#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pus s LYS 2 N 0.00 4.66 -0.02 0.03 2.20 -1.26 -5.05 119.74 120.30 1pus s LYS 2 Ca 0.00 1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1pus s LYS 2 Cb 0.00 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1pus s LYS 2 CO 0.00 0.14 0.03 -1.59 -0.36 0.00 0.00 175.35 173.56 1pus s LYS 3 N 0.28 -0.03 -0.13 4.03 -2.85 -1.26 -3.05 119.74 116.73 1pus s LYS 3 Ca 0.48 0.16 -0.04 0.00 -1.00 0.00 0.00 55.97 55.57 1pus s LYS 3 Cb -0.23 -0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.41 1pus s LYS 3 CO 0.29 -0.14 0.24 -0.48 0.10 0.00 0.00 175.35 175.37 1pus s LEU 4 N 0.87 -0.25 0.19 2.77 0.05 0.28 -4.96 118.68 117.63 1pus s LEU 4 Ca -0.07 0.47 0.04 0.00 0.05 0.00 0.00 54.13 54.62 1pus s LEU 4 Cb -0.11 0.60 -0.03 0.00 -2.05 0.00 0.00 46.19 44.60 1pus s LEU 4 CO -0.02 -0.25 0.26 -1.10 -0.55 0.00 0.00 176.35 174.69 1pus s GLN 5 N 2.39 3.26 -0.10 1.48 -0.21 -1.26 -3.20 119.66 122.03 1pus s GLN 5 Ca 0.02 -0.75 -0.05 0.00 0.02 0.00 0.00 55.36 54.60 1pus s GLN 5 Cb -0.12 -2.83 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1pus s GLN 5 CO -0.08 0.48 0.23 0.42 -2.12 0.00 0.00 175.29 174.22 1pus s ILE 6 N -1.85 -0.04 -0.12 1.08 1.09 0.30 -3.82 121.20 117.84 1pus s ILE 6 Ca 0.33 0.14 0.02 0.00 -1.10 0.00 0.00 60.65 60.04 1pus s ILE 6 Cb -0.10 -0.36 0.02 0.00 -1.06 0.00 0.00 42.46 40.95 1pus s ILE 6 CO 0.27 0.06 -0.16 0.00 -0.10 0.00 0.00 174.94 175.01 1pus s ALA 7 N 1.17 1.79 0.17 9.38 0.00 -0.90 -1.91 121.76 131.46 1pus s ALA 7 Ca -0.09 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1pus s ALA 7 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1pus s ALA 7 CO -0.08 -0.12 -0.14 0.54 0.00 0.00 0.00 175.76 175.96 1pus s VAL 8 N 1.05 1.55 -0.16 0.00 0.11 0.30 -3.86 120.40 119.40 1pus s VAL 8 Ca -0.05 -2.05 -0.13 0.00 -2.93 0.00 0.00 61.98 56.83 1pus s VAL 8 Cb -0.15 -1.88 0.04 0.00 -1.53 0.00 0.00 36.38 32.87 1pus s VAL 8 CO -0.03 -0.56 0.40 -0.83 -3.33 0.00 0.00 175.10 170.75 1pus s GLY 9 N -3.04 -0.31 -0.42 6.54 0.00 -1.21 0.16 107.32 109.05 1pus s GLY 9 Ca 0.18 1.23 -0.24 0.00 0.00 0.00 0.00 44.72 45.89 1pus s GLY 9 CO 0.05 1.15 0.86 -0.26 0.00 0.00 0.00 173.10 174.90 1pus s ILE 10 N 0.51 4.60 -0.04 0.90 -4.36 -0.99 -4.53 121.20 117.29 1pus s ILE 10 Ca -0.02 0.80 -0.30 0.00 -0.26 0.00 0.00 60.65 60.86 1pus s ILE 10 Cb -0.04 -4.33 -0.05 0.00 1.25 0.00 0.00 42.46 39.29 1pus s ILE 10 CO -0.03 -0.65 1.38 -0.63 0.24 0.00 0.00 174.94 175.25 1pus s ILE 11 N 3.43 3.87 -0.19 8.37 1.01 -1.26 -3.06 121.20 133.37 1pus s ILE 11 Ca 0.34 1.19 -0.25 0.00 0.00 0.00 0.00 60.65 61.93 1pus s ILE 11 Cb -0.12 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1pus s ILE 11 CO 0.22 -0.03 0.84 -0.13 0.00 0.00 0.00 174.94 175.84 1pus s ARG 12 N 2.74 4.27 0.27 2.79 1.81 -1.25 -3.35 118.95 126.24 1pus s ARG 12 Ca 0.62 1.02 -0.05 0.00 -1.72 0.00 0.00 55.73 55.60 1pus s ARG 12 Cb -0.29 -3.59 0.06 0.00 -0.45 0.00 0.00 34.95 30.68 1pus s ARG 12 CO 0.24 -0.38 0.36 -1.71 -0.68 0.00 0.00 175.30 173.14 1pus n ASN 13 N 5.43 -0.02 -0.13 0.23 4.05 0.55 -3.08 115.26 122.29 1pus n ASN 13 Ca 0.05 -1.12 0.15 0.00 0.45 0.00 0.00 54.58 54.11 1pus n ASN 13 Cb 0.48 -0.28 0.79 0.00 1.23 0.00 0.00 39.78 42.00 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 -1.80 1.19 -2.66 1.20 0.00 -1.26 -3.94 120.64 113.36 1pus n GLU 14 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 57.16 56.81 1pus n GLU 14 Cb 0.16 -1.47 0.02 0.00 0.00 0.00 0.00 31.44 30.15 1pus n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1pus n ASN 15 N -0.65 1.90 -2.01 4.31 5.15 -1.26 -4.94 115.26 117.76 1pus n ASN 15 Ca 0.21 -2.88 -0.07 0.00 -0.60 0.00 0.00 54.58 51.25 1pus n ASN 15 Cb 0.17 -0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 38.88 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1pus n ASN 16 N -0.10 -2.32 -4.50 1.20 0.23 -1.25 -4.90 115.26 103.61 1pus n ASN 16 Ca 0.14 0.27 -0.27 0.00 -0.53 0.00 0.00 54.58 54.19 1pus n ASN 16 Cb 0.79 -2.16 -0.11 0.00 -2.08 0.00 0.00 39.78 36.22 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 -4.13 1.80 0.01 -3.83 -1.05 -1.26 -4.29 118.70 105.94 1pus s GLU 