#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pus s LYS 2 N 0.00 3.99 0.01 0.03 2.47 -1.26 -5.03 119.74 119.95 1pus s LYS 2 Ca 0.00 1.53 0.01 0.00 -1.56 0.00 0.00 55.97 55.95 1pus s LYS 2 Cb 0.00 -2.41 -0.01 0.00 -1.46 0.00 0.00 37.83 33.95 1pus s LYS 2 CO 0.00 -0.30 -0.04 -1.59 0.16 0.00 0.00 175.35 173.58 1pus s LYS 3 N -2.71 0.31 -0.12 4.03 -2.85 -1.26 -3.00 119.74 114.13 1pus s LYS 3 Ca 0.61 -0.29 -0.04 0.00 -1.00 0.00 0.00 55.97 55.24 1pus s LYS 3 Cb -0.22 -0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.41 1pus s LYS 3 CO 0.27 0.05 0.24 -0.48 0.10 0.00 0.00 175.35 175.53 1pus s LEU 4 N -0.53 -0.25 0.16 2.77 0.05 0.20 -4.96 118.68 116.13 1pus s LEU 4 Ca -0.03 0.54 0.04 0.00 0.05 0.00 0.00 54.13 54.73 1pus s LEU 4 Cb -0.04 0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 44.68 1pus s LEU 4 CO -0.00 -0.24 0.24 -1.10 -0.55 0.00 0.00 176.35 174.70 1pus s GLN 5 N 2.38 3.24 -0.12 1.48 -0.21 -1.26 -2.32 119.66 122.86 1pus s GLN 5 Ca 0.02 -0.72 -0.05 0.00 0.02 0.00 0.00 55.36 54.63 1pus s GLN 5 Cb -0.12 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.11 1pus s GLN 5 CO -0.08 0.50 0.24 0.96 -2.12 0.00 0.00 175.29 174.79 1pus s ILE 6 N -1.78 -0.33 -0.13 1.08 -0.00 0.31 -3.88 121.20 116.47 1pus s ILE 6 Ca 0.33 0.27 0.02 0.00 -0.00 0.00 0.00 60.65 61.27 1pus s ILE 6 Cb -0.10 -0.41 0.01 0.00 -0.00 0.00 0.00 42.46 41.96 1pus s ILE 6 CO 0.27 0.11 -0.19 0.00 -0.00 0.00 0.00 174.94 175.13 1pus s ALA 7 N 2.20 2.02 0.30 2.27 0.00 -1.01 -1.05 121.76 126.49 1pus s ALA 7 Ca -0.00 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.10 1pus s ALA 7 Cb -0.12 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1pus s ALA 7 CO -0.08 -0.07 -0.13 0.14 0.00 0.00 0.00 175.76 175.62 1pus s VAL 8 N 0.93 2.19 -0.12 0.00 -7.23 0.29 -3.81 120.40 112.65 1pus s VAL 8 Ca -0.06 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 57.80 1pus s VAL 8 Cb -0.15 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.39 1pus s VAL 8 CO -0.03 -0.31 0.24 -0.83 -0.31 0.00 0.00 175.10 173.86 1pus s GLY 9 N -3.53 -0.07 -0.48 2.32 0.00 -1.21 0.65 107.32 105.00 1pus s GLY 9 Ca 0.30 0.84 -0.28 0.00 0.00 0.00 0.00 44.72 45.59 1pus s GLY 9 CO 0.15 1.85 1.71 -0.42 0.00 0.00 0.00 173.10 176.39 1pus s ILE 10 N 2.31 3.53 -0.08 0.90 1.01 -0.94 -4.65 121.20 123.29 1pus s ILE 10 Ca 0.01 0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 1pus s ILE 10 Cb -0.12 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1pus s ILE 10 CO -0.08 -0.75 1.42 -0.63 0.00 0.00 0.00 174.94 174.90 1pus s ILE 11 N 7.38 3.90 -0.10 2.92 1.01 -1.26 -2.83 121.20 132.23 1pus s ILE 11 Ca 0.69 1.16 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 1pus s ILE 11 Cb -0.16 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1pus s ILE 11 CO 0.27 -0.07 0.77 -0.13 0.00 0.00 0.00 174.94 175.79 1pus s ARG 12 N 3.27 4.39 0.23 2.79 1.81 -1.24 -1.91 118.95 128.30 1pus s ARG 12 Ca 0.63 0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 55.58 1pus s ARG 12 Cb -0.28 -3.50 0.05 0.00 -0.45 0.00 0.00 34.95 30.77 1pus s ARG 12 CO 0.23 -0.09 0.32 -1.71 -0.68 0.00 0.00 175.30 173.37 1pus n ASN 13 N 4.31 0.12 -0.24 0.23 4.05 0.59 -3.00 115.26 121.33 1pus n ASN 13 Ca 0.01 -1.17 0.08 0.00 0.45 0.00 0.00 54.58 53.95 1pus n ASN 13 Cb 0.50 -0.24 0.38 0.00 1.23 0.00 0.00 39.78 41.65 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1pus n GLU 14 N -1.66 1.31 -2.80 1.20 2.13 -1.26 -4.03 120.64 115.53 1pus n GLU 14 Ca 0.04 -0.47 -0.11 0.00 0.66 0.00 0.00 57.16 57.29 1pus n GLU 14 Cb 0.15 -1.28 0.02 0.00 0.27 0.00 0.00 31.44 30.60 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 -0.27 1.07 -1.84 4.31 4.05 -1.26 -4.95 115.26 116.37 1pus n ASN 15 Ca 0.12 -2.79 -0.06 0.00 0.45 0.00 0.00 54.58 52.31 1pus n ASN 15 Cb 0.16 -0.44 -0.01 0.00 1.23 0.00 0.00 39.78 40.72 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 0.01 -1.94 -4.41 1.20 0.23 -1.26 -4.90 115.26 104.19 1pus n ASN 16 Ca 0.12 0.25 -0.30 0.00 -0.53 0.00 0.00 54.58 54.12 1pus n ASN 16 Cb 0.78 -1.89 -0.13 0.00 -2.08 0.00 0.00 39.78 36.45 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1pus