#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 -3.77 3.17 3.41 -1.26 -5.04 113.62 110.13 2h5m n SER 2 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2h5m n SER 2 Cb 0.00 0.08 -0.11 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 0.83 -0.30 -1.41 4.04 3.84 -1.26 -5.07 114.94 115.61 2h5m s ASN 3 Ca 0.00 0.59 -0.15 0.00 0.21 0.00 0.00 52.86 53.51 2h5m s ASN 3 Cb 0.00 0.59 0.03 0.00 -0.55 0.00 0.00 41.25 41.32 2h5m s ASN 3 CO 0.00 -0.11 2.15 0.18 -2.79 0.00 0.00 177.10 176.53 2h5m n LEU 4 N 3.02 6.47 -4.85 3.21 4.32 -1.26 -4.86 117.00 123.05 2h5m n LEU 4 Ca -0.14 -4.05 -0.36 0.00 -0.02 0.00 0.00 56.01 51.45 2h5m n LEU 4 Cb 0.58 -1.65 -0.06 0.00 -1.62 0.00 0.00 43.42 40.67 2h5m n LEU 4 CO 0.16 0.90 0.14 -1.61 -1.22 0.00 0.00 177.39 175.76 2h5m s GLU 5 N 3.44 3.88 -0.82 3.23 0.41 -1.26 -5.00 118.70 122.58 2h5m s GLU 5 Ca 0.49 0.35 -0.25 0.00 -0.41 0.00 0.00 54.97 55.14 2h5m s GLU 5 Cb 0.13 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2h5m s GLU 5 CO -0.06 0.57 1.63 0.42 -0.49 0.00 0.00 175.26 177.33 2h5m s ILE 6 N -1.33 3.62 -0.06 -1.63 1.01 -1.26 -4.62 121.20 116.93 2h5m s ILE 6 Ca 0.32 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.62 2h5m s ILE 6 Cb -0.15 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 2h5m s ILE 6 CO 0.17 -1.43 0.68 -0.54 0.00 0.00 0.00 174.94 173.82 2h5m s LYS 7 N 6.17 4.43 0.00 2.79 -0.14 -0.67 -4.95 119.74 127.38 2h5m s LYS 7 Ca 0.54 0.85 0.02 0.00 -1.36 0.00 0.00 55.97 56.02 2h5m s LYS 7 Cb -0.07 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 2h5m s LYS 7 CO 0.06 0.10 -0.02 1.14 -0.76 0.00 0.00 175.35 175.87 2h5m s GLN 8 N 0.68 2.70 0.00 1.68 -2.07 -1.26 -0.18 119.66 121.21 2h5m s GLN 8 Ca 0.36 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.25 2h5m s GLN 8 Cb -0.18 -2.61 0.00 0.00 -1.09 0.00 0.00 33.01 29.13 2h5m s GLN 8 CO 0.18 0.61 0.00 0.41 -1.32 0.00 0.00 175.29 175.17 2h5m n GLY 9 N 1.41 5.90 3.56 2.60 0.00 0.55 -4.97 105.19 114.24 2h5m n GLY 9 Ca -0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 1.50 1.91 -1.48 1.61 -6.30 -1.26 -2.81 118.70 111.87 2h5m s GLU 10 Ca 0.00 0.25 -0.10 0.00 -2.50 0.00 0.00 54.97 52.62 2h5m s GLU 10 Cb 0.00 -4.87 0.06 0.00 0.00 0.00 0.00 34.13 29.33 2h5m s GLU 10 CO 0.00 -4.09 0.92 0.09 0.02 0.00 0.00 175.26 172.20 2h5m n ASN 11 N 17.12 -3.96 -3.86 -1.70 3.02 -1.26 -4.91 115.26 119.71 2h5m n ASN 11 Ca 0.44 -0.79 -0.10 0.00 -0.03 0.00 0.00 54.58 54.11 2h5m n ASN 11 Cb 0.45 -3.93 -0.06 0.00 -0.61 0.00 0.00 39.78 35.63 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 -6.48 1.18 -0.02 3.52 -2.85 -1.12 -2.65 119.74 111.32 2h5m s LYS 12 Ca 0.51 -1.03 0.03 0.00 -1.00 0.00 0.00 55.97 54.47 2h5m s LYS 12 Cb -0.25 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 2h5m s LYS 12 CO 0.83 -0.45 -0.10 -0.06 0.10 0.00 0.00 175.35 175.66 2h5m s PHE 13 N -3.92 1.02 0.08 1.78 0.08 -0.18 -0.33 117.98 116.51 2h5m s PHE 13 Ca 0.13 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.72 2h5m s PHE 13 Cb 0.02 -0.70 0.05 0.00 -0.57 0.00 0.00 