#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 3.74 -0.03 2.12 2.47 -1.24 -5.09 119.74 121.71 1pus s LYS 2 Ca 0.00 -0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 53.93 1pus s LYS 2 Cb 0.00 -3.06 0.03 0.00 -1.46 0.00 0.00 37.83 33.34 1pus s LYS 2 CO 0.00 0.18 0.04 -1.59 0.16 0.00 0.00 175.35 174.13 1pus s LYS 3 N 0.58 -0.03 -0.03 4.03 -2.85 -1.26 -1.43 119.74 118.75 1pus s LYS 3 Ca -0.00 0.25 0.03 0.00 -1.00 0.00 0.00 55.97 55.25 1pus s LYS 3 Cb -0.14 -0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 35.27 1pus s LYS 3 CO 0.02 -0.23 -0.12 -0.48 0.10 0.00 0.00 175.35 174.65 1pus s LEU 4 N 1.47 1.87 0.13 2.77 0.05 0.29 -4.90 118.68 120.37 1pus s LEU 4 Ca -0.04 -0.23 0.03 0.00 0.05 0.00 0.00 54.13 53.94 1pus s LEU 4 Cb -0.13 -0.67 -0.04 0.00 -2.05 0.00 0.00 46.19 43.31 1pus s LEU 4 CO -0.03 0.11 0.18 -1.10 -0.55 0.00 0.00 176.35 174.96 1pus s GLN 5 N 0.05 3.15 -0.11 1.48 -0.21 -1.26 -2.32 119.66 120.44 1pus s GLN 5 Ca -0.01 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1pus s GLN 5 Cb -0.08 -2.82 0.05 0.00 1.00 0.00 0.00 33.01 31.16 1pus s GLN 5 CO 0.01 0.53 0.23 0.96 -2.12 0.00 0.00 175.29 174.90 1pus s ILE 6 N -1.65 -0.22 -0.11 1.08 -0.00 0.17 -3.73 121.20 116.74 1pus s ILE 6 Ca 0.32 0.23 0.02 0.00 -0.00 0.00 0.00 60.65 61.22 1pus s ILE 6 Cb -0.11 -0.38 0.01 0.00 -0.00 0.00 0.00 42.46 41.98 1pus s ILE 6 CO 0.25 0.10 -0.16 0.00 -0.00 0.00 0.00 174.94 175.13 1pus s ALA 7 N 1.86 1.75 0.30 2.27 0.00 -1.13 -1.72 121.76 125.09 1pus s ALA 7 Ca -0.03 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1pus s ALA 7 Cb -0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1pus s ALA 7 CO -0.08 -0.08 -0.04 0.14 0.00 0.00 0.00 175.76 175.70 1pus s VAL 8 N 0.98 2.89 -0.20 0.00 -7.23 0.18 -3.80 120.40 113.22 1pus s VAL 8 Ca -0.06 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1pus s VAL 8 Cb -0.15 -2.71 0.09 0.00 0.56 0.00 0.00 36.38 34.18 1pus s VAL 8 CO -0.02 -0.30 0.25 -0.83 -0.31 0.00 0.00 175.10 173.88 1pus s GLY 9 N -3.66 -0.07 -0.56 2.32 0.00 -1.19 -0.68 107.32 103.48 1pus s GLY 9 Ca 0.33 0.44 -0.27 0.00 0.00 0.00 0.00 44.72 45.21 1pus s GLY 9 CO 0.19 2.18 1.76 -0.26 0.00 0.00 0.00 173.10 176.97 1pus s ILE 10 N 2.37 3.45 -0.08 0.90 -4.36 -1.03 -4.62 121.20 117.82 1pus s ILE 10 Ca 0.07 0.32 -0.30 0.00 -0.26 0.00 0.00 60.65 60.49 1pus s ILE 10 Cb -0.15 -4.00 -0.04 0.00 1.25 0.00 0.00 42.46 39.52 1pus s ILE 10 CO -0.12 -0.90 1.43 -0.63 0.24 0.00 0.00 174.94 174.96 1pus s ILE 11 N 8.17 3.89 -0.07 8.37 1.01 -1.26 -2.59 121.20 138.72 1pus s ILE 11 Ca 0.66 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 62.26 1pus s ILE 11 Cb -0.14 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1pus s ILE 11 CO 0.23 -0.07 0.50 -0.13 0.00 0.00 0.00 174.94 175.47 1pus s ARG 12 N 3.37 4.27 0.27 2.79 1.81 -1.24 0.10 118.95 130.32 1pus s ARG 12 Ca 0.64 0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 55.15 1pus s ARG 12 Cb -0.28 -3.38 0.06 0.00 -0.45 0.00 0.00 34.95 30.89 1pus s ARG 12 CO 0.23 0.29 0.36 0.27 -0.68 0.00 0.00 175.30 175.78 1pus n ASN 13 N 3.15 0.34 0.00 0.23 0.23 0.34 -3.13 115.26 116.41 1pus n ASN 13 Ca -0.08 -1.32 0.02 0.00 -0.53 0.00 0.00 54.58 52.67 1pus n ASN 13 Cb 0.52 -0.25 0.10 0.00 -2.08 0.00 0.00 39.78 38.07 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1pus n GLU 14 N -1.70 0.98 -2.57 -3.83 2.13 -1.26 -3.81 120.64 110.57 1pus n GLU 14 Ca 0.06 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 1pus n GLU 14 Cb 0.20 -1.05 0.02 0.00 0.27 0.00 0.00 31.44 30.88 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 -0.55 2.75 -1.94 4.31 4.05 -1.26 -4.94 115.26 117.68 1pus n ASN 15 Ca 0.03 -2.99 -0.05 0.00 0.45 0.00 0.00 54.58 52.02 1pus n ASN 15 Cb 0.01 -0.48 -0.01 0.00 1.23 0.00 0.00 39.78 40.53 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 -0.34 -1.91 -4.56 1.20 0.23 -1.25 -4.89 115.26 103.74 1pus n ASN 16 Ca 0.21 0.27 -0.24 0.00 -0.53 0.00 0.00 54.58 54.29 1pus n ASN 16 Cb 0.79 -1.84 -0.09 0.00 -2.08 0.00 0.00 39.78 36.56 1pus n ASN 16 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1pus s GLU 17 N -3.97 1.97 -0.06 -3.83 2.02 -1.26 -4.59 118.70 108.98 1pus s GLU 17 Ca 0.00 -1.65 0.05 0.00 0.02 0.00 0.00 54.97 53.39 1pus s GLU 17 Cb 0.00 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 1pus s GLU 17 CO 0.00 0.29 -0.23 -1.50 0.02 0.00 0.00 175.26 173.85 1pus s ILE 18 N -2.45 2.26 -0.46 -1.63 2.07 0.30 0.13 121.20 121.41 1pus s ILE 18 Ca 0.32 -1.