 -0.11 4.30 -2.85 -1.26 -0.32 119.74 116.83 1pus s LYS 70 Ca 0.08 0.32 0.02 0.00 -1.00 0.00 0.00 55.97 55.38 1pus s LYS 70 Cb -0.01 -0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.62 1pus s LYS 70 CO -0.06 -0.13 -0.19 -1.17 0.10 0.00 0.00 175.35 173.90 1pus s LEU 71 N 0.93 2.40 -0.25 2.77 2.96 0.12 -4.96 118.68 122.65 1pus s LEU 71 Ca -0.07 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1pus s LEU 71 Cb -0.09 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.15 1pus s LEU 71 CO -0.04 0.17 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.37 1pus s GLU 72 N 0.32 1.89 0.02 1.98 2.12 -1.26 -0.90 118.70 122.87 1pus s GLU 72 Ca -0.15 -1.15 -0.02 0.00 0.36 0.00 0.00 54.97 54.01 1pus s GLU 72 Cb -0.17 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 1pus s GLU 72 CO 0.07 -0.59 0.01 -0.47 -0.54 0.00 0.00 175.26 173.75 1pus s TYR 73 N 1.26 0.22 -0.15 5.30 5.04 -1.18 -5.03 117.35 122.82 1pus s TYR 73 Ca -0.07 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.11 1pus s TYR 73 Cb -0.19 -0.17 0.01 0.00 0.35 0.00 0.00 41.96 41.97 1pus s TYR 73 CO -0.06 -0.23 -0.20 -1.83 -1.34 0.00 0.00 175.55 171.90 1pus s GLU 74 N -1.59 2.81 0.85 4.97 -1.05 -1.26 -2.06 118.70 121.37 1pus s GLU 74 Ca -0.14 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 53.79 1pus s GLU 74 Cb -0.08 -2.36 0.10 0.00 -0.44 0.00 0.00 34.13 31.35 1pus s GLU 74 CO -0.01 -0.10 1.09 -0.06 0.95 0.00 0.00 175.26 177.13 1pus s PHE 75 N 1.05 2.44 -0.73 4.83 0.40 0.35 -4.78 117.98 121.53 1pus s PHE 75 Ca -0.02 1.36 -0.17 0.00 -0.60 0.00 0.00 56.93 57.50 1pus s PHE 75 Cb -0.14 -3.12 -0.17 0.00 0.51 0.00 0.00 43.02 40.10 1pus s PHE 75 CO -0.06 -2.14 1.86 -0.35 0.70 0.00 0.00 175.22 175.23 1pus n PRO 76 N -3.73 0.13 -0.19 0.24 -0.04 -1.26 0.12 135.00 130.27 1pus n PRO 76 Ca 0.08 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1pus n PRO 76 Cb 0.54 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 14.05 -0.57 -4.03 3.54 2.03 -1.26 -5.09 116.55 125.22 1pus n ASP 77 Ca 0.33 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.53 1pus n ASP 77 Cb 0.44 -0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.45 -0.45 -0.67 3.52 0.32 -3.89 118.95 117.66 1pus s ARG 78 Ca 0.00 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1pus s ARG 78 Cb 0.00 -0.16 0.12 0.00 -1.56 0.00 0.00 34.95 33.35 1pus s ARG 78 CO 0.00 0.02 0.18 -1.01 -0.81 0.00 0.00 175.30 173.67 1pus s HIS 79 N -1.40 3.36 -0.38 5.12 3.76 -1.11 0.13 115.29 124.77 1pus s HIS 79 Ca -0.12 -3.08 -0.14 0.00 -0.15 0.00 0.00 55.06 51.57 1pus s HIS 79 Cb -0.10 -2.83 0.01 0.00 1.11 0.00 0.00 32.58 30.77 1pus s HIS 79 CO -0.00 -0.82 0.27 -1.50 -0.85 0.00 0.00 174.74 171.83 1pus s ILE 80 N 0.20 5.18 -0.29 0.60 2.07 -0.88 -0.33 121.20 127.75 1pus s ILE 80 Ca 0.15 -0.53 -0.14 0.00 -1.41 0.00 0.00 60.65 58.72 1pus s ILE 80 Cb -0.23 -3.81 -0.03 0.00 0.13 0.00 0.00 42.46 38.52 1pus s ILE 80 CO -0.03 -0.19 0.32 0.42 -1.91 0.00 0.00 174.94 173.54 1pus s THR 81 N 1.68 5.21 -0.29 4.00 -4.23 -0.80 -3.10 115.64 118.12 1pus s THR 81 Ca 0.05 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1pus