#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqv s GLN 3 N 0.00 3.82 0.23 -2.82 -1.52 -1.26 -5.07 119.66 113.04 2pqv s GLN 3 Ca 0.00 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.38 2pqv s GLN 3 Cb 0.00 -2.84 -0.09 0.00 -0.22 0.00 0.00 33.01 29.86 2pqv s GLN 3 CO 0.00 0.44 1.27 -1.14 -0.25 0.00 0.00 175.29 175.61 2pqv s GLN 4 N -2.33 4.43 0.43 2.91 2.00 -1.26 -4.94 119.66 120.90 2pqv s GLN 4 Ca 0.40 2.03 -0.23 0.00 -2.00 0.00 0.00 55.36 55.56 2pqv s GLN 4 Cb -0.13 -3.18 -0.09 0.00 0.80 0.00 0.00 33.01 30.41 2pqv s GLN 4 CO 0.20 -0.16 1.07 -0.51 -0.50 0.00 0.00 175.29 175.39 2pqv s ASP 5 N 0.03 6.56 -1.37 6.67 1.01 -1.26 -0.54 116.67 127.77 2pqv s ASP 5 Ca 0.53 2.07 -0.14 0.00 0.71 0.00 0.00 52.55 55.73 2pqv s ASP 5 Cb -0.36 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.07 2pqv s ASP 5 CO 0.41 -0.64 1.98 0.33 0.21 0.00 0.00 175.17 177.46 2pqv n PHE 6 N -0.33 3.77 -3.64 4.23 -0.00 0.30 -4.57 117.46 117.22 2pqv n PHE 6 Ca 0.06 -2.94 -0.10 0.00 -0.00 0.00 0.00 57.45 54.47 2pqv n PHE 6 Cb 0.50 -2.41 -0.07 0.00 -0.00 0.00 0.00 39.48 37.50 2pqv n PHE 6 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2pqv s ARG 7 N 2.65 0.76 -0.00 -4.13 3.52 -1.26 -1.41 118.95 119.07 2pqv s ARG 7 Ca 0.46 1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 57.13 2pqv s ARG 7 Cb 0.10 0.27 -0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2pqv s ARG 7 CO -0.03 -0.12 0.04 0.99 -0.81 0.00 0.00 175.30 175.37 2pqv s THR 8 N 1.00 0.05 -0.15 4.11 2.01 -0.21 -4.98 115.64 117.46 2pqv s THR 8 Ca -0.05 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2pqv s THR 8 Cb -0.05 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.26 2pqv s THR 8 CO -0.10 -0.24 -0.17 -0.75 -0.69 0.00 0.00 174.62 172.67 2pqv s LYS 9 N -0.74 3.15 -0.10 4.92 2.20 -1.26 -0.64 119.74 127.27 2pqv s LYS 9 Ca -0.08 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 2pqv s LYS 9 Cb -0.05 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2pqv s LYS 9 CO -0.00 -0.02 -0.14 0.08 -0.36 0.00 0.00 175.35 174.91 2pqv s VAL 10 N 0.87 1.40 0.00 4.02 1.01 -0.38 -4.99 120.40 122.33 2pqv s VAL 10 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2pqv s VAL 10 Cb -0.15 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2pqv s VAL 10 CO -0.02 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.98 2pqv n ASP 11 N 4.16 0.00 -1.20 3.32 8.00 -1.26 -1.74 116.55 127.82 2pqv n ASP 11 Ca -0.19 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.27 2pqv n ASP 11 Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.82 2pqv n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2pqv n ASN 12 N 7.36 2.72 -3.96 -2.24 4.05 -1.26 -4.95 115.26 116.98 2pqv n ASN 12 Ca 0.00 -3.68 -0.22 0.00 0.45 0.00 0.00 54.58 51.13 2pqv n ASN 12 Cb 0.00 -0.64 -0.16 0.00 1.23 0.00 0.00 39.78 40.21 2pqv n ASN 12 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2pqv s THR 13 N -3.20 0.82 -0.18 -0.44 2.01 -0.71 -1.75 115.64 112.18 2pqv s THR 13 Ca 0.45 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 2pqv s THR 13 Cb 0.40 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2pqv s THR 13 CO 0.01 0.28 0.03 -0.69 -0.69 0.00 0.00 174.62 173.57 2pqv s VAL 14 N 0.76 4.47 -0.03 3.82 1.01 0.16 -1.25 120.40 129.34 2pqv s VAL 14 Ca -0.13 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2pqv s VAL 14 Cb -0.15 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2pqv s VAL 14 CO 0.02 0.45 -0.08 0.72 0.00 0.00 0.00 175.10 176.22 2pqv s PHE 15 N 0.53 0.84 0.01 5.22 -0.12 0.19 -0.90 117.98 123.75 2pqv s PHE 15 Ca 0.01 -0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 56.66 2pqv s PHE 15 Cb -0.13 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.65 2pqv s PHE 15 CO 0.02 -0.10 0.11 0.41 -0.05 0.00 0.00 175.22 175.61 2pqv n GLY 16 N 3.36 0.94 3.16 1.99 0.00 -0.73 -1.04 105.19 112.87 2pqv n GLY 16 Ca -0.19 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2pqv n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqv s VAL 17 N -2.35 1.79 0.07 1.61 1.01 -0.50 -1.15 120.40 120.88 2pqv s VAL 17 Ca 0.03 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2pqv s VAL 17 Cb -0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2pqv s VAL 17 CO 0.00 0.50 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 2pqv s ARG 18 N 0.49 1.93 -0.14 2.72 3.52 0.43 -1.12 118.95 126.78 2pqv s ARG 18 Ca -0.16 -1.07 -0.03 0.00 -0.13 0.00 0.00 55.73 54.33 2pqv s ARG 18 Cb -0.17 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.05 2pqv s ARG 18 CO 0.06 0.51 -0.04 0.00 -0.81 0.00 0.00 175.30 175.03 2pqv s ALA 19 N -1.01 3.01 -0.09 6.12 0.00 0.21 -0.79 121.76 129.21 2pqv s ALA 19 Ca 0.16 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2pqv s ALA 19 Cb -0.10 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 2pqv s ALA 19 CO 0.07 0.27 -0.19 0.99 0.00 0.00 0.00 175.76 176.90 2pqv s THR 20 N 0.18 2.57 -0.47 0.00 2.01 0.20 -1.34 115.64 118.79 2pqv s THR 20 Ca -0.02 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 2pqv s THR 20 Cb -0.14 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.45 2pqv s THR 20 CO 0.03 0.56 