s GLU 17 N -3.79 1.95 -0.08 -3.83 -1.05 -1.26 -4.26 118.70 106.39 1pus s GLU 17 Ca 0.00 -1.04 0.03 0.00 -0.15 0.00 0.00 54.97 53.81 1pus s GLU 17 Cb 0.00 -2.10 -0.02 0.00 -0.44 0.00 0.00 34.13 31.57 1pus s GLU 17 CO 0.00 0.53 -0.16 0.42 0.95 0.00 0.00 175.26 177.00 1pus s ILE 18 N -0.88 2.89 -0.32 1.83 1.01 0.47 0.22 121.20 126.42 1pus s ILE 18 Ca 0.13 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 1pus s ILE 18 Cb -0.10 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1pus s ILE 18 CO 0.04 0.57 1.04 0.12 0.00 0.00 0.00 174.94 176.71 1pus s PHE 19 N -0.28 3.16 -0.11 3.97 2.19 -0.80 -2.19 117.98 123.92 1pus s PHE 19 Ca 0.02 1.15 0.02 0.00 0.33 0.00 0.00 56.93 58.45 1pus s PHE 19 Cb -0.13 -3.63 -0.01 0.00 -1.31 0.00 0.00 43.02 37.94 1pus s PHE 19 CO 0.03 -0.74 -0.19 0.42 1.83 0.00 0.00 175.22 176.57 1pus s ILE 20 N 3.56 2.57 -0.33 3.12 1.01 -1.22 -4.31 121.20 125.61 1pus s ILE 20 Ca 0.44 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 1pus s ILE 20 Cb -0.12 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1pus s ILE 20 CO 0.15 0.55 1.55 0.42 0.00 0.00 0.00 174.94 177.61 1pus s THR 21 N 0.23 3.77 0.64 2.92 -4.23 0.32 -3.90 115.64 115.39 1pus s THR 21 Ca -0.12 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1pus s THR 21 Cb -0.16 -3.93 0.07 0.00 1.34 0.00 0.00 72.50 69.82 1pus s THR 21 CO 0.06 -0.51 0.89 -0.60 -0.54 0.00 0.00 174.62 173.92 1pus s ARG 22 N 4.96 2.20 0.00 3.99 3.00 -1.16 -0.95 118.95 130.99 1pus s ARG 22 Ca 0.68 -0.76 0.00 0.00 -1.00 0.00 0.00 55.73 54.65 1pus s ARG 22 Cb -0.19 -2.37 0.00 0.00 0.00 0.00 0.00 34.95 32.39 1pus s ARG 22 CO 0.31 -1.05 0.74 0.54 0.00 0.00 0.00 175.30 175.84 1pus n ARG 23 N -2.62 0.81 -1.59 5.12 5.12 -1.26 -4.47 116.66 117.77 1pus n ARG 23 Ca 0.10 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.85 1pus n ARG 23 Cb 0.60 -1.14 -0.07 0.00 -1.16 0.00 0.00 32.46 30.69 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 0.52 -0.30 -1.92 7.54 0.00 -1.26 -1.68 120.51 123.41 1pus n ALA 24 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1pus n ALA 24 Cb 0.37 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 0.66 -0.48 0.00 0.00 0.00 -1.26 -4.80 120.51 114.63 1pus n ALA 25 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pus n ALA 25 Cb 0.57 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.20 0.00 -2.67 0.00 5.68 -0.67 -5.02 116.55 112.66 1pus n ASP 26 Ca -0.15 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.10 1pus n ASP 26 Cb 0.54 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.56 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pus n ALA 27 N 0.00 -3.60 -0.74 2.12 0.00 -1.23 -5.05 120.51 112.02 1pus n ALA 27 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pus n ALA 27 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.28 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 2.22 0.00 -3.85 0.00 8.25 -1.26 -4.33 115.22 116.25 1pus n HIS 28 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1pus n HIS 28 Cb 0.67 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.65 1pus n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1pus s MET 29 N 0.00 1.86 0.00 -0.41 -1.94 -1.26 -4.94 119.30 112.62 1pus s MET 29 Ca 0.00 -1.82 0.17 0.00 -1.71 0.00 0.00 55.69 52.33 1pus s MET 29 Cb 0.00 -3.46 0.76 0.00 2.01 0.00 0.00 34.83 34.14 1pus s MET 29 CO 0.00 -1.02 1.53 0.00 -0.01 0.00 0.00 175.02 175.52 1pus n ALA 30 N 4.50 1.82 -0.57 3.03 0.00 -1.26 -3.01 120.51 125.02 1pus n ALA 30 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1pus n ALA 30 Cb 0.42 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.70 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 3.92 -0.92 0.00 4.13 -1.25 -4.18 115.26 115.50 1pus n ASN 31 Ca 0.05 -3.11 0.01 0.00 1.68 0.00 0.00 54.58 53.21 1pus n ASN 31 Cb 0.18 -0.76 0.21 0.00 -1.54 0.00 0.00 39.78 37.86 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 -0.55 2.02 -1.61 3.52 5.02 -1.03 -2.10 118.16 123.42 1pus n LYS 32 Ca 0.41 -3.05 -0.54 0.00 -2.02 0.00 0.00 58.31 53.11 1pus n LYS 32 Cb 1.21 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.01 