#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pus s LYS 2 N 0.00 2.34 0.17 0.03 2.47 -1.26 -5.03 119.74 118.45 1pus s LYS 2 Ca 0.00 -1.61 -0.30 0.00 -1.56 0.00 0.00 55.97 52.49 1pus s LYS 2 Cb 0.00 -3.65 -0.08 0.00 -1.46 0.00 0.00 37.83 32.63 1pus s LYS 2 CO 0.00 -0.99 1.33 -1.59 0.16 0.00 0.00 175.35 174.26 1pus s LYS 3 N 1.29 4.37 -0.01 4.03 0.00 -1.26 -4.36 119.74 123.81 1pus s LYS 3 Ca 0.04 2.04 0.04 0.00 0.00 0.00 0.00 55.97 58.09 1pus s LYS 3 Cb -0.23 -3.22 -0.01 0.00 0.00 0.00 0.00 37.83 34.37 1pus s LYS 3 CO -0.01 -0.31 -0.13 -0.48 0.00 0.00 0.00 175.35 174.43 1pus s LEU 4 N 0.32 2.04 0.08 2.77 0.05 0.11 -4.96 118.68 119.08 1pus s LEU 4 Ca 0.59 -0.24 0.04 0.00 0.05 0.00 0.00 54.13 54.56 1pus s LEU 4 Cb -0.36 -0.64 -0.04 0.00 -2.05 0.00 0.00 46.19 43.10 1pus s LEU 4 CO 0.35 0.14 0.03 -1.10 -0.55 0.00 0.00 176.35 175.23 1pus s GLN 5 N -0.36 2.70 -0.07 1.48 -0.21 -1.26 -2.15 119.66 119.78 1pus s GLN 5 Ca 0.04 -0.76 -0.03 0.00 0.02 0.00 0.00 55.36 54.64 1pus s GLN 5 Cb -0.05 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.37 1pus s GLN 5 CO -0.00 0.56 0.14 0.96 -2.12 0.00 0.00 175.29 174.82 1pus s ILE 6 N -1.32 -0.17 -0.12 1.08 -0.00 0.12 -3.76 121.20 117.03 1pus s ILE 6 Ca 0.26 0.30 0.02 0.00 -0.00 0.00 0.00 60.65 61.23 1pus s ILE 6 Cb -0.12 -0.25 0.02 0.00 -0.00 0.00 0.00 42.46 42.10 1pus s ILE 6 CO 0.19 0.13 -0.16 0.00 -0.00 0.00 0.00 174.94 175.10 1pus s ALA 7 N 1.88 1.78 0.21 2.27 0.00 -0.98 -1.07 121.76 125.86 1pus s ALA 7 Ca -0.01 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1pus s ALA 7 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1pus s ALA 7 CO -0.05 -0.12 -0.15 0.54 0.00 0.00 0.00 175.76 175.98 1pus s VAL 8 N 1.04 2.83 -0.18 0.00 0.11 0.32 -3.84 120.40 120.68 1pus s VAL 8 Ca -0.05 -1.92 -0.04 0.00 -2.93 0.00 0.00 61.98 57.03 1pus s VAL 8 Cb -0.15 -2.41 0.06 0.00 -1.53 0.00 0.00 36.38 32.36 1pus s VAL 8 CO -0.03 -0.18 0.08 -0.83 -3.33 0.00 0.00 175.10 170.81 1pus s GLY 9 N -2.96 0.45 -0.59 6.54 0.00 -1.15 0.11 107.32 109.72 1pus s GLY 9 Ca 0.25 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.24 1pus s GLY 9 CO 0.14 1.68 1.78 -0.42 0.00 0.00 0.00 173.10 176.27 1pus s ILE 10 N 2.06 3.43 -0.02 0.90 1.01 -0.76 -4.61 121.20 123.20 1pus s ILE 10 Ca 0.02 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 1pus s ILE 10 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1pus s ILE 10 CO -0.11 -0.95 1.37 -0.63 0.00 0.00 0.00 174.94 174.63 1pus s ILE 11 N 8.40 3.83 -0.08 2.92 1.01 -1.25 -2.74 121.20 133.29 1pus s ILE 11 Ca 0.65 1.18 -0.12 0.00 0.00 0.00 0.00 60.65 62.37 1pus s ILE 11 Cb -0.13 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1pus s ILE 11 CO 0.22 -0.02 0.28 -0.13 0.00 0.00 0.00 174.94 175.30 1pus s ARG 12 N 2.55 3.82 0.24 2.79 1.81 -1.25 0.10 118.95 129.02 1pus s ARG 12 Ca 0.62 0.14 0.01 0.00 -1.72 0.00 0.00 55.73 54.79 1pus s ARG 12 Cb -0.30 -3.26 0.05 0.00 -0.45 0.00 0.00 34.95 30.99 1pus s ARG 12 CO 0.25 0.62 0.33 0.27 -0.68 0.00 0.00 175.30 176.09 1pus n ASN 13 N 2.28 0.56 0.00 0.23 0.23 0.37 -3.16 115.26 115.78 1pus n ASN 13 Ca -0.16 -1.45 0.11 0.00 -0.53 0.00 0.00 54.58 52.55 1pus n ASN 13 Cb 0.53 -0.20 0.60 0.00 -2.08 0.00 0.00 39.78 38.63 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 -1.59 0.54 -2.11 -3.83 2.13 -1.26 -3.40 120.64 111.12 1pus n GLU 14 Ca 0.06 0.03 -0.24 0.00 0.66 0.00 0.00 57.16 57.68 1pus n GLU 14 Cb 0.21 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.44 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 -1.11 4.80 -1.67 4.31 5.15 -1.26 -4.92 115.26 120.56 1pus n ASN 15 Ca 0.14 -3.70 -0.08 0.00 -0.60 0.00 0.00 54.58 50.34 1pus n ASN 15 Cb 0.11 -0.36 -0.02 0.00 -0.53 0.00 0.00 39.78 38.98 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 -0.67 -2.34 -4.69 1.20 0.23 -1.22 -4.90 115.26 102.86 1pus n ASN 16 Ca 0.42 0.23 -0.23 0.00 -0.53 0.00 0.00 54.58 54.48 1pus n ASN 16 Cb 0.92 -2.25 -0.06 0.00 -2.08 0.00 0.00 39.78 36.31 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 -3.50 2.43 0.00 -3.83 2.02 -1.26 -4.40 118.70 110.15 1pus s GLU 17 Ca 0.00 -1.37 