43.02 41.82 2h5m s PHE 13 CO -0.03 -0.08 0.51 1.52 -0.10 0.00 0.00 175.22 177.04 2h5m s TYR 14 N 0.03 -0.40 -0.05 0.36 1.13 0.75 -0.27 117.35 118.90 2h5m s TYR 14 Ca -0.01 0.35 -0.00 0.00 -1.41 0.00 0.00 57.07 56.00 2h5m s TYR 14 Cb -0.07 0.36 0.03 0.00 -1.10 0.00 0.00 41.96 41.17 2h5m s TYR 14 CO 0.00 -0.68 -0.00 0.42 -2.51 0.00 0.00 175.55 172.78 2h5m s ILE 15 N -2.88 0.31 -0.05 -3.49 1.01 0.45 -1.67 121.20 114.89 2h5m s ILE 15 Ca -0.03 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 2h5m s ILE 15 Cb -0.00 -0.43 0.12 0.00 0.01 0.00 0.00 42.46 42.15 2h5m s ILE 15 CO -0.05 0.21 1.35 -0.83 0.00 0.00 0.00 174.94 175.62 2h5m s GLY 16 N 1.48 -0.34 0.28 6.18 0.00 -1.26 -1.08 107.32 112.57 2h5m s GLY 16 Ca -0.03 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.27 2h5m s GLY 16 CO -0.03 2.53 1.69 -1.80 0.00 0.00 0.00 173.10 175.49 2h5m h ASP 17 N 2.00 0.38 -5.32 1.64 3.58 -1.85 -3.46 116.42 113.38 2h5m h ASP 17 Ca -0.28 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 56.92 2h5m h ASP 17 Cb 1.19 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 42.03 2h5m h ASP 17 CO 0.30 0.72 -0.22 -0.62 -2.88 0.00 0.00 179.24 176.54 2h5m s ASP 18 N -6.86 0.01 0.24 2.28 2.15 -1.24 -4.84 116.67 108.41 2h5m s ASP 18 Ca -0.06 -1.05 -0.06 0.00 0.43 0.00 0.00 52.55 51.82 2h5m s ASP 18 Cb 0.13 0.55 0.31 0.00 -0.30 0.00 0.00 42.92 43.61 2h5m s ASP 18 CO 0.79 -1.09 1.88 -0.08 -0.17 0.00 0.00 175.17 176.50 2h5m h GLU 19 N 2.32 1.10 0.00 4.34 4.57 -2.01 -1.29 114.58 123.61 2h5m h GLU 19 Ca -0.28 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2h5m h GLU 19 Cb 1.25 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2h5m h GLU 19 CO 0.39 0.73 -0.49 -0.97 -1.18 0.00 0.00 179.01 177.48 2h5m h ASN 20 N 1.13 0.00 -0.91 1.04 -1.24 -1.99 -3.30 115.58 110.31 2h5m h ASN 20 Ca 0.37 -0.01 -0.57 0.00 0.71 0.00 0.00 56.30 56.81 2h5m h ASN 20 Cb 0.04 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 38.85 2h5m h ASN 20 CO -0.13 0.00 0.73 0.59 -1.29 0.00 0.00 177.43 177.33 2h5m n ASN 21 N -2.86 7.28 -4.61 1.15 3.02 -0.51 -4.94 115.26 113.79 2h5m n ASN 21 Ca 0.02 -3.55 -0.43 0.00 -0.03 0.00 0.00 54.58 50.59 2h5m n ASN 21 Cb 0.54 -1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h5m s ALA 22 N -3.15 3.10 0.21 5.41 0.00 -1.05 -2.35 121.76 123.93 2h5m s ALA 22 Ca 0.53 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2h5m s ALA 22 Cb 0.42 -3.91 0.15 0.00 0.00 0.00 0.00 23.12 19.78 2h5m s ALA 22 CO -0.04 -2.27 1.49 -0.07 0.00 0.00 0.00 175.76 174.87 2h5m h LEU 23 N 12.16 0.26 -7.40 0.00 3.38 -1.43 -3.44 115.31 118.83 2h5m h LEU 23 Ca -0.29 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 2h5m h LEU 23 Cb 1.12 -0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.48 2h5m h LEU 23 CO 1.06 0.88 -0.56 0.00 0.09 0.00 0.00 178.44 179.91 2h5m s ALA 24 N -3.54 -0.37 -0.08 1.53 0.00 -0.73 0.18 121.76 118.75 2h5m s ALA 24 Ca -0.03 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 2h5m s ALA 24 Cb 0.11 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.74 