0.38 0.00 -0.69 0.00 0.00 174.62 174.90 2pqv s ALA 21 N -0.01 3.52 -1.02 7.40 0.00 0.57 -0.84 121.76 131.38 2pqv s ALA 21 Ca -0.06 -2.19 -0.15 0.00 0.00 0.00 0.00 51.96 49.56 2pqv s ALA 21 Cb -0.15 -3.02 0.18 0.00 0.00 0.00 0.00 23.12 20.14 2pqv s ALA 21 CO 0.05 -1.76 1.15 -0.51 0.00 0.00 0.00 175.76 174.68 2pqv s LEU 22 N 1.59 5.60 -0.39 0.00 1.43 0.80 -4.12 118.68 123.59 2pqv s LEU 22 Ca 0.04 -2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 50.18 2pqv s LEU 22 Cb -0.25 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.66 2pqv s LEU 22 CO 0.05 -0.75 0.92 -0.63 0.23 0.00 0.00 176.35 176.17 2pqv s ILE 23 N 1.23 4.57 -0.16 -0.59 1.01 -1.26 -3.04 121.20 122.95 2pqv s ILE 23 Ca 0.32 1.09 0.02 0.00 0.00 0.00 0.00 60.65 62.09 2pqv s ILE 23 Cb -0.06 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2pqv s ILE 23 CO -0.06 -0.59 -0.21 -0.69 0.00 0.00 0.00 174.94 173.39 2pqv s VAL 24 N 3.52 2.03 -0.02 2.92 1.01 -1.26 -0.77 120.40 127.83 2pqv s VAL 24 Ca 0.38 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2pqv s VAL 24 Cb -0.12 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2pqv s VAL 24 CO 0.20 0.54 0.04 -1.10 0.00 0.00 0.00 175.10 174.78 2pqv s GLN 25 N 1.05 0.03 -1.58 2.72 -0.21 0.03 -4.87 119.66 116.83 2pqv s GLN 25 Ca -0.01 0.09 -0.14 0.00 0.02 0.00 0.00 55.36 55.32 2pqv s GLN 25 Cb -0.14 -0.03 0.10 0.00 1.00 0.00 0.00 33.01 33.94 2pqv s GLN 25 CO -0.07 -0.04 0.84 0.09 -2.12 0.00 0.00 175.29 173.99 2pqv n ASN 26 N 3.30 -3.60 -1.07 5.90 3.02 -1.26 -1.14 115.26 120.41 2pqv n ASN 26 Ca -0.15 -0.89 -0.12 0.00 -0.03 0.00 0.00 54.58 53.38 2pqv n ASN 26 Cb 0.58 -3.38 -0.04 0.00 -0.61 0.00 0.00 39.78 36.33 2pqv n ASN 26 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2pqv n HIS 27 N -4.52 -0.19 -4.29 3.10 -0.00 -1.26 -5.00 115.22 103.06 2pqv n HIS 27 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2pqv n HIS 27 Cb 0.54 -2.38 -0.13 0.00 -0.12 0.00 0.00 29.99 27.89 2pqv n HIS 27 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2pqv s LYS 28 N -3.54 0.80 -0.18 1.57 1.02 -0.29 -1.54 119.74 117.57 2pqv s LYS 28 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 2pqv s LYS 28 Cb 0.00 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 2pqv s LYS 28 CO 0.00 0.19 0.11 -1.17 -0.92 0.00 0.00 175.35 173.56 2pqv s LEU 29 N -1.04 4.13 -0.30 3.17 2.96 0.95 -0.79 118.68 127.77 2pqv s LEU 29 Ca -0.00 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 2pqv s LEU 29 Cb -0.07 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.58 2pqv s LEU 29 CO 0.01 0.23 1.11 -0.22 -1.32 0.00 0.00 176.35 176.16 2pqv s LEU 30 N 0.07 3.96 0.28 -0.68 2.96 0.05 -0.62 118.68 124.70 2pqv s LEU 30 Ca 0.08 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 55.21 2pqv s LEU 30 Cb -0.11 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 2pqv s LEU 30 CO -0.00 -0.87 -0.05 0.68 -1.32 0.00 0.00 176.35 174.78 2pqv s VAL 31 N 3.69 1.61 0.12 1.68 -7.23 0.36 -4.61 120.40 116.01 2pqv s VAL 31 Ca 0.47 -2.12 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 2pqv s VAL 31 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2pqv s VAL 31 CO 0.15 -0.28 -0.25 0.28 -0.31 0.00 0.00 175.10 174.69 2pqv s THR 32 N -3.03 2.08 -0.07 5.32 -1.32 0.19 -0.79 115.64 118.02 2pqv s THR 32 Ca 0.30 -1.68 0.02 0.00 -1.21 0.00 0.00 61.69 59.12 2pqv s THR 32 Cb 0.04 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.15 2pqv s THR 32 CO 0.12 0.06 -0.11 -0.75 -2.21 0.00 0.00 174.62 171.73 2pqv s LYS 33 N -1.98 2.72 -0.25 7.08 2.20 -1.08 0.25 119.74 128.68 2pqv s LYS 33 Ca 0.12 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 55.01 2pqv s LYS 33 Cb -0.10 -2.50 0.11 0.00 -1.51 0.00 0.00 37.83 33.82 2pqv s LYS 33 CO 0.05 0.59 0.54 0.34 -0.36 0.00 0.00 175.35 176.51 2pqv s ASP 34 N -0.64 -0.71 -1.21 1.43 2.15 -0.22 -4.35 116.67 113.13 2pqv s ASP 34 Ca 0.09 1.28 -0.18 0.00 0.43 0.00 0.00 52.55 54.18 2pqv s ASP 34 Cb -0.11 1.78 -0.00 0.00 -0.30 0.00 0.00 42.92 44.29 2pqv s ASP 34 CO 0.01 -0.23 0.70 0.29 -0.17 0.00 0.00 175.17 175.78 2pqv n LYS 35 N 5.34 -1.61 0.00 4.34 5.02 -1.26 -2.22 118.16 127.77 2pqv n LYS 35 Ca -0.11 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2pqv n LYS 35 Cb 0.50 -4.05 0.00 0.00 -0.02 0.00 0.00 35.03 31.46 2pqv n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqv n GLY 36 N -1.79 2.76 3.94 0.72 0.00 -1.26 -4.98 105.19 104.57 2pqv n GLY 36 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2pqv n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqv s LYS 37 N 0.00 3.40 -0.03 1.61 1.02 -0.94 -4.63 119.74 120.16 2pqv s LYS 37 Ca 0.00 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.34 2pqv s LYS 37 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2pqv s LYS 37 CO 0.00 0.48 -0.13 0.71 -0.92 0.00 0.00 175.35 175.49 2pqv s TYR 38 N -1.85 2.74 0.18 3.18 2.02 0.14 -1.06 117.35 122.70 2pqv s TYR 38 Ca 0.34 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.95 2pqv s TYR 38 Cb -0.10 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2pqv s TYR 38 CO 0.28 0.24 -0.07 0.71 -1.57 0.00 0.00 175.55 175.14 2pqv s TYR 39 N -0.81 1.41 0.32 