#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 3.51 -0.04 2.12 2.20 -1.23 -5.06 119.74 121.23 1pus s LYS 2 Ca 0.00 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1pus s LYS 2 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1pus s LYS 2 CO 0.00 -0.13 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.14 1pus s LYS 3 N 1.35 1.47 0.01 4.03 -2.85 -1.26 -0.06 119.74 122.43 1pus s LYS 3 Ca 0.04 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 1pus s LYS 3 Cb -0.15 -1.30 -0.01 0.00 -2.06 0.00 0.00 37.83 34.32 1pus s LYS 3 CO -0.00 0.17 -0.02 -0.48 0.10 0.00 0.00 175.35 175.11 1pus s LEU 4 N 0.18 2.08 0.12 2.77 0.05 0.18 -4.91 118.68 119.15 1pus s LEU 4 Ca -0.05 -0.17 0.03 0.00 0.05 0.00 0.00 54.13 53.99 1pus s LEU 4 Cb -0.11 -0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 43.96 1pus s LEU 4 CO 0.02 -0.07 0.19 -1.10 -0.55 0.00 0.00 176.35 174.83 1pus s GLN 5 N -0.47 3.19 -0.10 1.48 -0.21 -1.26 -1.83 119.66 120.45 1pus s GLN 5 Ca -0.04 -0.66 -0.05 0.00 0.02 0.00 0.00 55.36 54.63 1pus s GLN 5 Cb -0.03 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.18 1pus s GLN 5 CO -0.00 0.54 0.24 0.42 -2.12 0.00 0.00 175.29 174.36 1pus s ILE 6 N -1.64 -0.11 -0.12 1.08 1.09 0.31 -3.67 121.20 118.14 1pus s ILE 6 Ca 0.33 0.18 0.02 0.00 -1.10 0.00 0.00 60.65 60.07 1pus s ILE 6 Cb -0.11 -0.38 0.02 0.00 -1.06 0.00 0.00 42.46 40.93 1pus s ILE 6 CO 0.26 0.07 -0.16 0.00 -0.10 0.00 0.00 174.94 175.01 1pus s ALA 7 N 1.49 1.78 0.30 9.38 0.00 -1.09 -0.45 121.76 133.18 1pus s ALA 7 Ca -0.07 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1pus s ALA 7 Cb -0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1pus s ALA 7 CO -0.08 -0.12 -0.06 0.14 0.00 0.00 0.00 175.76 175.64 1pus s VAL 8 N 1.04 2.79 -0.20 0.00 -7.23 0.38 -3.79 120.40 113.39 1pus s VAL 8 Ca -0.05 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1pus s VAL 8 Cb -0.15 -2.67 0.08 0.00 0.56 0.00 0.00 36.38 34.21 1pus s VAL 8 CO -0.03 -0.30 0.17 -0.83 -0.31 0.00 0.00 175.10 173.80 1pus s GLY 9 N -3.64 0.13 -0.68 2.32 0.00 -1.12 0.10 107.32 104.44 1pus s GLY 9 Ca 0.32 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 1pus s GLY 9 CO 0.18 2.01 1.84 -1.50 0.00 0.00 0.00 173.10 175.63 1pus s ILE 10 N 2.26 3.40 -0.03 0.90 2.07 -0.41 -4.56 121.20 124.82 1pus s ILE 10 Ca 0.05 0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 59.09 1pus s ILE 10 Cb -0.16 -4.03 -0.05 0.00 0.13 0.00 0.00 42.46 38.36 1pus s ILE 10 CO -0.12 -0.99 1.40 -0.63 -1.91 0.00 0.00 174.94 172.70 1pus s ILE 11 N 9.01 3.81 -0.19 2.00 1.01 -1.26 -2.61 121.20 132.97 1pus s ILE 11 Ca 0.66 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 1pus s ILE 11 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1pus s ILE 11 CO 0.16 -0.03 0.31 -0.13 0.00 0.00 0.00 174.94 175.25 1pus s ARG 12 N 2.77 4.19 0.27 2.79 1.81 -1.25 -2.21 118.95 127.31 1pus s ARG 12 Ca 0.63 0.06 -0.05 0.00 -1.72 0.00 0.00 55.73 54.66 1pus s ARG 12 Cb -0.30 -3.49 0.06 0.00 -0.45 0.00 0.00 34.95 30.77 1pus s ARG 12 CO 0.25 0.09 0.36 -1.71 -0.68 0.00 0.00 175.30 173.61 1pus n ASN 13 N 4.07 -0.03 -0.02 0.23 4.05 0.52 -3.15 115.26 120.93 1pus n ASN 13 Ca -0.11 -1.11 0.15 0.00 0.45 0.00 0.00 54.58 53.96 1pus n ASN 13 Cb 0.52 -0.27 0.84 0.00 1.23 0.00 0.00 39.78 42.09 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 -1.78 0.75 -2.61 1.20 4.07 -1.26 -3.86 120.64 117.15 1pus n GLU 14 Ca 0.04 -0.03 -0.14 0.00 -0.06 0.00 0.00 57.16 56.97 1pus n GLU 14 Cb 0.16 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.06 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 -1.09 2.40 -1.56 4.31 4.05 -1.26 -4.94 115.26 117.17 1pus n ASN 15 Ca 0.19 -2.99 -0.08 0.00 0.45 0.00 0.00 54.58 52.15 1pus n ASN 15 Cb 0.18 -0.51 -0.03 0.00 1.23 0.00 0.00 39.78 40.66 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 -0.20 -2.42 -4.59 1.20 6.94 -1.25 -4.90 115.26 110.03 1pus n ASN 16 Ca 0.18 0.23 -0.33 0.00 -0.02 0.00 0.00 54.58 54.63 1pus n ASN 16 Cb 0.78 -2.35 -0.11 0.00 -2.36 0.00 0.00 39.78 35.74 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 -3.32 2.71 0.12 -3.83 -1.05 -1.26 -4.11 118.70 107.96 1pus s GLU 