17 Ca 0.00 -1.34 0.04 0.00 -0.15 0.00 0.00 54.97 53.53 1pus s GLU 17 Cb 0.00 -2.04 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 1pus s GLU 17 CO 0.00 0.43 -0.13 0.42 0.95 0.00 0.00 175.26 176.93 1pus s ILE 18 N -1.55 1.02 -0.22 1.83 1.01 0.36 0.21 121.20 123.86 1pus s ILE 18 Ca 0.22 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 1pus s ILE 18 Cb -0.09 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1pus s ILE 18 CO 0.12 0.17 0.51 0.72 0.00 0.00 0.00 174.94 176.47 1pus s PHE 19 N -0.50 3.35 -0.17 3.97 -0.71 -1.21 -2.54 117.98 120.15 1pus s PHE 19 Ca 0.03 0.74 -0.02 0.00 -1.04 0.00 0.00 56.93 56.64 1pus s PHE 19 Cb -0.06 -2.68 -0.01 0.00 -1.21 0.00 0.00 43.02 39.06 1pus s PHE 19 CO 0.00 -0.14 -0.10 0.96 -1.34 0.00 0.00 175.22 174.60 1pus s ILE 20 N 1.80 3.10 -0.34 -4.49 -5.25 -1.25 -4.49 121.20 110.27 1pus s ILE 20 Ca 0.23 -0.61 -0.29 0.00 -0.99 0.00 0.00 60.65 58.99 1pus s ILE 20 Cb -0.15 -2.35 -0.00 0.00 2.95 0.00 0.00 42.46 42.90 1pus s ILE 20 CO 0.09 0.48 1.53 0.28 -1.79 0.00 0.00 174.94 175.53 1pus s THR 21 N 0.92 3.80 0.55 8.37 -1.32 -0.45 -4.56 115.64 122.93 1pus s THR 21 Ca -0.02 0.85 0.04 0.00 -1.21 0.00 0.00 61.69 61.34 1pus s THR 21 Cb -0.15 -3.97 0.05 0.00 -1.51 0.00 0.00 72.50 66.92 1pus s THR 21 CO -0.00 -0.54 0.76 0.00 -2.21 0.00 0.00 174.62 172.62 1pus s ARG 22 N 4.94 2.46 0.14 7.08 1.70 -1.26 -1.75 118.95 132.25 1pus s ARG 22 Ca 0.67 -1.04 0.12 0.00 -0.47 0.00 0.00 55.73 55.01 1pus s ARG 22 Cb -0.18 -2.55 0.61 0.00 -0.57 0.00 0.00 34.95 32.26 1pus s ARG 22 CO 0.31 -0.73 1.38 0.54 -1.08 0.00 0.00 175.30 175.72 1pus n ARG 23 N -2.28 0.07 -0.96 3.89 5.12 -1.26 -4.78 116.66 116.45 1pus n ARG 23 Ca 0.10 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1pus n ARG 23 Cb 0.60 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 -1.63 0.00 -2.41 7.54 0.00 -1.26 -3.89 120.51 118.86 1pus n ALA 24 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1pus n ALA 24 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 1.00 -0.79 -2.57 0.00 0.00 -1.26 -4.84 120.51 112.05 1pus n ALA 25 Ca 0.00 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1pus n ALA 25 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.71 5.03 -2.59 0.00 5.75 -1.25 -4.46 116.55 117.32 1pus n ASP 26 Ca -0.12 -3.01 -0.19 0.00 -0.01 0.00 0.00 54.79 51.45 1pus n ASP 26 Cb 0.59 -1.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 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 5.23 -0.76 -2.38 2.12 0.00 -1.26 -4.95 120.51 118.52 1pus n ALA 27 Ca 0.40 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.83 1pus n ALA 27 Cb 0.40 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 1pus n ALA 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pus s HIS 28 N -2.96 1.62 -0.73 0.00 4.02 -1.26 -5.06 115.29 110.92 1pus s HIS 28 Ca 0.08 -1.59 -0.26 0.00 1.02 0.00 0.00 55.06 54.31 1pus s HIS 28 Cb -0.04 -0.61 -0.13 0.00 -1.02 0.00 0.00 32.58 30.79 1pus s HIS 28 CO 0.10 -0.90 2.42 -1.33 1.02 0.00 0.00 174.74 176.05 1pus n MET 29 N -0.59 0.65 0.00 1.40 2.81 -1.26 -4.70 117.12 115.43 1pus n MET 29 Ca 0.06 -0.69 0.08 0.00 -1.81 0.00 0.00 57.70 55.34 1pus n MET 29 Cb 0.62 -3.66 0.37 0.00 -0.71 0.00 0.00 33.22 29.85 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 18.25 1.80 -0.33 3.04 0.00 -1.26 -2.74 120.51 139.27 1pus n ALA 30 Ca 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1pus n ALA 30 Cb 0.45 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 18.85 1pus n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pus n ASN 31 N -1.45 3.93 -0.88 0.00 2.85 -1.26 -4.08 115.26 114.38 1pus n ASN 31 Ca 0.05 -2.77 0.02 0.00 -0.11 0.00 0.00 54.58 51.77 1pus n ASN 31 Cb 0.18 -0.66 0.21 0.00 1.24 0.00 0.00 39.78 40.75 1pus n ASN 31 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1pus n LYS 32 N 0.07 1.98 -1.59 1.20 4.01 -1.07 -3.47 118.16 119.30 1pus n LYS 32 Ca 0.26 -3.04 -0.61 0.00 -0.51 0.00 0.00 58.31 54.40 1pus n LYS 32 Cb 1.02 -1.76 -0.09 0.00 -0.51 0.00 0.00 35.03 33.69 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 -1.02 1.52 0.00 -0.35 0.00 -0.92 -4.36 117.00 111.87 1pus n LEU 33 Ca 0.26 0.95 -0.02 0.00 0.00 0.00 0.00 56.01 57.21 1pus n LEU 33 Cb 0.91 -1.