1.67 0.00 -0.35 0.00 -0.78 -4.41 117.00 112.12 1pus n LEU 33 Ca 0.27 1.11 -0.04 0.00 0.00 0.00 0.00 56.01 57.35 1pus n LEU 33 Cb 0.92 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 43.19 1pus n LEU 33 CO 0.14 -0.98 0.17 1.21 0.00 0.00 0.00 177.39 177.93 1pus n GLU 34 N 3.04 0.40 -4.51 1.96 4.07 -0.12 -3.62 120.64 121.86 1pus n GLU 34 Ca 0.20 -0.96 -0.25 0.00 -0.06 0.00 0.00 57.16 56.09 1pus n GLU 34 Cb 0.17 1.10 -0.10 0.00 -0.06 0.00 0.00 31.44 32.54 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 -5.65 2.36 1.10 4.31 0.40 -1.26 0.12 117.98 119.36 1pus s PHE 35 Ca 0.08 -0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 55.80 1pus s PHE 35 Cb -0.01 -1.21 0.09 0.00 0.51 0.00 0.00 43.02 42.39 1pus s PHE 35 CO 0.06 0.65 -0.03 -0.35 0.70 0.00 0.00 175.22 176.25 1pus n PRO 36 N -0.72 -1.41 0.00 0.24 -0.04 -1.26 -4.78 135.00 127.04 1pus n PRO 36 Ca -0.05 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1pus n PRO 36 Cb 0.62 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.05 0.81 2.87 0.55 0.00 -1.26 -3.30 105.19 106.92 1pus n GLY 37 Ca 0.01 -0.78 -0.27 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 -1.66 0.87 0.00 -0.02 0.00 -1.25 -2.41 107.32 102.86 1pus s GLY 38 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1pus s GLY 38 CO 0.00 0.96 0.00 1.17 0.00 0.00 0.00 173.10 175.23 1pus n LYS 39 N 4.92 0.00 -0.14 2.90 4.81 -1.26 -4.98 118.16 124.41 1pus n LYS 39 Ca -0.11 0.00 0.28 0.00 -0.87 0.00 0.00 58.31 57.60 1pus n LYS 39 Cb 0.48 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.25 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 0.48 0.00 3.15 3.07 -1.84 -3.01 117.51 119.37 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 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.09 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 -4.10 0.00 0.00 0.16 0.28 -1.25 -4.12 120.64 111.61 1pus n GLU 41 Ca 0.17 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 1pus n GLU 41 Cb 0.94 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.06 0.00 -0.93 3.44 2.81 -1.14 -2.63 117.12 117.61 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 -0.01 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 -0.09 1.91 3.03 0.00 -1.26 -5.15 105.19 103.62 1pus n GLY 43 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.11 -0.12 -3.84 1.61 4.71 -1.08 -5.09 120.64 116.72 1pus n GLU 44 Ca -0.09 -1.20 -0.27 0.00 -0.01 0.00 0.00 57.16 55.58 1pus n GLU 44 Cb 0.46 -0.47 -0.03 0.00 -1.01 0.00 0.00 31.44 30.38 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 -1.84 5.28 0.59 2.62 2.01 -1.26 -4.77 115.64 118.28 1pus s THR 45 Ca 0.35 -0.51 0.31 0.00 0.31 0.00 0.00 61.69 62.15 1pus s THR 45 Cb -0.01 -3.72 0.45 0.00 0.01 0.00 0.00 72.50 69.22 1pus s THR 45 CO 0.24 -0.09 1.53 1.55 -0.69 0.00 0.00 174.62 177.15 1pus h PRO 46 N 2.21 0.00 0.00 4.92 0.13 -1.99 1.19 132.00 138.47 1pus h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 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 -2.16 0.39 -0.23 0.00 0.00 178.00 176.69 1pus n GLU 47 N -3.52 0.63 0.04 0.86 1.02 -1.26 -4.48 120.64 113.92 1pus n GLU 47 Ca 0.22 0.10 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 1pus n GLU 47 Cb 1.36 -1.41 0.53 0.00 -0.02 0.00 0.00 31.44 31.90 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 -3.04 0.09 0.19 3.49 6.02 -0.11 -3.25 117.38 120.78 1pus n GLN 48 Ca -0.35 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.57 1pus n GLN 48 Cb 0.90 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 30.48 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 2.83 -0.41 0.06 -1.58 0.00 0.11 0.14 119.26 120.41 1pus h ALA 49 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1pus h ALA 49 Cb 0.59 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pus h ALA 49 CO 0.00 -0.73 -0.54 -0.39 0.00 0.00 0.00 179.25 177.59 1pus h VAL 50 N -0.41 1.54 -0.88 0.00 -1.51 -1.80 -1.89 116.25 111.29 1pus h VAL 50 Ca -0.04 -2.29 0.10 0.00 -1.23 0.00 0.00 66.70 63.23 1pus h VAL 50 Cb 0.32 3.01 -0.06 0.00 -2.13 0.00 0.00 31.29 32.42 1pus h VAL 50 CO 0.07 0.64 0.57 0.58 -1.23 0.00 0.00 