#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5m n SER 2 N 0.00 0.00 -3.51 3.17 3.41 -1.26 -4.99 113.62 110.44 2h5m n SER 2 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 2h5m n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2h5m n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2h5m s ASN 3 N -3.08 -0.53 -1.48 4.04 3.84 -1.26 -5.06 114.94 111.41 2h5m s ASN 3 Ca 0.00 0.37 -0.09 0.00 0.21 0.00 0.00 52.86 53.35 2h5m s ASN 3 Cb 0.00 0.48 0.02 0.00 -0.55 0.00 0.00 41.25 41.20 2h5m s ASN 3 CO 0.00 -0.64 2.56 0.18 -2.79 0.00 0.00 177.10 176.41 2h5m n LEU 4 N 0.39 8.02 -4.87 3.21 4.32 -1.26 -4.62 117.00 122.20 2h5m n LEU 4 Ca -0.15 -4.51 -0.35 0.00 -0.02 0.00 0.00 56.01 50.98 2h5m n LEU 4 Cb 0.60 -1.51 -0.05 0.00 -1.62 0.00 0.00 43.42 40.83 2h5m n LEU 4 CO 0.17 1.83 0.08 -1.61 -1.22 0.00 0.00 177.39 176.65 2h5m s GLU 5 N 1.21 3.77 -0.82 3.23 0.41 -1.26 -5.02 118.70 120.22 2h5m s GLU 5 Ca 0.58 0.19 -0.26 0.00 -0.41 0.00 0.00 54.97 55.07 2h5m s GLU 5 Cb 0.16 -3.00 0.03 0.00 -1.78 0.00 0.00 34.13 29.55 2h5m s GLU 5 CO -0.07 0.56 1.36 0.42 -0.49 0.00 0.00 175.26 177.04 2h5m s ILE 6 N -1.39 3.76 -0.30 -1.63 1.01 -1.26 -4.58 121.20 116.81 2h5m s ILE 6 Ca 0.33 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 2h5m s ILE 6 Cb -0.14 -4.92 -0.01 0.00 0.01 0.00 0.00 42.46 37.40 2h5m s ILE 6 CO 0.18 -1.84 0.60 -0.54 0.00 0.00 0.00 174.94 173.34 2h5m s LYS 7 N 5.58 3.90 -0.14 2.79 -0.14 -0.84 -4.96 119.74 125.93 2h5m s LYS 7 Ca 0.40 0.25 -0.17 0.00 -1.36 0.00 0.00 55.97 55.09 2h5m s LYS 7 Cb -0.06 -3.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 2h5m s LYS 7 CO 0.08 -0.55 0.43 1.14 -0.76 0.00 0.00 175.35 175.69 2h5m s GLN 8 N 2.54 4.29 0.00 1.68 -2.07 -1.26 -0.21 119.66 124.63 2h5m s GLN 8 Ca 0.24 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 2h5m s GLN 8 Cb -0.15 -3.45 0.00 0.00 -1.09 0.00 0.00 33.01 28.31 2h5m s GLN 8 CO 0.12 0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 2h5m n GLY 9 N 3.42 4.84 3.56 2.60 0.00 0.74 -4.95 105.19 115.40 2h5m n GLY 9 Ca -0.08 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 2h5m n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h5m s GLU 10 N 2.23 1.72 -1.45 1.61 -6.30 -1.26 -2.85 118.70 112.40 2h5m s GLU 10 Ca 0.00 0.31 -0.08 0.00 -2.50 0.00 0.00 54.97 52.70 2h5m s GLU 10 Cb 0.00 -4.84 0.05 0.00 0.00 0.00 0.00 34.13 29.34 2h5m s GLU 10 CO 0.00 -4.36 0.82 0.09 0.02 0.00 0.00 175.26 171.83 2h5m n ASN 11 N 18.03 -3.00 -3.91 -1.70 3.02 -1.26 -4.87 115.26 121.57 2h5m n ASN 11 Ca 0.46 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 54.09 2h5m n ASN 11 Cb 0.44 -3.79 -0.04 0.00 -0.61 0.00 0.00 39.78 35.78 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2h5m s LYS 12 N -6.41 1.57 -0.10 3.52 -2.85 -1.13 -2.05 119.74 112.28 2h5m s LYS 12 Ca 0.37 -1.10 -0.01 0.00 -1.00 0.00 0.00 55.97 54.23 2h5m s LYS 12 Cb -0.19 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2h5m s LYS 12 CO 0.84 -0.67 -0.04 -0.06 0.10 0.00 0.00 175.35 175.51 2h5m s PHE 13 N -3.96 1.15 0.06 1.78 0.08 0.21 -0.19 117.98 117.12 2h5m s PHE 13 Ca 0.17 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.73 2h5m s PHE 13 Cb -0.02 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2h5m s PHE 13 CO 0.06 -0.45 -0.12 1.52 -0.10 0.00 0.00 175.22 176.13 2h5m s TYR 14 N 1.82 1.04 -0.03 0.36 1.13 0.71 -0.49 117.35 121.90 2h5m s TYR 14 Ca 0.05 