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.32 1pus n LEU 33 CO 0.13 -0.70 -0.01 1.21 0.00 0.00 0.00 177.39 178.02 1pus n GLU 34 N 5.67 0.78 -4.54 1.96 2.13 -0.72 -3.58 120.64 122.34 1pus n GLU 34 Ca 0.37 -0.31 -0.26 0.00 0.66 0.00 0.00 57.16 57.62 1pus n GLU 34 Cb 0.03 0.18 -0.10 0.00 0.27 0.00 0.00 31.44 31.81 1pus n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1pus s PHE 35 N -1.74 2.43 0.99 4.31 0.40 -1.26 -1.34 117.98 121.78 1pus s PHE 35 Ca 0.02 -0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 1pus s PHE 35 Cb 0.00 -1.45 0.19 0.00 0.51 0.00 0.00 43.02 42.27 1pus s PHE 35 CO 0.01 0.56 1.08 -1.25 0.70 0.00 0.00 175.22 176.33 1pus s PRO 36 N -3.63 0.46 0.00 0.24 0.04 -1.26 -4.79 135.00 126.06 1pus s PRO 36 Ca 0.33 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1pus s PRO 36 Cb 0.03 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1pus s PRO 36 CO 0.17 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1pus n GLY 37 N -0.68 0.83 3.12 0.56 0.00 -1.25 -3.31 105.19 104.45 1pus n GLY 37 Ca 0.06 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.71 1.14 0.00 -0.02 0.00 -1.25 -2.11 107.32 103.37 1pus s GLY 38 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1pus s GLY 38 CO 0.00 0.01 0.00 1.17 0.00 0.00 0.00 173.10 174.28 1pus n LYS 39 N 3.93 0.00 -0.19 2.90 4.81 -1.26 -4.96 118.16 123.39 1pus n LYS 39 Ca -0.20 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.54 1pus n LYS 39 Cb 0.52 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.30 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 0.50 0.00 3.15 3.07 -1.83 -3.02 117.51 119.38 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 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 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 -1.25 -4.32 120.64 111.32 1pus n GLU 41 Ca 0.19 0.35 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 1pus n GLU 41 Cb 1.01 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.95 1pus n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pus n MET 42 N -0.78 0.00 -0.74 3.44 2.81 -1.14 -2.05 117.12 118.65 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 0.01 1.33 3.03 0.00 -1.26 -5.14 105.19 103.15 1pus n GLY 43 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1pus n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pus n GLU 44 N 0.00 0.54 -3.67 1.61 4.71 -0.87 -5.08 120.64 117.88 1pus n GLU 44 Ca -0.14 -0.98 -0.24 0.00 -0.01 0.00 0.00 57.16 55.79 1pus n GLU 44 Cb 0.47 -0.18 -0.02 0.00 -1.01 0.00 0.00 31.44 30.70 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 -0.66 5.19 0.61 2.62 2.01 -1.26 -4.73 115.64 119.41 1pus s THR 45 Ca 0.22 -0.58 0.26 0.00 0.31 0.00 0.00 61.69 61.90 1pus s THR 45 Cb -0.01 -3.81 0.36 0.00 0.01 0.00 0.00 72.50 69.04 1pus s THR 45 CO 0.14 -0.35 1.61 1.55 -0.69 0.00 0.00 174.62 176.88 1pus h PRO 46 N 1.33 0.00 0.00 4.92 0.13 -1.99 1.44 132.00 137.83 1pus h PRO 46 Ca -0.50 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.24 1pus h PRO 46 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1pus h PRO 46 CO 0.64 0.00 -2.40 0.39 -0.23 0.00 0.00 178.00 176.40 1pus n GLU 47 N -3.37 0.58 0.06 0.86 -0.58 -1.26 -4.48 120.64 112.44 1pus n GLU 47 Ca 0.13 0.18 0.13 0.00 -0.42 0.00 0.00 57.16 57.19 1pus n GLU 47 Cb 1.01 -1.45 0.50 0.00 -0.57 0.00 0.00 31.44 30.93 1pus n GLU 47 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pus n GLN 48 N -3.60 0.14 0.23 3.49 1.13 -0.60 -3.13 117.38 115.05 1pus n GLN 48 Ca -0.46 0.12 -0.15 0.00 -1.94 0.00 0.00 57.00 54.56 1pus n GLN 48 Cb 0.91 -1.67 -0.08 0.00 0.11 0.00 0.00 30.24 29.52 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 2.74 -0.54 0.08 -1.58 0.00 0.17 -1.94 119.26 118.20 1pus h ALA 49 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1pus h ALA 49 Cb 0.63 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.65 1pus h ALA 49 CO 0.00 -0.79 -0.75 -0.24 0.00 0.00 0.00 179.25 177.48 1pus h VAL 50 N -0.56 1.47 -0.99 0.00 3.04 -1.78 -2.48 116.25 114.93 1pus h VAL 50 Ca -0.05 -2.34 0.22 0.00 -1.01 0.00 0.00 66.70 63.52 1pus h VAL 