17 Ca 0.00 -0.59 0.06 0.00 -0.15 0.00 0.00 54.97 54.30 1pus s GLU 17 Cb 0.00 -2.57 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 1pus s GLU 17 CO 0.00 0.65 -0.03 0.42 0.95 0.00 0.00 175.26 177.25 1pus s ILE 18 N -0.86 3.71 -0.53 1.83 1.01 0.47 0.19 121.20 127.01 1pus s ILE 18 Ca 0.14 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1pus s ILE 18 Cb -0.11 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.70 1pus s ILE 18 CO 0.03 0.04 0.48 0.12 0.00 0.00 0.00 174.94 175.61 1pus s PHE 19 N -1.41 3.28 -0.26 3.97 5.36 -0.94 -0.40 117.98 127.58 1pus s PHE 19 Ca 0.25 -1.38 -0.08 0.00 -0.96 0.00 0.00 56.93 54.76 1pus s PHE 19 Cb -0.11 -3.76 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 1pus s PHE 19 CO 0.17 -1.02 0.10 0.96 -1.46 0.00 0.00 175.22 173.97 1pus s ILE 20 N 1.56 4.53 -0.32 3.12 -4.36 -1.25 -4.51 121.20 119.97 1pus s ILE 20 Ca 0.03 -0.10 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 1pus s ILE 20 Cb -0.29 -3.13 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 1pus s ILE 20 CO 0.02 0.32 1.60 0.42 0.24 0.00 0.00 174.94 177.54 1pus s THR 21 N 1.63 3.71 0.48 8.37 -4.23 -0.40 -4.46 115.64 120.76 1pus s THR 21 Ca 0.06 0.76 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1pus s THR 21 Cb -0.15 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 69.86 1pus s THR 21 CO 0.05 -0.48 0.66 0.00 -0.54 0.00 0.00 174.62 174.32 1pus s ARG 22 N 5.04 2.63 -0.83 3.99 1.70 -1.26 -1.95 118.95 128.27 1pus s ARG 22 Ca 0.70 -1.25 -0.06 0.00 -0.47 0.00 0.00 55.73 54.65 1pus s ARG 22 Cb -0.20 -2.68 -0.07 0.00 -0.57 0.00 0.00 34.95 31.43 1pus s ARG 22 CO 0.31 -0.50 2.22 0.54 -1.08 0.00 0.00 175.30 176.79 1pus n ARG 23 N -2.04 2.08 0.00 3.89 5.12 -1.26 -4.74 116.66 119.71 1pus n ARG 23 Ca 0.10 -1.39 0.00 0.00 -1.93 0.00 0.00 57.85 54.63 1pus n ARG 23 Cb 0.60 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 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 3.93 0.00 -1.44 7.54 0.00 -1.26 -4.09 120.51 125.18 1pus n ALA 24 Ca 0.44 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1pus n ALA 24 Cb 0.20 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.84 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 0.07 3.36 -2.38 0.00 0.00 -1.26 -4.69 120.51 115.62 1pus n ALA 25 Ca 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 53.44 50.33 1pus n ALA 25 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.19 -0.00 0.00 0.00 5.75 -1.26 -5.07 116.55 114.79 1pus n ASP 26 Ca 0.19 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1pus n ASP 26 Cb 0.71 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.00 0.00 0.00 2.12 0.00 -1.26 -5.09 120.51 116.28 1pus n ALA 27 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1pus n ALA 27 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1pus n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pus n HIS 28 N -2.38 -0.70 -3.23 0.00 -0.00 -1.26 -5.05 115.22 102.59 1pus n HIS 28 Ca 0.00 0.03 -0.45 0.00 0.46 0.00 0.00 57.72 57.76 1pus n HIS 28 Cb 0.00 0.20 -0.01 0.00 -0.12 0.00 0.00 29.99 30.06 1pus n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pus s MET 29 N -1.16 3.88 0.00 1.57 0.23 -1.26 -4.84 119.30 117.72 1pus s MET 29 Ca 0.00 -2.65 0.19 0.00 -1.03 0.00 0.00 55.69 52.20 1pus s MET 29 Cb 0.00 -4.62 0.86 0.00 -1.53 0.00 0.00 34.83 29.53 1pus s MET 29 CO 0.00 -1.40 1.61 0.00 -2.03 0.00 0.00 175.02 173.20 1pus n ALA 30 N 4.09 1.91 -0.16 3.16 0.00 -1.26 -2.81 120.51 125.44 1pus n ALA 30 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1pus n ALA 30 Cb 0.44 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.82 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 3.88 -0.89 0.00 5.03 -1.24 -4.02 115.26 116.58 1pus n ASN 31 Ca 0.06 -2.58 0.02 0.00 0.87 0.00 0.00 54.58 52.94 1pus n ASN 31 Cb 0.20 -0.62 0.21 0.00 -1.02 0.00 0.00 39.78 38.55 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 0.35 1.98 -1.72 3.52 5.02 -0.88 -2.53 118.16 123.90 1pus n LYS 32 Ca 0.18 -3.05 -0.59 0.00 -2.02 0.00 0.00 58.31 52.83 1pus n LYS 32 Cb 0.84 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pus n LEU 33 N -1.02 2.20 0.00 -0.35 0.00 -0.23 -4.48 117.00 113.13 1pus n LEU 33 Ca 0.26 1.09 -0.09 0.00 0.00 0.00 0.00 56.01 57.28 1pus n LEU 33 Cb 0.91 -1.10 -0.03 0.00 0.00 0.00 0.00 43.42 43.19 1pus n LEU 33 CO 0.13 -0.50 -0.05 -0.62 0.00 0.00 0.00 177.39 176.35 1pus n GLU 34 N 5.15 0.36 -4.49 1.96 1.02 -0.82 -3.88 120.64 119.93 1pus n GLU 34 Ca 0.27 -1.43 -0.24 0.00 -0.02 0.00 0.00 57.16 55.73 1pus n GLU 34 Cb 0.10 1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 32.47 1pus n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1pus s PHE 35 N -2.46 2.31 1.11 -0.32 0.40 -1.26 -1.27 117.98 116.49 1pus s PHE 35 Ca 0.14 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.95 1pus s PHE 35 Cb 0.01 -1.08 0.15 0.00 0.51 0.00 0.00 43.02 42.61 1pus s PHE 35 CO 0.10 0.69 0.39 -0.35 0.70 0.00 0.00 175.22 176.75 1pus n PRO 36 N -0.66 -1.63 0.00 0.24 -0.04 -1.26 -4.77 135.00 126.88 1pus n PRO 36 Ca -0.05 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1pus n PRO 36 Cb 0.61 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.60 0.83 3.13 0.55 0.00 -1.25 -2.78 105.19 107.27 1pus n GLY 37 Ca 0.03 -0.79 -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 -1.70 1.01 0.00 -0.02 0.00 -1.25 -2.66 107.32 102.70 1pus s GLY 38 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1pus s GLY 38 CO 0.00 -0.21 0.00 1.17 0.00 0.00 0.00 173.10 174.06 1pus n LYS 39 N 3.45 0.00 0.01 2.90 4.81 -1.26 -4.94 118.16 123.13 1pus n LYS 39 Ca -0.20 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.46 1pus n LYS 39 Cb 0.52 -0.92 0.73 0.00 0.02 0.00 0.00 35.03 35.38 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 0.54 0.00 3.15 3.07 -1.84 -2.91 117.51 119.52 1pus h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1pus h ILE 40 Cb 0.00 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 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 -4.06 0.00 0.00 0.16 0.28 -1.24 -4.09 120.64 111.69 1pus n GLU 41 Ca 0.10 0.63 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1pus n GLU 41 Cb 0.68 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.27 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 -1.88 0.00 -0.73 3.44 2.81 -1.10 -1.53 117.12 118.13 1pus n MET 42 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1pus n MET 42 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.78 3.81 3.03 0.00 -1.26 -5.14 105.19 106.41 1pus n GLY 43 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.01 0.63 -4.20 1.61 4.71 -0.58 -5.07 120.64 117.75 1pus n GLU 44 Ca -0.11 -3.15 -0.24 0.00 -0.01 0.00 0.00 57.16 53.65 1pus n GLU 44 Cb 0.60 -0.08 -0.06 0.00 -1.01 0.00 0.00 31.44 30.89 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 -2.57 3.93 0.61 2.62 2.01 -1.26 -4.76 115.64 116.21 1pus s THR 45 Ca 0.52 -1.58 0.25 0.00 0.31 0.00 0.00 61.69 61.20 1pus s THR 45 Cb -0.04 -3.08 0.35 0.00 0.01 0.00 0.00 72.50 69.75 1pus s THR 45 CO 0.33 -0.29 1.46 1.55 -0.69 0.00 0.00 174.62 176.98 1pus h PRO 46 N 1.96 0.00 0.00 4.92 0.13 -1.97 1.58 132.00 138.61 1pus h PRO 46 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1pus h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pus h PRO 46 CO 0.60 0.00 -0.23 1.49 -0.23 0.00 0.00 178.00 179.63 1pus h GLU 47 N 0.00 0.00 0.00 0.86 4.57 -2.02 -3.38 114.58 114.61 1pus h GLU 47 Ca 0.36 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1pus h GLU 47 Cb 2.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.89 1pus h GLU 47 CO -0.00 0.00 -0.05 -0.56 -1.18 0.00 0.00 179.01 177.21 1pus h GLN 48 N -0.88 0.00 -0.29 1.92 3.07 -1.73 -3.14 115.11 114.06 1pus h GLN 48 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 1pus h GLN 48 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.75 1pus h GLN 48 CO 0.00 0.01 0.07 0.00 0.09 0.00 0.00 178.83 179.00 1pus h ALA 49 N 1.99 0.31 0.04 0.06 0.00 0.20 0.81 119.26 122.67 1pus h ALA 49 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1pus h ALA 49 Cb 1.01 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pus h ALA 49 CO 0.00 -0.34 -0.35 -0.39 0.00 0.00 0.00 179.25 178.17 1pus h VAL 50 N 0.18 1.60 -0.90 0.00 -1.51 -1.74 -0.57 116.25 113.31 1pus h VAL 50 Ca 0.13 -2.23 0.07 