177.57 178.20 1pus h VAL 51 N -0.43 0.97 0.04 7.19 2.07 -1.59 1.38 116.25 125.88 1pus h VAL 51 Ca -0.08 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1pus h VAL 51 Cb 1.35 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1pus h VAL 51 CO 0.10 0.16 -0.36 0.03 0.02 0.00 0.00 177.57 177.52 1pus h ARG 52 N 0.87 0.17 0.00 1.57 2.47 -0.80 -3.26 114.38 115.40 1pus h ARG 52 Ca 0.41 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1pus h ARG 52 Cb 0.41 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1pus h ARG 52 CO -0.17 1.05 -0.06 1.49 0.56 0.00 0.00 179.97 182.84 1pus h GLU 53 N -0.59 0.00 -0.65 0.04 4.57 -0.89 -2.94 114.58 114.12 1pus h GLU 53 Ca -0.06 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1pus h GLU 53 Cb 1.21 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 1pus h GLU 53 CO 0.07 0.06 0.33 1.25 -1.18 0.00 0.00 179.01 179.54 1pus h LEU 54 N 0.00 0.44 -1.29 1.64 5.85 0.18 1.05 115.31 123.17 1pus h LEU 54 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1pus h LEU 54 Cb 0.43 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1pus h LEU 54 CO 0.01 0.27 0.01 1.56 -0.34 0.00 0.00 178.44 179.95 1pus h GLN 55 N 0.58 0.49 0.00 1.25 7.50 -1.65 1.24 115.11 124.52 1pus h GLN 55 Ca 0.31 -0.09 -0.11 0.00 0.50 0.00 0.00 58.65 59.26 1pus h GLN 55 Cb 0.27 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1pus h GLN 55 CO -0.23 0.51 -0.51 1.49 -1.50 0.00 0.00 178.83 178.59 1pus h GLU 56 N 0.47 0.00 -0.24 1.46 4.81 -0.89 0.39 114.58 120.58 1pus h GLU 56 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1pus h GLU 56 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1pus h GLU 56 CO 0.01 0.51 0.00 0.39 -0.73 0.00 0.00 179.01 179.18 1pus n GLU 57 N -3.33 1.98 0.00 1.92 -0.58 0.34 0.20 120.64 121.16 1pus n GLU 57 Ca 0.01 -1.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 1pus n GLU 57 Cb 0.68 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 0.76 0.00 0.00 2.62 0.31 0.42 -4.23 118.33 118.21 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 0.41 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.47 2.13 2.92 0.00 0.14 0.54 105.19 113.39 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 -4.85 119.36 103.58 1pus n ILE 60 Ca 0.00 -0.48 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 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 -2.51 3.79 -0.02 7.28 -4.23 -1.26 -4.94 115.64 113.75 1pus s THR 61 Ca 0.42 -3.10 0.01 0.00 -1.18 0.00 0.00 61.69 57.84 1pus s THR 61 Cb -0.02 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1pus s THR 61 CO 0.30 -0.91 -0.02 -2.16 -0.54 0.00 0.00 174.62 171.29 1pus s PRO 62 N -0.26 2.74 -1.24 3.99 0.04 -1.26 -3.14 135.00 135.87 1pus s PRO 62 Ca 0.18 -0.61 -0.20 0.00 0.04 0.00 0.00 61.00 60.41 1pus s PRO 62 Cb -0.18 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1pus s PRO 62 CO -0.04 0.63 1.84 1.04 0.04 0.00 0.00 177.00 180.51 1pus n GLN 63 N 1.60 2.40 -5.12 4.56 6.02 0.04 -4.84 117.38 122.03 1pus n GLN 63 Ca -0.16 -2.87 -0.32 0.00 -0.01 0.00 0.00 57.00 53.64 1pus n GLN 63 Cb 0.53 -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 7.59 2.60 0.00 1.08 2.46 -1.23 -0.16 115.29 127.63 1pus s HIS 64 Ca 0.61 -1.02 0.00 0.00 0.47 0.00 0.00 55.06 55.12 1pus s HIS 64 Cb 0.02 -1.73 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 1pus s HIS 64 CO 0.11 -0.41 0.00 0.34 -2.47 0.00 0.00 174.74 172.31 1pus n PHE 65 N 3.57 0.00 0.00 3.88 7.35 -1.15 -4.93 117.46 126.17 1pus n PHE 65 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1pus n PHE 65 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 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 0.00 -4.90 -2.13 2.88 -1.22 -4.02 113.62 104.24 1pus n SER 66 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1pus n SER 66 Cb 0.00 0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.26 4.13 -0.04 2.46 -0.00 -1.26 0.14 118.68 121.85 1pus s LEU 67 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 54.13 54.15 1pus s LEU 67 Cb 0.00 -2.70 -0.02 0.00 -0.00 0.00 0.00 46.19 43.47 1pus s LEU 67 CO 0.00 0.02 -0.04 0.33 -0.00 0.00 0.00 176.35 176.66 