50 Cb 0.43 2.93 -0.10 0.00 -2.01 0.00 0.00 31.29 32.54 1pus h VAL 50 CO 0.09 0.67 0.62 0.58 -1.01 0.00 0.00 177.57 178.53 1pus h VAL 51 N -0.23 0.63 0.01 1.51 2.07 -1.59 1.55 116.25 120.20 1pus h VAL 51 Ca -0.12 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1pus h VAL 51 Cb 1.52 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1pus h VAL 51 CO 0.14 0.10 -0.07 0.03 0.02 0.00 0.00 177.57 177.80 1pus h ARG 52 N 0.56 0.03 0.00 1.57 3.08 -1.42 -3.27 114.38 114.93 1pus h ARG 52 Ca 0.56 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1pus h ARG 52 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1pus h ARG 52 CO -0.32 0.95 0.00 1.49 -1.07 0.00 0.00 179.97 181.03 1pus h GLU 53 N -0.87 0.00 -0.54 0.04 4.57 -0.81 -2.77 114.58 114.19 1pus h GLU 53 Ca -0.01 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1pus h GLU 53 Cb 0.99 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1pus h GLU 53 CO 0.01 0.00 0.35 1.25 -1.18 0.00 0.00 179.01 179.44 1pus h LEU 54 N 0.00 0.59 -1.23 1.64 5.85 0.21 1.17 115.31 123.55 1pus h LEU 54 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1pus h LEU 54 Cb 0.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1pus h LEU 54 CO 0.00 0.42 -0.03 1.56 -0.34 0.00 0.00 178.44 180.06 1pus h GLN 55 N 0.71 0.49 0.00 1.25 7.50 -1.63 1.17 115.11 124.60 1pus h GLN 55 Ca 0.21 -0.11 -0.08 0.00 0.50 0.00 0.00 58.65 59.17 1pus h GLN 55 Cb -0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 1pus h GLN 55 CO -0.06 0.54 -0.36 1.49 -1.50 0.00 0.00 178.83 178.94 1pus h GLU 56 N 0.47 0.00 -0.26 1.46 4.22 -1.23 0.77 114.58 120.01 1pus h GLU 56 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1pus h GLU 56 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1pus h GLU 56 CO 0.01 0.36 0.00 0.39 -2.18 0.00 0.00 179.01 177.59 1pus n GLU 57 N -3.27 2.02 0.00 1.92 -0.58 0.39 0.18 120.64 121.31 1pus n GLU 57 Ca 0.02 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.93 1pus n GLU 57 Cb 0.62 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 0.79 0.00 0.00 2.62 0.31 0.39 -4.33 118.33 118.11 1pus n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pus n VAL 58 Cb 0.42 -0.42 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 2.02 0.41 2.87 2.92 0.00 0.27 0.91 105.19 114.58 1pus n GLY 59 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.75 -0.61 -5.35 -1.26 -4.83 119.36 103.56 1pus n ILE 60 Ca 0.00 -0.66 -0.35 0.00 -0.27 0.00 0.00 62.75 61.47 1pus n ILE 60 Cb 0.00 -1.53 -0.10 0.00 -1.74 0.00 0.00 39.64 36.27 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 -3.05 3.58 0.03 7.28 -4.23 -1.26 -4.95 115.64 113.03 1pus s THR 61 Ca 0.56 -3.21 0.04 0.00 -1.18 0.00 0.00 61.69 57.91 1pus s THR 61 Cb -0.02 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1pus s THR 61 CO 0.40 -0.90 -0.08 -2.16 -0.54 0.00 0.00 174.62 171.34 1pus s PRO 62 N -0.35 2.44 -1.24 3.99 0.04 -1.26 -3.31 135.00 135.31 1pus s PRO 62 Ca 0.19 -0.80 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1pus s PRO 62 Cb -0.19 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1pus s PRO 62 CO -0.04 0.58 1.85 1.04 0.04 0.00 0.00 177.00 180.46 1pus n GLN 63 N 1.39 2.39 -5.07 4.56 6.02 -0.37 -4.85 117.38 121.46 1pus n GLN 63 Ca -0.15 -2.85 -0.32 0.00 -0.01 0.00 0.00 57.00 53.67 1pus n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.02 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 7.53 2.58 -0.12 1.08 2.46 -1.24 -0.50 115.29 127.08 1pus s HIS 64 Ca 0.61 -1.12 -0.33 0.00 0.47 0.00 0.00 55.06 54.68 1pus s HIS 64 Cb 0.02 -1.73 0.15 0.00 -0.13 0.00 0.00 32.58 30.89 1pus s HIS 64 CO 0.11 -0.47 1.43 0.12 -2.47 0.00 0.00 174.74 173.45 1pus s PHE 65 N 0.47 -0.01 0.00 3.88 5.36 -1.14 -4.95 117.98 121.59 1pus s PHE 65 Ca -0.16 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 1pus s PHE 65 Cb -0.17 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1pus s PHE 65 CO 0.06 -0.03 0.00 0.45 -1.46 0.00 0.00 175.22 174.24 1pus n SER 66 N -0.44 0.00 -4.30 6.13 2.88 -1.23 -4.06 113.62 112.60 1pus n SER 66 Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 1pus n SER 66 Cb 0.63 0.35 -0.14 0.00 -0.75 0.00 0.00 64.21 