0.00 -1.23 0.00 0.00 66.70 63.44 1pus h VAL 50 Cb 0.13 3.06 -0.06 0.00 -2.13 0.00 0.00 31.29 32.29 1pus h VAL 50 CO -0.17 0.61 0.58 0.58 -1.23 0.00 0.00 177.57 177.95 1pus h VAL 51 N -0.59 1.06 0.06 7.19 2.07 -1.48 1.16 116.25 125.71 1pus h VAL 51 Ca -0.05 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1pus h VAL 51 Cb 1.19 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1pus h VAL 51 CO 0.07 0.18 -0.46 -0.09 0.02 0.00 0.00 177.57 177.29 1pus h ARG 52 N 1.01 0.21 0.00 1.57 2.43 0.57 -3.29 114.38 116.89 1pus h ARG 52 Ca 0.39 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1pus h ARG 52 Cb 0.21 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1pus h ARG 52 CO -0.14 1.09 -0.08 1.49 -1.51 0.00 0.00 179.97 180.81 1pus h GLU 53 N -0.52 0.00 -0.60 0.20 4.57 -0.76 -3.07 114.58 114.40 1pus h GLU 53 Ca -0.07 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1pus h GLU 53 Cb 1.29 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.84 1pus h GLU 53 CO 0.09 0.08 0.33 -0.07 -1.18 0.00 0.00 179.01 178.26 1pus h LEU 54 N 0.00 0.50 -1.54 1.64 4.07 0.13 0.98 115.31 121.10 1pus h LEU 54 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1pus h LEU 54 Cb 0.55 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1pus h LEU 54 CO 0.01 0.34 -0.15 1.56 -1.08 0.00 0.00 178.44 179.12 1pus h GLN 55 N 0.63 0.11 0.00 1.13 7.50 -1.67 1.08 115.11 123.89 1pus h GLN 55 Ca 0.26 -0.02 -0.17 0.00 0.50 0.00 0.00 58.65 59.22 1pus h GLN 55 Cb 0.13 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 1pus h GLN 55 CO -0.15 0.26 -0.80 1.49 -1.50 0.00 0.00 178.83 178.13 1pus h GLU 56 N 0.10 0.00 -0.26 1.46 4.22 -0.83 0.91 114.58 120.19 1pus h GLU 56 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1pus h GLU 56 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pus h GLU 56 CO 0.02 0.80 0.00 -1.91 -2.18 0.00 0.00 179.01 175.74 1pus n GLU 57 N -3.45 2.03 0.00 1.92 4.07 0.31 0.20 120.64 125.72 1pus n GLU 57 Ca -0.00 -1.82 0.00 0.00 -0.06 0.00 0.00 57.16 55.28 1pus n GLU 57 Cb 0.80 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1pus n VAL 58 N 0.75 0.00 0.00 6.31 0.31 0.36 -4.13 118.33 121.93 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 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 2.03 0.46 2.46 2.92 0.00 0.31 -0.16 105.19 113.22 1pus n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.35 -1.26 -4.88 119.36 103.53 1pus n ILE 60 Ca 0.00 -0.56 -0.36 0.00 -0.27 0.00 0.00 62.75 61.56 1pus n ILE 60 Cb 0.00 -1.55 -0.10 0.00 -1.74 0.00 0.00 39.64 36.25 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 -2.75 3.67 0.07 7.28 -4.23 -1.26 -4.94 115.64 113.48 1pus s THR 61 Ca 0.49 -3.12 0.04 0.00 -1.18 0.00 0.00 61.69 57.91 1pus s THR 61 Cb -0.02 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1pus s THR 61 CO 0.35 -0.90 -0.01 -2.16 -0.54 0.00 0.00 174.62 171.36 1pus s PRO 62 N -0.26 2.59 -1.24 3.99 0.04 -1.26 -3.27 135.00 135.59 1pus s PRO 62 Ca 0.18 -0.79 -0.20 0.00 0.04 0.00 0.00 61.00 60.23 1pus s PRO 62 Cb -0.19 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1pus s PRO 62 CO -0.04 0.56 1.84 1.04 0.04 0.00 0.00 177.00 180.44 1pus n GLN 63 N 0.81 2.38 -4.57 4.56 6.02 0.21 -4.85 117.38 121.94 1pus n GLN 63 Ca -0.12 -2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 53.72 1pus n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 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 7.66 2.25 -0.25 1.08 2.46 -1.25 0.49 115.29 127.73 1pus s HIS 64 Ca 0.61 -1.08 -0.37 0.00 0.47 0.00 0.00 55.06 54.69 1pus s HIS 64 Cb 0.02 -1.58 0.15 0.00 -0.13 0.00 0.00 32.58 31.04 1pus s HIS 64 CO 0.11 -0.52 1.31 0.12 -2.47 0.00 0.00 174.74 173.29 1pus s PHE 65 N 0.89 -0.06 0.00 3.88 5.36 -0.56 -4.94 117.98 122.54 1pus s PHE 65 Ca -0.07 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1pus s PHE 65 Cb -0.15 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1pus s PHE 65 CO -0.01 -0.09 0.00 0.43 -1.46 0.00 0.00 175.22 174.09 1pus n SER 66 N 0.01 0.00 -3.74 6.13 7.64 -1.24 -4.12 113.62 118.30 1pus n SER 66 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1pus n SER 66 Cb 0.57 