#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 4.30 -0.01 2.12 2.36 -1.00 -5.03 119.74 122.47 1pus s LYS 2 Ca 0.00 0.59 0.01 0.00 -2.55 0.00 0.00 55.97 54.02 1pus s LYS 2 Cb 0.00 -3.38 0.01 0.00 -1.05 0.00 0.00 37.83 33.40 1pus s LYS 2 CO 0.00 0.28 -0.04 0.21 1.55 0.00 0.00 175.35 177.35 1pus s LYS 3 N 0.17 0.44 -0.09 4.03 2.20 -1.26 -0.68 119.74 124.56 1pus s LYS 3 Ca 0.29 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.71 1pus s LYS 3 Cb -0.17 -0.46 0.03 0.00 -1.51 0.00 0.00 37.83 35.72 1pus s LYS 3 CO 0.14 0.04 0.22 -0.48 -0.36 0.00 0.00 175.35 174.90 1pus s LEU 4 N 0.23 1.01 0.05 5.43 0.05 0.19 -4.88 118.68 120.76 1pus s LEU 4 Ca -0.02 0.45 0.04 0.00 0.05 0.00 0.00 54.13 54.64 1pus s LEU 4 Cb -0.06 0.73 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 1pus s LEU 4 CO -0.00 -0.10 -0.02 -1.10 -0.55 0.00 0.00 176.35 174.58 1pus s GLN 5 N 0.37 2.58 -0.04 1.48 -0.21 -1.26 -1.33 119.66 121.24 1pus s GLN 5 Ca -0.02 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.59 1pus s GLN 5 Cb -0.04 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.45 1pus s GLN 5 CO -0.02 0.57 -0.01 0.42 -2.12 0.00 0.00 175.29 174.14 1pus s ILE 6 N -1.19 0.26 -0.11 1.08 -1.09 0.40 -3.78 121.20 116.77 1pus s ILE 6 Ca 0.22 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1pus s ILE 6 Cb -0.11 -0.35 0.02 0.00 -1.58 0.00 0.00 42.46 40.43 1pus s ILE 6 CO 0.14 0.17 -0.15 0.00 -1.23 0.00 0.00 174.94 173.87 1pus s ALA 7 N 1.13 1.71 0.26 9.38 0.00 -1.11 0.41 121.76 133.54 1pus s ALA 7 Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.21 1pus s ALA 7 Cb -0.14 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1pus s ALA 7 CO -0.02 -0.11 -0.12 0.14 0.00 0.00 0.00 175.76 175.66 1pus s VAL 8 N 1.04 1.92 -0.20 0.00 -7.23 0.41 -3.80 120.40 112.53 1pus s VAL 8 Ca -0.05 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 57.85 1pus s VAL 8 Cb -0.15 -2.32 0.10 0.00 0.56 0.00 0.00 36.38 34.58 1pus s VAL 8 CO -0.03 -0.40 0.37 -0.83 -0.31 0.00 0.00 175.10 173.90 1pus s GLY 9 N -3.44 -0.32 -0.50 2.32 0.00 -1.22 0.27 107.32 104.43 1pus s GLY 9 Ca 0.28 1.15 -0.27 0.00 0.00 0.00 0.00 44.72 45.87 1pus s GLY 9 CO 0.11 2.41 1.74 -0.42 0.00 0.00 0.00 173.10 176.95 1pus s ILE 10 N 2.55 3.50 -0.10 0.90 1.09 -1.07 -4.67 121.20 123.39 1pus s ILE 10 Ca 0.04 0.41 -0.30 0.00 -1.10 0.00 0.00 60.65 59.71 1pus s ILE 10 Cb -0.13 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.29 1pus s ILE 10 CO -0.13 -0.78 1.46 -0.63 -0.10 0.00 0.00 174.94 174.75 1pus s ILE 11 N 7.69 3.90 -0.24 2.92 1.01 -1.26 -2.61 121.20 132.61 1pus s ILE 11 Ca 0.68 1.11 -0.27 0.00 0.00 0.00 0.00 60.65 62.18 1pus s ILE 11 Cb -0.15 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1pus s ILE 11 CO 0.26 -0.09 0.94 -0.13 0.00 0.00 0.00 174.94 175.92 1pus s ARG 12 N 3.64 4.20 1.04 2.79 1.81 -1.23 -3.40 118.95 127.80 1pus s ARG 12 Ca 0.64 1.12 -0.18 0.00 -1.72 0.00 0.00 55.73 55.60 1pus s ARG 12 Cb -0.28 -3.65 0.24 0.00 -0.45 0.00 0.00 34.95 30.81 1pus s ARG 12 CO 0.23 -0.60 1.32 1.21 -0.68 0.00 0.00 175.30 176.77 1pus s ASN 13 N 1.31 2.39 0.00 0.23 3.84 0.58 -3.16 114.94 120.13 1pus s ASN 13 Ca 0.39 0.20 0.23 0.00 0.21 0.00 0.00 52.86 53.89 1pus s ASN 13 Cb -0.15 -0.17 1.34 0.00 -0.55 0.00 0.00 41.25 41.72 1pus s ASN 13 CO 0.07 -3.18 1.76 1.21 -2.79 0.00 0.00 177.10 174.17 1pus n GLU 14 N -4.05 0.81 -2.80 0.43 2.13 -1.26 -3.70 120.64 112.19 1pus n GLU 14 Ca 0.17 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 1pus n GLU 14 Cb 0.59 -1.44 0.01 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 -0.94 1.30 -2.10 4.31 2.85 -1.26 -4.95 115.26 114.48 1pus n ASN 15 Ca 0.17 -2.79 -0.06 0.00 -0.11 0.00 0.00 54.58 51.79 1pus n ASN 15 Cb 0.08 -0.55 -0.01 0.00 1.24 0.00 0.00 39.78 40.54 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1pus n ASN 16 N 0.02 -2.13 -4.54 1.20 6.94 -1.24 -4.90 115.26 110.61 1pus n ASN 16 Ca 0.13 0.30 -0.24 0.00 -0.02 0.00 0.00 54.58 54.75 1pus n ASN 16 Cb 0.78 -1.98 -0.09 0.00 -2.36 0.00 0.00 39.78 36.12 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1pus s GLU 17 N -4.29 1.91 0.01 -3.83 -1.05 -1.26 -4.48 118.70 105.71 1pus s GLU 17 Ca 0.00 -1.66 