2h5m s ALA 24 CO 0.81 -0.18 0.19 -2.00 0.00 0.00 0.00 175.76 174.57 2h5m s GLU 25 N 1.24 0.15 -0.13 0.00 -6.30 0.79 -0.41 118.70 114.03 2h5m s GLU 25 Ca -0.09 0.42 -0.00 0.00 -2.50 0.00 0.00 54.97 52.80 2h5m s GLU 25 Cb -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 34.13 33.91 2h5m s GLU 25 CO -0.07 -0.15 -0.09 -1.50 0.02 0.00 0.00 175.26 173.47 2h5m s ILE 26 N 1.09 1.18 0.02 -3.70 2.07 0.63 -0.06 121.20 122.44 2h5m s ILE 26 Ca -0.08 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 2h5m s ILE 26 Cb -0.10 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 2h5m s ILE 26 CO -0.06 0.37 -0.08 0.42 -1.91 0.00 0.00 174.94 173.68 2h5m s THR 27 N 1.64 3.53 0.29 4.00 -4.23 -0.43 -1.01 115.64 119.44 2h5m s THR 27 Ca 0.05 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2h5m s THR 27 Cb -0.13 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 2h5m s THR 27 CO -0.09 0.36 0.32 -0.72 -0.54 0.00 0.00 174.62 173.95 2h5m s TYR 28 N -1.02 1.26 -0.02 3.99 1.13 -1.08 -3.51 117.35 118.09 2h5m s TYR 28 Ca 0.17 -1.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.15 2h5m s TYR 28 Cb -0.11 -0.39 0.07 0.00 -1.10 0.00 0.00 41.96 40.44 2h5m s TYR 28 CO 0.08 -0.91 0.69 0.50 -2.51 0.00 0.00 175.55 173.40 2h5m s ARG 29 N -3.55 1.06 -0.61 -3.49 6.06 -0.73 -4.74 118.95 112.95 2h5m s ARG 29 Ca 0.35 0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 53.45 2h5m s ARG 29 Cb 0.02 0.50 0.04 0.00 0.06 0.00 0.00 34.95 35.57 2h5m s ARG 29 CO 0.20 -0.36 1.10 -0.06 -2.50 0.00 0.00 175.30 173.68 2h5m s PHE 30 N -1.61 2.62 -0.55 5.12 0.40 -1.26 -0.32 117.98 122.38 2h5m s PHE 30 Ca -0.08 0.10 0.24 0.00 -0.60 0.00 0.00 56.93 56.59 2h5m s PHE 30 Cb -0.00 -4.37 0.41 0.00 0.51 0.00 0.00 43.02 39.57 2h5m s PHE 30 CO 0.06 -1.60 1.46 -0.39 0.70 0.00 0.00 175.22 175.44 2h5m h VAL 31 N 6.07 0.00 0.00 -0.44 -1.51 -1.81 -3.46 116.25 115.11 2h5m h VAL 31 Ca -0.26 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 2h5m h VAL 31 Cb 1.06 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2h5m h VAL 31 CO 1.17 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 176.84 2h5m n ASP 32 N -2.48 0.00 0.08 4.19 -0.08 -1.26 -5.07 116.55 111.95 2h5m n ASP 32 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2h5m n ASP 32 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2h5m n ASP 32 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2h5m n ASN 33 N 0.00 0.49 -0.12 1.67 3.02 -1.26 -4.90 115.26 114.15 2h5m n ASN 33 Ca 0.00 0.27 0.02 0.00 -0.03 0.00 0.00 54.58 54.84 2h5m n ASN 33 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.40 0.97 -4.65 6.41 3.02 -1.26 -4.98 115.26 111.37 2h5m n ASN 34 Ca 0.00 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.15 2h5m n ASN 34 Cb 0.00 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.77 4.21 -0.26 3.52 8.01 -1.26 -0.36 118.70 131.80 2h5m s GLU 35 Ca 0.04 0.98 -0.06 0.00 0.01 0.00 0.00 54.97 55.95 2h5m s GLU 35 Cb 0.04 -3.63 -0.00 0.00 -4.31 0.00 0.00 34.13 26.22 2h5m s GLU 35 CO 0.10 -0.49 0.03 0.96 0.01 0.00 0.00 