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.64 1pus n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1pus s LEU 67 N 0.00 0.61 0.12 -3.43 0.05 -1.26 -0.29 118.68 114.48 1pus s LEU 67 Ca 0.00 0.41 -0.03 0.00 0.05 0.00 0.00 54.13 54.56 1pus s LEU 67 Cb 0.00 0.55 -0.12 0.00 -2.05 0.00 0.00 46.19 44.58 1pus s LEU 67 CO 0.00 -0.15 1.29 2.19 -0.55 0.00 0.00 176.35 179.12 1pus h PHE 68 N 7.15 0.54 -1.88 3.48 -5.15 -1.74 -3.42 116.94 115.92 1pus h PHE 68 Ca -0.41 -0.31 0.21 0.00 -0.20 0.00 0.00 57.97 57.25 1pus h PHE 68 Cb 1.15 -0.05 -0.15 0.00 0.22 0.00 0.00 35.95 37.12 1pus h PHE 68 CO 0.40 1.15 0.66 -2.00 -2.00 0.00 0.00 178.31 176.51 1pus s GLU 69 N -3.15 0.64 -0.06 6.09 2.12 -1.20 -5.04 118.70 118.10 1pus s GLU 69 Ca -0.05 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1pus s GLU 69 Cb 0.09 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.77 1pus s GLU 69 CO 0.86 -0.29 0.14 -1.59 -0.54 0.00 0.00 175.26 173.85 1pus s LYS 70 N -2.80 0.11 0.01 4.30 0.00 -1.26 -2.33 119.74 117.77 1pus s LYS 70 Ca 0.09 0.33 0.08 0.00 0.00 0.00 0.00 55.97 56.47 1pus s LYS 70 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 37.83 37.68 1pus s LYS 70 CO -0.05 -0.13 -0.25 -1.17 0.00 0.00 0.00 175.35 173.76 1pus s LEU 71 N 0.91 2.20 -0.16 2.77 2.96 -0.79 -4.97 118.68 121.61 1pus s LEU 71 Ca -0.07 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 1pus s LEU 71 Cb -0.09 -1.35 0.06 0.00 0.50 0.00 0.00 46.19 45.31 1pus s LEU 71 CO -0.05 0.29 0.09 -0.70 -1.32 0.00 0.00 176.35 174.66 1pus s GLU 72 N -0.98 0.05 0.04 1.98 2.12 -1.26 -2.17 118.70 118.47 1pus s GLU 72 Ca 0.11 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1pus s GLU 72 Cb -0.10 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.57 1pus s GLU 72 CO 0.01 -0.64 -0.04 1.52 -0.54 0.00 0.00 175.26 175.57 1pus s TYR 73 N 2.14 0.48 -0.02 5.30 1.13 -1.16 -5.03 117.35 120.19 1pus s TYR 73 Ca 0.02 -0.68 0.08 0.00 -1.41 0.00 0.00 57.07 55.08 1pus s TYR 73 Cb -0.16 -0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1pus s TYR 73 CO -0.08 -0.20 -0.25 -1.83 -2.51 0.00 0.00 175.55 170.68 1pus s GLU 74 N -2.28 2.00 0.50 -3.49 -1.05 -1.26 -2.27 118.70 110.85 1pus s GLU 74 Ca -0.07 -0.88 -0.03 0.00 -0.15 0.00 0.00 54.97 53.84 1pus s GLU 74 Cb -0.04 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 1pus s GLU 74 CO -0.03 0.53 0.78 -0.06 0.95 0.00 0.00 175.26 177.43 1pus s PHE 75 N -0.58 3.34 -0.74 4.83 0.40 0.35 -4.89 117.98 120.69 1pus s PHE 75 Ca 0.09 0.54 -0.17 0.00 -0.60 0.00 0.00 56.93 56.79 1pus s PHE 75 Cb -0.09 -2.44 -0.17 0.00 0.51 0.00 0.00 43.02 40.82 1pus s PHE 75 CO -0.01 -0.48 1.91 -0.35 0.70 0.00 0.00 175.22 176.99 1pus n PRO 76 N -2.30 0.16 -0.30 0.24 -0.04 -1.26 0.13 135.00 131.63 1pus n PRO 76 Ca 0.02 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1pus n PRO 76 Cb 0.57 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1pus n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pus n ASP 77 N 13.66 -0.91 -4.04 3.54 8.00 -1.26 -5.08 116.55 130.46 1pus n ASP 77 Ca 0.36 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 1pus n ASP 77 Cb 0.42 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.64 0.46 -0.33 -1.24 3.52 0.34 -3.50 118.95 117.56 1pus s ARG 78 Ca 0.00 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1pus s ARG 78 Cb 0.00 -0.16 0.10 0.00 -1.56 0.00 0.00 34.95 33.33 1pus s ARG 78 CO 0.00 0.02 0.07 -1.58 -0.81 0.00 0.00 175.30 173.00 1pus s HIS 79 N -1.44 2.93 -0.36 5.12 2.46 0.91 0.13 115.29 125.04 1pus s HIS 79 Ca -0.12 -2.50 -0.11 0.00 0.47 0.00 0.00 55.06 52.80 1pus s HIS 79 Cb -0.10 -2.44 0.02 0.00 -0.13 0.00 0.00 32.58 29.93 1pus s HIS 79 CO -0.00 -0.92 0.19 -1.50 -2.47 0.00 0.00 174.74 170.04 1pus s ILE 80 N 1.16 4.59 -0.27 0.89 2.07 -0.96 0.49 121.20 129.16 1pus s ILE 80 Ca 0.11 -0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 58.52 1pus s ILE 80 Cb -0.18 -3.50 -0.03 0.00 0.13 0.00 0.00 42.46 38.87 1pus s ILE 80 CO -0.15 -0.15 0.13 -0.89 -1.91 0.00 0.00 174.94 171.97 1pus s THR 81 N 1.57 4.68 -0.23 4.00 2.01 -0.76 -2.97 115.64 123.94 1pus s THR 81 Ca 0.03 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1pus