0.01 0.00 -0.15 0.00 0.00 54.97 53.17 1pus s GLU 17 Cb 0.00 -1.91 -0.01 0.00 -0.44 0.00 0.00 34.13 31.78 1pus s GLU 17 CO 0.00 0.32 -0.05 0.42 0.95 0.00 0.00 175.26 176.90 1pus s ILE 18 N -2.46 0.36 -0.29 1.83 1.09 0.34 0.22 121.20 122.28 1pus s ILE 18 Ca 0.31 -0.38 -0.19 0.00 -1.10 0.00 0.00 60.65 59.29 1pus s ILE 18 Cb -0.05 -0.34 -0.02 0.00 -1.06 0.00 0.00 42.46 41.00 1pus s ILE 18 CO 0.17 -0.02 0.56 0.12 -0.10 0.00 0.00 174.94 175.67 1pus s PHE 19 N -0.40 3.23 -0.08 3.97 2.19 -1.22 -2.01 117.98 123.67 1pus s PHE 19 Ca -0.01 0.55 0.00 0.00 0.33 0.00 0.00 56.93 57.80 1pus s PHE 19 Cb -0.04 -2.86 -0.03 0.00 -1.31 0.00 0.00 43.02 38.79 1pus s PHE 19 CO -0.00 -0.40 -0.07 0.42 1.83 0.00 0.00 175.22 177.00 1pus s ILE 20 N 2.44 3.67 -0.44 3.12 -1.09 -1.25 -4.51 121.20 123.14 1pus s ILE 20 Ca 0.22 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.89 1pus s ILE 20 Cb -0.15 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1pus s ILE 20 CO 0.11 0.58 1.00 0.42 -1.23 0.00 0.00 174.94 175.82 1pus s THR 21 N -0.63 4.42 0.45 2.92 -4.23 0.12 -4.32 115.64 114.38 1pus s THR 21 Ca 0.09 1.04 0.08 0.00 -1.18 0.00 0.00 61.69 61.72 1pus s THR 21 Cb -0.12 -4.46 0.01 0.00 1.34 0.00 0.00 72.50 69.27 1pus s THR 21 CO 0.02 -0.80 0.49 0.00 -0.54 0.00 0.00 174.62 173.79 1pus s ARG 22 N 3.89 2.55 0.00 3.99 1.70 -1.25 -1.27 118.95 128.56 1pus s ARG 22 Ca 0.41 -1.53 0.10 0.00 -0.47 0.00 0.00 55.73 54.24 1pus s ARG 22 Cb -0.10 -2.49 0.49 0.00 -0.57 0.00 0.00 34.95 32.29 1pus s ARG 22 CO 0.26 -0.36 1.27 0.54 -1.08 0.00 0.00 175.30 175.93 1pus n ARG 23 N -1.75 0.08 -0.98 3.89 5.12 -1.26 -4.62 116.66 117.14 1pus n ARG 23 Ca 0.06 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1pus n ARG 23 Cb 0.61 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.38 0.00 -2.72 7.54 0.00 -1.26 -3.73 120.51 118.97 1pus n ALA 24 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1pus n ALA 24 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.82 -3.01 0.00 0.00 -1.26 -4.90 120.51 111.52 1pus n ALA 25 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 1pus n ALA 25 Cb 0.01 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.90 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 -2.13 -1.11 0.02 0.00 5.68 -1.24 -4.95 116.55 112.82 1pus n ASP 26 Ca -0.15 -2.94 0.00 0.00 -0.50 0.00 0.00 54.79 51.19 1pus n ASP 26 Cb 0.63 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pus n ALA 27 N 1.52 0.00 0.00 2.12 0.00 -1.26 -5.06 120.51 117.82 1pus n ALA 27 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pus n ALA 27 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1pus n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pus n HIS 28 N -2.35 -0.28 -3.90 0.00 1.44 -1.26 -5.06 115.22 103.81 1pus n HIS 28 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1pus n HIS 28 Cb 0.00 0.06 -0.13 0.00 0.12 0.00 0.00 29.99 30.03 1pus n HIS 28 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1pus s MET 29 N -1.24 1.98 0.00 -1.40 -1.94 -1.26 -4.92 119.30 110.51 1pus s MET 29 Ca 0.00 -2.69 0.15 0.00 -1.71 0.00 0.00 55.69 51.44 1pus s MET 29 Cb 0.00 -3.20 0.70 0.00 2.01 0.00 0.00 34.83 34.34 1pus s MET 29 CO 0.00 -1.16 1.48 0.00 -0.01 0.00 0.00 175.02 175.34 1pus n ALA 30 N 2.92 1.75 -0.25 3.03 0.00 -1.26 -3.05 120.51 123.65 1pus n ALA 30 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1pus n ALA 30 Cb 0.33 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 3.76 -0.88 0.00 5.03 -1.26 -4.10 115.26 116.38 1pus n ASN 31 Ca 0.05 -2.87 0.02 0.00 0.87 0.00 0.00 54.58 52.64 1pus n ASN 31 Cb 0.16 -0.72 0.21 0.00 -1.02 0.00 0.00 39.78 38.41 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 -0.29 2.01 -1.54 3.52 5.02 -0.98 -3.24 118.16 122.65 1pus n LYS 32 Ca 0.32 -3.03 -0.16 0.00 -2.02 0.00 0.00 58.31 53.41 1pus n LYS 32 Cb 1.05 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.72 0.00 -0.35 0.00 -0.68 -4.18 117.00 111.49 1pus n LEU 33 Ca 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 56.01 55.05 1pus n LEU 33 Cb 0.91 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 43.03 1pus n LEU 33 CO 0.13 -2.28 0.00 1.21 0.00 0.00 0.00 177.39 176.45 1pus n