175.26 175.87 2h5m s ILE 36 N 2.75 3.77 -0.23 -1.63 -4.36 0.86 -2.08 121.20 120.28 2h5m s ILE 36 Ca 0.36 -0.52 -0.16 0.00 -0.26 0.00 0.00 60.65 60.07 2h5m s ILE 36 Cb -0.15 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 2h5m s ILE 36 CO 0.08 0.27 0.42 0.21 0.24 0.00 0.00 174.94 176.16 2h5m s ASN 37 N 1.51 6.40 -0.39 4.36 2.47 0.57 -1.20 114.94 128.65 2h5m s ASN 37 Ca 0.04 0.47 -0.14 0.00 0.42 0.00 0.00 52.86 53.65 2h5m s ASN 37 Cb -0.16 -2.24 0.02 0.00 -1.45 0.00 0.00 41.25 37.42 2h5m s ASN 37 CO 0.00 -0.15 0.28 -0.63 -3.72 0.00 0.00 177.10 172.88 2h5m s ILE 38 N 1.71 5.15 -0.03 -5.21 1.01 0.62 -1.78 121.20 122.67 2h5m s ILE 38 Ca 0.19 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2h5m s ILE 38 Cb -0.15 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2h5m s ILE 38 CO 0.09 -0.26 0.14 -0.67 0.00 0.00 0.00 174.94 174.24 2h5m n ASP 39 N 5.13 3.31 -4.16 3.58 2.03 -1.23 -1.11 116.55 124.10 2h5m n ASP 39 Ca -0.11 -0.06 -0.31 0.00 0.52 0.00 0.00 54.79 54.82 2h5m n ASP 39 Cb 0.47 1.24 -0.17 0.00 -0.72 0.00 0.00 41.12 41.95 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 -2.32 2.40 -0.23 -0.67 2.46 -1.25 -4.24 115.29 111.45 2h5m s HIS 40 Ca -0.02 -1.09 -0.03 0.00 0.47 0.00 0.00 55.06 54.39 2h5m s HIS 40 Cb 0.04 -1.64 0.12 0.00 -0.13 0.00 0.00 32.58 30.96 2h5m s HIS 40 CO 0.24 -0.49 0.32 0.99 -2.47 0.00 0.00 174.74 173.34 2h5m s THR 41 N 0.64 -0.50 -0.10 0.89 2.01 -1.26 -1.32 115.64 116.01 2h5m s THR 41 Ca -0.12 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2h5m s THR 41 Cb -0.16 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 2h5m s THR 41 CO 0.03 -0.16 -0.16 -0.83 -0.69 0.00 0.00 174.62 172.81 2h5m s GLY 42 N 2.46 1.49 -0.03 4.40 0.00 0.91 -4.93 107.32 111.62 2h5m s GLY 42 Ca 0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 2h5m s GLY 42 CO -0.15 -0.42 0.04 0.14 0.00 0.00 0.00 173.10 172.72 2h5m s VAL 43 N -0.01 -0.05 -0.42 1.40 1.01 -1.26 -0.15 120.40 120.92 2h5m s VAL 43 Ca -0.05 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2h5m s VAL 43 Cb -0.14 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2h5m s VAL 43 CO 0.04 0.15 1.07 -0.44 0.00 0.00 0.00 175.10 175.93 2h5m s SER 44 N 1.74 6.70 0.20 3.32 0.01 0.13 -4.87 113.70 120.93 2h5m s SER 44 Ca -0.00 0.58 0.23 0.00 1.31 0.00 0.00 55.95 58.07 2h5m s SER 44 Cb -0.12 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.75 2h5m s SER 44 CO -0.03 -1.09 1.22 -2.24 0.41 0.00 0.00 173.24 171.51 2h5m h ASP 45 N 8.84 0.00 0.89 2.44 2.03 -1.89 -3.26 116.42 125.47 2h5m h ASP 45 Ca -0.23 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2h5m h ASP 45 Cb 1.