2.71 2.02 0.14 -1.13 117.35 122.02 2pqv s TYR 39 Ca 0.13 -0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 55.97 2pqv s TYR 39 Cb -0.11 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2pqv s TYR 39 CO 0.02 0.07 0.61 0.95 -1.57 0.00 0.00 175.55 175.63 2pqv s THR 40 N -3.32 4.97 0.25 -0.71 -4.23 -1.26 -0.63 115.64 110.71 2pqv s THR 40 Ca 0.21 0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 2pqv s THR 40 Cb 0.03 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.03 2pqv s THR 40 CO 0.04 -0.40 1.35 -0.63 -0.54 0.00 0.00 174.62 174.44 2pqv s ILE 41 N -2.18 2.89 -5.00 2.99 -1.09 -1.26 -4.89 121.20 112.66 2pqv s ILE 41 Ca 0.45 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2pqv s ILE 41 Cb -0.11 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2pqv s ILE 41 CO 0.31 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 2pqv n GLY 42 N 1.90 -0.90 0.00 6.18 0.00 -1.26 -0.32 105.19 110.79 2pqv n GLY 42 Ca 0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2pqv n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqv n GLY 43 N -0.60 -1.70 3.75 -0.02 0.00 -0.45 -5.01 105.19 101.16 2pqv n GLY 43 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2pqv n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqv s ALA 44 N -1.81 3.74 0.74 4.61 0.00 -1.26 -0.62 121.76 127.17 2pqv s ALA 44 Ca 0.00 1.55 -0.12 0.00 0.00 0.00 0.00 51.96 53.39 2pqv s ALA 44 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.52 2pqv s ALA 44 CO 0.00 -0.96 1.09 0.96 0.00 0.00 0.00 175.76 176.86 2pqv s ILE 45 N 0.05 3.36 0.30 0.00 -4.36 -0.28 -4.77 121.20 115.50 2pqv s ILE 45 Ca 0.63 0.49 -0.08 0.00 -0.26 0.00 0.00 60.65 61.43 2pqv s ILE 45 Cb -0.47 -2.99 -0.06 0.00 1.25 0.00 0.00 42.46 40.18 2pqv s ILE 45 CO 0.47 -0.53 0.60 -1.10 0.24 0.00 0.00 174.94 174.62 2pqv s GLN 46 N -4.71 3.71 0.25 0.37 -0.21 -1.26 -0.54 119.66 117.27 2pqv s GLN 46 Ca 0.62 0.19 -0.31 0.00 0.02 0.00 0.00 55.36 55.88 2pqv s GLN 46 Cb -0.18 -2.59 -0.12 0.00 1.00 0.00 0.00 33.01 31.13 2pqv s GLN 46 CO 0.52 0.19 1.65 0.08 -2.12 0.00 0.00 175.29 175.61 2pqv s VAL 47 N -2.07 2.08 -0.11 1.09 1.01 0.30 -1.60 120.40 121.09 2pqv s VAL 47 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2pqv s VAL 47 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2pqv s VAL 47 CO 0.28 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.97 2pqv n ASN 48 N 3.13 -3.83 -4.76 3.32 5.03 -1.26 -4.81 115.26 112.08 2pqv n ASN 48 Ca 0.12 0.03 -0.35 0.00 0.87 0.00 0.00 54.58 55.25 2pqv n ASN 48 Cb 0.36 -1.42 -0.08 0.00 -1.02 0.00 0.00 39.78 37.62 2pqv n ASN 48 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2pqv s GLU 49 N -0.91 3.14 0.58 3.52 2.12 -0.63 -5.11 118.70 121.41 2pqv s GLU 49 Ca 0.00 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 54.83 2pqv s GLU 49 Cb 0.00 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2pqv s GLU 49 CO 0.00 0.72 1.07 -1.54 -0.54 0.00 0.00 175.26 174.96 2pqv s SER 50 N -1.08 5.80 0.39 -1.70 1.04 -1.26 -4.71 113.70 112.16 2pqv s SER 50 Ca 0.16 1.89 0.11 0.00 0.48 0.00 0.00 55.95 58.59 2pqv s SER 50 Cb -0.12 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.24 2pqv s SER 50 CO 0.05 -1.16 1.88 0.71 0.98 0.00 0.00 173.24 175.70 2pqv h THR 51 N 0.64 1.21 -0.05 2.02 1.35 -1.98 -0.29 112.91 115.81 2pqv h THR 51 Ca -0.48 -1.00 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2pqv h THR 51 Cb 1.23 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2pqv h THR 51 CO 0.57 0.29 0.03 -0.33 -0.25 0.00 0.00 175.52 175.83 2pqv h GLU 52 N 0.09 0.07 -0.58 4.72 3.07 -1.99 -0.87 114.58 119.09 2pqv h GLU 52 Ca 0.01 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2pqv h GLU 52 Cb 0.51 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 2pqv h GLU 52 CO 0.04 0.13 0.15 -0.44 -1.40 0.00 0.00 179.01 177.50 2pqv h ASP 53 N -0.01 0.84 -0.28 1.42 3.32 -1.84 -2.22 116.42 117.64 2pqv h ASP 53 Ca 0.02 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2pqv h ASP 53 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2pqv h ASP 53 CO -0.00 0.81 0.17 0.00 -1.72 0.00 0.00 179.24 178.49 2pqv h ALA 54 N 1.30 0.36 -0.53 3.45 0.00 -0.86 -0.26 119.26 122.73 2pqv h ALA 54 Ca 0.19 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2pqv h ALA 54 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pqv h ALA 54 CO -0.00 -0.13 -0.00 -0.24 0.00 0.00 0.00 179.25 178.88 2pqv h VAL 55 N 0.35 1.25 -0.53 0.00 3.04 -0.91 0.12 116.25 119.58 2pqv h VAL 55 Ca 0.10 -1.08 -0.09 0.00 -1.01 0.00 0.00 66.70 64.62 2pqv h VAL 55 Cb 0.03 0.85 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 2pqv h VAL 55 CO -0.02 0.38 -0.03 0.58 -1.01 0.00 0.00 177.57 177.48 2pqv h VAL 56 N 0.84 1.27 -0.66 1.51 2.07 -1.25 -1.43 116.25 118.59 2pqv h VAL 56 Ca 0.16 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2pqv h VAL 56 Cb 0.50 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2pqv h VAL 56 CO 0.02 0.41 0.17 -0.09 0.02 0.00 0.00 177.57 178.10 2pqv h ARG 57 N 0.84 1.04 -0.67 1.57 2.43 -0.45 -1.50 114.38 117.63 2pqv h ARG 57 Ca 0.15 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2pqv h ARG 57 Cb 0.57 