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.31 1pus s ILE 18 Cb -0.04 -1.84 0.03 0.00 0.13 0.00 0.00 42.46 40.74 1pus s ILE 18 CO 0.18 0.57 0.90 0.12 -1.91 0.00 0.00 174.94 174.79 1pus s PHE 19 N -0.21 2.93 -0.02 3.50 2.19 0.28 -2.15 117.98 124.50 1pus s PHE 19 Ca -0.02 0.32 0.08 0.00 0.33 0.00 0.00 56.93 57.64 1pus s PHE 19 Cb -0.13 -3.92 -0.02 0.00 -1.31 0.00 0.00 43.02 37.64 1pus s PHE 19 CO 0.03 -1.09 -0.25 0.96 1.83 0.00 0.00 175.22 176.70 1pus s ILE 20 N 3.68 2.14 -0.35 3.12 -4.36 -1.25 -4.13 121.20 120.04 1pus s ILE 20 Ca 0.35 -1.09 -0.29 0.00 -0.26 0.00 0.00 60.65 59.37 1pus s ILE 20 Cb -0.11 -1.75 -0.00 0.00 1.25 0.00 0.00 42.46 41.86 1pus s ILE 20 CO 0.25 0.57 1.47 0.42 0.24 0.00 0.00 174.94 177.89 1pus s THR 21 N -0.63 3.87 -1.10 8.37 -4.23 0.12 -3.96 115.64 118.08 1pus s THR 21 Ca 0.10 0.92 -0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1pus s THR 21 Cb -0.10 -4.06 0.16 0.00 1.34 0.00 0.00 72.50 69.84 1pus s THR 21 CO -0.01 -0.60 1.31 -0.60 -0.54 0.00 0.00 174.62 174.18 1pus s ARG 22 N 4.84 3.92 -1.60 3.99 3.00 -1.24 -0.37 118.95 131.48 1pus s ARG 22 Ca 0.64 -2.32 -0.08 0.00 -1.00 0.00 0.00 55.73 52.97 1pus s ARG 22 Cb -0.17 -4.99 0.07 0.00 0.00 0.00 0.00 34.95 29.87 1pus s ARG 22 CO 0.30 -1.74 0.39 0.54 0.00 0.00 0.00 175.30 174.79 1pus n ARG 23 N 5.83 -2.06 0.00 5.12 5.12 -1.26 -3.54 116.66 125.88 1pus n ARG 23 Ca 0.32 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1pus n ARG 23 Cb 0.45 -4.37 0.00 0.00 -1.16 0.00 0.00 32.46 27.38 1pus n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pus n ALA 24 N -4.40 0.00 -1.06 7.54 0.00 -1.26 -3.67 120.51 117.65 1pus n ALA 24 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pus n ALA 24 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.65 1.76 -2.27 0.00 0.00 -1.23 -3.70 120.51 115.72 1pus n ALA 25 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pus n ALA 25 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1pus n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pus n ASP 26 N -0.99 -0.18 -2.67 0.00 5.75 -1.24 -4.94 116.55 112.28 1pus n ASP 26 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1pus n ASP 26 Cb 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.16 0.00 -1.58 2.12 0.00 -1.26 -4.87 120.51 114.76 1pus n ALA 27 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1pus n ALA 27 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.01 0.50 -3.33 0.00 8.25 -1.26 -3.13 115.22 115.24 1pus n HIS 28 Ca 0.00 0.46 -0.16 0.00 -0.26 0.00 0.00 57.72 57.76 1pus n HIS 28 Cb 0.00 -2.11 0.08 0.00 1.12 0.00 0.00 29.99 29.08 1pus n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1pus n MET 29 N -0.53 -4.94 0.00 -0.41 2.81 -1.26 -4.87 117.12 107.92 1pus n MET 29 Ca 0.12 0.83 0.06 0.00 -1.81 0.00 0.00 57.70 56.91 1pus n MET 29 Cb 0.46 -5.76 0.30 0.00 -0.71 0.00 0.00 33.22 27.51 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 -3.74 1.66 -0.09 3.04 0.00 -1.18 -2.99 120.51 117.20 1pus n ALA 30 Ca -0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1pus n ALA 30 Cb 0.65 -1.22 0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 3.62 -0.89 0.00 5.03 -1.26 -4.05 115.26 116.27 1pus n ASN 31 Ca 0.04 -2.76 0.02 0.00 0.87 0.00 0.00 54.58 52.75 1pus n ASN 31 Cb 0.14 -0.69 0.21 0.00 -1.02 0.00 0.00 39.78 38.42 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 -0.19 1.97 -1.51 3.52 5.02 -0.61 -3.60 118.16 122.76 1pus n LYS 32 Ca 0.27 -3.05 -0.29 0.00 -2.02 0.00 0.00 58.31 53.22 1pus n LYS 32 Cb 0.99 -1.76 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pus n LEU 33 N -1.03 -0.14 -4.85 -0.35 0.00 0.33 -3.88 117.00 107.08 1pus n LEU 33 Ca 0.26 -0.38 -0.23 0.00 0.00 0.00 0.00 56.01 55.66 1pus n LEU 33 Cb 0.91 -0.89 -0.03 0.00 0.00 