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2h5m h ASP 45 CO 1.07 0.04 0.00 -0.62 -1.03 0.00 0.00 179.24 178.70 2h5m n GLU 46 N -2.52 0.16 0.07 4.15 1.02 -1.26 -2.64 120.64 119.61 2h5m n GLU 46 Ca 0.02 0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 57.29 2h5m n GLU 46 Cb 0.51 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 2h5m n GLU 46 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2h5m h LEU 47 N 0.00 0.70 0.00 -4.62 5.85 -1.98 -3.48 115.31 111.79 2h5m h LEU 47 Ca 0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2h5m h LEU 47 Cb 0.45 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2h5m h LEU 47 CO 0.00 1.40 0.00 0.61 -0.34 0.00 0.00 178.44 180.11 2h5m n GLY 48 N 1.12 2.03 3.49 3.75 0.00 -1.08 -5.03 105.19 109.46 2h5m n GLY 48 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.34 1.65 0.14 -0.02 0.00 -1.26 -4.79 107.32 100.69 2h5m s GLY 49 Ca 0.00 -2.49 0.14 0.00 0.00 0.00 0.00 44.72 42.37 2h5m s GLY 49 CO 0.00 2.24 1.11 1.46 0.00 0.00 0.00 173.10 177.91 2h5m h GLN 50 N 9.23 0.00 0.00 2.90 7.50 -1.93 -3.28 115.11 129.53 2h5m h GLN 50 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 2h5m h GLN 50 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.55 2h5m h GLN 50 CO 1.22 0.51 0.00 0.41 -1.50 0.00 0.00 178.83 179.47 2h5m n GLY 51 N 1.34 -1.58 0.23 3.46 0.00 -1.26 -3.55 105.19 103.83 2h5m n GLY 51 Ca -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.21 -0.28 1.61 2.07 -1.96 -0.17 116.25 118.72 2h5m h VAL 52 Ca 0.00 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 2h5m h VAL 52 Cb 0.60 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2h5m h VAL 52 CO 0.00 0.24 -0.18 1.23 0.02 0.00 0.00 177.57 178.89 2h5m h GLY 53 N 0.67 0.55 1.64 2.17 0.00 -1.77 -2.56 103.07 103.77 2h5m h GLY 53 Ca 0.17 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2h5m h GLY 53 CO -0.02 0.38 -0.56 0.50 0.00 0.00 0.00 176.54 176.84 2h5m h LYS 54 N 0.46 0.37 -0.72 4.80 1.57 -1.60 -2.35 116.57 119.11 2h5m h LYS 54 Ca 0.08 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2h5m h LYS 54 Cb 0.57 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2h5m h LYS 54 CO 0.04 0.83 0.42 -0.22 -0.57 0.00 0.00 179.45 179.95 2h5m h LYS 55 N 0.29 0.98 -0.25 3.15 3.64 -0.64 0.18 116.57 123.92 2h5m h LYS 55 Ca 0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2h5m h LYS 55 Cb 1.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2h5m h LYS 55 CO 0.09 0.70 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.72 2h5m h LEU 56 N 0.98 0.60 -0.74 5.20 3.38 -1.40 -2.02 115.31 121.31 2h5m h LEU 56 Ca 0.26 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2h5m h LEU 56 Cb -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2h5m h LEU 56 CO -0.05 0.92 0.44 0.25 0.09 0.00 0.00 178.44 180.09 2h5m h LEU 57 N 0.29 0.90 -0.82 1.67 5.85 -1.12 -2.00 115.31 120.08 2h5m h LEU 57 Ca 0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2h5m h LEU 57 Cb 0.72 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2h5m h LEU 57 CO 0.05 0.71 0.49 0.50 -0.34 0.00 0.00 178.44 179.85 2h5m h LYS 58 N 1.02 1.11 -0.77 1.25 3.64 -0.57 -1.58 116.57 120.66 2h5m h LYS 58 Ca 0.27 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2h5m h LYS 58 Cb -0.02 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 2h5m h LYS 58 CO -0.05 0.78 0.46 0.00 -2.27 0.00 0.00 179.45 178.37 2h5m h ALA 59 N 1.26 0.98 -0.19 5.00 0.00 -0.79 0.18 119.26 125.70 