64.29 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 -2.87 2.72 0.09 2.46 0.05 -1.26 0.14 118.68 120.01 1pus s LEU 67 Ca 0.00 -0.41 -0.10 0.00 0.05 0.00 0.00 54.13 53.67 1pus s LEU 67 Cb 0.00 -1.66 -0.21 0.00 -2.05 0.00 0.00 46.19 42.27 1pus s LEU 67 CO 0.00 0.04 1.20 2.19 -0.55 0.00 0.00 176.35 179.23 1pus h PHE 68 N 7.64 0.85 -1.44 3.48 -0.00 -1.72 -3.42 116.94 122.34 1pus h PHE 68 Ca -0.37 -0.50 0.10 0.00 -0.00 0.00 0.00 57.97 57.20 1pus h PHE 68 Cb 1.17 -0.08 -0.28 0.00 -0.00 0.00 0.00 35.95 36.76 1pus h PHE 68 CO 0.54 1.34 0.59 -1.21 -0.00 0.00 0.00 178.31 179.58 1pus s GLU 69 N -3.14 0.38 -0.06 6.09 2.02 -0.65 -5.00 118.70 118.33 1pus s GLU 69 Ca -0.08 0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.28 1pus s GLU 69 Cb 0.07 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.52 1pus s GLU 69 CO 0.91 -0.06 0.14 -1.59 0.02 0.00 0.00 175.26 174.68 1pus s LYS 70 N 0.01 0.10 0.29 1.61 0.00 -1.26 -0.33 119.74 120.16 1pus s LYS 70 Ca 0.04 0.33 0.07 0.00 0.00 0.00 0.00 55.97 56.41 1pus s LYS 70 Cb -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 37.83 37.60 1pus s LYS 70 CO -0.08 -0.13 -0.07 -0.48 0.00 0.00 0.00 175.35 174.59 1pus s LEU 71 N 0.93 2.53 -0.08 2.77 0.05 -0.04 -4.95 118.68 119.89 1pus s LEU 71 Ca -0.07 -1.19 -0.03 0.00 0.05 0.00 0.00 54.13 52.89 1pus s LEU 71 Cb -0.09 -0.72 0.04 0.00 -2.05 0.00 0.00 46.19 43.37 1pus s LEU 71 CO -0.05 -0.31 0.07 -0.70 -0.55 0.00 0.00 176.35 174.81 1pus s GLU 72 N -3.70 -0.01 0.03 1.48 2.12 -1.26 -2.36 118.70 115.00 1pus s GLU 72 Ca 0.30 0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.84 1pus s GLU 72 Cb 0.03 -0.94 -0.02 0.00 0.26 0.00 0.00 34.13 33.46 1pus s GLU 72 CO 0.13 -0.43 0.01 1.52 -0.54 0.00 0.00 175.26 175.94 1pus s TYR 73 N 2.15 0.28 -0.15 5.30 1.13 -1.21 -5.02 117.35 119.83 1pus s TYR 73 Ca 0.04 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.11 1pus s TYR 73 Cb -0.13 -0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.52 1pus s TYR 73 CO -0.05 -0.27 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.70 1pus s GLU 74 N -2.20 3.10 0.70 -3.49 -1.05 -1.26 -2.51 118.70 111.99 1pus s GLU 74 Ca -0.09 -0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 53.81 1pus s GLU 74 Cb -0.04 -2.55 0.01 0.00 -0.44 0.00 0.00 34.13 31.11 1pus s GLU 74 CO -0.03 -0.04 1.08 -0.06 0.95 0.00 0.00 175.26 177.16 1pus s PHE 75 N 0.91 3.31 -0.74 4.83 0.08 0.38 -4.85 117.98 121.89 1pus s PHE 75 Ca -0.04 1.14 -0.18 0.00 0.12 0.00 0.00 56.93 57.97 1pus s PHE 75 Cb -0.15 -2.99 -0.17 0.00 -0.57 0.00 0.00 43.02 39.15 1pus s PHE 75 CO -0.03 -1.15 1.86 -0.35 -0.10 0.00 0.00 175.22 175.45 1pus n PRO 76 N -3.01 0.13 -0.45 0.24 -0.04 -1.26 0.27 135.00 130.87 1pus n PRO 76 Ca 0.07 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1pus n PRO 76 Cb 0.56 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 14.40 -1.36 -3.57 3.54 -0.08 -1.26 -5.03 116.55 123.18 1pus n ASP 77 Ca 0.33 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.32 1pus n ASP 77 Cb 0.44 -0.23 -0.14 0.00 2.34 0.00 0.00 41.12 43.54 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1pus s ARG 78 N -0.57 0.51 -0.57 -0.67 3.52 0.14 -4.42 118.95 116.90 1pus s ARG 78 Ca 0.00 -1.03 -0.28 0.00 -0.13 0.00 0.00 55.73 54.29 1pus s ARG 78 Cb 0.00 -1.48 0.03 0.00 -1.56 0.00 0.00 34.95 31.94 1pus s ARG 78 CO 0.00 -1.09 1.17 -1.58 -0.81 0.00 0.00 175.30 173.00 1pus s HIS 79 N 1.51 2.64 -0.12 5.12 5.65 -1.17 0.14 115.29 129.06 1pus s HIS 79 Ca 0.13 0.42 0.03 0.00 0.25 0.00 0.00 55.06 55.89 1pus s HIS 79 Cb -0.19 -4.48 0.01 0.00 -1.18 0.00 0.00 32.58 26.73 1pus s HIS 79 CO -0.19 -1.54 -0.22 0.96 -0.65 0.00 0.00 174.74 173.10 1pus s ILE 80 N 4.84 2.02 -0.29 0.89 -4.36 -1.04 -0.55 121.20 122.70 1pus s ILE 80 Ca 0.43 -0.97 -0.14 0.00 -0.26 0.00 0.00 60.65 59.71 1pus s ILE 80 Cb -0.08 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 1pus s ILE 80 CO 0.26 0.55 0.32 0.42 0.24 0.00 0.00 174.94 176.72 1pus s THR 81 N 0.63 5.21 -0.33 8.37 -4.23 -1.19 -3.34 115.64 120.75 1pus s THR 81 Ca -0.12 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1pus s THR 81 Cb -0.16 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.99 