0.07 0.00 0.02 0.00 0.00 54.97 53.69 1pus s GLU 17 Cb 0.00 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 1pus s GLU 17 CO 0.00 0.32 -0.21 -1.50 0.02 0.00 0.00 175.26 173.89 1pus s ILE 18 N -2.31 2.52 -0.33 -1.63 2.07 0.26 0.14 121.20 121.92 1pus s ILE 18 Ca 0.33 -1.09 -0.14 0.00 -1.41 0.00 0.00 60.65 58.33 1pus s ILE 18 Cb -0.06 -1.98 -0.02 0.00 0.13 0.00 0.00 42.46 40.53 1pus s ILE 18 CO 0.21 0.47 0.32 0.12 -1.91 0.00 0.00 174.94 174.16 1pus s PHE 19 N -0.77 3.22 0.13 3.50 2.19 0.29 -2.04 117.98 124.50 1pus s PHE 19 Ca 0.12 -0.03 0.10 0.00 0.33 0.00 0.00 56.93 57.45 1pus s PHE 19 Cb -0.10 -2.59 -0.04 0.00 -1.31 0.00 0.00 43.02 38.98 1pus s PHE 19 CO 0.02 -0.38 -0.25 0.96 1.83 0.00 0.00 175.22 177.40 1pus s ILE 20 N 1.93 2.10 -0.43 3.12 -5.25 -1.25 -3.93 121.20 117.49 1pus s ILE 20 Ca 0.10 -1.73 -0.28 0.00 -0.99 0.00 0.00 60.65 57.76 1pus s ILE 20 Cb -0.17 -1.88 0.02 0.00 2.95 0.00 0.00 42.46 43.39 1pus s ILE 20 CO 0.11 0.02 1.04 0.42 -1.79 0.00 0.00 174.94 174.74 1pus s THR 21 N -1.17 4.38 0.40 8.37 -4.23 -0.04 -3.65 115.64 119.71 1pus s THR 21 Ca 0.12 1.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.89 1pus s THR 21 Cb -0.10 -4.49 -0.01 0.00 1.34 0.00 0.00 72.50 69.25 1pus s THR 21 CO 0.06 -0.80 0.47 0.00 -0.54 0.00 0.00 174.62 173.80 1pus s ARG 22 N 3.99 2.74 -0.61 3.99 1.70 -1.19 -1.17 118.95 128.40 1pus s ARG 22 Ca 0.43 -1.33 -0.05 0.00 -0.47 0.00 0.00 55.73 54.31 1pus s ARG 22 Cb -0.09 -2.61 -0.10 0.00 -0.57 0.00 0.00 34.95 31.58 1pus s ARG 22 CO 0.26 -0.18 2.35 0.54 -1.08 0.00 0.00 175.30 177.19 1pus n ARG 23 N -1.68 1.91 -2.18 3.89 5.12 -1.26 -4.49 116.66 117.97 1pus n ARG 23 Ca 0.05 -1.19 -0.07 0.00 -1.93 0.00 0.00 57.85 54.70 1pus n ARG 23 Cb 0.60 -2.23 -0.01 0.00 -1.16 0.00 0.00 32.46 29.66 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 3.52 -0.70 -2.30 7.54 0.00 -1.26 -0.67 120.51 126.63 1pus n ALA 24 Ca 0.41 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1pus n ALA 24 Cb 0.33 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.85 -0.76 -1.87 0.00 0.00 -1.26 -4.92 120.51 109.85 1pus n ALA 25 Ca -0.08 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1pus n ALA 25 Cb 0.49 -1.15 0.16 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.48 0.24 -1.59 0.00 5.75 0.16 -4.98 116.55 114.65 1pus n ASP 26 Ca -0.10 -1.47 -0.11 0.00 -0.01 0.00 0.00 54.79 53.10 1pus n ASP 26 Cb 0.54 -0.78 0.20 0.00 -1.03 0.00 0.00 41.12 40.05 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 -3.58 4.77 -0.07 2.12 0.00 -1.26 -3.61 120.51 118.89 1pus n ALA 27 Ca -0.17 -2.99 -0.08 0.00 0.00 0.00 0.00 53.44 50.21 1pus n ALA 27 Cb 0.47 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.07 0.00 -2.60 0.00 8.25 -1.26 -4.87 115.22 113.68 1pus n HIS 28 Ca 0.43 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.87 1pus n HIS 28 Cb 1.29 -0.67 0.04 0.00 1.12 0.00 0.00 29.99 31.76 1pus n HIS 28 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1pus n MET 29 N -2.59 0.48 0.14 -0.41 0.00 -1.26 -4.98 117.12 108.49 1pus n MET 29 Ca -0.24 -0.63 0.10 0.00 -0.00 0.00 0.00 57.70 56.93 1pus n MET 29 Cb 0.93 0.10 0.51 0.00 0.00 0.00 0.00 33.22 34.75 1pus n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pus n ALA 30 N -0.56 1.14 1.36 -5.12 0.00 -1.24 -1.49 120.51 114.61 1pus n ALA 30 Ca -0.12 0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1pus n ALA 30 Cb 0.66 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.16 1.03 -0.89 0.00 5.03 -1.25 -3.58 115.26 113.44 1pus n ASN 31 Ca -0.01 -2.03 0.02 0.00 0.87 0.00 0.00 54.58 53.44 1pus n ASN 31 Cb 0.06 -0.17 0.21 0.00 -1.02 0.00 0.00 39.78 38.86 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 -0.00 2.01 -1.52 3.52 5.02 -0.56 -3.21 118.16 123.42 1pus n LYS 32 Ca 0.06 -3.04 -0.39 0.00 -2.02 0.00 0.00 58.31 52.92 1pus n LYS 32 Cb 0.18 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pus n LEU 33 N -1.01 1.07 0.00 -0.35 0.00 0.35 -3.95 117.00 113.11 1pus n LEU 33 Ca 0.26 -0.10 -0.19 0.00 0.00 0.00 0.00 56.01 55.99 1pus n LEU 33 Cb 0.91 -1.18 0.02 0.00 0.00 0.00 0.00 43.42 43.17 1pus n LEU 