2h5m h ALA 59 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2h5m h ALA 59 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2h5m h ALA 59 CO -0.05 0.45 0.09 0.28 0.00 0.00 0.00 179.25 180.02 2h5m h VAL 60 N 1.06 1.14 -0.36 0.00 2.07 -0.87 0.14 116.25 119.43 2h5m h VAL 60 Ca 0.28 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2h5m h VAL 60 Cb -0.03 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2h5m h VAL 60 CO -0.05 0.13 0.20 0.58 0.02 0.00 0.00 177.57 178.44 2h5m h VAL 61 N 0.17 1.14 -0.36 2.57 2.07 -0.92 0.18 116.25 121.11 2h5m h VAL 61 Ca 0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2h5m h VAL 61 Cb 0.12 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2h5m h VAL 61 CO -0.01 0.15 0.17 -0.33 0.02 0.00 0.00 177.57 177.57 2h5m h GLU 62 N 0.46 0.52 -0.24 1.57 5.08 -0.49 -1.05 114.58 120.42 2h5m h GLU 62 Ca 0.13 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2h5m h GLU 62 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2h5m h GLU 62 CO -0.02 0.47 -0.14 1.25 -1.00 0.00 0.00 179.01 179.58 2h5m h HIS 63 N 0.44 0.43 -0.45 4.33 2.76 -0.48 -1.67 115.15 120.51 2h5m h HIS 63 Ca 0.12 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2h5m h HIS 63 Cb 0.13 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 2h5m h HIS 63 CO -0.01 0.53 0.10 0.00 -1.30 0.00 0.00 177.93 177.25 2h5m h ALA 64 N 1.49 0.59 -0.38 5.26 0.00 -0.21 -2.46 119.26 123.54 2h5m h ALA 64 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2h5m h ALA 64 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2h5m h ALA 64 CO 0.03 0.28 0.10 -0.09 0.00 0.00 0.00 179.25 179.57 2h5m h ARG 65 N 0.59 0.55 -0.36 0.00 9.65 -0.72 0.37 114.38 124.47 2h5m h ARG 65 Ca 0.14 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2h5m h ARG 65 Cb 0.34 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 2h5m h ARG 65 CO 0.00 0.50 0.01 0.93 2.80 0.00 0.00 179.97 184.22 2h5m h GLU 66 N 0.54 0.55 -0.20 0.20 5.08 -0.87 -3.07 114.58 116.81 2h5m h GLU 66 Ca 0.13 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2h5m h GLU 66 Cb 0.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2h5m h GLU 66 CO -0.00 0.57 0.00 0.09 -1.00 0.00 0.00 179.01 178.67 2h5m n ASN 67 N -4.28 2.65 -3.59 1.42 3.02 -0.91 -4.99 115.26 108.59 2h5m n ASN 67 Ca 0.02 -2.14 -0.22 0.00 -0.03 0.00 0.00 54.58 52.20 2h5m n ASN 67 Cb 0.24 -0.19 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.03 -4.41 -4.91 6.41 5.15 0.85 -4.99 115.26 113.33 2h5m n ASN 68 Ca 0.09 -0.62 -0.27 0.00 -0.60 0.00 0.00 54.58 53.18 2h5m n ASN 68 Cb 0.42 -4.85 -0.01 0.00 -0.53 0.00 0.00 39.78 34.80 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 -6.96 3.79 -0.18 1.20 1.43 0.92 -4.99 118.68 113.90 2h5m s LEU 69 Ca 0.36 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2h5m s LEU 69 Cb -0.16 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2h5m s LEU 69 CO 0.75 -0.44 -0.06 -0.54 0.23 0.00 0.00 176.35 176.29 2h5m s LYS 70 N -4.37 3.49 -0.19 1.70 3.01 0.51 -4.68 119.74 119.22 2h5m s LYS 70 Ca 0.46 -0.60 -0.12 0.00 -1.01 0.00 0.00 55.97 54.70 2h5m s LYS 70 Cb -0.10 -2.90 -0.05 0.00 -1.01 0.00 0.00 37.83 33.77 2h5m s LYS 70 CO 0.39 0.05 0.22 0.42 0.51 0.00 0.00 175.35 176.95 2h5m s ILE 71 N 0.83 5.34 -0.11 2.17 1.01 0.56 -0.10 121.20 130.91 2h5m s ILE 71 Ca -0.02 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.02 2h5m s ILE 71 Cb -0.15 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2h5m s ILE 71 CO 0.01 0.39 -0.11 0.27 0.00 0.00 0.00 174.94 175.51 2h5m s ILE 72 N 0.56 1.22 -0.33 2.92 -4.36 -0.34 -0.65 121.20 120.22 2h5m s ILE 72 Ca 0.12 -0.44 -0.05 0.00 -0.26 0.00 0.00 60.65 60.03 2h5m s ILE 72 Cb -0.12 -1.17 0.05 0.00 1.25 0.00 0.00 42.46 42.47 2h5m s ILE 72 CO 0.02 0.39 0.07 0.00 0.24 0.00 0.00 174.94 175.67 2h5m s ALA 73 N 1.34 2.97 -0.20 2.27 0.00 -1.26 -0.27 121.76 126.60 2h5m s ALA 73 Ca -0.01 -1.80 0.22 0.00 0.00 0.00 0.00 51.96 50.37 2h5m s ALA 73 Cb -0.14 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 2h5m s ALA 73 CO -0.05 -1.34 0.95 0.43 0.00 0.00 0.00 175.76 175.75 2h5m n SER 74 N 4.74 0.73 -4.73 0.00 7.64 -0.27 -4.27 113.62 117.45 2h5m n SER 74 Ca -0.12 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 2h5m n SER 74 Cb 0.44 0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 64.27 2h5m n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h5m h SER 76 N 5.81 0.53 0.00 0.00 0.02 -1.90 0.22 113.55 118.23 2h5m h SER 76 Ca -0.45 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2h5m h SER 76 Cb 1.21 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2h5m h SER 76 CO 0.86 0.28 -0.06 0.15 -1.14 0.00 0.00 176.83 176.92 2h5m h PHE 77 N 0.57 0.00 -0.87 3.45 3.57 -1.91 -3.21 116.94 118.53 2h5m h PHE 77 Ca 0.39 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.97 2h5m h PHE 77 Cb 0.72 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 2h5m h PHE 77 CO -0.00 0.52 0.57 0.00 -2.23 0.00 0.00 178.31 177.16 2h5m h ALA 78 N -0.52 1.57 0.24 2.41 0.00 -1.87 -0.08 119.26 121.02 2h5m h ALA 78 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2h5m h ALA 78 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2h5m h ALA 78 CO -0.01 0.29 -0.12 -0.22 0.00 0.00 0.00 179.25 179.19 2h5m h LYS 79 N 0.95 -0.31 -0.16 0.00 3.11 -0.70 -1.50 116.57 117.96 2h5m h LYS 79 Ca 0.38 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.19 2h5m h LYS 79 Cb 0.26 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 2h5m h LYS 79 CO -0.15 -0.20 -0.15 1.25 -2.81 0.00 0.00 179.45 177.40 2h5m h HIS 80 N -0.33 0.27 0.67 1.91 2.76 -1.42 -0.02 115.15 118.99 2h5m h HIS 80 Ca -0.03 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 2h5m h HIS 80 Cb 0.25 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.15 2h5m h HIS 80 CO -0.06 0.40 -0.32 0.52 -1.30 0.00 0.00 177.93 177.17 2h5m h MET 81 N 0.24 -0.87 0.00 5.26 2.86 -0.65 -1.16 114.93 120.61 2h5m h MET 81 Ca 0.05 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2h5m h MET 81 Cb 0.41 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2h5m h MET 81 CO 0.02 -0.55 0.00 -0.07 1.06 0.00 