0.00 0.00 43.42 43.40 1pus n LEU 33 CO 0.13 -1.32 -0.02 -0.70 0.00 0.00 0.00 177.39 175.48 1pus s GLU 34 N 8.06 2.38 0.33 1.96 2.12 0.50 -3.63 118.70 130.41 1pus s GLU 34 Ca 1.26 -1.75 0.10 0.00 0.36 0.00 0.00 54.97 54.95 1pus s GLU 34 Cb -0.86 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.26 1pus s GLU 34 CO 0.46 -0.30 -0.11 -0.59 -0.54 0.00 0.00 175.26 174.18 1pus s PHE 35 N -2.59 2.39 1.12 5.30 -0.12 -1.26 0.13 117.98 122.96 1pus s PHE 35 Ca 0.43 -0.45 -0.12 0.00 -0.05 0.00 0.00 56.93 56.74 1pus s PHE 35 Cb -0.01 -1.28 0.26 0.00 -0.63 0.00 0.00 43.02 41.36 1pus s PHE 35 CO 0.25 0.61 1.05 -1.25 -0.05 0.00 0.00 175.22 175.83 1pus s PRO 36 N -3.59 -0.61 0.00 1.99 0.04 -1.26 -4.78 135.00 126.79 1pus s PRO 36 Ca 0.32 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1pus s PRO 36 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1pus s PRO 36 CO 0.16 -3.55 0.00 0.41 0.04 0.00 0.00 177.00 174.06 1pus n GLY 37 N 0.68 0.84 2.86 0.56 0.00 -1.25 -3.14 105.19 105.74 1pus n GLY 37 Ca 0.04 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.76 0.76 0.00 -0.02 0.00 -1.25 -2.85 107.32 102.20 1pus s GLY 38 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1pus s GLY 38 CO 0.00 0.94 0.00 1.17 0.00 0.00 0.00 173.10 175.21 1pus n LYS 39 N 4.99 0.00 -0.15 2.90 4.81 -1.26 -4.98 118.16 124.47 1pus n LYS 39 Ca -0.11 0.00 0.28 0.00 -0.87 0.00 0.00 58.31 57.61 1pus n LYS 39 Cb 0.49 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.27 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 0.47 0.00 3.15 3.07 -1.85 -3.00 117.51 119.35 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 -4.09 0.00 0.00 0.16 0.28 -1.24 -4.15 120.64 111.59 1pus n GLU 41 Ca 0.18 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1pus n GLU 41 Cb 0.96 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.82 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 -0.95 0.00 -0.78 3.44 2.81 -1.14 -1.89 117.12 118.62 1pus n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1pus n MET 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 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 0.11 3.36 3.03 0.00 -1.26 -5.14 105.19 105.29 1pus n GLY 43 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.42 -4.22 1.61 4.71 -0.79 -5.09 120.64 117.28 1pus n GLU 44 Ca -0.16 -2.57 -0.23 0.00 -0.01 0.00 0.00 57.16 54.19 1pus n GLU 44 Cb 0.51 -0.34 -0.06 0.00 -1.01 0.00 0.00 31.44 30.54 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 -2.29 3.82 0.61 2.62 2.01 -1.26 -4.79 115.64 116.36 1pus s THR 45 Ca 0.54 -1.68 0.25 0.00 0.31 0.00 0.00 61.69 61.11 1pus s THR 45 Cb -0.04 -3.04 0.36 0.00 0.01 0.00 0.00 72.50 69.79 1pus s THR 45 CO 0.35 -0.33 1.46 1.55 -0.69 0.00 0.00 174.62 176.96 1pus h PRO 46 N 1.85 0.00 0.00 4.92 0.13 -1.98 1.56 132.00 138.49 1pus h PRO 46 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1pus h PRO 46 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pus h PRO 46 CO 0.60 0.00 -0.36 1.49 -0.23 0.00 0.00 178.00 179.51 1pus h GLU 47 N 0.00 0.00 -0.00 0.86 4.57 -2.02 -3.40 114.58 114.59 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 -0.02 0.00 -1.18 0.00 0.00 179.01 177.81 1pus n GLN 48 N -4.35 0.41 0.25 1.92 10.64 -0.75 -3.40 117.38 122.10 1pus n GLN 48 Ca -0.05 -0.02 -0.15 0.00 -1.83 0.00 0.00 57.00 54.95 1pus n GLN 48 Cb 0.18 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 27.98 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pus h ALA 49 N 3.41 -0.60 0.07 2.61 0.00 0.20 0.46 119.26 125.40 1pus h ALA 49 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1pus h ALA 49 Cb 0.31 0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pus h ALA 49 CO 0.00 -0.77 -0.62 -0.39 0.00 0.00 0.00 179.25 177.47 1pus h VAL 50 N -0.74 1.51 -0.89 0.00 -1.51 -1.78 -1.45 116.25 111.40 1pus h VAL 50 Ca -0.06 -2.31 0.08 0.00 -1.23 0.00 0.00 66.70 63.17 1pus h VAL 50 Cb 0.53 2.98 -0.07 0.00 -2.13 0.00 0.00 31.29 32.60 1pus h VAL 50 CO 0.10 0.65 0.55 0.58 -1.23 0.00 0.00 177.57 178.22 1pus h VAL 51 N -0.35 1.01 0.05 7.19 2.07 -1.64 1.59 116.25 126.17 1pus h VAL 51 Ca -0.10 