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.26 2h5m s TYR 14 Cb -0.13 -0.60 0.02 0.00 -1.10 0.00 0.00 41.96 40.15 2h5m s TYR 14 CO -0.07 0.01 -0.03 0.42 -2.51 0.00 0.00 175.55 173.37 2h5m s ILE 15 N -1.25 0.37 -2.80 -3.49 1.01 0.34 -1.98 121.20 113.39 2h5m s ILE 15 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2h5m s ILE 15 Cb -0.10 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2h5m s ILE 15 CO 0.02 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2h5m n GLY 16 N 3.85 -0.56 0.11 6.18 0.00 -1.26 0.17 105.19 113.68 2h5m n GLY 16 Ca -0.24 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 2h5m n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2h5m h ASP 17 N 0.00 0.31 -5.28 1.61 1.82 -1.40 -3.42 116.42 110.05 2h5m h ASP 17 Ca 0.00 -0.52 -0.08 0.00 -0.39 0.00 0.00 57.03 56.04 2h5m h ASP 17 Cb 0.00 -0.10 -0.10 0.00 0.68 0.00 0.00 39.33 39.81 2h5m h ASP 17 CO 0.00 1.44 -0.19 -0.62 -1.61 0.00 0.00 179.24 178.26 2h5m s ASP 18 N -6.80 -0.06 0.28 2.28 -1.08 -1.15 -4.89 116.67 105.25 2h5m s ASP 18 Ca -0.11 -0.97 -0.00 0.00 -0.52 0.00 0.00 52.55 50.95 2h5m s ASP 18 Cb 0.07 0.55 0.50 0.00 -1.46 0.00 0.00 42.92 42.58 2h5m s ASP 18 CO 0.83 -1.08 1.85 -0.08 0.52 0.00 0.00 175.17 177.21 2h5m h GLU 19 N 2.32 1.03 0.00 4.34 4.57 -1.99 -1.38 114.58 123.46 2h5m h GLU 19 Ca -0.28 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 57.65 2h5m h GLU 19 Cb 1.25 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2h5m h GLU 19 CO 0.39 0.68 -1.30 -0.97 -1.18 0.00 0.00 179.01 176.63 2h5m h ASN 20 N 1.06 0.00 -1.18 1.04 -1.24 -2.02 -3.33 115.58 109.91 2h5m h ASN 20 Ca 0.47 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.87 2h5m h ASN 20 Cb 0.37 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.19 2h5m h ASN 20 CO -0.23 0.71 0.77 -3.20 -1.29 0.00 0.00 177.43 174.18 2h5m n ASN 21 N -3.03 7.24 -4.70 1.15 2.85 -0.64 -4.95 115.26 113.19 2h5m n ASN 21 Ca -0.09 -3.58 -0.41 0.00 -0.11 0.00 0.00 54.58 50.40 2h5m n ASN 21 Cb 0.88 -1.06 -0.04 0.00 1.24 0.00 0.00 39.78 40.80 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h5m s ALA 22 N -3.19 3.35 -0.88 5.20 0.00 -0.62 -0.95 121.76 124.67 2h5m s ALA 22 Ca 0.54 0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.95 2h5m s ALA 22 Cb 0.42 -3.11 0.76 0.00 0.00 0.00 0.00 23.12 21.19 2h5m s ALA 22 CO -0.15 -0.29 1.62 1.28 0.00 0.00 0.00 175.76 178.22 2h5m n LEU 23 N 4.22 0.43 -3.64 0.00 4.77 0.13 -4.76 117.00 118.15 2h5m n LEU 23 Ca 0.02 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 2h5m n LEU 23 Cb 0.51 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2h5m n LEU 23 CO 0.48 -0.00 0.52 0.00 -1.33 0.00 0.00 177.39 177.06 2h5m s ALA 24 N -3.05 -1.96 -0.12 -1.18 0.00 -0.88 0.50 121.76 115.06 2h5m s ALA 24 Ca 0.11 2.18 -0.06 0.00 0.00 0.00 0.00 51.96 54.19 2h5m s ALA 24 Cb 0.16 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.90 2h5m s ALA 24 CO 0.63 -0.33 0.27 -2.00 0.00 0.00 0.00 175.76 174.33 2h5m s GLU 25 N 1.00 0.21 -0.16 0.00 -6.30 0.68 -0.50 118.70 113.62 2h5m s GLU 25 Ca -0.05 0.64 0.01 0.00 -2.50 0.00 0.00 54.97 53.07 2h5m s GLU 25 Cb -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 34.13 34.03 2h5m s GLU 25 CO -0.11 -0.21 -0.17 -1.50 0.02 0.00 0.00 175.26 173.29 2h5m s ILE 26 N 1.69 1.83 0.03 -3.70 2.07 0.36 -1.22 121.20 122.26 2h5m s ILE 26 Ca -0.06 -0.80 0.04 0.00 -1.41 0.00 0.00 60.65 58.42 2h5m s ILE 26 Cb -0.11 