1pus n PHE 68 N -0.72 0.00 -3.58 3.48 -0.00 -0.76 -4.24 117.46 111.63 1pus n PHE 68 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.32 1pus n PHE 68 Cb 0.55 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.48 39.86 1pus n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1pus s GLU 69 N -2.08 0.57 -0.06 -4.13 2.12 -0.23 -5.00 118.70 109.89 1pus s GLU 69 Ca -0.05 -0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 1pus s GLU 69 Cb 0.02 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.68 1pus s GLU 69 CO 0.09 -0.25 0.14 -1.59 -0.54 0.00 0.00 175.26 173.10 1pus s LYS 70 N -2.74 0.10 -0.11 4.30 -2.85 -1.26 -0.01 119.74 117.17 1pus s LYS 70 Ca 0.09 0.32 0.02 0.00 -1.00 0.00 0.00 55.97 55.40 1pus s LYS 70 Cb -0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.65 1pus s LYS 70 CO -0.05 -0.14 -0.17 -1.17 0.10 0.00 0.00 175.35 173.92 1pus s LEU 71 N 0.94 1.82 -0.25 2.77 2.96 0.13 -4.96 118.68 122.09 1pus s LEU 71 Ca -0.07 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1pus s LEU 71 Cb -0.09 -1.17 0.05 0.00 0.50 0.00 0.00 46.19 45.48 1pus s LEU 71 CO -0.05 0.04 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.23 1pus s GLU 72 N 0.90 2.51 0.03 1.98 2.12 -1.26 -0.65 118.70 124.33 1pus s GLU 72 Ca -0.08 -1.18 -0.02 0.00 0.36 0.00 0.00 54.97 54.05 1pus s GLU 72 Cb -0.15 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1pus s GLU 72 CO -0.01 -0.49 0.01 1.52 -0.54 0.00 0.00 175.26 175.75 1pus s TYR 73 N 1.20 0.29 -0.03 5.30 1.13 -1.22 -5.01 117.35 119.01 1pus s TYR 73 Ca -0.04 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.06 1pus s TYR 73 Cb -0.18 -0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1pus s TYR 73 CO -0.05 -0.27 -0.21 -1.83 -2.51 0.00 0.00 175.55 170.67 1pus s GLU 74 N -2.22 2.27 0.47 -3.49 -1.05 -1.26 -2.76 118.70 110.66 1pus s GLU 74 Ca -0.09 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 53.88 1pus s GLU 74 Cb -0.04 -2.18 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1pus s GLU 74 CO -0.03 0.59 0.73 -0.06 0.95 0.00 0.00 175.26 177.43 1pus s PHE 75 N -0.66 3.38 -0.81 4.83 0.40 0.43 -4.92 117.98 120.63 1pus s PHE 75 Ca 0.11 0.51 -0.20 0.00 -0.60 0.00 0.00 56.93 56.75 1pus s PHE 75 Cb -0.10 -2.33 -0.18 0.00 0.51 0.00 0.00 43.02 40.92 1pus s PHE 75 CO -0.00 -0.35 1.97 -0.35 0.70 0.00 0.00 175.22 177.19 1pus n PRO 76 N -2.19 0.17 -0.48 0.24 -0.04 -1.26 0.04 135.00 131.48 1pus n PRO 76 Ca 0.01 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1pus n PRO 76 Cb 0.57 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1pus n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pus n ASP 77 N 15.66 -1.45 -3.59 3.54 8.00 -1.26 -5.04 116.55 132.41 1pus n ASP 77 Ca 0.37 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 1pus n ASP 77 Cb 0.44 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.15 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pus s ARG 78 N -0.62 0.41 -0.32 -1.24 3.52 0.11 -4.55 118.95 116.24 1pus s ARG 78 Ca 0.00 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.51 1pus s ARG 78 Cb 0.00 -1.45 0.01 0.00 -1.56 0.00 0.00 34.95 31.95 1pus s ARG 78 CO 0.00 -1.03 1.16 -1.58 -0.81 0.00 0.00 175.30 173.03 1pus s HIS 79 N 1.82 2.97 0.19 5.12 5.65 -1.16 0.16 115.29 130.04 1pus s HIS 79 Ca 0.10 1.06 0.11 0.00 0.25 0.00 0.00 55.06 56.58 1pus s HIS 79 Cb -0.17 -3.81 -0.04 0.00 -1.18 0.00 0.00 32.58 27.38 1pus s HIS 79 CO -0.29 -1.12 -0.21 0.96 -0.65 0.00 0.00 174.74 173.42 1pus s ILE 80 N 3.92 2.51 -0.13 0.89 -4.36 -1.11 0.62 121.20 123.54 1pus s ILE 80 Ca 0.49 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1pus s ILE 80 Cb -0.13 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1pus s ILE 80 CO 0.19 -0.12 -0.08 0.42 0.24 0.00 0.00 174.94 175.59 1pus s THR 81 N -1.68 1.13 -0.31 8.37 -4.23 -0.98 -3.38 115.64 114.56 1pus s THR 81 Ca 0.22 -0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 1pus s THR 81 Cb -0.08 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.59 1pus s THR 81 CO 0.11 0.32 0.13 -0.22 -0.54 0.00 0.00 174.62 174.41 1pus s LEU 82 N 1.66 4.09 -0.20 4.79 2.96 0.18 0.11 118.68 132.27 