33 CO 0.13 -1.07 0.13 1.21 0.00 0.00 0.00 177.39 177.79 1pus n GLU 34 N 8.68 0.81 -4.56 1.96 2.13 -0.32 -3.69 120.64 125.65 1pus n GLU 34 Ca 0.55 -2.58 -0.26 0.00 0.66 0.00 0.00 57.16 55.52 1pus n GLU 34 Cb 0.23 0.13 -0.11 0.00 0.27 0.00 0.00 31.44 31.97 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 -2.01 2.44 0.96 4.31 0.40 -1.26 -0.86 117.98 121.96 1pus s PHE 35 Ca 0.31 -0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1pus s PHE 35 Cb -0.02 -1.50 0.17 0.00 0.51 0.00 0.00 43.02 42.17 1pus s PHE 35 CO 0.20 0.54 1.09 -1.25 0.70 0.00 0.00 175.22 176.51 1pus s PRO 36 N -3.64 0.74 0.00 0.24 0.04 -1.26 -4.80 135.00 126.32 1pus s PRO 36 Ca 0.33 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1pus s PRO 36 Cb 0.04 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1pus s PRO 36 CO 0.17 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1pus n GLY 37 N -1.11 0.84 3.18 0.56 0.00 -1.25 -2.93 105.19 104.47 1pus n GLY 37 Ca 0.06 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.74 1.13 0.00 -0.02 0.00 -1.25 -2.31 107.32 103.13 1pus s GLY 38 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1pus s GLY 38 CO 0.00 -0.33 0.00 1.17 0.00 0.00 0.00 173.10 173.94 1pus n LYS 39 N 3.35 0.00 -0.13 2.90 4.81 -1.26 -4.94 118.16 122.89 1pus n LYS 39 Ca -0.19 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.52 1pus n LYS 39 Cb 0.52 -1.02 0.72 0.00 0.02 0.00 0.00 35.03 35.28 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 0.52 0.00 3.15 3.07 -1.84 -3.02 117.51 119.39 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 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.11 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 -4.16 0.00 0.00 0.16 0.28 -1.25 -4.19 120.64 111.49 1pus n GLU 41 Ca 0.17 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.55 1pus n GLU 41 Cb 0.91 -0.95 0.00 0.00 1.43 0.00 0.00 31.44 32.83 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 -0.83 0.00 -0.89 3.44 2.81 -1.14 -2.02 117.12 118.48 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 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 -0.03 2.62 3.03 0.00 -1.26 -5.15 105.19 104.40 1pus n GLY 43 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.09 0.00 -3.89 1.61 4.71 -0.86 -5.08 120.64 117.04 1pus n GLU 44 Ca -0.11 -1.78 -0.27 0.00 -0.01 0.00 0.00 57.16 54.98 1pus n GLU 44 Cb 0.47 -0.51 -0.03 0.00 -1.01 0.00 0.00 31.44 30.36 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 -2.12 5.31 0.61 2.62 2.01 -1.26 -4.76 115.64 118.04 1pus s THR 45 Ca 0.46 -0.57 0.27 0.00 0.31 0.00 0.00 61.69 62.15 1pus s THR 45 Cb -0.02 -3.72 0.37 0.00 0.01 0.00 0.00 72.50 69.14 1pus s THR 45 CO 0.30 -0.06 1.48 1.55 -0.69 0.00 0.00 174.62 177.20 1pus h PRO 46 N 2.30 0.00 0.00 4.92 0.13 -1.99 1.34 132.00 138.70 1pus h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1pus h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1pus h PRO 46 CO 0.70 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.68 1pus n GLU 47 N -3.34 0.52 0.09 0.86 -0.58 -1.26 -4.49 120.64 112.44 1pus n GLU 47 Ca 0.18 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 57.17 1pus n GLU 47 Cb 1.24 -1.41 0.44 0.00 -0.57 0.00 0.00 31.44 31.14 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 -3.12 0.22 0.09 3.49 1.13 -0.13 -3.24 117.38 115.81 1pus n GLN 48 Ca -0.37 0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 54.74 1pus n GLN 48 Cb 0.89 -1.75 -0.07 0.00 0.11 0.00 0.00 30.24 29.42 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 2.61 -0.14 0.06 -1.58 0.00 0.14 0.29 119.26 120.65 1pus h ALA 49 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1pus h ALA 49 Cb 0.70 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pus h ALA 49 CO 0.00 -0.58 -0.58 -0.39 0.00 0.00 0.00 179.25 177.70 1pus h VAL 50 N -0.15 1.52 -0.69 0.00 -1.51 -1.80 -1.24 116.25 112.38 1pus h VAL 50 Ca -0.01 -2.28 0.04 0.00 -1.23 0.00 0.00 66.70 63.23 1pus h VAL 50 Cb 0.13 2.96 -0.05 0.00 -2.13 0.00 0.00 31.29 32.20 1pus h VAL 50 CO 0.01 0.64 0.41 0.58 -1.23 0.00 0.00 177.57 177.98 1pus h VAL 51 N -0.37 1.04 