s THR 81 Cb -0.18 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1pus s THR 81 CO 0.10 0.12 0.04 -0.22 -0.54 0.00 0.00 174.62 174.11 1pus s LEU 82 N 1.97 3.69 -0.21 4.79 2.96 -0.08 -0.62 118.68 131.19 1pus s LEU 82 Ca 0.12 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1pus s LEU 82 Cb -0.16 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1pus s LEU 82 CO 0.11 -0.19 -0.02 0.26 -1.32 0.00 0.00 176.35 175.18 1pus s TRP 83 N 1.42 2.99 -0.37 5.38 0.52 -0.24 0.11 118.94 128.75 1pus s TRP 83 Ca 0.01 -0.69 -0.10 0.00 0.02 0.00 0.00 56.10 55.34 1pus s TRP 83 Cb -0.17 -2.09 0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1pus s TRP 83 CO 0.00 -0.39 0.19 -0.06 0.02 0.00 0.00 176.95 176.71 1pus s PHE 84 N 1.23 3.25 0.05 -1.98 0.40 0.57 0.11 117.98 121.60 1pus s PHE 84 Ca 0.03 -1.07 -0.02 0.00 -0.60 0.00 0.00 56.93 55.27 1pus s PHE 84 Cb -0.14 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 1pus s PHE 84 CO -0.00 -0.67 0.22 -1.58 0.70 0.00 0.00 175.22 173.89 1pus s TRP 85 N 1.52 3.53 -0.07 0.36 0.52 0.32 -1.36 118.94 123.76 1pus s TRP 85 Ca 0.01 0.33 -0.11 0.00 0.02 0.00 0.00 56.10 56.35 1pus s TRP 85 Cb -0.19 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.26 1pus s TRP 85 CO 0.06 0.59 0.28 -1.17 0.02 0.00 0.00 176.95 176.73 1pus s LEU 86 N -2.33 4.41 0.05 2.99 2.96 0.46 -2.26 118.68 124.95 1pus s LEU 86 Ca 0.33 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 55.01 1pus s LEU 86 Cb -0.13 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1pus s LEU 86 CO 0.25 0.33 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.69 1pus s VAL 87 N -0.84 1.78 -0.04 1.68 1.01 -1.15 -2.81 120.40 120.03 1pus s VAL 87 Ca 0.19 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.96 1pus s VAL 87 Cb -0.14 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 34.58 1pus s VAL 87 CO 0.08 0.21 0.11 -0.62 0.00 0.00 0.00 175.10 174.88 1pus n GLU 88 N 1.74 1.38 -3.54 2.72 1.02 -1.03 -3.79 120.64 119.14 1pus n GLU 88 Ca -0.17 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 1pus n GLU 88 Cb 0.53 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.39 1.20 -0.25 3.49 6.06 0.62 -4.59 118.95 123.08 1pus s ARG 89 Ca -0.03 -0.51 -0.11 0.00 -2.50 0.00 0.00 55.73 52.58 1pus s ARG 89 Cb 0.04 0.51 0.10 0.00 0.06 0.00 0.00 34.95 35.66 1pus s ARG 89 CO 0.32 -0.53 0.58 1.67 -2.50 0.00 0.00 175.30 174.83 1pus s TRP 90 N -3.54 -1.05 0.40 5.12 -2.14 -1.20 -1.14 118.94 115.39 1pus s TRP 90 Ca 0.05 1.96 -0.24 0.00 2.66 0.00 0.00 56.10 60.53 1pus s TRP 90 Cb -0.02 0.58 -0.09 0.00 -3.10 0.00 0.00 33.47 30.84 1pus s TRP 90 CO -0.08 -0.55 1.04 -2.00 -2.66 0.00 0.00 176.95 172.71 1pus s GLU 91 N 2.31 4.17 6.92 3.25 2.12 -1.20 -4.80 118.70 131.46 1pus s GLU 91 Ca -0.07 1.49 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1pus s GLU 91 Cb -0.10 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.77 1pus s GLU 91 CO -0.17 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1pus n GLY 92 N 0.30 3.68 3.23 -1.50 0.00 -1.26 -4.61 105.19 105.03 1pus n GLY 92 