GLU 34 N 7.71 2.01 -4.56 1.96 2.13 -0.40 -3.92 120.64 125.57 1pus n GLU 34 Ca 0.53 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.09 1pus n GLU 34 Cb 0.34 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.94 1pus n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1pus s PHE 35 N 0.01 2.41 1.09 4.31 -0.12 -1.25 0.11 117.98 124.54 1pus s PHE 35 Ca 0.00 -0.56 -0.12 0.00 -0.05 0.00 0.00 56.93 56.20 1pus s PHE 35 Cb 0.00 -1.47 0.24 0.00 -0.63 0.00 0.00 43.02 41.16 1pus s PHE 35 CO 0.00 0.53 1.06 -1.25 -0.05 0.00 0.00 175.22 175.51 1pus s PRO 36 N -3.64 -0.35 0.00 1.99 0.04 -1.26 -4.76 135.00 127.02 1pus s PRO 36 Ca 0.33 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1pus s PRO 36 Cb 0.04 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1pus s PRO 36 CO 0.17 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.29 1pus n GLY 37 N 0.15 0.83 2.73 0.56 0.00 -1.25 -3.39 105.19 104.82 1pus n GLY 37 Ca 0.04 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 0.65 0.00 -0.02 0.00 -1.25 -2.74 107.32 102.25 1pus s GLY 38 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1pus s GLY 38 CO 0.00 1.43 0.00 1.17 0.00 0.00 0.00 173.10 175.70 1pus n LYS 39 N 5.08 0.00 -0.32 2.90 4.81 -1.26 -5.01 118.16 124.36 1pus n LYS 39 Ca -0.09 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.43 1pus n LYS 39 Cb 0.48 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.71 1pus n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1pus h ILE 40 N 0.00 0.11 0.00 3.15 2.10 -1.84 -3.06 117.51 117.97 1pus h ILE 40 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1pus h ILE 40 Cb 0.00 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.82 1pus h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.23 1pus n GLU 41 N -5.51 0.00 0.00 2.19 0.28 -1.25 -4.41 120.64 111.95 1pus n GLU 41 Ca 0.17 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1pus n GLU 41 Cb 0.56 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.70 0.00 -0.42 3.44 2.81 -1.16 -2.94 117.12 118.14 1pus n MET 42 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1pus n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1pus n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pus n GLY 43 N 0.00 0.27 0.00 3.03 0.00 -1.26 -5.13 105.19 102.11 1pus n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.91 -4.14 1.61 4.71 -1.15 -5.09 120.64 117.49 1pus n GLU 44 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.85 1pus n GLU 44 Cb 0.32 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.69 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 -0.05 4.18 0.61 2.62 2.01 -1.26 -4.79 115.64 118.95 1pus s THR 45 Ca 0.00 -1.30 0.25 0.00 0.31 0.00 0.00 61.69 60.96 1pus s THR 45 Cb 0.00 -3.15 0.36 0.00 0.01 0.00 0.00 72.50 69.71 1pus s THR 45 CO 0.00 -0.17 1.46 1.55 -0.69 0.00 0.00 174.62 176.77 1pus h PRO 46 N 2.30 0.00 0.00 4.92 0.13 -1.98 1.65 132.00 139.02 1pus h PRO 46 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1pus h PRO 46 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1pus h PRO 46 CO 0.61 0.00 -1.48 0.39 -0.23 0.00 0.00 178.00 177.29 1pus n GLU 47 N -3.29 0.54 0.00 0.86 -0.58 -1.26 -4.43 120.64 112.49 1pus n GLU 47 Ca 0.17 0.39 0.15 0.00 -0.42 0.00 0.00 57.16 57.44 1pus n GLU 47 Cb 1.22 -1.59 0.76 0.00 -0.57 0.00 0.00 31.44 31.26 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 -4.41 0.49 0.30 3.49 6.02 -0.60 -3.15 117.38 119.50 1pus n GLN 48 Ca -0.31 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.51 1pus n GLN 48 Cb 0.64 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.32 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pus h ALA 49 N 3.48 -0.76 0.08 -1.58 0.00 0.22 -1.83 119.26 118.86 1pus h ALA 49 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1pus h ALA 49 Cb 0.27 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pus h ALA 49 CO 0.00 -0.81 -0.56 -0.24 0.00 0.00 0.00 179.25 177.64 1pus h VAL 50 N -1.01 1.57 -0.98 0.00 3.04 -1.78 -2.48 116.25 114.59 1pus h VAL 50 Ca -0.08 -2.38 0.21 0.00 -1.01 0.00 0.00 66.70 63.44 1pus h VAL 50 Cb 0.65 3.12 -0.09 0.00 -2.01 0.00 0.00 31.29 32.96 1pus h VAL 50 CO 0.13 0.66 0.62 