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2pqv h ARG 57 CO 0.03 0.93 0.33 0.93 -1.51 0.00 0.00 179.97 180.68 2pqv h GLU 58 N 0.97 0.97 -0.52 0.20 4.39 -0.57 0.13 114.58 120.15 2pqv h GLU 58 Ca 0.21 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2pqv h GLU 58 Cb 0.34 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2pqv h GLU 58 CO -0.00 0.77 0.23 0.28 -1.16 0.00 0.00 179.01 179.12 2pqv h VAL 59 N 0.94 1.21 -0.33 3.13 2.07 -1.08 0.52 116.25 122.70 2pqv h VAL 59 Ca 0.23 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2pqv h VAL 59 Cb 0.11 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2pqv h VAL 59 CO -0.03 0.24 0.16 0.50 0.02 0.00 0.00 177.57 178.46 2pqv h LYS 60 N 0.70 0.32 -0.17 1.57 3.64 -0.81 0.17 116.57 122.00 2pqv h LYS 60 Ca 0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2pqv h LYS 60 Cb 0.16 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2pqv h LYS 60 CO -0.02 0.21 0.01 0.93 -2.27 0.00 0.00 179.45 178.32 2pqv h GLU 61 N 0.33 0.29 0.05 1.90 5.08 -0.46 -1.09 114.58 120.69 2pqv h GLU 61 Ca 0.14 -0.09 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 2pqv h GLU 61 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pqv h GLU 61 CO -0.10 0.50 -1.68 0.93 -1.00 0.00 0.00 179.01 177.66 2pqv h GLU 62 N 0.05 0.11 0.00 2.33 5.08 -0.82 -3.39 114.58 117.94 2pqv h GLU 62 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2pqv h GLU 62 Cb 0.36 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2pqv h GLU 62 CO 0.01 0.82 -1.51 1.28 -1.00 0.00 0.00 179.01 178.60 2pqv n LEU 63 N -3.25 0.06 -0.57 1.33 4.77 0.58 -1.57 117.00 118.34 2pqv n LEU 63 Ca -0.19 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.68 2pqv n LEU 63 Cb 1.04 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 2pqv n LEU 63 CO 0.46 0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 2pqv n GLY 64 N 1.71 0.56 3.27 -0.72 0.00 -0.41 -4.63 105.19 104.97 2pqv n GLY 64 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 2pqv n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pqv s VAL 65 N -2.26 1.49 0.43 1.61 -7.23 -1.26 -5.00 120.40 108.17 2pqv s VAL 65 Ca 0.00 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 2pqv s VAL 65 Cb 0.00 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 2pqv s VAL 65 CO 0.00 -0.39 1.00 -0.54 -0.31 0.00 0.00 175.10 174.86 2pqv s LYS 66 N -2.75 4.13 0.20 4.82 1.02 -1.26 -3.63 119.74 122.27 2pqv s LYS 66 Ca 0.11 1.32 -0.21 0.00 0.02 0.00 0.00 55.97 57.22 2pqv s LYS 66 Cb -0.05 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.98 2pqv s LYS 66 CO 0.04 -0.14 0.61 0.00 -0.92 0.00 0.00 175.35 174.93 2pqv s ALA 67 N -1.91 -1.33 0.13 5.17 0.00 -1.26 -0.93 121.76 121.62 2pqv s ALA 67 Ca 0.61 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.78 2pqv s ALA 67 Cb -0.16 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2pqv s ALA 67 CO 0.20 -0.84 -0.20 -0.65 0.00 0.00 0.00 175.76 174.28 2pqv s GLN 68 N -3.82 1.71 0.26 0.00 -0.21 0.43 -4.90 119.66 113.12 2pqv s GLN 68 Ca 0.05 -1.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.13 2pqv s GLN 68 Cb -0.02 -2.05 0.30 0.00 1.00 0.00 0.00 33.01 32.24 2pqv s GLN 68 CO -0.06 0.46 1.91 0.00 -2.12 0.00 0.00 175.29 175.49 2pqv h ALA 69 N 3.64 1.27 -0.57 6.09 0.00 -1.86 -1.07 119.26 126.76 2pqv h ALA 69 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pqv h ALA 69 Cb 1.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2pqv h ALA 69 CO 0.45 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2pqv n GLY 70 N -1.27 -0.23 3.74 0.00 0.00 -1.26 -3.27 105.19 102.90 2pqv n GLY 70 Ca 0.10 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 2pqv n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pqv s GLN 71 N 0.00 4.66 -0.21 1.61 0.74 -1.25 -4.73 119.66 120.48 2pqv s GLN 71 Ca 0.00 1.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.75 2pqv s GLN 71 Cb 0.00 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 2pqv s GLN 71 CO 0.00 0.18 1.33 -1.17 -0.55 0.00 0.00 175.29 175.07 2pqv s LEU 72 N -0.48 4.07 -0.19 3.68 2.96 -1.26 -0.52 118.68 126.93 2pqv s LEU 72 Ca 0.47 1.56 -0.15 0.00 -0.22 0.00 0.00 54.13 55.79 2pqv s LEU 72 Cb -0.28 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.67 2pqv s LEU 72 CO 0.34 -0.92 0.20 0.00 -1.32 0.00 0.00 176.35 174.65 2pqv n ALA 73 N 7.13 0.88 -2.85 5.97 0.00 0.36 -4.37 120.51 127.63 2pqv n ALA 73 Ca 0.15 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 2pqv n ALA 73 Cb 0.45 -0.52 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 2pqv n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2pqv s PHE 74 N -2.45 0.34 -0.22 0.00 0.08 -1.11 -1.43 117.98 113.19 2pqv s PHE 74 Ca -0.28 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2pqv s PHE 74 Cb 0.07 -0.22 0.01 0.00 -0.57 0.00 0.00 43.02 42.31 2pqv s PHE 74 CO 0.64 -0.06 -0.09 0.08 -0.10 0.00 0.00 175.22 175.70 2pqv s VAL 75 N -0.63 2.82 -0.09 -0.44 1.01 -0.61 -0.92 120.40 121.53 2pqv s VAL 75 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2pqv s VAL 75 Cb -0.05 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2pqv s VAL 75 CO -0.00 