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 1.40 0.01 1.61 2.02 -1.26 -5.12 118.70 117.36 1pus s GLU 93 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 1pus s GLU 93 Cb 0.00 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1pus s GLU 93 CO 0.00 0.38 1.12 -2.14 0.02 0.00 0.00 175.26 174.65 1pus s PRO 94 N -1.00 4.45 0.15 0.39 0.02 -1.26 -4.70 135.00 133.05 1pus s PRO 94 Ca 0.07 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1pus s PRO 94 Cb -0.08 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1pus s PRO 94 CO 0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pus n TRP 95 N 4.27 -1.06 0.00 6.54 4.27 -0.41 -4.95 117.44 126.11 1pus n TRP 95 Ca 0.09 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1pus n TRP 95 Cb 0.48 0.34 0.00 0.00 -1.36 0.00 0.00 31.31 30.77 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 2.24 0.51 0.89 -1.67 0.00 0.28 -3.30 105.19 104.14 1pus n GLY 96 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.02 0.07 1.61 0.00 0.37 -4.59 118.16 115.64 1pus n LYS 97 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 58.31 58.10 1pus n LYS 97 Cb 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 35.03 35.28 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 0.02 0.48 -0.29 1.64 4.11 -1.74 -3.47 114.58 115.33 1pus h GLU 98 Ca -0.02 -0.57 -0.04 0.00 0.07 0.00 0.00 59.36 58.80 1pus h GLU 98 Cb 0.71 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1pus h GLU 98 CO -0.01 1.21 -0.05 0.41 0.07 0.00 0.00 179.01 180.64 1pus n GLY 99 N 1.13 0.29 2.49 1.06 0.00 -1.26 -5.03 105.19 103.87 1pus n GLY 99 Ca -0.09 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.11 0.49 0.15 1.61 -0.21 -1.26 -4.82 119.66 111.51 1pus s GLN 100 Ca 0.00 -1.17 -0.34 0.00 0.02 0.00 0.00 55.36 53.87 1pus s GLN 100 Cb -0.00 -1.24 -0.16 0.00 1.00 0.00 0.00 33.01 32.60 1pus s GLN 100 CO 0.00 -1.18 1.17 -2.30 -2.12 0.00 0.00 175.29 170.86 1pus n PRO 101 N 4.25 1.05 -4.41 2.91 -0.02 -1.26 -4.60 135.00 132.92 1pus n PRO 101 Ca 0.09 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.73 1pus n PRO 101 Cb 0.38 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.05 2.37 0.05 -1.23 0.00 -1.26 -4.30 107.32 103.00 1pus s GLY 102 Ca 0.76 -1.60 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 1pus s GLY 102 CO 0.52 -1.67 0.05 -0.54 0.00 0.00 0.00 173.10 171.45 1pus s GLU 103 N -3.68 0.63 -0.40 2.90 2.02 -1.26 -4.97 118.70 113.94 1pus s GLU 103 Ca 0.31 -0.99 -0.28 0.00 0.02 0.00 0.00 54.97 54.04 1pus s GLU 103 Cb 0.03 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 1pus s GLU 103 CO 0.18 -0.15 1.93 -1.58 0.02 0.00 0.00 175.26 175.66 1pus s TRP 104 N -3.36 1.62 0.10 1.61 0.51 -1.26 -3.62 118.94 114.54 1pus s TRP 104 Ca 0.02 0.75 0.10 0.00 -2.12 0.00 0.00 56.10 54.85 1pus s TRP 104 Cb 0.03 -4.04 -0.04 0.00 -0.81 0.00 0.00 33.47 28.62 1pus s TRP 104 CO -0.08 -2.89 -0.27 -1.64 -0.51 0.00 0.00 176.95 171.56 1pus s MET 105 N 6.33 1.54 -0.23 4.98 -1.94 -0.84 -4.93 119.30 124.21 1pus s MET 105 Ca 0.81 -1.27 -0.29 0.00 -1.71 0.00 0.00 55.69 53.23 1pus s MET 105 Cb -0.21 