0.08 7.19 2.07 -1.55 1.26 116.25 125.97 1pus h VAL 51 Ca -0.09 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 1pus h VAL 51 Cb 1.37 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1pus h VAL 51 CO 0.11 0.14 -0.72 -0.09 0.02 0.00 0.00 177.57 177.04 1pus h ARG 52 N 0.78 0.34 0.00 1.57 1.12 -0.52 -3.27 114.38 114.40 1pus h ARG 52 Ca 0.29 -0.48 -0.05 0.00 -1.11 0.00 0.00 59.98 58.64 1pus h ARG 52 Cb 0.10 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1pus h ARG 52 CO -0.14 1.18 -0.23 1.49 -3.11 0.00 0.00 179.97 179.16 1pus h GLU 53 N -0.28 0.00 -0.70 0.20 4.22 -1.04 -2.98 114.58 114.00 1pus h GLU 53 Ca -0.11 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.43 1pus h GLU 53 Cb 1.50 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.67 1pus h GLU 53 CO 0.14 0.23 0.31 -0.07 -2.18 0.00 0.00 179.01 177.44 1pus h LEU 54 N 0.00 0.37 -1.38 1.64 4.07 0.16 0.96 115.31 121.12 1pus h LEU 54 Ca -0.00 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1pus h LEU 54 Cb 0.60 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1pus h LEU 54 CO 0.03 0.20 0.36 -0.61 -1.08 0.00 0.00 178.44 177.34 1pus h GLN 55 N 0.52 0.78 0.00 1.13 4.15 -1.65 1.62 115.11 121.65 1pus h GLN 55 Ca 0.36 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.60 1pus h GLN 55 Cb 0.43 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1pus h GLN 55 CO -0.31 0.54 -0.58 1.49 -1.93 0.00 0.00 178.83 178.03 1pus h GLU 56 N 0.79 0.00 -0.28 1.69 4.81 -0.56 0.43 114.58 121.46 1pus h GLU 56 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1pus h GLU 56 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1pus h GLU 56 CO -0.04 0.58 0.00 0.39 -0.73 0.00 0.00 179.01 179.21 1pus n GLU 57 N -3.36 2.13 0.00 1.92 4.71 0.30 0.15 120.64 126.48 1pus n GLU 57 Ca 0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 1pus n GLU 57 Cb 0.72 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 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 0.80 0.00 0.00 2.62 0.31 0.54 -4.27 118.33 118.34 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 0.43 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.04 0.43 2.99 2.92 0.00 0.15 0.85 105.19 114.56 1pus n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.74 -0.61 -5.35 -1.26 -4.84 119.36 103.56 1pus n ILE 60 Ca 0.00 -0.69 -0.35 0.00 -0.27 0.00 0.00 62.75 61.44 1pus n ILE 60 Cb 0.00 -1.52 -0.10 0.00 -1.74 0.00 0.00 39.64 36.28 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 -3.14 3.63 0.04 7.28 -4.23 -1.26 -4.94 115.64 113.02 1pus s THR 61 Ca 0.59 -3.16 0.04 0.00 -1.18 0.00 0.00 61.69 57.98 1pus s THR 61 Cb -0.02 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1pus s THR 61 CO 0.42 -0.90 -0.07 -2.16 -0.54 0.00 0.00 174.62 171.38 1pus s PRO 62 N -0.30 2.46 -1.24 3.99 0.04 -1.26 -3.17 135.00 135.52 1pus s PRO 62 Ca 0.18 -0.80 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1pus s PRO 62 Cb -0.19 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1pus s PRO 62 CO -0.04 0.57 1.84 1.04 0.04 0.00 0.00 177.00 180.46 1pus n GLN 63 N 1.24 2.39 -4.83 4.56 6.02 -0.53 -4.85 117.38 121.38 1pus n GLN 63 Ca -0.14 -2.85 -0.31 0.00 -0.01 0.00 0.00 57.00 53.68 1pus n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 1pus n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pus s HIS 64 N 7.58 2.38 -0.12 1.08 2.46 -1.24 -0.40 115.29 127.03 1pus s HIS 64 Ca 0.61 -1.08 -0.34 0.00 0.47 0.00 0.00 55.06 54.73 1pus s HIS 64 Cb 0.02 -1.63 0.15 0.00 -0.13 0.00 0.00 32.58 30.99 1pus s HIS 64 CO 0.11 -0.48 1.41 0.12 -2.47 0.00 0.00 174.74 173.43 1pus s PHE 65 N 0.65 -0.01 0.00 3.88 5.36 -1.14 -4.95 117.98 121.77 1pus s PHE 65 Ca -0.12 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1pus s PHE 65 Cb -0.16 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1pus s PHE 65 CO 0.03 -0.04 0.00 0.43 -1.46 0.00 0.00 175.22 174.18 1pus n SER 66 N -0.41 0.00 -4.35 6.13 7.64 -1.23 -4.09 113.62 117.30 1pus n SER 66 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.47 1pus n SER 66 Cb 0.62 0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 64.10 