1pus s LEU 82 Ca 0.04 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1pus s LEU 82 Cb -0.13 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1pus s LEU 82 CO -0.08 -0.22 -0.06 0.26 -1.32 0.00 0.00 176.35 174.92 1pus s TRP 83 N 1.55 2.94 -0.35 5.38 0.51 -0.22 0.21 118.94 128.96 1pus s TRP 83 Ca 0.03 -0.83 -0.07 0.00 -2.12 0.00 0.00 56.10 53.10 1pus s TRP 83 Cb -0.17 -2.05 0.04 0.00 -0.81 0.00 0.00 33.47 30.48 1pus s TRP 83 CO 0.05 -0.44 0.13 -0.06 -0.51 0.00 0.00 176.95 176.11 1pus s PHE 84 N 1.18 3.26 0.04 -1.98 0.40 0.98 0.11 117.98 121.97 1pus s PHE 84 Ca 0.02 -1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 54.99 1pus s PHE 84 Cb -0.14 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1pus s PHE 84 CO -0.01 -0.72 0.21 -1.58 0.70 0.00 0.00 175.22 173.81 1pus s TRP 85 N 1.43 3.53 0.00 0.36 0.52 0.21 -1.07 118.94 123.92 1pus s TRP 85 Ca -0.01 0.28 -0.16 0.00 0.02 0.00 0.00 56.10 56.23 1pus s TRP 85 Cb -0.20 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.29 1pus s TRP 85 CO 0.03 0.60 0.46 -1.17 0.02 0.00 0.00 176.95 176.90 1pus s LEU 86 N -2.38 4.46 0.06 2.99 2.96 0.38 -2.21 118.68 124.94 1pus s LEU 86 Ca 0.33 1.02 0.08 0.00 -0.22 0.00 0.00 54.13 55.34 1pus s LEU 86 Cb -0.13 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 1pus s LEU 86 CO 0.26 0.27 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.65 1pus s VAL 87 N -0.84 1.78 -0.05 1.68 1.01 -1.13 -2.94 120.40 119.91 1pus s VAL 87 Ca 0.25 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1pus s VAL 87 Cb -0.17 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1pus s VAL 87 CO 0.14 0.18 0.08 1.21 0.00 0.00 0.00 175.10 176.72 1pus n GLU 88 N 1.65 1.78 -3.45 2.72 2.13 -1.11 -3.70 120.64 120.67 1pus n GLU 88 Ca -0.18 -0.03 -0.11 0.00 0.66 0.00 0.00 57.16 57.50 1pus n GLU 88 Cb 0.53 -1.19 -0.02 0.00 0.27 0.00 0.00 31.44 31.03 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pus s ARG 89 N -2.32 1.12 -0.20 5.31 6.06 0.78 -4.57 118.95 125.12 1pus s ARG 89 Ca -0.03 -0.39 -0.08 0.00 -2.50 0.00 0.00 55.73 52.72 1pus s ARG 89 Cb 0.03 0.51 0.08 0.00 0.06 0.00 0.00 34.95 35.64 1pus s ARG 89 CO 0.31 -0.48 0.44 1.67 -2.50 0.00 0.00 175.30 174.74 1pus s TRP 90 N -3.46 -0.78 0.41 5.12 -2.14 -1.16 -0.78 118.94 116.14 1pus s TRP 90 Ca 0.02 1.53 -0.24 0.00 2.66 0.00 0.00 56.10 60.07 1pus s TRP 90 Cb -0.01 0.34 -0.09 0.00 -3.10 0.00 0.00 33.47 30.61 1pus s TRP 90 CO -0.11 -0.45 1.10 -1.21 -2.66 0.00 0.00 176.95 173.61 1pus s GLU 91 N 2.20 4.06 5.92 3.25 2.02 -1.19 -4.80 118.70 130.17 1pus s GLU 91 Ca -0.05 1.63 0.00 0.00 0.02 0.00 0.00 54.97 56.57 1pus s GLU 91 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1pus s GLU 91 CO -0.13 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1pus n GLY 92 N 0.43 3.38 3.28 -1.39 0.00 -1.26 -4.59 105.19 105.04 1pus n GLY 92 Ca 0.05 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.74 0.01 1.61 2.12 -1.26 -5.12 118.70 117.80 1pus s GLU 93 Ca 0.00 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 1pus s GLU 93 Cb 0.00 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 1pus s GLU 93 CO 0.00 0.47 1.13 -2.14 -0.54 0.00 0.00 175.26 174.18 1pus s PRO 94 N -0.89 4.45 0.18 4.30 0.02 -1.26 -4.67 135.00 137.14 1pus s PRO 94 Ca 0.09 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1pus s PRO 94 Cb -0.09 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.99 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 4.24 -1.30 0.00 6.54 4.27 0.53 -4.95 117.44 126.78 1pus n TRP 95 Ca 0.08 0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.92 1pus n TRP 95 Cb 0.48 0.33 0.00 0.00 -1.36 0.00 0.00 31.31 30.76 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 2.33 0.48 0.00 -1.67 0.00 0.19 -3.31 105.19 103.21 1pus n GLY 96 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1pus n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pus n LYS 97 N 0.00 0.00 0.25 1.61 0.00 0.54 -4.65 118.16 115.91 1pus n LYS 97 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.44 1pus n LYS 97 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 35.03 35.69 