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1pus s MET 105 CO 0.30 0.47 1.60 -1.54 -0.01 0.00 0.00 175.02 175.84 1pus s SER 106 N -1.80 6.39 0.42 3.03 1.04 -1.26 0.49 113.70 122.00 1pus s SER 106 Ca 0.13 1.58 0.17 0.00 0.48 0.00 0.00 55.95 58.32 1pus s SER 106 Cb -0.10 -2.53 0.92 0.00 0.10 0.00 0.00 66.02 64.40 1pus s SER 106 CO 0.05 -1.26 1.89 0.25 0.98 0.00 0.00 173.24 175.15 1pus h LEU 107 N 11.69 0.00 -2.23 2.42 7.12 -1.84 -2.52 115.31 129.95 1pus h LEU 107 Ca -0.33 0.00 0.04 0.00 0.13 0.00 0.00 57.88 57.72 1pus h LEU 107 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 1pus h LEU 107 CO 1.00 0.29 0.25 1.62 -0.13 0.00 0.00 178.44 181.48 1pus h VAL 108 N 0.00 0.22 -0.67 1.05 3.04 -1.89 0.09 116.25 118.08 1pus h VAL 108 Ca -0.00 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.27 1pus h VAL 108 Cb 0.57 0.77 -0.25 0.00 -2.01 0.00 0.00 31.29 30.38 1pus h VAL 108 CO 0.04 0.00 0.07 0.61 -1.01 0.00 0.00 177.57 177.28 1pus n GLY 109 N -1.30 5.40 3.77 3.17 0.00 -0.95 -4.98 105.19 110.31 1pus n GLY 109 Ca 0.01 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.47 4.36 -0.08 0.99 2.96 0.02 -5.01 118.68 118.45 1pus s LEU 110 Ca 0.52 2.91 0.04 0.00 -0.22 0.00 0.00 54.13 57.38 1pus s LEU 110 Cb 0.44 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1pus s LEU 110 CO 0.02 -0.76 -0.20 0.20 -1.32 0.00 0.00 176.35 174.29 1pus s ASN 111 N -0.20 2.63 0.27 3.68 -0.87 -1.26 -4.89 114.94 114.30 1pus s ASN 111 Ca 0.52 -0.46 0.25 0.00 -1.57 0.00 0.00 52.86 51.60 1pus s ASN 111 Cb -0.44 -1.09 0.96 0.00 -0.02 0.00 0.00 41.25 40.66 1pus s ASN 111 CO 0.58 0.14 1.74 0.00 -2.57 0.00 0.00 177.10 176.99 1pus h ALA 112 N 6.65 1.00 0.01 0.60 0.00 -1.95 -2.95 119.26 122.62 1pus h ALA 112 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1pus h ALA 112 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pus h ALA 112 CO 0.47 0.00 -0.07 0.22 0.00 0.00 0.00 179.25 179.87 1pus h ASP 113 N 0.00 0.05 -0.15 0.00 1.82 -1.94 -3.35 116.42 112.85 1pus h ASP 113 Ca 0.00 -0.93 -0.10 0.00 -0.39 0.00 0.00 57.03 55.61 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 -0.24 -2.24 -1.61 0.00 0.00 179.24 176.12 1pus h ASP 114 N -0.87 0.60 -3.85 2.28 2.03 -1.84 -3.42 116.42 111.36 1pus h ASP 114 Ca -0.01 -0.21 -0.46 0.00 -0.73 0.00 0.00 57.03 55.62 1pus h ASP 114 Cb 0.99 -0.16 0.12 0.00 -0.83 0.00 0.00 39.33 39.44 1pus h ASP 114 CO 0.01 0.83 0.33 0.72 -1.03 0.00 0.00 179.24 180.11 1pus s PHE 115 N -4.54 2.24 0.06 4.15 -0.71 -1.12 -1.03 117.98 117.03 1pus s PHE 115 Ca -0.08 0.37 -0.31 0.00 -1.04 0.00 0.00 56.93 55.87 1pus s PHE 115 Cb 0.13 -3.60 -0.07 0.00 -1.21 0.00 0.00 43.02 38.28 1pus s PHE 115 CO 0.81 -2.02 1.39 -1.25 -1.34 0.00 0.00 175.22 172.81 1pus s PRO 116 N -5.56 4.31 0.31 1.99 0.04 -0.78 -4.27 135.00 131.05 1pus s PRO 116 Ca 0.67 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.95 1pus s PRO 116 Cb -0.07 -3.41 1.15 0.00 0.04 0.00 0.00 34.50 32.20 1pus s PRO 116 CO 0.49 -0.49 1.71 -1.00 0.04 0.00 0.00 177.00 177.75 1pus h PRO 117 N 7.30 0.00 0.00 0.56 0.13 -1.77 -2.30 132.00 135.92 1pus h PRO 