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 -2.70 2.91 0.08 -3.43 0.05 -1.26 0.15 118.68 114.48 1pus s LEU 67 Ca 0.00 -0.34 -0.11 0.00 0.05 0.00 0.00 54.13 53.73 1pus s LEU 67 Cb 0.00 -1.72 -0.22 0.00 -2.05 0.00 0.00 46.19 42.20 1pus s LEU 67 CO 0.00 0.05 1.18 2.19 -0.55 0.00 0.00 176.35 179.22 1pus h PHE 68 N 7.60 0.91 -1.44 3.48 -0.00 -1.73 -3.42 116.94 122.34 1pus h PHE 68 Ca -0.37 -0.53 0.12 0.00 -0.00 0.00 0.00 57.97 57.19 1pus h PHE 68 Cb 1.18 -0.09 -0.25 0.00 -0.00 0.00 0.00 35.95 36.79 1pus h PHE 68 CO 0.56 1.37 0.64 -1.21 -0.00 0.00 0.00 178.31 179.67 1pus s GLU 69 N -3.15 0.45 -0.06 6.09 2.02 -0.75 -5.00 118.70 118.30 1pus s GLU 69 Ca -0.08 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 1pus s GLU 69 Cb 0.07 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.54 1pus s GLU 69 CO 0.91 -0.13 0.14 -1.59 0.02 0.00 0.00 175.26 174.61 1pus s LYS 70 N -0.87 0.10 0.22 1.61 -2.85 -1.26 -0.94 119.74 115.75 1pus s LYS 70 Ca 0.01 0.32 0.02 0.00 -1.00 0.00 0.00 55.97 55.33 1pus s LYS 70 Cb -0.01 -0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.58 1pus s LYS 70 CO -0.02 -0.13 0.03 -0.48 0.10 0.00 0.00 175.35 174.84 1pus s LEU 71 N 0.94 1.99 -0.04 2.77 -0.00 -0.62 -4.96 118.68 118.76 1pus s LEU 71 Ca -0.07 -1.26 -0.00 0.00 -0.00 0.00 0.00 54.13 52.80 1pus s LEU 71 Cb -0.09 -0.11 0.03 0.00 -0.00 0.00 0.00 46.19 46.01 1pus s LEU 71 CO -0.05 -0.60 0.01 -0.70 -0.00 0.00 0.00 176.35 175.01 1pus s GLU 72 N -3.93 0.30 0.01 1.48 2.12 -1.26 -2.49 118.70 114.93 1pus s GLU 72 Ca 0.30 0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.75 1pus s GLU 72 Cb 0.07 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.86 1pus s GLU 72 CO 0.09 -0.20 0.02 1.52 -0.54 0.00 0.00 175.26 176.14 1pus s TYR 73 N 1.42 0.13 -0.02 5.30 1.13 -1.16 -5.00 117.35 119.15 1pus s TYR 73 Ca -0.04 -0.27 0.08 0.00 -1.41 0.00 0.00 57.07 55.42 1pus s TYR 73 Cb -0.13 -0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1pus s TYR 73 CO -0.03 -0.16 -0.24 -1.83 -2.51 0.00 0.00 175.55 170.78 1pus s GLU 74 N -1.00 1.99 0.52 -3.49 -1.05 -1.26 -2.07 118.70 112.34 1pus s GLU 74 Ca -0.11 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 53.79 1pus s GLU 74 Cb -0.07 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 31.69 1pus s GLU 74 CO -0.00 0.53 0.81 -0.06 0.95 0.00 0.00 175.26 177.48 1pus s PHE 75 N -0.57 3.34 -0.67 4.83 0.40 0.33 -4.88 117.98 120.76 1pus s PHE 75 Ca 0.09 0.59 -0.15 0.00 -0.60 0.00 0.00 56.93 56.86 1pus s PHE 75 Cb -0.09 -2.50 -0.16 0.00 0.51 0.00 0.00 43.02 40.77 1pus s PHE 75 CO -0.01 -0.55 1.80 -0.35 0.70 0.00 0.00 175.22 176.82 1pus n PRO 76 N -2.36 0.12 -0.34 0.24 -0.04 -1.26 0.14 135.00 131.50 1pus n PRO 76 Ca 0.02 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1pus n PRO 76 Cb 0.57 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 12.72 -1.03 -4.03 3.54 8.00 -1.26 -5.08 116.55 129.41 1pus n ASP 77 Ca 0.32 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 1pus n ASP 77 Cb 0.43 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.68 0.45 -0.28 -1.24 3.52 0.37 -4.17 118.95 116.93 1pus s ARG 78 Ca 0.00 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1pus s ARG 78 Cb 0.00 -0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.32 1pus s ARG 78 CO 0.00 0.01 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.46 1pus s HIS 79 N -1.43 2.94 -0.29 5.12 3.76 -1.26 0.12 115.29 124.26 1pus s HIS 79 Ca -0.12 -2.24 -0.03 0.00 -0.15 0.00 0.00 55.06 52.52 1pus s HIS 79 Cb -0.10 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.59 1pus s HIS 79 CO -0.00 -0.86 0.00 -1.50 -0.85 0.00 0.00 174.74 171.53 1pus s ILE 80 N 1.20 3.17 -0.28 0.60 2.07 -0.88 0.04 121.20 127.12 1pus s ILE 80 Ca -0.01 -1.17 -0.19 0.00 -1.41 0.00 0.00 60.65 57.87 1pus s ILE 80 Cb -0.19 -2.74 -0.02 0.00 0.13 0.00 0.00 42.46 39.64 1pus s ILE 80 CO -0.08 -0.01 0.57 0.42 -1.91 0.00 0.00 174.94 173.94 1pus s THR 81 N 1.32 5.01 -0.30 4.00 -4.23 -0.92 -2.98 115.64 117.55 1pus s THR 81 Ca -0.02 0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1pus s THR 81 Cb -0.19 