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 2pqv s VAL 76 N 1.36 2.59 -0.29 2.92 1.01 0.20 -0.97 120.40 127.22 2pqv s VAL 76 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2pqv s VAL 76 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2pqv s VAL 76 CO -0.06 0.55 0.20 -1.61 0.00 0.00 0.00 175.10 174.18 2pqv s GLU 77 N 0.08 3.86 -0.11 2.72 2.02 -0.21 -0.35 118.70 126.71 2pqv s GLU 77 Ca -0.08 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2pqv s GLU 77 Cb -0.15 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.42 2pqv s GLU 77 CO 0.05 -0.23 -0.10 1.21 0.02 0.00 0.00 175.26 176.21 2pqv s ASN 78 N 1.75 2.21 -0.09 -0.19 2.47 -0.08 -4.13 114.94 116.89 2pqv s ASN 78 Ca 0.07 -0.34 0.02 0.00 0.42 0.00 0.00 52.86 53.03 2pqv s ASN 78 Cb -0.16 -0.91 -0.02 0.00 -1.45 0.00 0.00 41.25 38.71 2pqv s ASN 78 CO 0.11 -0.07 -0.15 -0.13 -3.72 0.00 0.00 177.10 173.13 2pqv s ARG 79 N 1.44 2.89 0.24 0.43 0.52 -1.26 -0.85 118.95 122.36 2pqv s ARG 79 Ca 0.01 -0.72 -0.20 0.00 -0.52 0.00 0.00 55.73 54.30 2pqv s ARG 79 Cb -0.13 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 32.91 2pqv s ARG 79 CO -0.06 0.41 0.63 -0.59 0.02 0.00 0.00 175.30 175.71 2pqv s PHE 80 N -0.17 -0.17 -0.09 -0.53 -0.71 -0.77 -5.00 117.98 110.53 2pqv s PHE 80 Ca -0.01 -0.21 0.01 0.00 -1.04 0.00 0.00 56.93 55.68 2pqv s PHE 80 Cb -0.13 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 2pqv s PHE 80 CO 0.03 -1.07 -0.12 -1.21 -1.34 0.00 0.00 175.22 171.51 2pqv s GLU 81 N -3.89 2.97 -0.08 1.99 0.41 -1.26 -0.30 118.70 118.55 2pqv s GLU 81 Ca 0.10 -0.66 -0.00 0.00 -0.41 0.00 0.00 54.97 54.00 2pqv s GLU 81 Cb -0.03 -2.55 0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2pqv s GLU 81 CO 0.02 0.44 -0.04 0.08 -0.49 0.00 0.00 175.26 175.26 2pqv s VAL 82 N -0.23 0.67 -1.62 2.63 1.01 -0.46 -4.87 120.40 117.52 2pqv s VAL 82 Ca 0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2pqv s VAL 82 Cb -0.13 -0.73 0.12 0.00 0.00 0.00 0.00 36.38 35.64 2pqv s VAL 82 CO 0.03 0.29 0.88 0.47 0.00 0.00 0.00 175.10 176.77 2pqv n ASP 83 N 4.72 -4.01 0.00 3.32 8.00 -1.26 -1.25 116.55 126.07 2pqv n ASP 83 Ca -0.14 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2pqv n ASP 83 Cb 0.50 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 2pqv n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqv n GLY 84 N -1.54 0.95 3.78 0.44 0.00 -1.26 -5.03 105.19 102.53 2pqv n GLY 84 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2pqv n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqv s VAL 85 N -3.76 5.44 0.19 1.61 1.01 -0.38 -5.04 120.40 119.48 2pqv s VAL 85 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 2pqv s VAL 85 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 2pqv s VAL 85 CO 0.00 0.50 0.81 -0.44 0.00 0.00 0.00 175.10 175.97 2pqv s SER 86 N -0.09 7.39 -0.02 3.32 0.01 -0.72 -1.36 113.70 122.23 2pqv s SER 86 Ca 0.10 1.68 0.06 0.00 1.31 0.00 0.00 55.95 59.10 2pqv s SER 86 Cb -0.11 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2pqv s SER 86 CO -0.00 0.16 -0.20 -0.31 0.41 0.00 0.00 173.24 173.30 2pqv s TYR 87 N -1.23 1.78 -0.23 2.43 2.02 0.59 -0.67 117.35 122.05 2pqv s TYR 87 Ca 0.38 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2pqv s TYR 87 Cb -0.22 -1.15 0.07 0.00 -0.40 0.00 0.00 41.96 40.26 2pqv s TYR 87 CO 0.26 -0.03 0.05 -1.58 -1.57 0.00 0.00 175.55 172.68 2pqv s HIS 88 N -0.47 1.24 0.03 2.71 5.65 -0.08 -1.85 115.29 122.52 2pqv s HIS 88 Ca 0.08 -1.11 0.04 0.00 0.25 0.00 0.00 55.06 54.32 2pqv s HIS 88 Cb -0.08 -1.20 -0.04 0.00 -1.18 0.00 0.00 32.58 30.08 2pqv s HIS 88 CO -0.01 -0.69 -0.06 -0.80 -0.65 0.00 0.00 174.74 172.54 2pqv s ASN 89 N 1.79 4.69 -0.20 9.88 0.01 -0.02 -1.78 114.94 129.30 2pqv s ASN 89 Ca 0.01 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.90 2pqv s ASN 89 Cb -0.17 -1.08 -0.05 0.00 0.41 0.00 0.00 41.25 40.36 2pqv s ASN 89 CO -0.13 0.26 0.11 -0.63 -1.51 0.00 0.00 177.10 175.19 2pqv s ILE 90 N -1.07 5.16 -0.03 0.60 -1.09 -0.30 -0.90 121.20 123.56 2pqv s ILE 90 Ca 0.19 0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.77 2pqv s ILE 90 Cb -0.11 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2pqv s ILE 90 CO 0.10 0.44 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.43 2pqv s GLU 91 N 0.43 1.89 -0.28 2.79 2.02 0.53 -0.43 118.70 125.66 2pqv s GLU 91 Ca 0.06 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 54.26 2pqv s GLU 91 Cb -0.12 -1.72 0.01 0.00 0.10 0.00 0.00 34.13 32.41 2pqv s GLU 91 CO -0.01 0.37 0.04 -0.06 0.02 0.00 0.00 175.26 175.63 2pqv s PHE 92 N -0.26 3.13 -0.33 1.61 0.08 0.02 -0.63 117.98 121.60 2pqv s PHE 92 Ca 0.02 -1.13 -0.11 0.00 0.12 0.00 0.00 56.93 55.83 2pqv s PHE 92 Cb -0.10 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2pqv s PHE 92 CO 0.01 -0.61 0.19 -1.01 -0.10 0.00 0.00 175.22 173.70 2pqv s HIS 93 N 1.45 3.20 -0.10 0.36 3.76 -0.10 -0.63 115.29 123.24 2pqv s HIS 93 Ca 0.02 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2pqv s HIS 93 Cb -0.17 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 2pqv s HIS 93 CO 0.01 -0.44 -0.01 0.71 -0.85 0.00 0.00 174.74 174.15 2pqv s TYR 94 N 1.65 