117 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1pus n ALA 118 N -1.79 1.90 -1.70 -0.56 0.00 -1.26 -2.98 120.51 114.12 1pus n ALA 118 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pus n ALA 118 Cb 0.11 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 18.42 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 2.30 0.03 0.00 5.03 -0.86 -4.77 115.26 115.51 1pus n ASN 119 Ca 0.05 -3.85 -0.11 0.00 0.87 0.00 0.00 54.58 51.54 1pus n ASN 119 Cb 0.22 -0.49 0.01 0.00 -1.02 0.00 0.00 39.78 38.50 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 1.23 0.51 -0.73 3.52 4.39 -1.70 -2.90 114.58 118.90 1pus h GLU 120 Ca 0.07 -0.41 0.14 0.00 0.34 0.00 0.00 59.36 59.50 1pus h GLU 120 Cb 1.12 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.75 1pus h GLU 120 CO 0.14 1.03 0.25 -1.35 -1.16 0.00 0.00 179.01 177.93 1pus h PRO 121 N 0.36 0.37 0.02 2.33 0.11 -1.87 1.56 132.00 134.88 1pus h PRO 121 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1pus h PRO 121 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pus h PRO 121 CO 0.13 0.24 -0.01 0.28 -0.21 0.00 0.00 178.00 178.44 1pus h VAL 122 N 0.38 1.49 -0.24 3.15 2.07 -1.95 -3.32 116.25 117.83 1pus h VAL 122 Ca 0.40 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1pus h VAL 122 Cb 0.63 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1pus h VAL 122 CO -0.43 0.47 0.01 0.40 0.02 0.00 0.00 177.57 178.03 1pus h ILE 123 N -0.89 1.15 -0.69 4.57 1.08 -1.28 -2.14 117.51 119.31 1pus h ILE 123 Ca -0.00 -0.57 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 1pus h ILE 123 Cb 0.78 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 1pus h ILE 123 CO 0.00 0.19 0.46 0.00 -0.69 0.00 0.00 178.15 178.12 1pus h ALA 124 N 1.67 2.11 -0.02 1.87 0.00 0.22 1.48 119.26 126.58 1pus h ALA 124 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pus h ALA 124 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pus h ALA 124 CO 0.00 -0.29 -0.00 -0.22 0.00 0.00 0.00 179.25 178.74 1pus h LYS 125 N 0.38 0.04 0.00 0.00 3.64 -1.48 -2.99 116.57 116.16 1pus h LYS 125 Ca 0.33 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1pus h LYS 125 Cb 0.76 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1pus h LYS 125 CO -0.10 0.37 -0.55 1.25 -2.27 0.00 0.00 179.45 178.15 1pus h LEU 126 N -0.30 0.00 -0.77 5.20 7.12 -1.33 -3.27 115.31 121.97 1pus h LEU 126 Ca 0.01 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.05 1pus h LEU 126 Cb 0.35 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.43 1pus h LEU 126 CO 0.00 0.55 0.48 0.50 -0.13 0.00 0.00 178.44 179.84 1pus h LYS 127 N 0.00 0.90 0.00 1.25 3.64 0.21 0.29 116.57 122.85 1pus h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pus h LYS 127 Cb 1.33 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1pus h LYS 127 CO 0.07 0.59 0.00 -2.13 -2.27 0.00 0.00 179.45 175.71 1pus n ARG 128 N -4.64 0.32 -0.16 1.90 0.63 -1.13 -4.95 116.66 108.64 1pus n ARG 128 Ca 0.09 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1pus n ARG 128 Cb 0.11 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40