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 1pus h VAL 51 Cb 1.42 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1pus h VAL 51 CO 0.12 0.18 -0.41 -0.09 0.02 0.00 0.00 177.57 177.38 1pus h ARG 52 N 0.96 0.19 0.00 1.57 1.12 -0.99 -3.28 114.38 113.96 1pus h ARG 52 Ca 0.40 -0.27 -0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1pus h ARG 52 Cb 0.24 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1pus h ARG 52 CO -0.20 1.07 -0.08 1.49 -3.11 0.00 0.00 179.97 179.14 1pus h GLU 53 N -0.55 0.00 -0.68 0.20 4.57 -1.01 -3.01 114.58 114.10 1pus h GLU 53 Ca -0.07 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1pus h GLU 53 Cb 1.25 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.78 1pus h GLU 53 CO 0.08 0.08 0.34 -0.07 -1.18 0.00 0.00 179.01 178.26 1pus h LEU 54 N 0.00 0.47 -1.52 1.64 4.07 0.23 1.01 115.31 121.21 1pus h LEU 54 Ca -0.00 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1pus h LEU 54 Cb 0.53 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1pus h LEU 54 CO 0.01 0.28 0.33 1.56 -1.08 0.00 0.00 178.44 179.54 1pus h GLN 55 N 0.61 0.65 0.00 1.13 4.20 -1.66 1.72 115.11 121.75 1pus h GLN 55 Ca 0.32 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 1pus h GLN 55 Cb 0.30 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1pus h GLN 55 CO -0.24 0.43 -0.59 1.49 -0.67 0.00 0.00 178.83 179.25 1pus h GLU 56 N 0.67 0.00 -0.24 1.46 4.81 -0.56 0.32 114.58 121.03 1pus h GLU 56 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1pus h GLU 56 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1pus h GLU 56 CO -0.04 0.59 0.00 0.39 -0.73 0.00 0.00 179.01 179.22 1pus n GLU 57 N -3.35 1.96 0.00 1.92 4.71 0.31 0.18 120.64 126.37 1pus n GLU 57 Ca 0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 1pus n GLU 57 Cb 0.72 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pus n VAL 58 N 0.81 0.00 0.00 2.62 0.31 0.57 -4.32 118.33 118.32 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 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1pus n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pus n GLY 59 N 1.97 0.49 2.70 2.92 0.00 0.11 0.96 105.19 114.33 1pus n GLY 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.83 119.36 103.55 1pus n ILE 60 Ca 0.00 -0.62 -0.35 0.00 -0.27 0.00 0.00 62.75 61.51 1pus n ILE 60 Cb 0.00 -1.54 -0.10 0.00 -1.74 0.00 0.00 39.64 36.26 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 -2.93 3.59 0.03 7.28 -4.23 -1.26 -4.93 115.64 113.20 1pus s THR 61 Ca 0.53 -3.18 0.04 0.00 -1.18 0.00 0.00 61.69 57.91 1pus s THR 61 Cb -0.02 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1pus s THR 61 CO 0.38 -0.90 -0.06 -2.16 -0.54 0.00 0.00 174.62 171.35 1pus s PRO 62 N -0.31 2.49 -1.24 3.99 0.04 -1.26 -3.14 135.00 135.56 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 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1pus s PRO 62 CO -0.04 0.58 1.84 -0.65 0.04 0.00 0.00 177.00 178.77 1pus s GLN 63 N -1.71 3.21 -0.08 4.56 -0.21 -0.23 -4.86 119.66 120.35 1pus s GLN 63 Ca 0.19 -1.58 0.04 0.00 0.02 0.00 0.00 55.36 54.04 1pus s GLN 63 Cb -0.11 -5.39 -0.00 0.00 1.00 0.00 0.00 33.01 28.51 1pus s GLN 63 CO 0.10 -3.16 -0.22 -1.58 -2.12 0.00 0.00 175.29 168.31 1pus s HIS 64 N 7.77 2.32 0.00 0.91 2.46 -1.24 -0.68 115.29 126.84 1pus s HIS 64 Ca 0.61 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1pus s HIS 64 Cb 0.02 -1.56 0.00 0.00 -0.13 0.00 0.00 32.58 30.91 1pus s HIS 64 CO 0.11 -0.33 0.00 0.34 -2.47 0.00 0.00 174.74 172.39 1pus n PHE 65 N 3.37 0.00 -1.03 3.88 -0.00 -1.25 -4.95 117.46 117.47 1pus n PHE 65 Ca -0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.37 1pus n PHE 65 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.97 1pus n PHE 65 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1pus n SER 66 N 0.00 -5.21 -3.71 -2.13 2.88 -1.23 -2.22 113.62 102.00 1pus n SER 66 Ca 0.00 0.56 -0.24 0.00 -1.33 0.00 0.00 58.87 57.86 1pus n SER 66 Cb 0.00 -3.31 -0.17 0.00 -0.75 0.00 0.00 64.21 59.98 1pus n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pus s LEU 67 N -5.35 0.59 -0.08 2.46 0.20 -1.26 -1.37 118.68 113.87 1pus s LEU 67 Ca 0.00 -0.32 -0.14 0.00 0.69 0.00 0.00 54.13 54.36 1pus s LEU 67 Cb 0.00 -0.38 -0.11 0.00 -0.43 0.00 0.00 46.19 45.27 1pus s LEU 67 CO 0.00 -0.26 0.51 0.15 -0.29 0.00 0.00 176.35 176.46 1pus h PHE 68 N 8.35 -0.13 -1.43 5.38 3.57 -1.73 -3.42 116.94 127.52 1pus h PHE 68 Ca -0.17 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.46 1pus h PHE 68 Cb 1.13 0.04 -0.28 0.00 2.79 0.00 0.00 35.95 39.63 1pus h PHE 68 CO 0.37 0.23 0.49 -1.21 -2.23 0.00 0.00 178.31 175.96 1pus s GLU 69 N -2.50 0.31 -0.06 1.11 2.02 -1.09 -5.01 118.70 113.47 1pus s GLU 69 Ca -0.09 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.45 1pus s GLU 69 Cb -0.00 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1pus s GLU 69 CO 0.32 -0.06 -0.17 -1.59 0.02 0.00 0.00 175.26 173.77 1pus s LYS 70 N 1.11 2.06 0.34 1.61 0.00 -1.26 -2.32 119.74 121.28 1pus s LYS 70 Ca -0.07 -0.60 0.06 0.00 0.00 0.00 0.00 55.97 55.36 1pus s LYS 70 Cb -0.04 -1.68 -0.07 0.00 0.00 0.00 0.00 37.83 36.05 1pus s LYS 70 CO -0.13 0.15 0.00 -0.48 0.00 0.00 0.00 175.35 174.89 1pus s LEU 71 N 0.34 2.52 -0.03 2.77 -0.00 -0.29 -4.95 118.68 119.04 1pus s LEU 71 Ca -0.11 -1.31 -0.01 0.00 -0.00 0.00 0.00 54.13 52.69 1pus s LEU 71 Cb -0.15 -0.66 0.03 0.00 -0.00 0.00 0.00 46.19 45.41 1pus s LEU 71 CO 0.04 -0.46 0.05 -0.70 -0.00 0.00 0.00 176.35 175.29 1pus s GLU 72 N -3.77 -0.06 0.01 1.48 2.12 -1.26 -2.48 118.70 114.74 1pus s GLU 72 Ca 0.34 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 1pus s GLU 72 Cb 0.07 -0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.04 1pus s GLU 72 CO 0.16 -0.27 0.01 1.52 -0.54 0.00 0.00 175.26 176.13 1pus s TYR 73 N 1.78 0.18 -0.11 5.30 1.13 -1.16 -5.02 117.35 119.46 1pus s TYR 73 Ca -0.00 -0.37 0.03 0.00 -1.41 0.00 0.00 57.07 55.32 1pus s TYR 73 Cb -0.12 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.61 1pus s TYR 73 CO -0.03 -0.18 -0.22 -1.83 -2.51 0.00 0.00 175.55 170.77 1pus s GLU 74 N -1.24 2.89 0.55 -3.49 -1.05 -1.26 -1.71 118.70 113.39 1pus s GLU 74 Ca -0.14 -0.82 -0.06 0.00 -0.15 0.00 0.00 54.97 53.81 1pus s GLU 74 Cb -0.08 -2.24 -0.01 0.00 -0.44 0.00 0.00 34.13 31.36 1pus s GLU 74 CO -0.00 0.10 0.86 -0.06 0.95 0.00 0.00 175.26 177.11 1pus s PHE 75 N 0.53 3.38 -0.59 4.83 0.40 0.35 -4.89 117.98 121.99 1pus s PHE 75 Ca -0.15 0.73 -0.14 0.00 -0.60 0.00 0.00 56.93 56.77 1pus s PHE 75 Cb -0.17 -2.57 -0.14 0.00 0.51 0.00 0.00 43.02 40.65 1pus s PHE 75 CO 0.05 -0.61 1.65 -0.35 0.70 0.00 0.00 175.22 176.66 1pus n PRO 76 N -2.47 0.07 -0.55 0.24 -0.04 -1.26 0.65 135.00 131.65 1pus n PRO 76 Ca 0.03 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1pus n PRO 76 Cb 0.57 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 12.39 -1.64 -3.56 3.54 2.03 -1.26 -5.03 116.55 123.03 1pus n ASP 77 Ca 0.25 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.27 1pus n ASP 77 Cb 0.46 -0.27 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pus s ARG 78 N -0.59 0.59 -0.48 -0.67 3.52 0.21 -3.69 118.95 117.84 1pus s ARG 78 Ca 0.00 -1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 54.12 1pus s ARG 78 Cb 0.00 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1pus s ARG 78 CO 0.00 -1.12 1.31 -1.01 -0.81 0.00 0.00 175.30 173.67 1pus s HIS 79 N 1.30 2.51 -0.30 5.12 3.76 -0.51 0.13 115.29 127.30 1pus s HIS 79 Ca 0.14 0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 55.63 1pus s HIS 79 Cb -0.21 -4.39 0.03 0.00 1.11 0.00 0.00 32.58 29.12 1pus s HIS 79 CO -0.12 -1.74 0.05 -1.50 -0.85 0.00 0.00 174.74 170.58 1pus s ILE 80 N 5.24 3.58 -0.29 0.60 2.07 -0.69 0.11 121.20 131.81 1pus s ILE 80 Ca 0.54 -0.98 -0.14 0.00 -1.41 0.00 0.00 60.65 58.66 1pus s ILE 80 Cb -0.11 -2.93 -0.03 0.00 0.13 0.00 0.00 42.46 39.53 1pus s ILE 80 CO 0.30 -0.00 0.35 0.42 -1.91 0.00 0.00 174.94 174.10 1pus s THR 81 N 1.41 5.19 -0.28 4.00 -4.23 -0.98 -2.97 115.64 117.77 1pus s THR 81 Ca -0.00 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1pus s THR 81 Cb -0.18 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 69.98 1pus s THR 81 CO 0.01 0.11 0.01 -0.76 -0.54 0.00 0.00 174.62 173.45 1pus