s THR 81 Cb -0.19 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.12 1pus s THR 81 CO 0.07 0.25 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.36 1pus s LEU 82 N 1.66 2.98 -0.23 4.42 1.43 -0.92 0.11 118.68 128.12 1pus s LEU 82 Ca 0.06 -1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.05 1pus s LEU 82 Cb -0.16 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1pus s LEU 82 CO 0.06 -0.12 0.05 0.26 0.23 0.00 0.00 176.35 176.84 1pus s TRP 83 N 1.21 3.10 -0.41 0.29 0.52 0.40 -1.88 118.94 122.18 1pus s TRP 83 Ca -0.02 -0.36 -0.16 0.00 0.02 0.00 0.00 56.10 55.58 1pus s TRP 83 Cb -0.17 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1pus s TRP 83 CO -0.07 -0.26 0.34 -0.06 0.02 0.00 0.00 176.95 176.91 1pus s PHE 84 N 1.31 3.22 0.13 -1.98 0.40 -0.98 0.14 117.98 120.22 1pus s PHE 84 Ca 0.05 -0.49 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1pus s PHE 84 Cb -0.15 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.65 1pus s PHE 84 CO 0.03 -0.61 0.39 -1.58 0.70 0.00 0.00 175.22 174.15 1pus s TRP 85 N 1.83 3.49 -0.05 0.36 0.52 0.29 -2.72 118.94 122.66 1pus s TRP 85 Ca 0.07 0.64 -0.14 0.00 0.02 0.00 0.00 56.10 56.69 1pus s TRP 85 Cb -0.18 -2.06 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 1pus s TRP 85 CO 0.11 0.44 0.37 -1.17 0.02 0.00 0.00 176.95 176.73 1pus s LEU 86 N -2.48 4.41 0.05 2.99 1.98 0.61 -1.29 118.68 124.94 1pus s LEU 86 Ca 0.39 0.83 0.08 0.00 -2.89 0.00 0.00 54.13 52.54 1pus s LEU 86 Cb -0.12 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.18 1pus s LEU 86 CO 0.23 0.26 -0.21 -0.69 -1.89 0.00 0.00 176.35 174.04 1pus s VAL 87 N -0.64 1.72 -0.08 1.68 1.01 -1.07 -1.50 120.40 121.51 1pus s VAL 87 Ca 0.22 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 61.06 1pus s VAL 87 Cb -0.16 -1.50 -0.13 0.00 0.00 0.00 0.00 36.38 34.60 1pus s VAL 87 CO 0.11 0.21 0.08 -0.62 0.00 0.00 0.00 175.10 174.88 1pus n GLU 88 N 1.81 1.95 -3.64 2.72 1.02 0.15 -3.85 120.64 120.79 1pus n GLU 88 Ca -0.17 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 1pus n GLU 88 Cb 0.53 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1pus n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1pus s ARG 89 N -2.34 1.31 -0.24 3.49 1.70 0.18 -4.65 118.95 118.39 1pus s ARG 89 Ca -0.04 -0.63 -0.09 0.00 -0.47 0.00 0.00 55.73 54.50 1pus s ARG 89 Cb 0.04 0.51 0.10 0.00 -0.57 0.00 0.00 34.95 35.02 1pus s ARG 89 CO 0.40 -0.59 0.53 1.67 -1.08 0.00 0.00 175.30 176.23 1pus s TRP 90 N -3.55 -1.00 0.42 5.89 -2.14 -1.23 0.64 118.94 117.97 1pus s TRP 90 Ca 0.07 1.85 -0.24 0.00 2.66 0.00 0.00 56.10 60.44 1pus s TRP 90 Cb -0.02 0.51 -0.08 0.00 -3.10 0.00 0.00 33.47 30.78 1pus s TRP 90 CO -0.03 -0.54 1.14 -1.21 -2.66 0.00 0.00 176.95 173.66 1pus s GLU 91 N 2.46 3.98 5.33 3.25 8.01 -1.20 -4.74 118.70 135.79 1pus s GLU 91 Ca -0.05 1.75 0.00 0.00 0.01 0.00 0.00 54.97 56.68 1pus s GLU 91 Cb -0.11 -2.56 0.00 0.00 -4.31 0.00 0.00 34.13 27.15 1pus s GLU 91 CO -0.16 -0.36 0.00 0.41 0.01 0.00 0.00 175.26 175.16 1pus n GLY 92 N 0.51 3.04 3.05 -1.39 0.00 -1.26 -4.58 105.19 104.56 1pus n GLY 92 Ca 0.05 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 1pus n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pus s GLU 93 N 0.00 0.60 0.01 1.61 2.12 -1.26 -5.12 118.70 116.66 1pus s GLU 93 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1pus s GLU 93 Cb 0.00 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 1pus s GLU 93 CO 0.00 0.12 1.12 -2.14 -0.54 0.00 0.00 175.26 173.82 1pus s PRO 94 N -1.01 4.45 0.16 4.30 0.02 -1.26 -4.68 135.00 136.98 1pus s PRO 94 Ca -0.03 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1pus s PRO 94 Cb -0.07 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1pus s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pus n TRP 95 N 4.24 -1.07 0.00 6.54 4.27 0.31 -4.98 117.44 126.74 1pus n TRP 95 Ca 0.08 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1pus n TRP 95 Cb 0.48 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.74 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 2.42 0.52 0.00 -1.67 0.00 0.77 -3.52 105.19 103.71 1pus n GLY 96 