0.58 -1.01 0.00 0.00 177.57 178.55 1pus h VAL 51 N -0.48 0.65 0.02 1.51 2.07 -1.67 1.41 116.25 119.76 1pus h VAL 51 Ca -0.09 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1pus h VAL 51 Cb 1.40 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1pus h VAL 51 CO 0.11 0.11 -0.17 -0.09 0.02 0.00 0.00 177.57 177.54 1pus h ARG 52 N 0.58 0.08 0.00 1.57 1.12 -1.41 -3.28 114.38 113.04 1pus h ARG 52 Ca 0.55 -0.12 -0.02 0.00 -1.11 0.00 0.00 59.98 59.29 1pus h ARG 52 Cb 1.12 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 31.12 1pus h ARG 52 CO -0.31 0.99 -0.11 1.49 -3.11 0.00 0.00 179.97 178.92 1pus h GLU 53 N -0.77 0.00 -0.67 0.20 4.57 -0.82 -2.67 114.58 114.42 1pus h GLU 53 Ca -0.03 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1pus h GLU 53 Cb 1.06 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 1pus h GLU 53 CO 0.03 0.11 0.34 1.25 -1.18 0.00 0.00 179.01 179.56 1pus h LEU 54 N 0.00 0.45 -1.72 1.64 5.85 0.18 0.42 115.31 122.14 1pus h LEU 54 Ca -0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1pus h LEU 54 Cb 0.28 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1pus h LEU 54 CO 0.01 0.27 0.09 1.56 -0.34 0.00 0.00 178.44 180.04 1pus h GLN 55 N 0.60 0.27 0.00 1.25 7.50 -1.60 1.25 115.11 124.38 1pus h GLN 55 Ca 0.32 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.35 1pus h GLN 55 Cb 0.31 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1pus h GLN 55 CO -0.24 0.22 -0.48 1.49 -1.50 0.00 0.00 178.83 178.32 1pus h GLU 56 N 0.28 0.00 -0.23 1.46 4.22 -0.60 0.41 114.58 120.12 1pus h GLU 56 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1pus h GLU 56 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pus h GLU 56 CO -0.01 0.48 0.00 0.39 -2.18 0.00 0.00 179.01 177.69 1pus n GLU 57 N -3.32 1.92 0.00 1.92 -0.58 0.11 0.21 120.64 120.90 1pus n GLU 57 Ca 0.01 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1pus n GLU 57 Cb 0.67 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.78 0.00 0.00 2.62 0.31 0.41 -4.32 118.33 118.13 1pus n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1pus n VAL 58 Cb 0.41 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1pus n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pus n GLY 59 N 1.96 0.38 2.92 2.92 0.00 0.14 0.95 105.19 114.46 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 -3.75 -0.61 -5.35 -1.26 -4.83 119.36 103.56 1pus n ILE 60 Ca 0.00 -0.67 -0.35 0.00 -0.27 0.00 0.00 62.75 61.46 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 -3.08 3.61 0.07 7.28 -4.23 -1.26 -4.96 115.64 113.06 1pus s THR 61 Ca 0.57 -3.20 0.06 0.00 -1.18 0.00 0.00 61.69 57.94 1pus s THR 61 Cb -0.02 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 1pus s THR 61 CO 0.41 -0.90 -0.10 -2.16 -0.54 0.00 0.00 174.62 171.33 1pus s PRO 62 N -0.34 2.26 -1.24 3.99 0.04 -1.26 -3.22 135.00 135.23 1pus s PRO 62 Ca 0.19 -0.92 -0.20 0.00 0.04 0.00 0.00 61.00 60.10 1pus s PRO 62 Cb -0.19 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1pus s PRO 62 CO -0.05 0.54 1.84 -0.65 0.04 0.00 0.00 177.00 178.73 1pus s GLN 63 N -1.88 3.21 -0.10 4.56 -0.21 -0.56 -4.84 119.66 119.84 1pus s GLN 63 Ca 0.19 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 54.02 1pus s GLN 63 Cb -0.11 -5.39 0.01 0.00 1.00 0.00 0.00 33.01 28.52 1pus s GLN 63 CO 0.11 -3.16 -0.20 -1.58 -2.12 0.00 0.00 175.29 168.34 1pus s HIS 64 N 7.77 2.29 0.00 0.91 5.65 -1.23 -0.26 115.29 130.42 1pus s HIS 64 Ca 0.61 -1.00 0.00 0.00 0.25 0.00 0.00 55.06 54.92 1pus s HIS 64 Cb 0.02 -1.57 0.00 0.00 -1.18 0.00 0.00 32.58 29.84 1pus s HIS 64 CO 0.11 -0.45 0.00 0.34 -0.65 0.00 0.00 174.74 174.09 1pus n PHE 65 N 3.81 0.00 -0.09 3.88 7.35 -1.26 -4.95 117.46 126.20 1pus n PHE 65 Ca -0.20 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.50 1pus n PHE 65 Cb 0.52 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.35 1pus n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pus n SER 66 N 0.00 -0.50 -4.14 -2.13 2.88 -1.26 -3.96 113.62 104.51 1pus n SER 66 Ca 0.00 0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 57.33 1pus n SER 66 Cb 0.00 -0.31 -0.17 0.00 -0.75 0.00 0.00 64.21 62.99 