3.12 -1.31 1.40 2.02 -0.02 -0.48 117.35 123.73 2pqv s TYR 94 Ca 0.05 0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 56.71 2pqv s TYR 94 Cb -0.17 -1.81 0.11 0.00 -0.40 0.00 0.00 41.96 39.68 2pqv s TYR 94 CO 0.08 0.37 1.80 1.28 -1.57 0.00 0.00 175.55 177.51 2pqv n LEU 95 N 2.40 5.75 -4.76 -1.29 4.77 0.32 -0.14 117.00 124.05 2pqv n LEU 95 Ca -0.18 -4.24 -0.39 0.00 -0.03 0.00 0.00 56.01 51.16 2pqv n LEU 95 Cb 0.53 -1.65 0.02 0.00 -2.33 0.00 0.00 43.42 39.99 2pqv n LEU 95 CO 0.29 0.74 1.03 -0.69 -1.33 0.00 0.00 177.39 177.42 2pqv s VAL 96 N 2.61 2.20 -0.35 4.08 1.01 -1.17 -3.81 120.40 124.96 2pqv s VAL 96 Ca 0.47 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 2pqv s VAL 96 Cb 0.05 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2pqv s VAL 96 CO 0.01 0.02 0.19 -1.81 0.00 0.00 0.00 175.10 173.51 2pqv s ASP 97 N -0.66 5.70 0.33 3.32 1.01 -0.40 -4.45 116.67 121.52 2pqv s ASP 97 Ca 0.62 -0.78 -0.27 0.00 0.71 0.00 0.00 52.55 52.82 2pqv s ASP 97 Cb -0.42 -2.03 -0.09 0.00 1.01 0.00 0.00 42.92 41.39 2pqv s ASP 97 CO 0.53 -0.31 1.12 -0.76 0.21 0.00 0.00 175.17 175.96 2pqv s LEU 98 N 1.59 4.39 0.00 1.23 1.43 -1.26 -0.43 118.68 125.63 2pqv s LEU 98 Ca 0.03 2.28 0.20 0.00 -1.03 0.00 0.00 54.13 55.61 2pqv s LEU 98 Cb -0.18 -3.82 0.14 0.00 0.03 0.00 0.00 46.19 42.36 2pqv s LEU 98 CO 0.07 -0.35 1.11 0.18 0.23 0.00 0.00 176.35 177.59 2pqv n LEU 99 N 0.68 2.57 -4.11 1.79 4.77 -0.11 -4.91 117.00 117.69 2pqv n LEU 99 Ca 0.01 -0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 54.93 2pqv n LEU 99 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2pqv n LEU 99 CO 0.52 0.44 -0.24 -1.61 -1.33 0.00 0.00 177.39 175.18 2pqv s GLU 100 N -1.74 0.97 0.43 3.23 2.02 -1.24 -4.94 118.70 117.43 2pqv s GLU 100 Ca 0.22 -1.39 -0.26 0.00 0.02 0.00 0.00 54.97 53.57 2pqv s GLU 100 Cb 0.17 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.58 2pqv s GLU 100 CO 0.28 -0.29 1.44 -0.51 0.02 0.00 0.00 175.26 176.20 2pqv s ASP 101 N -3.03 6.02 0.32 -0.19 1.01 -1.26 -4.94 116.67 114.59 2pqv s ASP 101 Ca 0.23 2.95 -0.28 0.00 0.71 0.00 0.00 52.55 56.16 2pqv s ASP 101 Cb 0.07 -2.66 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2pqv s ASP 101 CO 0.01 -1.08 1.15 0.00 0.21 0.00 0.00 175.17 175.46 2pqv s ALA 102 N -1.18 3.35 0.84 5.23 0.00 -1.26 -4.96 121.76 123.78 2pqv s ALA 102 Ca 0.58 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 2pqv s ALA 102 Cb -0.44 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.41 2pqv s ALA 102 CO 0.58 -0.32 1.14 -1.25 0.00 0.00 0.00 175.76 175.91 2pqv s PRO 103 N -1.76 1.70 0.22 0.00 0.04 -1.26 -4.98 135.00 128.96 2pqv s PRO 103 Ca 0.49 0.29 0.26 0.00 0.04 0.00 0.00 61.00 62.08 2pqv s PRO 103 Cb -0.32 -1.90 0.81 0.00 0.04 0.00 0.00 34.50 33.12 2pqv s PRO 103 CO 0.42 -1.81 1.77 1.28 0.04 0.00 0.00 177.00 178.69 2pqv n LEU 104 N -3.50 0.84 0.00 -3.56 4.32 -1.26 -4.83 117.00 109.01 2pqv n LEU 104 Ca 0.07 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 2pqv n LEU 104 Cb 0.59 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2pqv n LEU 104 CO 0.57 -0.22 0.00 0.35 -1.22 0.00 0.00 177.39 176.87 2pqv n THR 105 N -2.29 0.00 -3.63 -5.08 -2.24 -1.26 -0.73 114.28 99.04 2pqv n THR 105 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2pqv n THR 105 Cb 0.42 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 2pqv n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqv s GLN 107 N 0.15 0.70 -0.08 -0.78 -2.07 -0.61 -4.84 119.66 112.15 2pqv s GLN 107 Ca 0.00 0.83 -0.04 0.00 -1.82 0.00 0.00 55.36 54.32 2pqv s GLN 107 Cb 0.00 0.34 0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2pqv s GLN 107 CO 0.00 -0.09 0.18 -2.00 -1.32 0.00 0.00 175.29 172.07 2pqv s GLU 108 N 0.30 0.15 -1.20 9.60 2.12 -0.77 -4.22 118.70 124.67 2pqv s GLU 108 Ca 0.01 0.39 -0.06 0.00 0.36 0.00 0.00 54.97 55.67 2pqv s GLU 108 Cb -0.05 -0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.29 2pqv s GLU 108 CO -0.02 -0.13 0.36 -0.25 -0.54 0.00 0.00 175.26 174.68 2pqv n ASP 109 N 3.93 -3.83 -0.90 -1.70 8.00 -1.26 -1.53 116.55 119.26 2pqv n ASP 109 Ca -0.23 -0.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.95 2pqv n ASP 109 Cb 0.54 -3.19 -0.04 0.00 -0.02 0.00 0.00 41.12 38.40 2pqv n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pqv n GLU 110 N -3.47 -0.80 -4.52 -1.24 -0.58 -1.26 -5.00 120.64 103.77 2pqv n GLU 110 Ca -0.05 0.87 -0.33 0.00 -0.42 0.00 0.00 57.16 57.22 2pqv n GLU 110 Cb 0.56 -4.86 -0.14 0.00 -0.57 0.00 0.00 31.44 26.43 2pqv n GLU 110 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2pqv s LYS 111 N -3.09 3.34 0.07 3.49 1.02 -0.58 -5.12 119.74 118.87 2pqv s LYS 111 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 2pqv s LYS 111 Cb 0.00 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2pqv s LYS 111 CO 0.00 0.07 0.41 1.03 -0.92 0.00 0.00 175.35 175.94 2pqv s ARG 112 N 0.71 3.79 0.03 1.68 3.00 -1.26 -1.86 118.95 125.04 2pqv s ARG 112 Ca -0.06 0.22 0.02 0.00 0.00 0.00 0.00 55.73 55.92 2pqv s ARG 112 Cb -0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 34.95 31.75 2pqv s ARG 112 CO 0.02 0.58 -0.08 -0.65 0.00 0.00 0.00 175.30 