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.77 2h5m s ILE 26 CO -0.09 0.50 -0.07 0.42 -1.91 0.00 0.00 174.94 173.79 2h5m s THR 27 N 1.34 3.60 0.22 4.00 -4.23 0.06 -0.61 115.64 120.02 2h5m s THR 27 Ca 0.04 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2h5m s THR 27 Cb -0.13 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 2h5m s THR 27 CO -0.11 0.33 0.24 -0.72 -0.54 0.00 0.00 174.62 173.82 2h5m s TYR 28 N -1.05 0.93 0.04 3.99 -0.85 -0.87 -2.16 117.35 117.38 2h5m s TYR 28 Ca 0.18 -1.19 -0.17 0.00 -0.52 0.00 0.00 57.07 55.37 2h5m s TYR 28 Cb -0.11 -0.34 0.03 0.00 0.38 0.00 0.00 41.96 41.93 2h5m s TYR 28 CO 0.09 -0.75 0.39 0.50 -1.52 0.00 0.00 175.55 174.26 2h5m s ARG 29 N -4.10 0.89 -0.59 -3.49 6.06 -0.61 -4.75 118.95 112.37 2h5m s ARG 29 Ca 0.34 -0.38 -0.22 0.00 -2.50 0.00 0.00 55.73 52.97 2h5m s ARG 29 Cb 0.05 0.40 0.06 0.00 0.06 0.00 0.00 34.95 35.51 2h5m s ARG 29 CO 0.11 -0.30 0.88 -0.06 -2.50 0.00 0.00 175.30 173.43 2h5m s PHE 30 N -2.44 2.80 0.12 5.12 0.40 -1.26 -0.50 117.98 122.23 2h5m s PHE 30 Ca -0.06 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 2h5m s PHE 30 Cb -0.01 -4.06 -0.10 0.00 0.51 0.00 0.00 43.02 39.36 2h5m s PHE 30 CO -0.02 -1.40 1.39 -0.39 0.70 0.00 0.00 175.22 175.49 2h5m h VAL 31 N 5.97 1.27 0.00 -0.44 -1.51 -1.83 -3.45 116.25 116.26 2h5m h VAL 31 Ca -0.28 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 2h5m h VAL 31 Cb 1.08 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2h5m h VAL 31 CO 1.10 0.58 0.00 -0.67 -1.23 0.00 0.00 177.57 177.35 2h5m n ASP 32 N -4.00 0.00 0.11 4.19 2.03 -1.26 -5.08 116.55 112.55 2h5m n ASP 32 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2h5m n ASP 32 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2h5m n ASP 32 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2h5m n ASN 33 N -0.84 0.14 -0.24 1.67 3.02 -1.26 -4.92 115.26 112.83 2h5m n ASN 33 Ca 0.00 0.38 0.05 0.00 -0.03 0.00 0.00 54.58 54.97 2h5m n ASN 33 Cb 0.00 0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2h5m n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h5m n ASN 34 N -3.41 1.28 -4.62 6.41 3.02 -1.26 -4.96 115.26 111.71 2h5m n ASN 34 Ca 0.00 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 52.99 2h5m n ASN 34 Cb 0.00 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h5m s GLU 35 N -1.21 4.02 -0.25 3.52 8.01 -1.26 -0.13 118.70 131.39 2h5m s GLU 35 Ca 0.08 0.74 -0.07 0.00 0.01 0.00 0.00 54.97 55.73 2h5m s GLU 35 Cb 0.08 -3.72 -0.02 0.00 -4.31 0.00 0.00 34.13 26.16 2h5m s GLU 35 CO 0.21 -0.69 0.07 0.96 0.01 0.00 0.00 175.26 175.82 2h5m s ILE 36 N 3.07 4.25 -0.27 -1.63 -4.36 0.81 -2.20 121.20 120.87 2h5m s ILE 36 Ca 0.35 -0.24 -0.09 0.00 -0.26 0.00 0.00 60.65 60.40 2h5m s ILE 36 Cb -0.14 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2h5m s ILE 36 CO 0.12 0.31 0.14 0.21 0.24 0.00 0.00 174.94 175.96 2h5m s ASN 37 N 1.60 5.64 -0.46 4.36 2.47 0.35 -1.47 114.94 127.43 2h5m s ASN 37 Ca 0.06 -0.11 -0.26 0.00 0.42 0.00 0.00 52.86 52.97 2h5m s ASN 37 Cb -0.15 -2.04 0.03 0.00 -1.45 0.00 0.00 41.25 37.64 2h5m s ASN 37 CO 0.03 -0.05 0.94 -0.63 -3.72 0.00 0.00 177.10 173.68 2h5m s ILE 38 N 1.70 4.45 -0.13 -5.21 1.09 0.27 -1.57 121.20 121.80 2h5m s ILE 38 Ca 0.07 0.79 0.14 0.00 -1.10 0.00 0.00 60.65 60.55 2h5m s ILE 38 Cb -0.16 -4.45 -0.24 0.00 -1.06 0.00 0.00 42.46 36.56 2h5m s ILE 38 CO 0.08 -0.84 0.34 -0.67 -0.10 0.00 0.00 174.94 173.75 