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 -4.47 1.90 -0.01 2.46 0.05 -1.26 0.74 118.68 118.09 1pus s LEU 67 Ca 0.00 -0.46 -0.20 0.00 0.05 0.00 0.00 54.13 53.52 1pus s LEU 67 Cb 0.00 -1.18 -0.25 0.00 -2.05 0.00 0.00 46.19 42.70 1pus s LEU 67 CO 0.00 0.10 1.06 2.19 -0.55 0.00 0.00 176.35 179.14 1pus h PHE 68 N 6.90 0.60 -1.43 3.48 -0.00 -1.69 -3.42 116.94 121.39 1pus h PHE 68 Ca -0.25 -0.35 0.13 0.00 -0.00 0.00 0.00 57.97 57.50 1pus h PHE 68 Cb 1.21 -0.06 -0.28 0.00 -0.00 0.00 0.00 35.95 36.82 1pus h PHE 68 CO 0.48 1.19 0.49 -1.21 -0.00 0.00 0.00 178.31 179.25 1pus s GLU 69 N -3.04 0.31 -0.14 6.09 2.02 -1.14 -5.01 118.70 117.79 1pus s GLU 69 Ca -0.13 0.51 -0.03 0.00 0.02 0.00 0.00 54.97 55.33 1pus s GLU 69 Cb 0.03 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 1pus s GLU 69 CO 0.83 -0.06 -0.03 -1.59 0.02 0.00 0.00 175.26 174.43 1pus s LYS 70 N 1.09 3.53 -0.09 1.61 -2.85 -1.26 -2.99 119.74 118.77 1pus s LYS 70 Ca -0.07 -0.49 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1pus s LYS 70 Cb -0.04 -2.89 -0.03 0.00 -2.06 0.00 0.00 37.83 32.81 1pus s LYS 70 CO -0.13 0.34 -0.05 -1.17 0.10 0.00 0.00 175.35 174.45 1pus s LEU 71 N 0.09 3.27 -0.20 2.77 2.96 0.53 -4.96 118.68 123.14 1pus s LEU 71 Ca 0.00 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1pus s LEU 71 Cb -0.13 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.88 1pus s LEU 71 CO 0.03 0.32 0.03 -0.70 -1.32 0.00 0.00 176.35 174.70 1pus s GLU 72 N -0.54 0.76 0.00 1.98 2.12 -1.26 -1.30 118.70 120.46 1pus s GLU 72 Ca 0.08 -0.49 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 1pus s GLU 72 Cb -0.12 -2.17 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 1pus s GLU 72 CO 0.02 -0.64 0.02 1.52 -0.54 0.00 0.00 175.26 175.65 1pus s TYR 73 N 1.81 0.11 -0.07 5.30 1.13 -1.22 -5.02 117.35 119.39 1pus s TYR 73 Ca -0.02 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.47 1pus s TYR 73 Cb -0.17 -0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1pus s TYR 73 CO -0.08 -0.14 -0.23 -1.83 -2.51 0.00 0.00 175.55 170.76 1pus s GLU 74 N -0.90 2.52 0.41 -3.49 -1.05 -1.26 -2.49 118.70 112.44 1pus s GLU 74 Ca -0.10 -0.84 0.01 0.00 -0.15 0.00 0.00 54.97 53.89 1pus s GLU 74 Cb -0.06 -2.08 -0.01 0.00 -0.44 0.00 0.00 34.13 31.54 1pus s GLU 74 CO -0.00 0.31 0.62 -0.06 0.95 0.00 0.00 175.26 177.08 1pus s PHE 75 N 0.00 3.30 -0.79 4.83 0.08 0.34 -4.91 117.98 120.83 1pus s PHE 75 Ca -0.07 0.24 -0.20 0.00 0.12 0.00 0.00 56.93 57.02 1pus s PHE 75 Cb -0.14 -2.17 -0.18 0.00 -0.57 0.00 0.00 43.02 39.96 1pus s PHE 75 CO 0.05 -0.20 1.92 -0.35 -0.10 0.00 0.00 175.22 176.54 1pus n PRO 76 N -1.97 0.14 -0.33 0.24 -0.04 -1.26 0.10 135.00 131.89 1pus n PRO 76 Ca -0.01 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1pus n PRO 76 Cb 0.57 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 15.41 -0.83 -3.56 3.54 2.03 -1.26 -5.03 116.55 126.85 1pus n ASP 77 Ca 0.35 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.37 1pus n ASP 77 Cb 0.45 -0.14 -0.13 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.67 0.59 -0.80 -0.67 3.52 0.12 -2.38 118.95 118.65 1pus s ARG 78 Ca 0.00 -1.19 -0.25 0.00 -0.13 0.00 0.00 55.73 54.17 1pus s ARG 78 Cb 0.00 -1.51 0.05 0.00 -1.56 0.00 0.00 34.95 31.93 1pus s ARG 78 CO 0.00 -1.12 1.25 -1.58 -0.81 0.00 0.00 175.30 173.04 1pus s HIS 79 N 1.31 2.47 -0.39 5.12 5.65 0.15 0.13 115.29 129.72 1pus s HIS 79 Ca 0.14 -0.42 -0.15 0.00 0.25 0.00 0.00 55.06 54.89 1pus s HIS 79 Cb -0.21 -4.56 0.01 0.00 -1.18 0.00 0.00 32.58 26.64 1pus s HIS 79 CO -0.12 -1.93 0.33 -1.50 -0.65 0.00 0.00 174.74 170.87 1pus s ILE 80 N 5.06 5.21 -0.29 0.89 2.07 -1.04 0.53 121.20 133.63 1pus s ILE 80 Ca 0.35 -0.40 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 1pus s ILE 80 Cb -0.08 -3.90 -0.03 0.00 0.13 0.00 0.00 42.46 38.58 1pus s ILE 80 CO 0.07 -0.26 0.33 0.42 -1.91 0.00 0.00 174.94 173.59 1pus s THR 81 N 1.85 5.20 -0.31 4.00 -4.23 -0.44 -3.38 115.64 118.32 1pus s THR 81 Ca 0.08 0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1pus s THR 81 Cb -0.18 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.97 1pus s THR 81 CO 0.11 0.11 0.13 -0.76 -0.54 0.00 0.00 174.62 173.67 1pus s LEU 