175.17 2pqv s GLN 113 N -1.79 0.56 0.48 3.54 -0.21 -1.26 -5.01 119.66 115.96 2pqv s GLN 113 Ca 0.32 -0.57 -0.21 0.00 0.02 0.00 0.00 55.36 54.92 2pqv s GLN 113 Cb -0.14 -0.44 -0.08 0.00 1.00 0.00 0.00 33.01 33.35 2pqv s GLN 113 CO 0.17 0.10 1.07 -1.25 -2.12 0.00 0.00 175.29 173.26 2pqv s PRO 114 N -1.03 3.79 0.16 2.91 0.04 -1.26 -4.50 135.00 135.11 2pqv s PRO 114 Ca -0.04 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2pqv s PRO 114 Cb -0.07 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2pqv s PRO 114 CO 0.00 -0.46 -0.11 0.00 0.04 0.00 0.00 177.00 176.47 2pqv s GLU 116 N -2.67 0.22 -0.33 0.00 2.02 0.03 -4.78 118.70 113.19 2pqv s GLU 116 Ca 0.24 -0.39 -0.16 0.00 0.02 0.00 0.00 54.97 54.67 2pqv s GLU 116 Cb -0.09 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.21 2pqv s GLU 116 CO 0.14 -0.04 0.42 -1.58 0.02 0.00 0.00 175.26 174.23 2pqv s TRP 117 N -0.97 3.21 -0.09 1.61 0.52 -1.26 -0.49 118.94 121.47 2pqv s TRP 117 Ca -0.11 0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.18 2pqv s TRP 117 Cb -0.07 -2.74 -0.01 0.00 -1.15 0.00 0.00 33.47 29.50 2pqv s TRP 117 CO -0.01 -0.43 -0.18 -1.50 0.02 0.00 0.00 176.95 174.86 2pqv s ILE 118 N 2.16 2.68 0.28 2.03 2.07 0.21 -4.84 121.20 125.80 2pqv s ILE 118 Ca 0.15 -0.82 -0.30 0.00 -1.41 0.00 0.00 60.65 58.27 2pqv s ILE 118 Cb -0.16 -2.06 -0.13 0.00 0.13 0.00 0.00 42.46 40.24 2pqv s ILE 118 CO 0.12 0.56 1.35 -0.67 -1.91 0.00 0.00 174.94 174.38 2pqv n ASP 119 N 3.07 2.72 -0.00 4.50 2.03 -1.26 -0.03 116.55 127.57 2pqv n ASP 119 Ca -0.18 1.17 0.12 0.00 0.52 0.00 0.00 54.79 56.43 2pqv n ASP 119 Cb 0.52 -1.45 0.56 0.00 -0.72 0.00 0.00 41.12 40.03 2pqv n ASP 119 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2pqv h LEU 120 N 3.46 0.24 -0.11 -2.67 3.38 -1.64 0.64 115.31 118.61 2pqv h LEU 120 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pqv h LEU 120 Cb 1.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2pqv h LEU 120 CO 0.70 0.15 -0.01 0.47 0.09 0.00 0.00 178.44 179.84 2pqv n ASP 121 N -4.46 0.18 -0.29 -0.43 8.00 -1.26 -3.04 116.55 115.24 2pqv n ASP 121 Ca 0.07 -0.82 0.03 0.00 0.71 0.00 0.00 54.79 54.78 2pqv n ASP 121 Cb 0.35 -0.07 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 2pqv n ASP 121 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pqv n LYS 122 N -0.95 1.93 0.02 -1.24 4.76 0.20 -4.58 118.16 118.30 2pqv n LYS 122 Ca 0.21 -1.48 0.03 0.00 -2.87 0.00 0.00 58.31 54.20 2pqv n LYS 122 Cb 0.18 -1.13 0.41 0.00 -1.84 0.00 0.00 35.03 32.65 2pqv n LYS 122 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pqv h LEU 123 N 1.06 0.43 0.00 -0.35 3.38 -1.44 -0.06 115.31 118.33 2pqv h LEU 123 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pqv h LEU 123 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pqv h LEU 123 CO 0.00 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.89 2pqv n GLN 124 N -4.43 0.03 -0.29 1.13 6.02 -1.26 -2.68 117.38 115.90 2pqv n GLN 124 Ca 0.02 0.34 0.07 0.00 -0.01 0.00 0.00 57.00 57.42 2pqv n GLN 124 Cb 0.11 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.07 2pqv n GLN 124 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2pqv n ASN 125 N -1.43 3.34 -4.27 1.08 4.13 -0.04 -4.96 115.26 113.11 2pqv n ASN 125 Ca 0.02 -2.35 -0.19 0.00 1.68 0.00 0.00 54.58 53.74 2pqv n ASN 125 Cb 0.06 -0.35 -0.11 0.00 -1.54 0.00 0.00 39.78 37.84 2pqv n ASN 125 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pqv s ILE 126 N -1.63 1.49 -1.42 2.41 -4.36 -1.09 -5.06 121.20 111.54 2pqv s ILE 126 Ca 0.31 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.73 2pqv s ILE 126 Cb 0.20 -1.68 0.06 0.00 1.25 0.00 0.00 42.46 42.30 2pqv s ILE 126 CO 0.14 -0.42 2.14 1.67 0.24 0.00 0.00 174.94 178.71 2pqv n GLN 127 N 0.35 3.00 -2.91 0.37 7.27 -1.26 -4.95 117.38 119.25 2pqv n GLN 127 Ca -0.14 -2.80 -0.40 0.00 0.07 0.00 0.00 57.00 53.73 2pqv n GLN 127 Cb 0.57 -3.24 -0.05 0.00 2.41 0.00 0.00 30.24 29.93 2pqv n GLN 127 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2pqv s LEU 128 N 1.94 4.52 -0.00 1.69 2.96 -1.26 -0.68 118.68 127.85 2pqv s LEU 128 Ca 0.46 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 56.06 2pqv s LEU 128 Cb 0.13 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 2pqv s LEU 128 CO -0.06 0.07 -0.18 0.68 -1.32 0.00 0.00 176.35 175.54 2pqv s VAL 129 N -0.48 1.40 0.43 1.68 -7.23 -0.28 -4.21 120.40 111.71 2pqv s VAL 129 Ca 0.40 -0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 2pqv s VAL 129 Cb -0.22 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2pqv s VAL 129 CO 0.26 0.35 0.72 -2.16 -0.31 0.00 0.00 175.10 173.96 2pqv s PRO 130 N -0.55 3.58 -0.06 4.82 0.04 -1.26 -4.02 135.00 137.55 2pqv s PRO 130 Ca 0.07 0.14 0.20 0.00 0.04 0.00 0.00 61.00 61.44 2pqv s PRO 130 Cb -0.07 -2.45 -0.30 0.00 0.04 0.00 0.00 34.50 31.71 2pqv s PRO 130 CO -0.00 -0.08 0.37 1.33 0.04 0.00 0.00 177.00 178.66 2pqv n VAL 131 N -1.90 0.30 -0.01 -0.36 0.24 -1.26 -2.36 118.33 112.98 2pqv n VAL 131 Ca -0.00 -0.55 0.20 0.00 -2.04 0.00 0.00 64.34 61.94 2pqv n VAL 131 Cb 0.55 -0.09 0.68 0.00 -1.47 0.00 0.00 33.84 33.51 2pqv n VAL 131 CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 2pqv h PHE 132 N 0.00 0.04 -0.17 6.34 -0.00 -1.99 -1.99 116.94 119.17 2pqv h PHE 132 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.85 2pqv h PHE 132 Cb 1.