2h5m n ASP 39 N 7.21 0.55 -3.92 3.58 2.03 -0.92 -1.31 116.55 123.78 2h5m n ASP 39 Ca 0.07 0.19 -0.23 0.00 0.52 0.00 0.00 54.79 55.34 2h5m n ASP 39 Cb 0.49 0.39 -0.17 0.00 -0.72 0.00 0.00 41.12 41.11 2h5m n ASP 39 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2h5m s HIS 40 N -2.54 1.12 -0.42 -0.67 2.46 -1.20 -3.98 115.29 110.07 2h5m s HIS 40 Ca -0.09 -0.43 0.02 0.00 0.47 0.00 0.00 55.06 55.03 2h5m s HIS 40 Cb 0.07 -0.94 0.14 0.00 -0.13 0.00 0.00 32.58 31.72 2h5m s HIS 40 CO 0.82 -0.31 0.24 0.99 -2.47 0.00 0.00 174.74 174.00 2h5m s THR 41 N 1.17 1.00 -0.11 0.89 2.01 -1.26 -0.76 115.64 118.59 2h5m s THR 41 Ca -0.06 -2.33 0.00 0.00 0.31 0.00 0.00 61.69 59.60 2h5m s THR 41 Cb -0.14 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 2h5m s THR 41 CO -0.02 -0.94 -0.11 -0.83 -0.69 0.00 0.00 174.62 172.04 2h5m s GLY 42 N 0.52 1.59 -0.05 4.40 0.00 -0.36 -4.92 107.32 108.51 2h5m s GLY 42 Ca 0.19 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2h5m s GLY 42 CO -0.01 -0.33 -0.10 0.14 0.00 0.00 0.00 173.10 172.80 2h5m s VAL 43 N 0.02 0.93 -0.19 1.40 1.01 -1.26 -0.23 120.40 122.09 2h5m s VAL 43 Ca -0.03 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 2h5m s VAL 43 Cb -0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2h5m s VAL 43 CO 0.04 0.30 0.93 -0.44 0.00 0.00 0.00 175.10 175.93 2h5m s SER 44 N 0.52 7.04 -0.06 3.32 0.01 0.18 -4.90 113.70 119.81 2h5m s SER 44 Ca -0.10 1.29 0.21 0.00 1.31 0.00 0.00 55.95 58.66 2h5m s SER 44 Cb -0.13 -2.50 0.70 0.00 0.21 0.00 0.00 66.02 64.30 2h5m s SER 44 CO 0.02 -0.51 1.60 -0.90 0.41 0.00 0.00 173.24 173.86 2h5m n ASP 45 N 5.65 4.41 0.00 2.44 5.75 -1.26 -4.32 116.55 129.21 2h5m n ASP 45 Ca 0.08 -2.22 0.06 0.00 -0.01 0.00 0.00 54.79 52.69 2h5m n ASP 45 Cb 0.48 -0.54 0.28 0.00 -1.03 0.00 0.00 41.12 40.30 2h5m n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2h5m n GLU 46 N 1.44 0.13 -0.10 0.11 4.71 -1.26 -1.21 120.64 124.46 2h5m n GLU 46 Ca 0.26 0.21 0.03 0.00 -0.01 0.00 0.00 57.16 57.65 2h5m n GLU 46 Cb 0.76 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.78 2h5m n GLU 46 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2h5m n LEU 47 N -1.33 2.46 0.00 -4.62 4.32 -1.26 -5.09 117.00 111.48 2h5m n LEU 47 Ca 0.05 -1.91 0.00 0.00 -0.02 0.00 0.00 56.01 54.13 2h5m n LEU 47 Cb 0.10 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2h5m n LEU 47 CO 0.09 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 2h5m n GLY 48 N 0.13 0.19 3.23 -0.72 0.00 -0.35 -4.85 105.19 102.82 2h5m n GLY 48 Ca 0.07 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2h5m n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h5m s GLY 49 N 0.00 3.13 -0.47 -0.02 0.00 -1.26 -4.57 107.32 104.12 2h5m s GLY 49 Ca 0.00 -3.82 -0.24 0.00 0.00 0.00 0.00 44.72 40.66 2h5m s GLY 49 CO 0.00 1.26 0.88 1.20 0.00 0.00 0.00 173.10 176.44 2h5m s GLN 50 N -1.24 3.45 -0.50 2.90 1.11 -1.26 -4.90 119.66 119.22 2h5m s GLN 50 Ca 0.29 -0.02 0.02 0.00 0.01 0.00 0.00 55.36 55.66 2h5m s GLN 50 Cb -0.09 -3.95 0.59 0.00 -1.01 0.00 0.00 33.01 28.55 2h5m s GLN 50 CO -0.10 -1.23 1.94 0.41 0.01 0.00 0.00 175.29 176.31 2h5m n GLY 51 N 4.99 4.82 0.24 3.09 0.00 -1.26 -4.53 105.19 112.53 2h5m n GLY 51 Ca 0.04 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2h5m n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2h5m h VAL 52 N 0.98 1.09 -0.53 1.61 2.07 -1.95 -2.23 116.25 117.29 2h5m h VAL 52 Ca 