82 N 1.99 4.08 -0.23 4.79 1.43 -0.42 0.15 118.68 130.47 1pus s LEU 82 Ca 0.12 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1pus s LEU 82 Cb -0.16 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1pus s LEU 82 CO 0.11 -0.22 0.05 0.26 0.23 0.00 0.00 176.35 176.77 1pus s TRP 83 N 1.55 3.08 -0.32 0.29 0.51 0.16 -0.34 118.94 123.88 1pus s TRP 83 Ca 0.03 -0.40 -0.03 0.00 -2.12 0.00 0.00 56.10 53.58 1pus s TRP 83 Cb -0.17 -2.18 0.05 0.00 -0.81 0.00 0.00 33.47 30.36 1pus s TRP 83 CO 0.05 -0.29 0.04 -0.06 -0.51 0.00 0.00 176.95 176.18 1pus s PHE 84 N 1.33 3.27 0.13 -1.98 0.40 -1.16 0.16 117.98 120.12 1pus s PHE 84 Ca 0.05 -1.73 -0.07 0.00 -0.60 0.00 0.00 56.93 54.58 1pus s PHE 84 Cb -0.15 -2.19 -0.06 0.00 0.51 0.00 0.00 43.02 41.14 1pus s PHE 84 CO 0.03 -0.78 0.40 -1.58 0.70 0.00 0.00 175.22 173.98 1pus s TRP 85 N 1.30 3.50 -0.50 0.36 0.52 0.14 -2.32 118.94 121.94 1pus s TRP 85 Ca -0.04 0.65 -0.16 0.00 0.02 0.00 0.00 56.10 56.58 1pus s TRP 85 Cb -0.20 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.15 1pus s TRP 85 CO 0.00 0.45 0.44 -1.17 0.02 0.00 0.00 176.95 176.69 1pus s LEU 86 N -2.44 5.86 0.29 2.99 2.96 0.23 -2.60 118.68 125.97 1pus s LEU 86 Ca 0.39 -1.53 -0.21 0.00 -0.22 0.00 0.00 54.13 52.56 1pus s LEU 86 Cb -0.13 -2.19 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 1pus s LEU 86 CO 0.22 -0.74 0.82 -0.69 -1.32 0.00 0.00 176.35 174.64 1pus s VAL 87 N 1.62 4.45 -0.03 1.68 1.01 -1.07 -3.98 120.40 124.08 1pus s VAL 87 Ca 0.04 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.51 1pus s VAL 87 Cb -0.27 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 1pus s VAL 87 CO 0.05 0.07 0.11 -1.84 0.00 0.00 0.00 175.10 173.49 1pus n GLU 88 N 0.37 1.17 -3.56 2.72 0.00 -1.14 -3.55 120.64 116.66 1pus n GLU 88 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 57.16 57.04 1pus n GLU 88 Cb 0.51 -1.17 -0.02 0.00 0.00 0.00 0.00 31.44 30.77 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1pus s ARG 89 N -2.38 1.22 -0.25 3.44 3.52 0.64 -4.57 118.95 120.57 1pus s ARG 89 Ca -0.03 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.92 1pus s ARG 89 Cb 0.04 0.51 0.09 0.00 -1.56 0.00 0.00 34.95 34.03 1pus s ARG 89 CO 0.29 -0.54 0.58 1.67 -0.81 0.00 0.00 175.30 176.49 1pus s TRP 90 N -3.54 -1.03 0.51 5.12 -2.14 -1.21 -1.49 118.94 115.16 1pus s TRP 90 Ca 0.05 1.96 -0.19 0.00 2.66 0.00 0.00 56.10 60.58 1pus s TRP 90 Cb -0.02 0.57 -0.07 0.00 -3.10 0.00 0.00 33.47 30.85 1pus s TRP 90 CO -0.07 -0.53 1.03 -1.21 -2.66 0.00 0.00 176.95 173.51 1pus s GLU 91 N 2.16 3.74 4.90 3.25 2.02 -1.20 -4.83 118.70 128.74 1pus s GLU 91 Ca -0.07 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1pus s GLU 91 Cb -0.09 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1pus s GLU 91 CO -0.17 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1pus n GLY 92 N -0.68 3.01 3.37 -1.39 0.00 -1.26 -4.58 105.19 103.66 1pus n GLY 92 Ca 0.08 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1pus n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pus s GLU 93 N 0.00 1.65 0.01 1.61 2.12 -1.26 -5.11 118.70 117.71 1pus s GLU 93 Ca 0.00 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 1pus s GLU 93 Cb 0.00 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 1pus s GLU 93 CO 0.00 0.49 1.11 -2.14 -0.54 0.00 0.00 175.26 174.18 1pus s PRO 94 N -1.62 4.46 0.25 4.30 0.02 -1.26 -4.64 135.00 136.50 1pus s PRO 94 Ca 0.13 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1pus s PRO 94 Cb -0.10 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1pus s PRO 94 CO 0.04 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.81 1pus n TRP 95 N 4.21 -2.07 0.00 6.54 4.27 -0.23 -4.94 117.44 125.22 1pus n TRP 95 Ca 0.08 0.37 0.00 0.00 -3.89 0.00 0.00 57.50 54.06 1pus n TRP 95 Cb 0.48 0.50 0.00 0.00 -1.36 0.00 0.00 31.31 30.93 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 1.79 0.41 0.00 -1.67 0.00 0.27 -3.80 105.19 102.19 1pus n GLY 96 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1pus n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pus n LYS 97 N 0.00 0.00 -0.00 1.61 4.76 0.56 -4.57 118.16 120.52 1pus n LYS 97 