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 3.00 0.53 -4.70 118.16 118.49 1pus n LYS 97 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1pus n LYS 97 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pus h GLU 98 N 0.00 0.47 0.00 1.64 4.11 -1.73 -3.47 114.58 115.61 1pus h GLU 98 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1pus h GLU 98 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1pus h GLU 98 CO 0.00 0.43 0.00 0.41 0.07 0.00 0.00 179.01 179.92 1pus n GLY 99 N -0.86 0.87 2.49 1.06 0.00 -1.26 -5.03 105.19 102.46 1pus n GLY 99 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.62 0.44 0.20 1.61 -0.21 -1.26 -5.06 119.66 114.77 1pus s GLN 100 Ca 0.00 -1.07 -0.30 0.00 0.02 0.00 0.00 55.36 54.01 1pus s GLN 100 Cb 0.00 -1.23 -0.16 0.00 1.00 0.00 0.00 33.01 32.62 1pus s GLN 100 CO 0.00 -1.15 0.78 -2.30 -2.12 0.00 0.00 175.29 170.50 1pus n PRO 101 N 4.40 0.52 -4.40 2.91 -0.02 -1.26 -4.50 135.00 132.64 1pus n PRO 101 Ca 0.07 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.51 1pus n PRO 101 Cb 0.39 -1.39 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.67 2.37 0.05 -1.23 0.00 -1.26 -4.09 107.32 102.49 1pus s GLY 102 Ca 0.66 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1pus s GLY 102 CO 0.57 -1.67 0.04 1.85 0.00 0.00 0.00 173.10 173.89 1pus s GLU 103 N -3.68 0.59 -0.48 2.90 2.56 -1.26 -4.99 118.70 114.34 1pus s GLU 103 Ca 0.32 -0.96 -0.28 0.00 0.00 0.00 0.00 54.97 54.04 1pus s GLU 103 Cb 0.03 0.22 0.01 0.00 2.00 0.00 0.00 34.13 36.39 1pus s GLU 103 CO 0.19 -0.13 1.49 -1.58 -0.56 0.00 0.00 175.26 174.66 1pus s TRP 104 N -3.18 2.23 0.32 5.30 0.51 -1.26 -3.89 118.94 118.98 1pus s TRP 104 Ca 0.00 0.59 0.10 0.00 -2.12 0.00 0.00 56.10 54.67 1pus s TRP 104 Cb 0.02 -4.31 -0.06 0.00 -0.81 0.00 0.00 33.47 28.31 1pus s TRP 104 CO -0.07 -2.10 -0.12 -1.64 -0.51 0.00 0.00 176.95 172.51 1pus s MET 105 N 5.42 1.80 -0.36 4.98 -1.94 0.47 -4.84 119.30 124.83 1pus s MET 105 Ca 0.60 -1.87 -0.27 0.00 -1.71 0.00 0.00 55.69 52.43 1pus s MET 105 Cb -0.13 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 34.98 1pus s MET 105 CO 0.29 0.20 1.01 -1.54 -0.01 0.00 0.00 175.02 174.96 1pus s SER 106 N -3.59 6.78 0.47 3.03 1.04 -1.26 0.18 113.70 120.35 1pus s SER 106 Ca 0.32 0.78 0.30 0.00 0.48 0.00 0.00 55.95 57.83 1pus s SER 106 Cb -0.00 -2.50 1.14 0.00 0.10 0.00 0.00 66.02 64.76 1pus s SER 106 CO 0.16 -0.90 1.88 0.25 0.98 0.00 0.00 173.24 175.61 1pus h LEU 107 N 10.17 0.00 -0.35 2.42 7.12 -1.89 -3.04 115.31 129.74 1pus h LEU 107 Ca -0.22 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.79 1pus h LEU 107 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1pus h LEU 107 CO 1.01 0.00 0.08 0.55 -0.13 0.00 0.00 178.44 179.95 1pus n VAL 108 N -2.90 1.49 -2.68 1.05 3.14 -1.26 -2.09 118.33 115.09 1pus n VAL 108 Ca 0.02 0.57 -0.15 0.00 -2.96 0.00 0.00 64.34 61.81 1pus n VAL 108 Cb 0.33 -1.57 0.01 0.00 -1.06 0.00 0.00 33.84 31.55 1pus n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pus n GLY 109 N -1.39 3.01 3.75 7.55 0.00 -1.15 -4.93 105.19 112.03 1pus n GLY 109 Ca -0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.17 4.36 -0.21 0.99 1.98 -0.89 -4.99 118.68 116.75 1pus s LEU 110 Ca 0.34 2.86 -0.04 0.00 -2.89 0.00 0.00 54.13 54.40 1pus s LEU 110 Cb 0.43 -3.63 -0.01 0.00 0.66 0.00 0.00 46.19 43.64 1pus s LEU 110 CO -0.04 -0.86 -0.04 0.20 -1.89 0.00 0.00 176.35 173.73 1pus s ASN 111 N 0.53 4.41 0.25 3.68 0.01 -1.26 -4.91 114.94 117.64 1pus s ASN 111 Ca 0.63 -0.34 0.24 0.00 -0.71 0.00 0.00 52.86 52.68 1pus s ASN 111 Cb -0.46 -1.75 0.94 0.00 0.41 0.00 0.00 41.25 40.39 1pus s ASN 111 CO 0.45 0.01 1.73 0.00 -1.51 0.00 0.00 177.10 177.78 1pus n ALA 112 N 4.61 1.81 -0.04 0.60 0.00 -1.26 -2.87 120.51 123.36 1pus n ALA 112 Ca -0.18 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1pus n ALA 112 Cb 0.51 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1pus n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1pus h ASP 113 N 0.00 0.09 0.64 0.00 1.82 -1.94 -3.31 116.42 113.72 1pus h ASP 113 Ca 0.00 -0.81 -0.08 0.00 -0.39 0.00 0.00 57.03 55.75 1pus h ASP 113 Cb 0.46 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1pus