0.61 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.77 2h5m h VAL 52 Cb 2.25 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 2h5m h VAL 52 CO 1.22 0.12 0.35 1.23 0.02 0.00 0.00 177.57 180.50 2h5m h GLY 53 N 0.37 0.64 1.04 2.17 0.00 -1.93 0.17 103.07 105.53 2h5m h GLY 53 Ca 0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2h5m h GLY 53 CO 0.01 0.17 -0.19 0.50 0.00 0.00 0.00 176.54 177.04 2h5m h LYS 54 N 0.54 0.86 -0.49 4.80 1.57 -1.77 -0.99 116.57 121.09 2h5m h LYS 54 Ca 0.22 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 2h5m h LYS 54 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2h5m h LYS 54 CO -0.06 1.01 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.40 2h5m h LYS 55 N 0.68 1.00 -0.26 3.15 3.64 -1.31 -1.76 116.57 121.71 2h5m h LYS 55 Ca 0.09 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2h5m h LYS 55 Cb 0.75 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2h5m h LYS 55 CO 0.06 1.11 0.11 -0.07 -2.27 0.00 0.00 179.45 178.38 2h5m h LEU 56 N 0.86 0.37 -1.18 5.20 3.38 -0.58 -2.17 115.31 121.18 2h5m h LEU 56 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2h5m h LEU 56 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2h5m h LEU 56 CO 0.07 0.43 0.05 0.25 0.09 0.00 0.00 178.44 179.32 2h5m h LEU 57 N 0.28 0.57 -0.67 1.67 5.85 -1.12 -1.93 115.31 119.96 2h5m h LEU 57 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2h5m h LEU 57 Cb 0.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2h5m h LEU 57 CO -0.01 0.61 0.42 0.50 -0.34 0.00 0.00 178.44 179.63 2h5m h LYS 58 N 0.59 0.90 -0.33 1.25 3.64 -0.96 0.14 116.57 121.80 2h5m h LYS 58 Ca 0.13 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2h5m h LYS 58 Cb 0.31 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2h5m h LYS 58 CO 0.01 0.62 -0.10 0.00 -2.27 0.00 0.00 179.45 177.71 2h5m h ALA 59 N 1.23 1.21 -0.27 5.00 0.00 -0.88 -0.15 119.26 125.40 2h5m h ALA 59 Ca 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2h5m h ALA 59 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2h5m h ALA 59 CO -0.05 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 179.96 2h5m h VAL 60 N 0.52 1.27 -0.41 0.00 2.07 -0.58 -0.39 116.25 118.74 2h5m h VAL 60 Ca 0.10 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2h5m h VAL 60 Cb 0.49 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2h5m h VAL 60 CO 0.03 0.32 0.26 0.58 0.02 0.00 0.00 177.57 178.77 2h5m h VAL 61 N 0.27 1.08 -0.13 2.57 2.07 -0.38 0.23 116.25 121.96 2h5m h VAL 61 Ca 0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2h5m h VAL 61 Cb 0.48 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2h5m h VAL 61 CO 0.02 0.10 0.09 -0.33 0.02 0.00 0.00 177.57 177.47 2h5m h GLU 62 N 0.53 0.18 -0.55 1.57 5.08 -0.94 -0.46 114.58 119.99 2h5m h GLU 62 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2h5m h GLU 62 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2h5m h GLU 62 CO -0.05 0.12 0.18 1.25 -1.00 0.00 0.00 179.01 179.52 2h5m h HIS 63 N 0.18 0.83 -0.43 4.33 2.76 -0.72 -1.96 115.15 120.14 2h5m h HIS 63 Ca 0.05 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2h5m h HIS 63 Cb -0.02 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 2h5m h HIS 63 CO -0.07 0.67 0.12 0.00 -1.30 0.00 0.00 177.93 177.35 2h5m h ALA 64 N 1.40 0.57 -0.21 5.26 0.00 -0.10 -2.46 119.26 123.71 2h5m h ALA 64 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2h5m