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pus h GLU 98 N 0.00 0.00 -0.71 1.64 -0.00 -1.71 -3.47 114.58 110.34 1pus h GLU 98 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.12 1pus h GLU 98 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 28.67 1pus h GLU 98 CO 0.00 0.14 -0.23 0.41 -0.00 0.00 0.00 179.01 179.33 1pus n GLY 99 N -0.33 1.11 2.50 1.06 0.00 -1.26 -4.98 105.19 103.29 1pus n GLY 99 Ca -0.01 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.20 0.43 0.12 1.61 -0.21 -1.26 -5.08 119.66 112.07 1pus s GLN 100 Ca 0.00 -1.04 -0.34 0.00 0.02 0.00 0.00 55.36 53.99 1pus s GLN 100 Cb 0.00 -1.22 -0.17 0.00 1.00 0.00 0.00 33.01 32.61 1pus s GLN 100 CO 0.00 -1.15 0.99 -2.30 -2.12 0.00 0.00 175.29 170.71 1pus n PRO 101 N 4.45 0.50 -4.40 2.91 -0.02 -1.26 -4.26 135.00 132.91 1pus n PRO 101 Ca 0.06 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.50 1pus n PRO 101 Cb 0.39 -1.57 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.22 2.37 0.05 -1.23 0.00 -1.26 -2.97 107.32 104.05 1pus s GLY 102 Ca 0.77 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 1pus s GLY 102 CO 0.55 -1.67 0.05 -1.83 0.00 0.00 0.00 173.10 170.20 1pus s GLU 103 N -3.68 0.61 -0.43 2.90 1.03 -1.25 -4.97 118.70 112.91 1pus s GLU 103 Ca 0.32 -0.96 -0.28 0.00 0.03 0.00 0.00 54.97 54.08 1pus s GLU 103 Cb 0.03 0.23 -0.02 0.00 -0.80 0.00 0.00 34.13 33.58 1pus s GLU 103 CO 0.19 -0.14 1.77 -1.58 -1.33 0.00 0.00 175.26 174.16 1pus s TRP 104 N -3.22 1.84 0.19 4.83 0.51 -1.26 -3.39 118.94 118.43 1pus s TRP 104 Ca 0.00 0.69 0.11 0.00 -2.12 0.00 0.00 56.10 54.78 1pus s TRP 104 Cb 0.03 -4.14 -0.04 0.00 -0.81 0.00 0.00 33.47 28.50 1pus s TRP 104 CO -0.07 -2.62 -0.24 0.00 -0.51 0.00 0.00 176.95 173.51 1pus s MET 105 N 6.01 1.52 -0.29 4.98 0.23 -0.93 -4.91 119.30 125.90 1pus s MET 105 Ca 0.73 -1.51 -0.29 0.00 -1.03 0.00 0.00 55.69 53.59 1pus s MET 105 Cb -0.18 -1.85 -0.00 0.00 -1.53 0.00 0.00 34.83 31.26 1pus s MET 105 CO 0.29 0.40 1.35 -1.54 -2.03 0.00 0.00 175.02 173.49 1pus s SER 106 N -2.63 6.62 0.47 -1.18 1.04 -1.26 0.18 113.70 116.93 1pus s SER 106 Ca 0.20 1.24 0.26 0.00 0.48 0.00 0.00 55.95 58.14 1pus s SER 106 Cb -0.08 -2.54 1.07 0.00 0.10 0.00 0.00 66.02 64.57 1pus s SER 106 CO 0.10 -1.12 1.88 0.25 0.98 0.00 0.00 173.24 175.33 1pus h LEU 107 N 11.04 0.00 -2.50 2.42 7.12 -1.82 -2.85 115.31 128.72 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 1.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1pus h LEU 107 CO 1.03 0.17 0.07 1.62 -0.13 0.00 0.00 178.44 181.20 1pus h VAL 108 N 0.00 0.00 -0.97 1.05 3.04 -1.90 -2.15 116.25 115.32 1pus h VAL 108 Ca -0.00 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.19 1pus h VAL 108 Cb 0.66 0.83 -0.42 0.00 -2.01 0.00 0.00 31.29 30.35 1pus h VAL 108 CO 0.02 0.00 -0.88 0.61 -1.01 0.00 0.00 177.57 176.31 1pus n GLY 109 N -1.15 5.07 3.74 3.17 0.00 -1.07 -4.92 105.19 110.03 1pus n GLY 109 Ca -0.03 -2.31 -0.37 0.00 0.00 0.00 0.00 46.02 43.31 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 -3.56 3.66 -0.11 0.99 2.96 -0.81 -5.01 118.68 116.80 1pus s LEU 110 Ca 0.44 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.91 1pus s LEU 110 Cb 0.40 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 42.55 1pus s LEU 110 CO -0.04 -1.75 -0.19 0.20 -1.32 0.00 0.00 176.35 173.25 1pus s ASN 111 N -1.41 2.67 0.24 3.68 -0.87 -1.26 -4.88 114.94 113.11 1pus s ASN 111 Ca 0.78 -0.48 0.24 0.00 -1.57 0.00 0.00 52.86 51.83 1pus s ASN 111 Cb -0.35 -1.22 0.94 0.00 -0.02 0.00 0.00 41.25 40.61 1pus s ASN 111 CO 0.38 0.07 1.73 0.00 -2.57 0.00 0.00 177.10 176.70 1pus n ALA 112 N 3.95 1.81 -0.05 0.60 0.00 -1.26 -2.82 120.51 122.74 1pus n ALA 112 Ca -0.20 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1pus n ALA 112 Cb 0.52 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1pus n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1pus h ASP 113 N 0.00 0.06 -0.48 0.00 1.82 -1.95 -3.35 116.42 112.52 1pus h ASP 113 Ca 0.00 -0.91 -0.11 0.00 -0.39 0.00 0.00 57.03 55.63 1pus h ASP 113 Cb 0.45 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1pus h ASP 113 CO 0.00 0.96 -0.10 -2.24 -1.61 