s LEU 82 N 2.02 3.60 -0.18 4.79 1.43 -1.04 0.43 118.68 129.73 1pus s LEU 82 Ca 0.13 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1pus s LEU 82 Cb -0.16 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1pus s LEU 82 CO 0.11 -0.18 -0.13 0.26 0.23 0.00 0.00 176.35 176.64 1pus s TRP 83 N 1.39 2.84 -0.22 0.29 0.52 -0.70 -1.14 118.94 121.93 1pus s TRP 83 Ca 0.00 -1.16 -0.07 0.00 0.02 0.00 0.00 56.10 54.90 1pus s TRP 83 Cb -0.17 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1pus s TRP 83 CO -0.01 -0.58 0.05 -0.06 0.02 0.00 0.00 176.95 176.37 1pus s PHE 84 N 1.16 3.10 0.06 -1.98 0.40 -0.98 0.49 117.98 120.23 1pus s PHE 84 Ca 0.01 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1pus s PHE 84 Cb -0.14 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1pus s PHE 84 CO -0.05 -0.23 0.08 -1.58 0.70 0.00 0.00 175.22 174.15 1pus s TRP 85 N 1.23 3.22 -0.50 0.36 0.52 0.14 -2.66 118.94 121.24 1pus s TRP 85 Ca 0.04 0.11 -0.16 0.00 0.02 0.00 0.00 56.10 56.11 1pus s TRP 85 Cb -0.14 -1.65 0.09 0.00 -1.15 0.00 0.00 33.47 30.61 1pus s TRP 85 CO 0.03 0.53 0.48 -1.17 0.02 0.00 0.00 176.95 176.84 1pus s LEU 86 N -2.25 5.65 0.30 2.99 1.98 -0.47 -2.48 118.68 124.41 1pus s LEU 86 Ca 0.28 -1.39 -0.22 0.00 -2.89 0.00 0.00 54.13 49.91 1pus s LEU 86 Cb -0.12 -2.24 -0.09 0.00 0.66 0.00 0.00 46.19 44.40 1pus s LEU 86 CO 0.20 -0.78 0.84 -0.69 -1.89 0.00 0.00 176.35 174.04 1pus s VAL 87 N 1.87 4.42 -0.04 1.68 1.01 -1.07 -3.48 120.40 124.80 1pus s VAL 87 Ca 0.06 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.58 1pus s VAL 87 Cb -0.25 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1pus s VAL 87 CO 0.06 0.06 0.08 1.21 0.00 0.00 0.00 175.10 176.52 1pus n GLU 88 N 0.35 1.71 -3.45 2.72 4.07 -1.11 -3.70 120.64 121.22 1pus n GLU 88 Ca 0.01 -0.03 -0.11 0.00 -0.06 0.00 0.00 57.16 56.98 1pus n GLU 88 Cb 0.51 -1.16 -0.02 0.00 -0.06 0.00 0.00 31.44 30.72 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1pus s ARG 89 N -2.29 1.14 -0.20 5.31 6.06 0.14 -4.56 118.95 124.55 1pus s ARG 89 Ca -0.03 -0.42 -0.09 0.00 -2.50 0.00 0.00 55.73 52.69 1pus s ARG 89 Cb 0.03 0.52 0.08 0.00 0.06 0.00 0.00 34.95 35.64 1pus s ARG 89 CO 0.26 -0.50 0.46 1.67 -2.50 0.00 0.00 175.30 174.69 1pus s TRP 90 N -3.55 -0.80 0.42 5.12 -2.14 -1.21 -1.07 118.94 115.71 1pus s TRP 90 Ca 0.02 1.56 -0.23 0.00 2.66 0.00 0.00 56.10 60.12 1pus s TRP 90 Cb -0.01 0.36 -0.09 0.00 -3.10 0.00 0.00 33.47 30.64 1pus s TRP 90 CO -0.11 -0.45 1.07 -1.21 -2.66 0.00 0.00 176.95 173.58 1pus s GLU 91 N 2.14 4.04 6.53 3.25 2.02 -1.19 -4.80 118.70 130.68 1pus s GLU 91 Ca -0.05 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.47 1pus s GLU 91 Cb -0.10 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1pus s GLU 91 CO -0.14 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1pus n GLY 92 N 0.26 3.38 3.32 -1.39 0.00 -1.26 -4.55 105.19 104.95 1pus n GLY 92 Ca 0.06 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 1.66 0.01 1.61 2.02 -1.26 -5.12 118.70 117.62 1pus s GLU 93 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 1pus s GLU 93 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1pus s GLU 93 CO 0.00 0.47 1.12 -2.14 0.02 0.00 0.00 175.26 174.73 1pus s PRO 94 N -1.26 4.46 0.20 0.39 0.02 -1.26 -4.64 135.00 132.90 1pus s PRO 94 Ca 0.11 1.61 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 30.99 1pus s PRO 94 CO 0.02 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.79 1pus n TRP 95 N 4.24 -1.61 0.00 6.54 4.27 -0.06 -4.93 117.44 125.90 1pus n TRP 95 Ca 0.08 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.98 1pus n TRP 95 Cb 0.48 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.87 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 1.95 0.50 0.85 -1.67 0.00 0.27 -3.14 105.19 103.95 1pus n GLY 96 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 0.05 -0.06 1.61 0.00 0.48 -4.61 118.16 115.62 1pus n LYS 97 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 58.31 58.04 1pus n LYS 97 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.42 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 0.04 