h ALA 64 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2h5m h ALA 64 CO -0.01 0.23 0.03 -0.09 0.00 0.00 0.00 179.25 179.40 2h5m h ARG 65 N 0.56 0.31 -0.22 0.00 9.65 -0.63 0.39 114.38 124.43 2h5m h ARG 65 Ca 0.14 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 2h5m h ARG 65 Cb 0.28 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2h5m h ARG 65 CO -0.00 0.31 -0.25 0.93 2.80 0.00 0.00 179.97 183.76 2h5m h GLU 66 N 0.30 0.42 -0.39 0.20 5.08 -0.92 -2.98 114.58 116.30 2h5m h GLU 66 Ca 0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2h5m h GLU 66 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2h5m h GLU 66 CO 0.00 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 2h5m n ASN 67 N -4.13 3.05 -3.51 1.42 3.02 -0.81 -4.96 115.26 109.33 2h5m n ASN 67 Ca -0.00 -1.97 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 2h5m n ASN 67 Cb 0.40 -0.26 0.04 0.00 -0.61 0.00 0.00 39.78 39.34 2h5m n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h5m n ASN 68 N 0.72 -5.50 -4.87 6.41 5.15 0.98 -4.96 115.26 113.19 2h5m n ASN 68 Ca 0.14 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.28 2h5m n ASN 68 Cb 0.45 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2h5m s LEU 69 N -7.03 3.35 -0.19 1.20 1.43 0.90 -4.99 118.68 113.35 2h5m s LEU 69 Ca 0.51 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.90 2h5m s LEU 69 Cb -0.24 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.58 2h5m s LEU 69 CO 0.63 -0.78 0.03 -0.54 0.23 0.00 0.00 176.35 175.92 2h5m s LYS 70 N -4.96 3.80 -0.13 1.70 3.01 0.81 -4.69 119.74 119.28 2h5m s LYS 70 Ca 0.54 -0.44 -0.13 0.00 -1.01 0.00 0.00 55.97 54.93 2h5m s LYS 70 Cb -0.11 -3.12 -0.05 0.00 -1.01 0.00 0.00 37.83 33.54 2h5m s LYS 70 CO 0.50 0.17 0.29 0.42 0.51 0.00 0.00 175.35 177.23 2h5m s ILE 71 N 0.62 5.29 0.06 2.17 1.01 0.67 -0.13 121.20 130.89 2h5m s ILE 71 Ca 0.01 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 2h5m s ILE 71 Cb -0.14 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2h5m s ILE 71 CO 0.02 0.45 0.10 0.27 0.00 0.00 0.00 174.94 175.77 2h5m s ILE 72 N 0.06 0.16 -0.18 2.92 -4.36 -0.54 -2.02 121.20 117.23 2h5m s ILE 72 Ca 0.17 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 59.13 2h5m s ILE 72 Cb -0.13 -1.21 0.05 0.00 1.25 0.00 0.00 42.46 42.42 2h5m s ILE 72 CO 0.05 -0.72 0.45 0.00 0.24 0.00 0.00 174.94 174.96 2h5m s ALA 73 N -3.38 -1.15 -0.14 2.27 0.00 -1.26 -0.56 121.76 117.54 2h5m s ALA 73 Ca 0.02 1.51 0.17 0.00 0.00 0.00 0.00 51.96 53.66 2h5m s ALA 73 Cb 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.16 2h5m s ALA 73 CO -0.08 -0.26 0.95 0.66 0.00 0.00 0.00 175.76 177.03 2h5m h SER 74 N 6.43 0.00 -2.83 0.00 4.64 -1.51 -3.43 113.55 116.86 2h5m h SER 74 Ca -0.32 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.44 2h5m h SER 74 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2h5m h SER 74 CO 0.25 0.52 0.93 0.00 -0.87 0.00 0.00 176.83 177.66 2h5m h SER 76 N 8.49 0.86 0.53 0.00 0.02 -1.91 0.16 113.55 121.69 2h5m h SER 76 Ca -0.33 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2h5m h SER 76 Cb 1.14 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.55 2h5m h SER 76 CO 0.95 0.48 -0.25 0.15 -1.14 0.00 0.00 176.83 177.01 2h5m h PHE 77 N 0.93 -0.65 -0.58 3.45 3.57 -1.93 0.57 116.94 122.30 2h5m h PHE 77 Ca 0.46 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 2h5m h PHE 77 Cb 0.47 