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1pus n LYS 97 Cb 0.00 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.44 1pus n LYS 97 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1pus h GLU 98 N 0.00 0.52 0.00 1.97 3.07 -1.66 -3.46 114.58 115.02 1pus h GLU 98 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1pus h GLU 98 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1pus h GLU 98 CO 0.00 0.62 0.00 0.41 -1.40 0.00 0.00 179.01 178.64 1pus n GLY 99 N -0.67 0.85 2.48 -3.84 0.00 -1.26 -5.01 105.19 97.74 1pus n GLY 99 Ca 0.01 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.90 0.47 0.07 1.61 1.11 -1.26 -5.12 119.66 115.64 1pus s GLN 100 Ca 0.00 -1.14 -0.37 0.00 0.01 0.00 0.00 55.36 53.86 1pus s GLN 100 Cb 0.00 -1.25 -0.18 0.00 -1.01 0.00 0.00 33.01 30.57 1pus s GLN 100 CO 0.00 -1.17 1.10 -2.30 0.01 0.00 0.00 175.29 172.93 1pus n PRO 101 N 4.30 0.52 -4.41 2.91 -0.02 -1.26 -4.47 135.00 132.57 1pus n PRO 101 Ca 0.08 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.53 1pus n PRO 101 Cb 0.38 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.03 2.37 0.06 -1.23 0.00 -1.26 -4.08 107.32 103.20 1pus s GLY 102 Ca 0.83 -1.60 -0.07 0.00 0.00 0.00 0.00 44.72 43.88 1pus s GLY 102 CO 0.53 -1.67 0.14 -1.83 0.00 0.00 0.00 173.10 170.27 1pus s GLU 103 N -3.69 0.71 -0.44 2.90 1.03 -1.26 -5.01 118.70 112.93 1pus s GLU 103 Ca 0.31 -0.85 -0.28 0.00 0.03 0.00 0.00 54.97 54.19 1pus s GLU 103 Cb 0.03 0.28 -0.01 0.00 -0.80 0.00 0.00 34.13 33.63 1pus s GLU 103 CO 0.18 -0.20 1.73 -1.58 -1.33 0.00 0.00 175.26 174.07 1pus s TRP 104 N -3.19 1.89 0.32 4.83 0.51 -1.26 -3.84 118.94 118.20 1pus s TRP 104 Ca -0.00 0.67 0.10 0.00 -2.12 0.00 0.00 56.10 54.76 1pus s TRP 104 Cb 0.02 -4.16 -0.06 0.00 -0.81 0.00 0.00 33.47 28.46 1pus s TRP 104 CO -0.07 -2.54 -0.13 -1.64 -0.51 0.00 0.00 176.95 172.06 1pus s MET 105 N 5.95 1.77 -0.33 4.98 -1.94 -0.85 -4.91 119.30 123.97 1pus s MET 105 Ca 0.71 -1.88 -0.29 0.00 -1.71 0.00 0.00 55.69 52.52 1pus s MET 105 Cb -0.17 -1.73 0.01 0.00 2.01 0.00 0.00 34.83 34.95 1pus s MET 105 CO 0.29 0.21 1.21 0.45 -0.01 0.00 0.00 175.02 177.17 1pus s SER 106 N -3.58 6.75 0.44 3.03 0.15 -1.26 0.12 113.70 119.35 1pus s SER 106 Ca 0.32 1.06 0.23 0.00 0.70 0.00 0.00 55.95 58.26 1pus s SER 106 Cb -0.00 -2.54 0.34 0.00 -1.71 0.00 0.00 66.02 62.11 1pus s SER 106 CO 0.16 -1.04 1.61 0.25 1.20 0.00 0.00 173.24 175.42 1pus h LEU 107 N 10.67 0.00 -1.95 3.45 7.12 -1.79 -3.27 115.31 129.55 1pus h LEU 107 Ca -0.24 -0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.78 1pus h LEU 107 Cb 1.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1pus h LEU 107 CO 1.05 0.00 0.36 1.62 -0.13 0.00 0.00 178.44 181.34 1pus h VAL 108 N 0.00 0.03 -0.92 1.05 3.04 -1.90 -1.51 116.25 116.04 1pus h VAL 108 Ca 0.00 0.00 -0.46 0.00 -1.01 0.00 0.00 66.70 65.23 1pus h VAL 108 Cb 1.00 0.65 -0.42 0.00 -2.01 0.00 0.00 31.29 30.51 1pus h VAL 108 CO 0.00 0.00 -0.93 0.61 -1.01 0.00 0.00 177.57 176.24 1pus n GLY 109 N -1.25 4.39 3.74 3.17 0.00 -1.23 -5.04 105.19 108.97 1pus n GLY 109 Ca -0.01 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.55 3.61 -0.09 0.99 0.20 -0.57 -5.02 118.68 114.25 1pus s LEU 110 Ca 0.41 2.51 0.04 0.00 0.69 0.00 0.00 54.13 57.77 1pus s LEU 110 Cb 0.40 -4.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.55 1pus s LEU 110 CO -0.04 -1.82 -0.21 0.20 -0.29 0.00 0.00 176.35 174.19 1pus s ASN 111 N -1.50 2.71 0.27 3.68 -0.87 -1.26 -4.99 114.94 112.98 1pus s ASN 111 Ca 0.80 -0.48 0.25 0.00 -1.57 0.00 0.00 52.86 51.86 1pus s ASN 111 Cb -0.34 -1.19 0.97 0.00 -0.02 0.00 0.00 41.25 40.66 1pus s ASN 111 CO 0.37 0.13 1.74 0.00 -2.57 0.00 0.00 177.10 176.77 1pus h ALA 112 N 6.72 1.00 0.01 0.60 0.00 -1.95 -2.93 119.26 122.71 1pus h ALA 112 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1pus h ALA 112 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pus h ALA 112 CO 0.47 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.84 1pus h ASP 113 N 0.00 0.07 -0.33 0.00 1.82 -1.95 -3.35 116.42 112.67 1pus h ASP 113 Ca 0.00 -0.92 -0.10 0.00 -0.39 0.00 0.00 57.03 55.61 1pus h ASP 113 Cb 0.46 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1pus