h ASP 113 CO 0.00 0.89 -0.36 -2.24 -1.61 0.00 0.00 179.24 175.92 1pus h ASP 114 N -0.71 0.00 -2.44 2.28 2.03 -1.83 -3.44 116.42 112.31 1pus h ASP 114 Ca -0.01 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.85 1pus h ASP 114 Cb 0.91 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.45 1pus h ASP 114 CO 0.02 0.36 -0.05 0.72 -1.03 0.00 0.00 179.24 179.26 1pus s PHE 115 N -3.83 2.87 0.09 4.15 -0.71 -1.14 -1.06 117.98 118.34 1pus s PHE 115 Ca -0.01 -0.03 -0.31 0.00 -1.04 0.00 0.00 56.93 55.54 1pus s PHE 115 Cb 0.12 -2.71 -0.08 0.00 -1.21 0.00 0.00 43.02 39.14 1pus s PHE 115 CO 0.69 -0.82 1.50 -1.25 -1.34 0.00 0.00 175.22 173.99 1pus s PRO 116 N -4.72 4.26 0.30 1.99 0.04 -1.05 -4.57 135.00 131.25 1pus s PRO 116 Ca 0.57 2.18 0.24 0.00 0.04 0.00 0.00 61.00 64.02 1pus s PRO 116 Cb -0.10 -3.40 1.10 0.00 0.04 0.00 0.00 34.50 32.14 1pus s PRO 116 CO 0.38 -0.58 1.71 -1.00 0.04 0.00 0.00 177.00 177.55 1pus h PRO 117 N 7.45 0.00 0.00 0.56 0.13 -1.83 -2.34 132.00 135.97 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 -1.79 2.25 -1.44 -0.56 0.00 -1.26 -3.29 120.51 114.42 1pus n ALA 118 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1pus n ALA 118 Cb 0.15 -1.43 0.20 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.46 2.37 0.03 0.00 5.03 -0.88 -4.72 115.26 115.62 1pus n ASN 119 Ca 0.08 -3.72 -0.05 0.00 0.87 0.00 0.00 54.58 51.75 1pus n ASN 119 Cb 0.29 -0.59 0.15 0.00 -1.02 0.00 0.00 39.78 38.61 1pus n ASN 119 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1pus h GLU 120 N 1.00 0.43 -0.66 3.52 -0.00 -1.71 -3.01 114.58 114.17 1pus h GLU 120 Ca 0.14 -0.21 0.12 0.00 -0.00 0.00 0.00 59.36 59.41 1pus h GLU 120 Cb 1.44 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 30.10 1pus h GLU 120 CO 0.26 0.77 0.20 -1.35 -0.00 0.00 0.00 179.01 178.88 1pus h PRO 121 N 0.36 0.32 0.02 1.06 0.11 -1.88 1.52 132.00 133.51 1pus h PRO 121 Ca 0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1pus h PRO 121 Cb 0.87 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1pus h PRO 121 CO 0.07 0.21 -0.01 0.28 -0.21 0.00 0.00 178.00 178.35 1pus h VAL 122 N 0.33 1.47 0.00 3.15 2.07 -1.95 -3.31 116.25 118.01 1pus h VAL 122 Ca 0.35 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 1pus h VAL 122 Cb 0.52 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1pus h VAL 122 CO -0.40 0.46 -0.24 0.40 0.02 0.00 0.00 177.57 177.81 1pus h ILE 123 N -0.90 1.16 -0.63 4.57 1.08 -1.38 -2.19 117.51 119.22 1pus h ILE 123 Ca -0.00 -0.84 0.12 0.00 -0.39 0.00 0.00 64.86 63.76 1pus h ILE 123 Cb 0.77 1.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1pus h ILE 123 CO 0.00 0.24 0.43 0.00 -0.69 0.00 0.00 178.15 178.13 1pus h ALA 124 N 1.76 2.15 0.04 1.87 0.00 0.21 1.87 119.26 127.16 1pus h ALA 124 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pus h ALA 124 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pus h ALA 124 CO 0.03 -0.31 -0.33 -0.22 0.00 0.00 0.00 179.25 178.43 1pus h LYS 125 N 0.32 0.15 0.00 0.00 1.63 -1.50 -2.36 116.57 114.81 1pus h LYS 125 Ca 0.30 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1pus h LYS 125 Cb 0.73 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1pus h LYS 125 CO -0.07 1.04 0.00 1.25 -3.45 0.00 0.00 179.45 178.21 1pus h LEU 126 N -0.62 0.00 0.16 5.20 5.85 -1.28 -3.23 115.31 121.38 1pus h LEU 126 Ca -0.05 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 1pus h LEU 126 Cb 1.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 1pus h LEU 126 CO 0.06 0.00 -1.38 0.50 -0.34 0.00 0.00 178.44 177.28 1pus h LYS 127 N 0.00 0.34 0.00 1.25 3.64 0.28 -3.23 116.57 118.86 1pus h LYS 127 Ca 0.00 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1pus h LYS 127 Cb 0.90 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pus h LYS 127 CO 0.00 1.28 0.00 -2.13 -2.27 0.00 0.00 179.45 176.33 1pus n ARG 128 N -3.85 0.01 0.00 1.90 0.63 -0.89 -4.63 116.66 109.84 1pus n ARG 128 Ca -0.21 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1pus n ARG 128 Cb 0.96 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1pus n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59