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2h5m h PHE 77 CO -0.00 -0.36 0.20 0.00 -2.23 0.00 0.00 178.31 175.92 2h5m h ALA 78 N -0.41 0.76 -0.29 2.41 0.00 -1.85 -1.33 119.26 118.55 2h5m h ALA 78 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2h5m h ALA 78 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2h5m h ALA 78 CO 0.12 0.41 0.19 -0.22 0.00 0.00 0.00 179.25 179.74 2h5m h LYS 79 N 0.81 0.39 0.00 0.00 3.11 -0.66 -2.28 116.57 117.94 2h5m h LYS 79 Ca 0.19 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.92 2h5m h LYS 79 Cb 0.25 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2h5m h LYS 79 CO -0.01 0.27 -0.39 1.25 -2.81 0.00 0.00 179.45 177.76 2h5m h HIS 80 N 0.39 0.00 -0.64 1.91 2.76 -0.72 -2.08 115.15 116.76 2h5m h HIS 80 Ca 0.11 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2h5m h HIS 80 Cb -0.03 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2h5m h HIS 80 CO -0.05 0.39 0.21 1.98 -1.30 0.00 0.00 177.93 179.16 2h5m h MET 81 N 0.00 0.97 -0.07 5.26 1.85 -0.70 0.18 114.93 122.42 2h5m h MET 81 Ca -0.00 -0.18 -0.16 0.00 -0.61 0.00 0.00 59.70 58.74 2h5m h MET 81 Cb 0.70 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 2h5m h MET 81 CO 0.05 0.82 -0.66 -0.07 -0.40 0.00 0.00 176.91 176.65 2h5m h LEU 82 N 0.94 0.32 -1.04 3.39 3.38 -0.98 -2.66 115.31 118.66 2h5m h LEU 82 Ca 0.21 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2h5m h LEU 82 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2h5m h LEU 82 CO -0.01 0.89 -0.46 -0.33 0.09 0.00 0.00 178.44 178.62 2h5m h GLU 83 N 0.20 0.00 0.00 1.13 5.08 -0.80 -2.73 114.58 117.45 2h5m h GLU 83 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2h5m h GLU 83 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2h5m h GLU 83 CO 0.11 0.46 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.04 2h5m h LYS 84 N 0.00 0.00 -4.22 2.33 3.64 -0.73 -3.40 116.57 114.20 2h5m h LYS 84 Ca -0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.67 2h5m h LYS 84 Cb 0.85 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.33 2h5m h LYS 84 CO 0.06 0.32 -0.47 -2.00 -2.27 0.00 0.00 179.45 175.09 2h5m s GLU 85 N -3.32 2.24 0.49 1.90 2.56 -1.03 -4.92 118.70 116.61 2h5m s GLU 85 Ca 0.03 -2.01 0.17 0.00 0.00 0.00 0.00 54.97 53.16 2h5m s GLU 85 Cb 0.09 -3.69 1.19 0.00 2.00 0.00 0.00 34.13 33.72 2h5m s GLU 85 CO 0.69 -1.12 2.07 0.22 -0.56 0.00 0.00 175.26 176.55 2h5m h ASP 86 N 7.84 0.00 0.65 -1.70 3.58 -1.78 -1.06 116.42 123.95 2h5m h ASP 86 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2h5m h ASP 86 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2h5m h ASP 86 CO 0.73 0.11 0.00 -1.20 -2.88 0.00 0.00 179.24 175.99 2h5m n SER 87 N -4.30 0.28 -0.81 2.28 7.64 -1.26 -2.04 113.62 115.42 2h5m n SER 87 Ca -0.03 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.54 2h5m n SER 87 Cb 0.18 -0.62 0.29 0.00 -1.01 0.00 0.00 64.21 63.05 2h5m n SER 87 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2h5m n TYR 88 N -1.80 0.17 1.63 1.43 4.02 -0.40 -4.14 117.16 118.07 2h5m n TYR 88 Ca 0.03 -0.09 0.08 0.00 -0.01 0.00 0.00 57.90 57.92 2h5m n TYR 88 Cb 0.21 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.02 2h5m n TYR 88 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2h5m n GLN 89 N 0.88 0.82 0.15 -0.72 6.02 -0.86 -1.45 117.38 122.21 2h5m n GLN 89 Ca 0.17 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.19 2h5m n GLN 89 