1pus s THR 81 CO 0.02 0.11 0.16 -0.22 -0.54 0.00 0.00 174.62 174.16 1pus s LEU 82 N 1.97 4.29 -0.18 4.79 2.96 -1.00 -0.54 118.68 130.97 1pus s LEU 82 Ca 0.12 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1pus s LEU 82 Cb -0.16 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1pus s LEU 82 CO 0.11 -0.26 -0.12 0.26 -1.32 0.00 0.00 176.35 175.01 1pus s TRP 83 N 1.58 2.84 -0.37 5.38 0.52 -0.81 -0.86 118.94 127.22 1pus s TRP 83 Ca 0.03 -1.13 -0.10 0.00 0.02 0.00 0.00 56.10 54.92 1pus s TRP 83 Cb -0.18 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.21 1pus s TRP 83 CO 0.06 -0.56 0.20 -0.06 0.02 0.00 0.00 176.95 176.60 1pus s PHE 84 N 1.13 3.25 0.13 -1.98 0.40 0.55 0.11 117.98 121.57 1pus s PHE 84 Ca 0.01 -1.07 -0.06 0.00 -0.60 0.00 0.00 56.93 55.20 1pus s PHE 84 Cb -0.14 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.88 1pus s PHE 84 CO -0.04 -0.68 0.39 -1.58 0.70 0.00 0.00 175.22 174.01 1pus s TRP 85 N 1.52 3.50 -0.04 0.36 0.52 0.43 -1.63 118.94 123.59 1pus s TRP 85 Ca 0.01 0.64 -0.14 0.00 0.02 0.00 0.00 56.10 56.64 1pus s TRP 85 Cb -0.20 -2.06 -0.05 0.00 -1.15 0.00 0.00 33.47 30.01 1pus s TRP 85 CO 0.06 0.44 0.36 -1.17 0.02 0.00 0.00 176.95 176.66 1pus s LEU 86 N -2.47 4.43 0.06 2.99 2.96 0.37 -2.35 118.68 124.66 1pus s LEU 86 Ca 0.39 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 55.21 1pus s LEU 86 Cb -0.12 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1pus s LEU 86 CO 0.22 0.29 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.64 1pus s VAL 87 N -0.79 1.75 -0.04 1.68 1.01 -1.17 -2.90 120.40 119.93 1pus s VAL 87 Ca 0.22 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1pus s VAL 87 Cb -0.15 -1.53 -0.11 0.00 0.00 0.00 0.00 36.38 34.58 1pus s VAL 87 CO 0.11 0.18 0.11 -0.62 0.00 0.00 0.00 175.10 174.87 1pus n GLU 88 N 1.68 1.41 -3.48 2.72 -0.58 -1.10 -3.76 120.64 117.54 1pus n GLU 88 Ca -0.18 -0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.42 1pus n GLU 88 Cb 0.53 -1.19 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1pus s ARG 89 N -2.38 1.13 -0.26 3.49 6.06 0.34 -4.63 118.95 122.71 1pus s ARG 89 Ca -0.03 -0.44 -0.10 0.00 -2.50 0.00 0.00 55.73 52.66 1pus s ARG 89 Cb 0.04 0.51 0.11 0.00 0.06 0.00 0.00 34.95 35.66 1pus s ARG 89 CO 0.31 -0.50 0.57 1.67 -2.50 0.00 0.00 175.30 174.86 1pus s TRP 90 N -3.52 -1.11 0.57 5.12 -2.14 -1.18 -1.23 118.94 115.45 1pus s TRP 90 Ca 0.03 2.02 -0.15 0.00 2.66 0.00 0.00 56.10 60.65 1pus s TRP 90 Cb -0.01 0.61 -0.05 0.00 -3.10 0.00 0.00 33.47 30.92 1pus s TRP 90 CO -0.10 -0.58 1.02 -1.21 -2.66 0.00 0.00 176.95 173.42 1pus s GLU 91 N 2.59 3.59 5.35 3.25 2.02 -1.21 -4.84 118.70 129.45 1pus s GLU 91 Ca -0.05 1.05 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1pus s GLU 91 Cb -0.11 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1pus s GLU 91 CO -0.17 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1pus n GLY 92 N -1.43 3.10 3.32 -1.39 0.00 -1.26 -4.59 105.19 102.93 1pus n GLY 92 Ca 0.08 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 1.46 0.01 1.61 2.02 -1.26 -5.12 118.70 117.41 1pus s GLU 93 Ca 0.00 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 1pus s GLU 93 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1pus s GLU 93 CO 0.00 0.43 1.12 -2.14 0.02 0.00 0.00 175.26 174.68 1pus s PRO 94 N -1.57 4.45 0.24 0.39 0.02 -1.26 -4.63 135.00 132.63 1pus s PRO 94 Ca 0.10 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1pus s PRO 94 Cb -0.10 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1pus s PRO 94 CO 0.03 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.79 1pus n TRP 95 N 4.27 -1.95 0.00 6.54 4.27 -0.33 -4.84 117.44 125.40 1pus n TRP 95 Ca 0.08 0.34 0.00 0.00 -3.89 0.00 0.00 57.50 54.04 1pus n TRP 95 Cb 0.48 0.49 0.00 0.00 -1.36 0.00 0.00 31.31 30.92 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 1.83 0.52 0.00 -1.67 0.00 0.26 -3.51 105.19 102.62 1pus n GLY 96 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.26 1.61 0.00 0.48 -4.61 118.16 115.91 1pus n LYS 97 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.40 1pus n LYS 97 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 