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 69.75 1pus s THR 81 CO -0.01 -0.03 0.07 -0.76 -0.54 0.00 0.00 174.62 173.35 1pus s LEU 82 N 2.45 3.84 -0.20 4.79 1.43 -1.04 0.16 118.68 130.11 1pus s LEU 82 Ca 0.23 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1pus s LEU 82 Cb -0.15 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1pus s LEU 82 CO 0.10 -0.20 -0.06 0.26 0.23 0.00 0.00 176.35 176.68 1pus s TRP 83 N 1.47 2.94 -0.36 0.29 0.52 -0.23 -1.59 118.94 121.97 1pus s TRP 83 Ca 0.02 -0.87 -0.09 0.00 0.02 0.00 0.00 56.10 55.18 1pus s TRP 83 Cb -0.17 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1pus s TRP 83 CO 0.02 -0.47 0.17 -0.06 0.02 0.00 0.00 176.95 176.62 1pus s PHE 84 N 1.23 3.25 0.07 -1.98 0.40 -0.11 0.12 117.98 120.96 1pus s PHE 84 Ca 0.03 -1.18 -0.03 0.00 -0.60 0.00 0.00 56.93 55.15 1pus s PHE 84 Cb -0.14 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.95 1pus s PHE 84 CO -0.02 -0.69 0.26 -1.58 0.70 0.00 0.00 175.22 173.89 1pus s TRP 85 N 1.49 3.52 -0.04 0.36 0.52 0.31 -1.80 118.94 123.30 1pus s TRP 85 Ca 0.00 0.40 -0.14 0.00 0.02 0.00 0.00 56.10 56.38 1pus s TRP 85 Cb -0.19 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.20 1pus s TRP 85 CO 0.05 0.56 0.37 -1.17 0.02 0.00 0.00 176.95 176.78 1pus s LEU 86 N -2.37 4.43 0.05 2.99 2.96 0.39 -1.83 118.68 125.31 1pus s LEU 86 Ca 0.35 0.86 0.08 0.00 -0.22 0.00 0.00 54.13 55.19 1pus s LEU 86 Cb -0.13 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1pus s LEU 86 CO 0.24 0.29 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.65 1pus s VAL 87 N -0.82 1.78 -0.05 1.68 1.01 -1.11 -2.89 120.40 120.00 1pus s VAL 87 Ca 0.22 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1pus s VAL 87 Cb -0.16 -1.55 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 1pus s VAL 87 CO 0.11 0.21 0.10 1.21 0.00 0.00 0.00 175.10 176.73 1pus n GLU 88 N 1.73 1.60 -3.58 2.72 4.07 -1.10 -3.82 120.64 122.27 1pus n GLU 88 Ca -0.17 -0.04 -0.09 0.00 -0.06 0.00 0.00 57.16 56.80 1pus n GLU 88 Cb 0.53 -1.21 -0.02 0.00 -0.06 0.00 0.00 31.44 30.68 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 -2.38 1.26 -0.25 5.31 6.06 0.46 -4.58 118.95 124.83 1pus s ARG 89 Ca -0.04 -0.56 -0.10 0.00 -2.50 0.00 0.00 55.73 52.53 1pus s ARG 89 Cb 0.04 0.51 0.10 0.00 0.06 0.00 0.00 34.95 35.66 1pus s ARG 89 CO 0.35 -0.56 0.55 1.67 -2.50 0.00 0.00 175.30 174.81 1pus s TRP 90 N -3.56 -1.01 0.48 5.12 -2.14 -1.21 -1.45 118.94 115.16 1pus s TRP 90 Ca 0.06 1.90 -0.21 0.00 2.66 0.00 0.00 56.10 60.51 1pus s TRP 90 Cb -0.02 0.54 -0.08 0.00 -3.10 0.00 0.00 33.47 30.81 1pus s TRP 90 CO -0.06 -0.54 1.04 -2.00 -2.66 0.00 0.00 176.95 172.74 1pus s GLU 91 N 2.33 3.83 5.72 3.25 2.12 -1.19 -4.81 118.70 129.94 1pus s GLU 91 Ca -0.06 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1pus s GLU 91 Cb -0.10 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.15 1pus s GLU 91 CO -0.16 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 1pus n GLY 92 N -0.16 3.21 3.32 -1.50 0.00 -1.26 -4.56 105.19 104.24 1pus n GLY 92 Ca 0.09 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.64 0.01 1.61 2.02 -1.26 -5.12 118.70 117.60 1pus s GLU 93 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.60 1pus s GLU 93 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 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 -1.30 4.45 0.21 0.39 0.02 -1.26 -4.65 135.00 132.86 1pus s PRO 94 Ca 0.11 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.75 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 0.02 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1pus n TRP 95 N 4.27 -1.66 0.00 6.54 4.27 -0.15 -4.90 117.44 125.80 1pus n TRP 95 Ca 0.08 0.29 0.00 0.00 -3.89 0.00 0.00 57.50 53.99 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 1.97 0.52 1.00 -1.67 0.00 0.25 -3.20 105.19 104.07 1pus n GLY 96 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 0.10 0.17 1.61 0.00 0.39 -4.63 118.16 115.79 1pus n LYS 97 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 58.31 58.14 1pus n LYS 97 Cb 0.00 0.35 0.24 0.00 0.00 0.00 0.00 35.03 35.62 