Cb 0.48 -1.31 0.10 0.00 1.02 0.00 0.00 30.24 30.53 2h5m n GLN 89 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2h5m h ASP 90 N 0.00 0.00 0.00 1.08 2.03 -1.81 -3.35 116.42 114.36 2h5m h ASP 90 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2h5m h ASP 90 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2h5m h ASP 90 CO 0.00 0.50 -1.10 1.33 -1.03 0.00 0.00 179.24 178.95 2h5m n VAL 91 N -3.31 0.09 -2.75 4.15 0.24 -1.10 -5.02 118.33 110.64 2h5m n VAL 91 Ca 0.01 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 2h5m n VAL 91 Cb 0.69 -0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 2h5m n VAL 91 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2h5m s TYR 92 N -2.04 3.89 -1.37 6.34 5.04 -0.53 -0.24 117.35 128.44 2h5m s TYR 92 Ca -0.01 1.85 -0.14 0.00 -2.44 0.00 0.00 57.07 56.33 2h5m s TYR 92 Cb 0.00 -3.01 -0.01 0.00 0.35 0.00 0.00 41.96 39.29 2h5m s TYR 92 CO 0.06 0.33 2.31 1.28 -1.34 0.00 0.00 175.55 178.19 2h5m n LEU 93 N 2.18 6.74 -0.06 6.97 4.77 -0.86 -4.33 117.00 132.42 2h5m n LEU 93 Ca 0.00 -3.96 -0.04 0.00 -0.03 0.00 0.00 56.01 51.98 2h5m n LEU 93 Cb 0.48 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.90 2h5m n LEU 93 CO 0.50 1.06 -0.95 0.61 -1.33 0.00 0.00 177.39 177.29 2h5m n GLY 94 N 4.06 -0.77 3.48 -0.72 0.00 -1.26 -4.78 105.19 105.19 2h5m n GLY 94 Ca 0.56 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2h5m n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2h5m s LEU 95 N -4.95 4.74 -0.17 0.99 0.05 -1.26 -4.78 118.68 113.30 2h5m s LEU 95 Ca -0.07 -2.30 -0.15 0.00 0.05 0.00 0.00 54.13 51.65 2h5m s LEU 95 Cb 0.06 -2.44 -0.11 0.00 -2.05 0.00 0.00 46.19 41.65 2h5m s LEU 95 CO 0.65 -1.03 0.05 1.05 -0.55 0.00 0.00 176.35 176.52 2h5m h GLU 96 N 8.32 0.00 0.00 1.48 -0.00 -1.97 -3.50 114.58 118.91 2h5m h GLU 96 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 2h5m h GLU 96 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.71 2h5m h GLU 96 CO 1.22 0.51 0.00 -2.39 -0.00 0.00 0.00 179.01 178.36 2h5m n HIS 97 N -4.54 0.00 0.04 2.06 1.44 -1.26 -5.00 115.22 107.96 2h5m n HIS 97 Ca -0.19 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.33 2h5m n HIS 97 Cb 0.46 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.42 2h5m n HIS 97 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2h5m h HIS 98 N 0.00 0.50 -2.88 -1.40 2.07 -1.95 -3.50 115.15 107.98 2h5m h HIS 98 Ca 0.00 -0.37 0.32 0.00 -2.85 0.00 0.00 60.37 57.47 2h5m h HIS 98 Cb 0.00 -0.02 -0.08 0.00 2.57 0.00 0.00 27.41 29.88 2h5m h HIS 98 CO 0.00 1.56 -0.42 0.72 -3.07 0.00 0.00 177.93 176.72 2h5m n HIS 99 N -3.46 -3.33 0.00 6.12 -0.00 -1.26 -4.79 115.22 108.49 2h5m n HIS 99 Ca -0.24 1.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.94 2h5m n HIS 99 Cb 1.06 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.39 2h5m n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2h5m n HIS 100 N -3.76 0.00 0.08 4.41 -0.00 -1.26 -4.39 115.22 110.30 2h5m n HIS 100 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2h5m n HIS 100 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2h5m n HIS 100 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2h5m n HIS 101 N 0.00 -3.04 1.97 1.57 -0.00 -1.26 -5.24 115.22 109.22 2h5m n HIS 101 Ca 0.00 0.51 0.16 0.00 0.46 0.00 0.00 57.72 58.85 2h5m n HIS 101 Cb 0.00 1.58 0.92 0.00 -0.12 0.00 0.00 29.99 32.38 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38