0.79 0.00 1.64 4.11 -1.71 -3.47 114.58 115.97 1pus h GLU 98 Ca -0.07 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1pus h GLU 98 Cb 0.73 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1pus h GLU 98 CO -0.04 1.10 0.00 0.41 0.07 0.00 0.00 179.01 180.55 1pus n GLY 99 N 0.25 0.41 2.48 1.06 0.00 -1.26 -5.02 105.19 103.11 1pus n GLY 99 Ca -0.03 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.16 0.48 0.18 1.61 -0.21 -1.26 -4.83 119.66 113.46 1pus s GLN 100 Ca 0.00 -1.16 -0.31 0.00 0.02 0.00 0.00 55.36 53.91 1pus s GLN 100 Cb 0.00 -1.25 -0.17 0.00 1.00 0.00 0.00 33.01 32.59 1pus s GLN 100 CO 0.00 -1.17 0.86 -2.30 -2.12 0.00 0.00 175.29 170.56 1pus n PRO 101 N 4.28 0.55 -4.40 2.91 -0.02 -1.24 -4.50 135.00 132.57 1pus n PRO 101 Ca 0.09 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.54 1pus n PRO 101 Cb 0.38 -1.47 -0.08 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.51 2.36 0.06 -1.23 0.00 -1.26 -3.68 107.32 103.06 1pus s GLY 102 Ca 0.70 -1.61 -0.07 0.00 0.00 0.00 0.00 44.72 43.74 1pus s GLY 102 CO 0.56 -1.67 0.13 1.85 0.00 0.00 0.00 173.10 173.98 1pus s GLU 103 N -3.69 0.71 -0.34 2.90 2.12 -1.25 -4.99 118.70 114.15 1pus s GLU 103 Ca 0.32 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.51 1pus s GLU 103 Cb 0.03 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.66 1pus s GLU 103 CO 0.19 -0.20 2.18 -1.58 -0.54 0.00 0.00 175.26 175.30 1pus s TRP 104 N -3.23 1.28 0.09 5.30 0.51 -1.26 -3.84 118.94 117.79 1pus s TRP 104 Ca 0.00 0.85 0.10 0.00 -2.12 0.00 0.00 56.10 54.94 1pus s TRP 104 Cb 0.02 -3.88 -0.03 0.00 -0.81 0.00 0.00 33.47 28.77 1pus s TRP 104 CO -0.07 -3.35 -0.27 -1.64 -0.51 0.00 0.00 176.95 171.11 1pus s MET 105 N 6.81 1.59 -0.28 4.98 -1.94 -0.91 -4.94 119.30 124.59 1pus s MET 105 Ca 0.94 -1.24 -0.29 0.00 -1.71 0.00 0.00 55.69 53.39 1pus s MET 105 Cb -0.25 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 1pus s MET 105 CO 0.31 0.48 1.40 0.45 -0.01 0.00 0.00 175.02 177.65 1pus s SER 106 N -1.67 6.57 0.39 3.03 0.15 -1.26 0.11 113.70 121.01 1pus s SER 106 Ca 0.13 1.30 0.24 0.00 0.70 0.00 0.00 55.95 58.32 1pus s SER 106 Cb -0.10 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.10 1pus s SER 106 CO 0.04 -1.15 1.64 0.25 1.20 0.00 0.00 173.24 175.22 1pus h LEU 107 N 11.19 0.00 -1.73 3.45 5.85 -1.82 -3.28 115.31 128.97 1pus h LEU 107 Ca -0.28 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1pus h LEU 107 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1pus h LEU 107 CO 1.03 0.00 0.54 0.58 -0.34 0.00 0.00 178.44 180.25 1pus h VAL 108 N 0.00 0.18 -1.07 1.05 2.07 -1.89 -1.51 116.25 115.08 1pus h VAL 108 Ca 0.00 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 1pus h VAL 108 Cb 0.95 0.53 -0.41 0.00 -1.52 0.00 0.00 31.29 30.84 1pus h VAL 108 CO 0.00 0.00 -1.02 0.61 0.02 0.00 0.00 177.57 177.18 1pus n GLY 109 N -1.43 3.24 3.74 2.17 0.00 -1.24 -5.10 105.19 106.57 1pus n GLY 109 Ca 0.06 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.36 3.60 -0.05 0.99 0.20 -0.57 -5.03 118.68 114.46 1pus s LEU 110 Ca 0.35 2.51 0.05 0.00 0.69 0.00 0.00 54.13 57.73 1pus s LEU 110 Cb 0.42 -4.61 -0.01 0.00 -0.43 0.00 0.00 46.19 41.57 1pus s LEU 110 CO -0.04 -1.83 -0.21 0.20 -0.29 0.00 0.00 176.35 174.18 1pus s ASN 111 N -1.52 2.61 0.28 3.68 0.01 -1.26 -4.96 114.94 113.78 1pus s ASN 111 Ca 0.80 -0.43 0.25 0.00 -0.71 0.00 0.00 52.86 52.77 1pus s ASN 111 Cb -0.34 -0.73 0.97 0.00 0.41 0.00 0.00 41.25 41.56 1pus s ASN 111 CO 0.37 0.20 1.75 0.00 -1.51 0.00 0.00 177.10 177.90 1pus h ALA 112 N 6.17 1.00 0.01 0.60 0.00 -1.96 -2.90 119.26 122.19 1pus h ALA 112 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1pus h ALA 112 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pus h ALA 112 CO 0.47 0.00 -0.10 -0.44 0.00 0.00 0.00 179.25 179.18 1pus h ASP 113 N 0.00 0.07 0.01 0.00 5.19 -1.94 -3.34 116.42 116.40 1pus h ASP 113 Ca 0.00 -0.94 -0.09 0.00 -0.62 0.00 0.00 57.03 55.38 1pus h ASP 113 Cb 0.46 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1pus h ASP 113 CO 0.00 1.00 -0.26 -2.24 -3.12 0.00 0.00 179.24 174.63 1pus h ASP 114 N -0.86 0.39 -3.53 6.45 2.03 -1.78 -3.43 116.42 115.69 1pus h ASP 114 Ca -0.02 -0.13 -0.46 0.00 -0.73 0.00 0.00 57.03 55.70 1pus h ASP 114 Cb 1.03 -0.11 0.11 0.00 -0.83 0.00 0.00 39.33 39.53 1pus h ASP 114 CO 0.02 0.65 0.27 0.72 -1.03 0.00 0.00 179.24 179.87 1pus s PHE 115 N -4.47 2.24 0.05 4.15 -0.71 -1.10 0.12 117.98 118.26 1pus s PHE 115 Ca -0.06 0.26 -0.31 0.00 -1.04 0.00 0.00 56.93 55.79 1pus s PHE 115 Cb 0.14 -3.44 -0.06 0.00 -1.21 0.00 0.00 43.02 38.45 1pus s PHE 115 CO 0.78 -1.86 1.35 -1.25 -1.34 0.00 0.00 175.22 172.89 1pus s PRO 116 N -5.43 4.33 0.31 1.99 0.04 -1.24 -4.26 135.00 130.74 1pus s PRO 116 Ca 0.66 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.88 1pus s PRO 116 Cb -0.08 -3.42 1.14 0.00 0.04 0.00 0.00 34.50 32.19 1pus s PRO 116 CO 0.47 -0.46 1.71 -1.00 0.04 0.00 0.00 177.00 177.76 1pus h PRO 117 N 7.26 0.00 0.00 0.56 0.13 -1.82 -2.39 132.00 135.75 1pus h PRO 117 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pus h PRO 117 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pus h PRO 117 CO 0.87 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 1pus n ALA 118 N -1.79 1.80 -1.81 -0.56 0.00 -1.26 -2.85 120.51 114.04 1pus n ALA 118 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 1pus n ALA 118 Cb 0.11 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.48 2.44 0.05 0.00 5.03 -0.90 -4.79 115.26 115.61 1pus n ASN 119 Ca 0.04 -3.67 -0.19 0.00 0.87 0.00 0.00 54.58 51.63 1pus n ASN 119 Cb 0.19 -0.46 -0.10 0.00 -1.02 0.00 0.00 39.78 38.39 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 1.33 0.64 -1.01 3.52 5.08 -1.69 -3.23 114.58 119.23 1pus h GLU 120 Ca 0.07 -0.71 0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1pus h GLU 120 Cb 1.21 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.52 1pus h GLU 120 CO 0.20 1.30 0.57 -1.35 -1.00 0.00 0.00 179.01 178.73 1pus h PRO 121 N 0.35 0.32 0.01 2.33 0.11 -1.86 1.70 132.00 134.96 1pus h PRO 121 Ca -0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1pus h PRO 121 Cb 1.71 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.75 1pus h PRO 121 CO 0.20 0.21 -0.01 0.28 -0.21 0.00 0.00 178.00 178.48 1pus h VAL 122 N 0.33 1.53 -0.15 3.15 2.07 -1.96 -3.32 116.25 117.90 1pus h VAL 122 Ca 0.73 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1pus h VAL 122 Cb 1.67 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 34.21 1pus h VAL 122 CO -0.60 0.48 -0.16 0.40 0.02 0.00 0.00 177.57 177.71 1pus h ILE 123 N -0.89 1.20 -0.52 4.57 1.08 -1.25 -2.33 117.51 119.35 1pus h ILE 123 Ca -0.00 -0.88 0.15 0.00 -0.39 0.00 0.00 64.86 63.74 1pus h ILE 123 Cb 0.80 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1pus h ILE 123 CO 0.00 0.27 0.38 0.00 -0.69 0.00 0.00 178.15 178.11 1pus h ALA 124 N 1.61 2.49 0.00 1.87 0.00 0.24 1.73 119.26 127.19 1pus h ALA 124 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pus h ALA 124 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pus h ALA 124 CO 0.03 -0.65 -0.05 0.87 0.00 0.00 0.00 179.25 179.45 1pus h LYS 125 N 0.00 0.03 0.02 0.00 6.56 -1.53 -3.29 116.57 118.36 1pus h LYS 125 Ca 0.25 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.60 1pus h LYS 125 Cb 1.00 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.65 1pus h LYS 125 CO -0.00 0.85 -0.96 1.25 -2.06 0.00 0.00 179.45 178.52 1pus h LEU 126 N -0.77 0.12 -0.82 2.94 7.12 -1.35 -3.29 115.31 119.25 1pus h LEU 126 Ca -0.01 -0.12 0.11 0.00 0.13 0.00 0.00 57.88 58.00 1pus h LEU 126 Cb 0.87 -0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.88 1pus h LEU 126 CO 0.01 1.01 0.45 0.50 -0.13 0.00 0.00 178.44 180.28 1pus h LYS 127 N 0.04 0.69 0.00 1.25 3.64 0.24 0.86 116.57 123.29 1pus h LYS 127 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pus h LYS 127 Cb 1.66 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1pus h LYS 127 CO 0.14 0.46 0.00 -2.13 -2.27 0.00 0.00 179.45 175.64 1pus n ARG 128 N -4.80 0.11 -0.24 1.90 0.63 -1.24 -5.05 116.66 107.97 1pus n ARG 128 Ca 0.15 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1pus n ARG 128 Cb 0.33 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40