35.03 35.71 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 0.00 1.64 -0.00 -1.72 -3.46 114.58 111.04 1pus h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1pus h GLU 98 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1pus h GLU 98 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 179.01 179.44 1pus n GLY 99 N -1.44 0.76 2.51 1.06 0.00 -1.26 -5.01 105.19 101.81 1pus n GLY 99 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.65 0.35 0.26 1.61 -0.21 -1.26 -5.12 119.66 114.65 1pus s GLN 100 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.36 54.23 1pus s GLN 100 Cb 0.00 -1.21 -0.16 0.00 1.00 0.00 0.00 33.01 32.64 1pus s GLN 100 CO 0.00 -1.11 0.64 -2.30 -2.12 0.00 0.00 175.29 170.41 1pus n PRO 101 N 4.71 0.47 -4.34 2.91 -0.02 -1.26 -4.41 135.00 133.05 1pus n PRO 101 Ca 0.02 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.49 1pus n PRO 101 Cb 0.40 -1.31 -0.10 0.00 -0.02 0.00 0.00 33.50 32.47 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 -0.86 1.88 0.17 -1.23 0.00 -1.26 -4.41 107.32 101.62 1pus s GLY 102 Ca 0.62 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 43.60 1pus s GLY 102 CO 0.58 -1.62 -0.16 1.85 0.00 0.00 0.00 173.10 173.75 1pus s GLU 103 N -3.95 1.25 -0.50 2.90 2.56 -1.26 -5.01 118.70 114.68 1pus s GLU 103 Ca 0.36 -1.45 -0.28 0.00 0.00 0.00 0.00 54.97 53.60 1pus s GLU 103 Cb 0.07 -1.16 0.01 0.00 2.00 0.00 0.00 34.13 35.05 1pus s GLU 103 CO 0.15 0.21 1.49 -1.58 -0.56 0.00 0.00 175.26 174.98 1pus s TRP 104 N -2.47 2.21 0.22 5.30 0.51 -1.26 -3.97 118.94 119.47 1pus s TRP 104 Ca 0.17 0.57 0.11 0.00 -2.12 0.00 0.00 56.10 54.84 1pus s TRP 104 Cb -0.03 -4.32 -0.05 0.00 -0.81 0.00 0.00 33.47 28.26 1pus s TRP 104 CO 0.06 -2.10 -0.23 0.00 -0.51 0.00 0.00 176.95 174.17 1pus s MET 105 N 5.51 1.55 -0.23 4.98 0.23 -1.05 -4.92 119.30 125.37 1pus s MET 105 Ca 0.59 -1.59 -0.29 0.00 -1.03 0.00 0.00 55.69 53.37 1pus s MET 105 Cb -0.13 -1.80 -0.02 0.00 -1.53 0.00 0.00 34.83 31.35 1pus s MET 105 CO 0.28 0.37 1.58 0.45 -2.03 0.00 0.00 175.02 175.67 1pus s SER 106 N -2.90 6.41 0.45 -1.18 0.15 -1.26 0.14 113.70 115.50 1pus s SER 106 Ca 0.23 1.58 0.28 0.00 0.70 0.00 0.00 55.95 58.74 1pus s SER 106 Cb -0.07 -2.53 0.92 0.00 -1.71 0.00 0.00 66.02 62.62 1pus s SER 106 CO 0.11 -1.24 1.81 0.25 1.20 0.00 0.00 173.24 175.37 1pus h LEU 107 N 11.61 0.00 -1.80 3.45 7.12 -1.77 -3.11 115.31 130.81 1pus h LEU 107 Ca -0.33 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1pus h LEU 107 Cb 1.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1pus h LEU 107 CO 1.00 0.00 0.11 0.58 -0.13 0.00 0.00 178.44 180.00 1pus h VAL 108 N 0.00 0.00 -0.96 1.05 2.07 -1.89 -1.81 116.25 114.70 1pus h VAL 108 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1pus h VAL 108 Cb 0.69 0.60 -0.42 0.00 -1.52 0.00 0.00 31.29 30.64 1pus h VAL 108 CO 0.00 0.00 -0.84 0.61 0.02 0.00 0.00 177.57 177.36 1pus n GLY 109 N -1.23 5.57 3.75 2.17 0.00 -1.18 -4.99 105.19 109.29 1pus n GLY 109 Ca -0.02 -2.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.16 1pus n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pus s LEU 110 N -3.58 3.84 -0.11 0.99 2.96 -0.68 -5.02 118.68 117.08 1pus s LEU 110 Ca 0.46 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 57.05 1pus s LEU 110 Cb 0.40 -4.32 0.01 0.00 0.50 0.00 0.00 46.19 42.78 1pus s LEU 110 CO -0.04 -1.51 -0.19 0.20 -1.32 0.00 0.00 176.35 173.50 1pus s ASN 111 N -1.11 2.68 0.27 3.68 -0.87 -1.26 -4.99 114.94 113.35 1pus s ASN 111 Ca 0.72 -0.49 0.25 0.00 -1.57 0.00 0.00 52.86 51.77 1pus s ASN 111 Cb -0.38 -1.22 0.96 0.00 -0.02 0.00 0.00 41.25 40.59 1pus s ASN 111 CO 0.44 0.07 1.74 0.00 -2.57 0.00 0.00 177.10 176.78 1pus h ALA 112 N 7.19 1.00 0.01 0.60 0.00 -1.95 -2.99 119.26 123.12 1pus h ALA 112 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1pus h ALA 112 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pus h ALA 112 CO 0.50 0.00 -0.08 0.22 0.00 0.00 0.00 179.25 179.89 1pus h ASP 113 N 0.00 0.05 -0.49 0.00 3.58 -1.95 -3.35 116.42 114.26 1pus h ASP 113 Ca 0.00 -0.91 -0.11 0.00 0.42 0.00 0.00 57.03 56.43 1pus h ASP 113 Cb 0.47 