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 0.07 0.00 -0.34 1.64 -0.00 -1.74 -3.47 114.58 110.74 1pus h GLU 98 Ca -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.11 1pus h GLU 98 Cb 0.81 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.51 1pus h GLU 98 CO -0.05 0.44 -0.13 0.41 -0.00 0.00 0.00 179.01 179.68 1pus n GLY 99 N 0.51 0.89 2.49 1.06 0.00 -1.26 -4.97 105.19 103.90 1pus n GLY 99 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.29 0.47 0.41 1.61 -0.21 -1.26 -5.12 119.66 113.27 1pus s GLN 100 Ca 0.00 -1.14 -0.22 0.00 0.02 0.00 0.00 55.36 54.02 1pus s GLN 100 Cb 0.00 -1.24 -0.14 0.00 1.00 0.00 0.00 33.01 32.63 1pus s GLN 100 CO 0.00 -1.17 0.37 -2.30 -2.12 0.00 0.00 175.29 170.07 1pus n PRO 101 N 4.30 0.33 -4.40 2.91 -0.02 -1.26 -4.37 135.00 132.49 1pus n PRO 101 Ca 0.08 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1pus n PRO 101 Cb 0.38 -1.31 -0.08 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 -0.98 2.37 0.05 -1.23 0.00 -1.26 -3.19 107.32 103.08 1pus s GLY 102 Ca 0.62 -1.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1pus s GLY 102 CO 0.60 -1.67 0.04 -0.54 0.00 0.00 0.00 173.10 171.53 1pus s GLU 103 N -3.68 0.61 -0.52 2.90 0.41 -1.24 -4.95 118.70 112.23 1pus s GLU 103 Ca 0.31 -0.97 -0.28 0.00 -0.41 0.00 0.00 54.97 53.63 1pus s GLU 103 Cb 0.03 0.23 0.01 0.00 -1.78 0.00 0.00 34.13 32.62 1pus s GLU 103 CO 0.19 -0.14 1.49 -1.58 -0.49 0.00 0.00 175.26 174.73 1pus s TRP 104 N -3.23 2.21 0.09 1.61 0.51 -1.26 -3.78 118.94 115.09 1pus s TRP 104 Ca 0.00 0.55 0.10 0.00 -2.12 0.00 0.00 56.10 54.64 1pus s TRP 104 Cb 0.03 -4.33 -0.03 0.00 -0.81 0.00 0.00 33.47 28.33 1pus s TRP 104 CO -0.07 -2.09 -0.26 0.00 -0.51 0.00 0.00 176.95 174.01 1pus s MET 105 N 5.55 1.52 -0.11 4.98 0.23 -0.87 -4.92 119.30 125.68 1pus s MET 105 Ca 0.58 -1.22 -0.29 0.00 -1.03 0.00 0.00 55.69 53.73 1pus s MET 105 Cb -0.12 -1.86 -0.06 0.00 -1.53 0.00 0.00 34.83 31.25 1pus s MET 105 CO 0.27 0.46 2.03 0.45 -2.03 0.00 0.00 175.02 176.20 1pus s SER 106 N -1.70 5.99 0.39 -1.18 0.15 -1.26 -0.58 113.70 115.52 1pus s SER 106 Ca 0.12 2.18 0.24 0.00 0.70 0.00 0.00 55.95 59.18 1pus s SER 106 Cb -0.10 -2.52 0.43 0.00 -1.71 0.00 0.00 66.02 62.12 1pus s SER 106 CO 0.04 -1.49 1.64 0.25 1.20 0.00 0.00 173.24 174.88 1pus h LEU 107 N 12.78 0.00 -1.41 3.45 7.12 -1.86 -3.25 115.31 132.14 1pus h LEU 107 Ca -0.44 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1pus h LEU 107 Cb 1.23 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1pus h LEU 107 CO 0.96 0.00 0.06 0.58 -0.13 0.00 0.00 178.44 179.91 1pus h VAL 108 N 0.00 0.00 -1.26 1.05 2.07 -1.88 -2.70 116.25 113.53 1pus h VAL 108 Ca 0.00 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.11 1pus h VAL 108 Cb 0.95 0.47 -0.40 0.00 -1.52 0.00 0.00 31.29 30.78 1pus h VAL 108 CO 0.00 0.00 -1.13 0.61 0.02 0.00 0.00 177.57 177.07 1pus n GLY 109 N -1.28 2.50 3.74 2.17 0.00 -1.23 -4.95 105.19 106.14 1pus n GLY 109 Ca -0.01 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.07 3.63 -0.07 0.99 2.96 -1.02 -5.02 118.68 117.08 1pus s LEU 110 Ca 0.32 2.54 0.04 0.00 -0.22 0.00 0.00 54.13 56.81 1pus s LEU 110 Cb 0.43 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.53 1pus s LEU 110 CO -0.01 -1.81 -0.20 0.20 -1.32 0.00 0.00 176.35 173.21 1pus s ASN 111 N -1.44 2.59 0.28 3.68 0.01 -1.26 -4.88 114.94 113.92 1pus s ASN 111 Ca 0.80 -0.45 0.25 0.00 -0.71 0.00 0.00 52.86 52.75 1pus s ASN 111 Cb -0.35 -0.99 0.97 0.00 0.41 0.00 0.00 41.25 41.29 1pus s ASN 111 CO 0.37 0.15 1.75 0.00 -1.51 0.00 0.00 177.10 177.86 1pus h ALA 112 N 6.54 1.00 0.01 0.60 0.00 -1.95 -2.98 119.26 122.48 1pus h ALA 112 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1pus h ALA 112 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pus h ALA 112 CO 0.47 0.00 -0.09 0.22 0.00 0.00 0.00 179.25 179.85 1pus h ASP 113 N 0.00 0.06 0.12 0.00 3.58 -1.94 -3.34 116.42 114.91 1pus h ASP 113 Ca 0.00 -0.92 -0.08 0.00 0.42 0.00 0.00 57.03 56.45 1pus h ASP 113 Cb 0.47 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1pus h ASP 113 CO 0.00 0.98 -0.27 -2.24 -2.88 