0.00 0.00 179.24 176.25 1pus h ASP 114 N -0.83 0.95 -4.26 2.28 2.03 -1.86 -3.45 116.42 111.29 1pus h ASP 114 Ca -0.01 -0.30 -0.46 0.00 -0.73 0.00 0.00 57.03 55.53 1pus h ASP 114 Cb 0.98 -0.26 0.14 0.00 -0.83 0.00 0.00 39.33 39.36 1pus h ASP 114 CO 0.02 1.06 0.39 0.72 -1.03 0.00 0.00 179.24 180.40 1pus s PHE 115 N -4.84 2.18 0.02 4.15 -0.71 -1.13 -1.87 117.98 115.78 1pus s PHE 115 Ca -0.11 0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 56.04 1pus s PHE 115 Cb 0.13 -3.76 -0.05 0.00 -1.21 0.00 0.00 43.02 38.13 1pus s PHE 115 CO 0.85 -2.34 1.26 -1.25 -1.34 0.00 0.00 175.22 172.40 1pus s PRO 116 N -5.67 4.37 0.32 1.99 0.04 -0.89 -4.45 135.00 130.70 1pus s PRO 116 Ca 0.68 1.81 0.23 0.00 0.04 0.00 0.00 61.00 63.75 1pus s PRO 116 Cb -0.08 -3.44 1.16 0.00 0.04 0.00 0.00 34.50 32.18 1pus s PRO 116 CO 0.52 -0.39 1.69 -0.35 0.04 0.00 0.00 177.00 178.51 1pus n PRO 117 N 4.58 0.16 0.00 0.56 -0.04 -1.26 -2.00 135.00 137.00 1pus n PRO 117 Ca 0.11 0.60 0.08 0.00 -0.04 0.00 0.00 63.50 64.24 1pus n PRO 117 Cb 0.45 -1.96 0.35 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.75 -1.78 0.55 0.00 -1.26 -2.81 120.51 115.18 1pus n ALA 118 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pus n ALA 118 Cb 0.08 -1.26 0.16 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 2.22 0.03 0.00 5.03 -0.85 -4.79 115.26 115.43 1pus n ASN 119 Ca 0.04 -3.68 -0.11 0.00 0.87 0.00 0.00 54.58 51.71 1pus n ASN 119 Cb 0.18 -0.48 0.02 0.00 -1.02 0.00 0.00 39.78 38.49 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 1.24 0.49 -0.67 3.52 5.08 -1.69 -2.86 114.58 119.69 1pus h GLU 120 Ca 0.04 -0.38 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1pus h GLU 120 Cb 1.18 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 1pus h GLU 120 CO 0.15 1.01 0.19 -1.35 -1.00 0.00 0.00 179.01 178.00 1pus h PRO 121 N 0.35 0.31 0.02 2.33 0.11 -1.86 1.62 132.00 134.87 1pus h PRO 121 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pus h PRO 121 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pus h PRO 121 CO 0.13 0.20 -0.01 0.28 -0.21 0.00 0.00 178.00 178.39 1pus h VAL 122 N 0.32 1.48 -0.20 3.15 2.07 -1.96 -3.31 116.25 117.80 1pus h VAL 122 Ca 0.36 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1pus h VAL 122 Cb 0.56 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1pus h VAL 122 CO -0.43 0.46 0.01 0.40 0.02 0.00 0.00 177.57 178.04 1pus h ILE 123 N -0.89 1.12 -0.78 4.57 1.08 -1.29 -2.08 117.51 119.24 1pus h ILE 123 Ca -0.00 -0.46 0.13 0.00 -0.39 0.00 0.00 64.86 64.14 1pus h ILE 123 Cb 0.77 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 1pus h ILE 123 CO 0.00 0.16 0.51 0.00 -0.69 0.00 0.00 178.15 178.13 1pus h ALA 124 N 1.74 1.97 0.23 1.87 0.00 0.23 1.56 119.26 126.85 1pus h ALA 124 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pus h ALA 124 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pus h ALA 124 CO 0.00 -0.16 -0.11 0.87 0.00 0.00 0.00 179.25 179.85 1pus h LYS 125 N 0.54 -0.30 0.00 0.00 6.56 -1.48 -1.58 116.57 120.31 1pus h LYS 125 Ca 0.38 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.99 1pus h LYS 125 Cb 0.70 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1pus h LYS 125 CO -0.14 -0.01 -0.00 1.25 -2.06 0.00 0.00 179.45 178.48 1pus h LEU 126 N -0.58 0.00 -0.06 2.94 7.12 -1.41 -3.26 115.31 120.05 1pus h LEU 126 Ca -0.03 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.80 1pus h LEU 126 Cb 0.42 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1pus h LEU 126 CO 0.05 0.00 -0.67 0.50 -0.13 0.00 0.00 178.44 178.20 1pus h LYS 127 N 0.00 0.56 0.00 1.25 3.64 0.23 -2.87 116.57 119.38 1pus h LYS 127 Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1pus h LYS 127 Cb 0.92 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1pus h LYS 127 CO 0.00 1.15 0.00 -2.13 -2.27 0.00 0.00 179.45 176.20 1pus n ARG 128 N -4.12 0.01 0.00 1.90 0.63 -0.60 -4.86 116.66 109.62 1pus n ARG 128 Ca -0.09 0.34 0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1pus n ARG 128 Cb 0.69 -1.52 0.14 0.00 0.45 0.00 0.00 32.46 32.22 1pus n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59