h ASP 113 CO 0.00 0.98 -0.15 -2.24 -1.61 0.00 0.00 179.24 176.22 1pus h ASP 114 N -0.84 0.78 -4.20 2.28 2.03 -1.85 -3.44 116.42 111.17 1pus h ASP 114 Ca -0.02 -0.25 -0.46 0.00 -0.73 0.00 0.00 57.03 55.57 1pus h ASP 114 Cb 1.01 -0.21 0.13 0.00 -0.83 0.00 0.00 39.33 39.43 1pus h ASP 114 CO 0.02 0.94 0.39 0.72 -1.03 0.00 0.00 179.24 180.29 1pus s PHE 115 N -4.73 2.27 0.05 4.15 -0.71 -1.11 -1.69 117.98 116.21 1pus s PHE 115 Ca -0.09 0.49 -0.31 0.00 -1.04 0.00 0.00 56.93 55.98 1pus s PHE 115 Cb 0.13 -3.75 -0.06 0.00 -1.21 0.00 0.00 43.02 38.13 1pus s PHE 115 CO 0.83 -2.16 1.34 -1.25 -1.34 0.00 0.00 175.22 172.64 1pus s PRO 116 N -5.69 4.33 0.31 1.99 0.04 -1.20 -4.62 135.00 130.16 1pus s PRO 116 Ca 0.68 1.94 0.23 0.00 0.04 0.00 0.00 61.00 63.88 1pus s PRO 116 Cb -0.07 -3.42 1.14 0.00 0.04 0.00 0.00 34.50 32.19 1pus s PRO 116 CO 0.50 -0.45 1.70 -0.35 0.04 0.00 0.00 177.00 178.44 1pus n PRO 117 N 4.60 0.17 0.00 0.56 -0.04 -1.26 -2.01 135.00 137.01 1pus n PRO 117 Ca 0.12 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.24 1pus n PRO 117 Cb 0.44 -1.95 0.39 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.84 -1.68 0.55 0.00 -1.26 -2.85 120.51 115.32 1pus n ALA 118 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1pus n ALA 118 Cb 0.10 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.44 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 2.20 -0.01 0.00 5.03 -0.85 -4.79 115.26 115.37 1pus n ASN 119 Ca 0.05 -3.86 -0.17 0.00 0.87 0.00 0.00 54.58 51.47 1pus n ASN 119 Cb 0.20 -0.50 -0.11 0.00 -1.02 0.00 0.00 39.78 38.36 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 1.19 0.36 -1.20 3.52 5.08 -1.69 -3.15 114.58 118.69 1pus h GLU 120 Ca 0.05 -0.36 0.37 0.00 -1.00 0.00 0.00 59.36 58.42 1pus h GLU 120 Cb 1.09 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1pus h GLU 120 CO 0.12 1.04 0.77 -1.35 -1.00 0.00 0.00 179.01 178.58 1pus h PRO 121 N -0.17 0.20 0.05 2.33 0.11 -1.86 1.46 132.00 134.11 1pus h PRO 121 Ca -0.05 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 1pus h PRO 121 Cb 1.19 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.27 1pus h PRO 121 CO 0.10 0.13 -0.65 0.28 -0.21 0.00 0.00 178.00 177.64 1pus h VAL 122 N 0.20 1.47 -0.08 3.15 2.07 -1.95 -3.28 116.25 117.83 1pus h VAL 122 Ca 0.73 -2.24 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 1pus h VAL 122 Cb 2.14 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 34.74 1pus h VAL 122 CO -0.38 0.64 -0.38 0.40 0.02 0.00 0.00 177.57 177.87 1pus h ILE 123 N -0.24 1.29 -0.41 4.57 1.08 -0.39 -2.51 117.51 120.91 1pus h ILE 123 Ca -0.10 -1.41 0.12 0.00 -0.39 0.00 0.00 64.86 63.08 1pus h ILE 123 Cb 1.41 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 1pus h ILE 123 CO 0.13 0.42 0.36 0.00 -0.69 0.00 0.00 178.15 178.37 1pus h ALA 124 N 1.47 2.22 0.01 1.87 0.00 0.17 1.84 119.26 126.84 1pus h ALA 124 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pus h ALA 124 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pus h ALA 124 CO 0.06 -0.57 -0.08 0.87 0.00 0.00 0.00 179.25 179.52 1pus h LYS 125 N 0.00 0.03 0.01 0.00 1.79 -1.56 -3.32 116.57 113.52 1pus h LYS 125 Ca 0.20 -0.05 -0.20 0.00 -2.18 0.00 0.00 60.65 58.42 1pus h LYS 125 Cb 0.92 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 1pus h LYS 125 CO -0.00 1.02 -0.93 1.25 -1.08 0.00 0.00 179.45 179.71 1pus h LEU 126 N -0.94 0.07 -0.82 2.94 5.85 -1.31 -3.29 115.31 117.81 1pus h LEU 126 Ca -0.02 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.76 1pus h LEU 126 Cb 1.06 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 1pus h LEU 126 CO 0.01 0.96 0.45 0.50 -0.34 0.00 0.00 178.44 180.02 1pus h LYS 127 N 0.02 0.68 0.00 1.25 3.64 0.27 0.89 116.57 123.32 1pus h LYS 127 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pus h LYS 127 Cb 1.63 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1pus h LYS 127 CO 0.13 0.45 0.00 -2.13 -2.27 0.00 0.00 179.45 175.63 1pus n ARG 128 N -4.81 0.12 -0.17 1.90 0.63 -1.24 -5.02 116.66 108.07 1pus n ARG 128 Ca 0.15 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1pus n ARG 128 Cb 0.34 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40