0.00 0.00 179.24 174.83 1pus h ASP 114 N -0.85 0.25 -3.18 2.28 2.03 -1.77 -3.42 116.42 111.76 1pus h ASP 114 Ca -0.02 -0.08 -0.45 0.00 -0.73 0.00 0.00 57.03 55.76 1pus h ASP 114 Cb 1.00 -0.07 0.07 0.00 -0.83 0.00 0.00 39.33 39.51 1pus h ASP 114 CO 0.02 0.53 0.13 0.72 -1.03 0.00 0.00 179.24 179.60 1pus s PHE 115 N -4.43 2.77 0.06 4.15 -0.71 -1.13 0.13 117.98 118.82 1pus s PHE 115 Ca -0.05 0.22 -0.31 0.00 -1.04 0.00 0.00 56.93 55.75 1pus s PHE 115 Cb 0.14 -3.04 -0.07 0.00 -1.21 0.00 0.00 43.02 38.85 1pus s PHE 115 CO 0.75 -1.26 1.40 -1.25 -1.34 0.00 0.00 175.22 173.52 1pus s PRO 116 N -5.07 4.30 0.31 1.99 0.04 -1.20 -4.25 135.00 131.12 1pus s PRO 116 Ca 0.60 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.89 1pus s PRO 116 Cb -0.10 -3.42 1.13 0.00 0.04 0.00 0.00 34.50 32.14 1pus s PRO 116 CO 0.42 -0.51 1.69 -0.35 0.04 0.00 0.00 177.00 178.30 1pus n PRO 117 N 4.71 0.16 0.00 0.56 -0.04 -1.26 -2.10 135.00 137.03 1pus n PRO 117 Ca 0.12 0.57 0.10 0.00 -0.04 0.00 0.00 63.50 64.25 1pus n PRO 117 Cb 0.43 -1.94 0.43 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.92 -1.85 0.55 0.00 -1.26 -3.12 120.51 114.97 1pus n ALA 118 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1pus n ALA 118 Cb 0.11 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 2.94 0.09 0.00 5.03 -0.89 -4.79 115.26 116.17 1pus n ASN 119 Ca 0.05 -3.69 -0.07 0.00 0.87 0.00 0.00 54.58 51.74 1pus n ASN 119 Cb 0.22 -0.44 0.01 0.00 -1.02 0.00 0.00 39.78 38.55 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 1.52 0.13 -0.71 3.52 5.08 -1.71 -3.15 114.58 119.27 1pus h GLU 120 Ca 0.13 -0.14 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1pus h GLU 120 Cb 1.26 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.45 1pus h GLU 120 CO 0.31 0.90 0.12 -1.35 -1.00 0.00 0.00 179.01 177.99 1pus h PRO 121 N 0.07 0.21 0.01 2.33 0.11 -1.87 1.61 132.00 134.47 1pus h PRO 121 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pus h PRO 121 Cb 1.47 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1pus h PRO 121 CO 0.12 0.14 -0.00 0.28 -0.21 0.00 0.00 178.00 178.33 1pus h VAL 122 N 0.22 1.59 -0.54 3.15 2.07 -1.97 -3.31 116.25 117.46 1pus h VAL 122 Ca 0.39 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1pus h VAL 122 Cb 0.66 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1pus h VAL 122 CO -0.53 0.50 0.36 0.40 0.02 0.00 0.00 177.57 178.32 1pus h ILE 123 N -0.88 1.09 -0.76 4.57 1.08 -1.43 -1.55 117.51 119.64 1pus h ILE 123 Ca -0.00 -0.23 0.14 0.00 -0.39 0.00 0.00 64.86 64.38 1pus h ILE 123 Cb 0.83 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 1pus h ILE 123 CO 0.00 0.12 0.50 0.00 -0.69 0.00 0.00 178.15 178.09 1pus h ALA 124 N 1.68 2.03 0.19 1.87 0.00 0.23 1.58 119.26 126.83 1pus h ALA 124 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pus h ALA 124 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pus h ALA 124 CO -0.05 -0.22 -0.09 0.87 0.00 0.00 0.00 179.25 179.76 1pus h LYS 125 N 0.49 -0.24 0.00 0.00 6.56 -1.38 -3.03 116.57 118.97 1pus h LYS 125 Ca 0.37 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1pus h LYS 125 Cb 0.75 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1pus h LYS 125 CO -0.13 0.11 0.00 1.25 -2.06 0.00 0.00 179.45 178.62 1pus h LEU 126 N -0.64 0.00 -0.46 2.94 6.46 -1.36 -3.26 115.31 118.99 1pus h LEU 126 Ca -0.03 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 1pus h LEU 126 Cb 0.46 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1pus h LEU 126 CO 0.04 0.00 -0.00 0.50 -0.62 0.00 0.00 178.44 178.36 1pus h LYS 127 N 0.00 0.82 0.00 1.25 3.64 0.23 -1.58 116.57 120.92 1pus h LYS 127 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1pus h LYS 127 Cb 0.91 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1pus h LYS 127 CO 0.00 0.87 0.00 -2.13 -2.27 0.00 0.00 179.45 175.92 1pus n ARG 128 N -4.37 0.05 0.00 1.90 0.63 -1.15 -4.84 116.66 108.88 1pus n ARG 128 Ca 0.00 0.23 0.04 0.00 -0.92 0.00 0.00 57.85 57.20 1pus n ARG 128 Cb 0.31 -1.50 0.26 0.00 0.45 0.00 0.00 32.46 31.97 1pus n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59