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 37.16 2pqv h PHE 132 CO 0.00 0.01 0.08 -0.07 -0.00 0.00 0.00 178.31 178.33 2pqv h LEU 133 N 0.03 0.20 -1.61 2.10 3.38 -1.85 -0.22 115.31 117.35 2pqv h LEU 133 Ca 0.26 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.31 2pqv h LEU 133 Cb 1.01 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2pqv h LEU 133 CO -0.01 0.17 0.40 0.11 0.09 0.00 0.00 178.44 179.20 2pqv h LYS 134 N 0.23 0.44 0.00 1.13 1.57 -1.58 -1.44 116.57 116.92 2pqv h LYS 134 Ca 0.06 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 2pqv h LYS 134 Cb 0.03 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2pqv h LYS 134 CO -0.01 0.29 -2.21 0.25 -0.57 0.00 0.00 179.45 177.21 2pqv n THR 135 N -4.47 1.21 -0.01 -0.16 -2.24 -1.11 -4.21 114.28 103.29 2pqv n THR 135 Ca 0.09 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2pqv n THR 135 Cb 0.33 -1.30 0.05 0.00 -2.10 0.00 0.00 70.33 67.32 2pqv n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqv h ALA 136 N -0.07 0.70 0.11 6.98 0.00 -0.90 -2.76 119.26 123.31 2pqv h ALA 136 Ca -0.48 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 2pqv h ALA 136 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2pqv h ALA 136 CO -0.10 0.68 -0.05 1.25 0.00 0.00 0.00 179.25 181.03 2pqv h LEU 137 N 0.46 -0.12 -1.98 0.00 5.85 -1.47 -2.02 115.31 116.02 2pqv h LEU 137 Ca 0.01 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2pqv h LEU 137 Cb 1.07 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2pqv h LEU 137 CO 0.10 0.36 -0.10 1.55 -0.34 0.00 0.00 178.44 180.01 2pqv h PRO 138 N -0.64 0.00 -0.00 5.25 0.13 -1.75 -1.82 132.00 133.17 2pqv h PRO 138 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2pqv h PRO 138 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2pqv h PRO 138 CO 0.02 0.10 -0.08 -0.25 -0.23 0.00 0.00 178.00 177.57 2pqv n ASP 139 N -3.76 0.31 -4.77 1.44 8.00 -1.04 -4.96 116.55 111.77 2pqv n ASP 139 Ca -0.02 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.63 2pqv n ASP 139 Cb 0.21 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 2pqv n ASP 139 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2pqv s TRP 140 N -2.50 2.80 -0.20 1.24 -0.00 -0.69 -4.93 118.94 114.65 2pqv s TRP 140 Ca 0.29 1.22 0.11 0.00 -0.00 0.00 0.00 56.10 57.72 2pqv s TRP 140 Cb 0.20 -3.89 0.23 0.00 -0.00 0.00 0.00 33.47 30.02 2pqv s TRP 140 CO 0.47 -2.60 1.16 0.39 -0.00 0.00 0.00 176.95 176.37 2pqv n GLU 141 N 0.85 2.32 -0.33 5.86 1.02 -1.26 -4.98 120.64 124.11 2pqv n GLU 141 Ca 0.02 -2.20 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 2pqv n GLU 141 Cb 0.40 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2pqv n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pqv n GLY 142 N -0.73 0.69 3.34 0.62 0.00 -1.26 -5.06 105.19 102.79 2pqv n GLY 142 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2pqv n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pqv s GLN 143 N -0.65 2.59 0.04 1.61 -1.52 -1.26 -5.08 119.66 115.39 2pqv s GLN 143 Ca 0.00 -0.83 -0.37 0.00 -1.95 0.00 0.00 55.36 52.21 2pqv s GLN 143 Cb 0.00 -2.27 -0.17 0.00 -0.22 0.00 0.00 33.01 30.36 2pqv s GLN 143 CO 0.00 0.45 1.38 -0.11 -0.25 0.00 0.00 175.29 176.76 2pqv n LEU 144 N 2.79 1.69 -4.25 2.90 7.94 -1.26 -4.95 117.00 121.87 2pqv n LEU 144 Ca -0.17 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.58 2pqv n LEU 144 Cb 0.52 -1.18 -0.15 0.00 0.53 0.00 0.00 43.42 43.14 2pqv n LEU 144 CO 0.26 -0.99 -0.53 -0.13 -1.11 0.00 0.00 177.39 174.89 2pqv s ARG 145 N 0.83 1.55 -0.21 1.96 0.52 -0.52 -5.02 118.95 118.08 2pqv s ARG 145 Ca 0.86 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 55.04 2pqv s ARG 145 Cb -0.98 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 2pqv s ARG 145 CO 0.49 0.42 0.38 -1.58 0.02 0.00 0.00 175.30 175.03 2pqv s HIS 146 N -0.68 3.37 -0.31 -0.53 5.65 -1.26 -1.57 115.29 119.95 2pqv s HIS 146 Ca 0.08 0.58 -0.10 0.00 0.25 0.00 0.00 55.06 55.87 2pqv s HIS 146 Cb -0.09 -2.50 -0.01 0.00 -1.18 0.00 0.00 32.58 28.80 2pqv s HIS 146 CO 0.01 -0.01 0.16 0.42 -0.65 0.00 0.00 174.74 174.67 2pqv s ILE 147 N 1.30 4.67 0.34 0.89 -1.09 -0.14 -4.97 121.20 122.19 2pqv s ILE 147 Ca 0.18 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 2pqv s ILE 147 Cb -0.15 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2pqv s ILE 147 CO 0.08 0.06 0.48 -1.38 -1.23 0.00 0.00 174.94 172.95 2pqv s HIS 148 N 1.62 3.21 0.37 3.97 -3.43 -1.26 -1.05 115.29 118.72 2pqv s HIS 148 Ca 0.05 -0.09 -0.25 0.00 -0.80 0.00 0.00 55.06 53.97 2pqv s HIS 148 Cb -0.17 -1.96 -0.09 0.00 -1.43 0.00 0.00 32.58 28.92 2pqv s HIS 148 CO 0.07 0.02 1.03 -0.51 -2.00 0.00 0.00 174.74 173.34 2pqv s LEU 149 N -4.20 4.22 0.00 5.38 1.43 -1.26 -4.83 118.68 119.41 2pqv s LEU 149 Ca 0.43 2.00 0.18 0.00 -1.03 0.00 0.00 54.13 55.71 2pqv s LEU 149 Cb -0.09 -4.11 1.06 0.00 0.03 0.00 0.00 46.19 43.08 2pqv s LEU 149 CO 0.32 -0.36 1.46 -1.84 0.23 0.00 0.00 176.35 176.16