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1pus h ASP 113 CO 0.00 0.96 -0.09 -2.24 -2.88 0.00 0.00 179.24 174.99 1pus h ASP 114 N -0.84 0.95 -4.32 2.28 2.03 -1.85 -3.45 116.42 111.23 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 0.13 0.00 -0.83 0.00 0.00 39.33 39.35 1pus h ASP 114 CO 0.02 1.06 0.41 0.72 -1.03 0.00 0.00 179.24 180.42 1pus s PHE 115 N -4.86 2.30 0.03 4.15 -0.71 -1.13 -2.16 117.98 115.61 1pus s PHE 115 Ca -0.11 0.54 -0.30 0.00 -1.04 0.00 0.00 56.93 56.01 1pus s PHE 115 Cb 0.13 -3.79 -0.06 0.00 -1.21 0.00 0.00 43.02 38.10 1pus s PHE 115 CO 0.85 -2.19 1.30 -1.25 -1.34 0.00 0.00 175.22 172.59 1pus s PRO 116 N -5.72 4.35 0.32 1.99 0.04 -1.23 -4.61 135.00 130.13 1pus s PRO 116 Ca 0.68 1.88 0.23 0.00 0.04 0.00 0.00 61.00 63.82 1pus s PRO 116 Cb -0.08 -3.43 1.15 0.00 0.04 0.00 0.00 34.50 32.19 1pus s PRO 116 CO 0.51 -0.42 1.70 -0.35 0.04 0.00 0.00 177.00 178.47 1pus n PRO 117 N 4.58 0.16 0.00 0.56 -0.04 -1.26 -2.01 135.00 136.99 1pus n PRO 117 Ca 0.11 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.23 1pus n PRO 117 Cb 0.45 -1.95 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.78 -1.78 0.55 0.00 -1.26 -2.83 120.51 115.18 1pus n ALA 118 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1pus n ALA 118 Cb 0.09 -1.27 0.15 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 2.43 -0.03 0.00 5.03 -0.85 -4.80 115.26 115.57 1pus n ASN 119 Ca 0.05 -3.71 -0.15 0.00 0.87 0.00 0.00 54.58 51.63 1pus n ASN 119 Cb 0.19 -0.47 -0.10 0.00 -1.02 0.00 0.00 39.78 38.38 1pus n ASN 119 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1pus h GLU 120 N 1.32 0.25 -1.26 3.52 5.08 -1.70 -3.11 114.58 118.68 1pus h GLU 120 Ca 0.07 -0.21 0.38 0.00 -1.00 0.00 0.00 59.36 58.60 1pus h GLU 120 Cb 1.19 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1pus h GLU 120 CO 0.19 0.87 0.83 -1.35 -1.00 0.00 0.00 179.01 178.55 1pus h PRO 121 N -0.31 0.16 0.06 2.33 0.11 -1.87 1.04 132.00 133.52 1pus h PRO 121 Ca -0.02 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 1pus h PRO 121 Cb 0.93 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.02 1pus h PRO 121 CO 0.05 0.11 -0.80 0.28 -0.21 0.00 0.00 178.00 177.43 1pus h VAL 122 N 0.17 1.42 -0.23 3.15 2.07 -1.95 -3.28 116.25 117.59 1pus h VAL 122 Ca 0.73 -2.28 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 1pus h VAL 122 Cb 2.28 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 34.81 1pus h VAL 122 CO -0.31 0.67 -0.28 0.40 0.02 0.00 0.00 177.57 178.06 1pus h ILE 123 N -0.09 1.27 -0.37 4.57 1.08 -0.11 -2.47 117.51 121.39 1pus h ILE 123 Ca -0.12 -1.32 0.11 0.00 -0.39 0.00 0.00 64.86 63.14 1pus h ILE 123 Cb 1.53 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 1pus h ILE 123 CO 0.15 0.41 0.36 0.00 -0.69 0.00 0.00 178.15 178.39 1pus h ALA 124 N 1.30 2.11 0.00 1.87 0.00 0.78 1.80 119.26 127.11 1pus h ALA 124 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pus h ALA 124 Cb 0.70 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pus h ALA 124 CO 0.05 -0.55 -0.01 -0.22 0.00 0.00 0.00 179.25 178.52 1pus h LYS 125 N 0.00 0.00 0.05 0.00 1.63 -1.54 -3.31 116.57 113.39 1pus h LYS 125 Ca 0.18 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.74 1pus h LYS 125 Cb 0.90 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1pus h LYS 125 CO -0.00 0.73 -1.04 1.25 -3.45 0.00 0.00 179.45 176.93 1pus h LEU 126 N -1.00 0.31 -0.82 5.20 6.46 -1.34 -3.30 115.31 120.81 1pus h LEU 126 Ca -0.00 -0.29 0.12 0.00 -0.12 0.00 0.00 57.88 57.59 1pus h LEU 126 Cb 0.73 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.48 1pus h LEU 126 CO -0.00 1.16 0.44 0.50 -0.62 0.00 0.00 178.44 179.92 1pus h LYS 127 N 0.09 0.66 0.00 1.25 3.64 0.26 0.92 116.57 123.39 1pus h LYS 127 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pus h LYS 127 Cb 1.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1pus h LYS 127 CO 0.16 0.44 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1pus n ARG 128 N -4.82 0.10 -0.17 1.90 0.63 -1.24 -4.95 116.66 108.10 1pus n ARG 128 Ca 0.15 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1pus n ARG 128 Cb 0.36 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40