0.00 176.91 177.37 2h5m h LEU 82 N -1.02 0.00 -0.34 1.22 3.38 -1.19 -0.16 115.31 117.20 2h5m h LEU 82 Ca -0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2h5m h LEU 82 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2h5m h LEU 82 CO 0.15 0.00 -0.74 -0.08 0.09 0.00 0.00 178.44 177.86 2h5m h GLU 83 N 0.00 0.50 0.13 1.13 4.81 -0.72 -3.28 114.58 117.14 2h5m h GLU 83 Ca 0.00 -0.41 -0.21 0.00 -0.13 0.00 0.00 59.36 58.61 2h5m h GLU 83 Cb 0.48 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2h5m h GLU 83 CO 0.00 1.04 -0.99 -0.22 -0.73 0.00 0.00 179.01 178.11 2h5m h LYS 84 N 0.34 0.26 -5.94 1.92 3.64 -0.70 -3.42 116.57 112.68 2h5m h LYS 84 Ca -0.04 -0.45 -0.46 0.00 -1.27 0.00 0.00 60.65 58.43 2h5m h LYS 84 Cb 1.33 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.24 2h5m h LYS 84 CO 0.13 1.22 1.16 -1.21 -2.27 0.00 0.00 179.45 178.48 2h5m s GLU 85 N -2.44 3.13 0.41 1.90 8.01 -0.12 -4.79 118.70 124.81 2h5m s GLU 85 Ca -0.16 -0.75 0.11 0.00 0.01 0.00 0.00 54.97 54.17 2h5m s GLU 85 Cb 0.02 -5.23 0.86 0.00 -4.31 0.00 0.00 34.13 25.47 2h5m s GLU 85 CO 0.80 -2.73 1.95 0.22 0.01 0.00 0.00 175.26 175.51 2h5m h ASP 86 N 10.46 0.16 0.32 -0.19 1.82 -1.81 -2.04 116.42 125.14 2h5m h ASP 86 Ca 0.15 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2h5m h ASP 86 Cb 1.01 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 2h5m h ASP 86 CO 1.33 0.31 -0.04 0.28 -1.61 0.00 0.00 179.24 179.51 2h5m h SER 87 N 0.17 0.00 0.20 2.28 0.02 -1.92 -1.03 113.55 113.27 2h5m h SER 87 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2h5m h SER 87 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2h5m h SER 87 CO 0.02 0.04 -0.33 -1.22 -1.14 0.00 0.00 176.83 174.20 2h5m n TYR 88 N -3.38 0.00 1.20 3.45 4.01 -0.77 -4.08 117.16 117.59 2h5m n TYR 88 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2h5m n TYR 88 Cb 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2h5m n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2h5m n GLN 89 N -0.62 1.01 0.02 -0.72 6.02 -0.39 -1.83 117.38 120.88 2h5m n GLN 89 Ca 0.11 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.98 2h5m n GLN 89 Cb 0.37 -1.40 -0.14 0.00 1.02 0.00 0.00 30.24 30.09 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 0.02 0.12 0.00 1.08 2.03 -1.76 -3.38 116.42 114.52 2h5m h ASP 90 Ca 0.00 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2h5m h ASP 90 Cb 0.40 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.86 2h5m h ASP 90 CO 0.00 1.17 -1.15 1.33 -1.03 0.00 0.00 179.24 179.56 2h5m n VAL 91 N -3.23 0.00 -3.16 4.15 0.24 -1.17 -5.00 118.33 110.16 2h5m n VAL 91 Ca -0.14 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.69 2h5m n VAL 91 Cb 1.03 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.23 3.72 -1.20 6.34 5.04 -0.76 -0.32 117.35 127.94 2h5m s TYR 92 Ca -0.01 1.28 -0.19 0.00 -2.44 0.00 0.00 57.07 55.70 2h5m s TYR 92 Cb 0.02 -2.64 0.07 0.00 0.35 0.00 0.00 41.96 39.76 2h5m s TYR 92 CO 0.14 0.38 1.62 -0.51 -1.34 0.00 0.00 175.55 175.83 2h5m s LEU 93 N -0.33 3.82 -0.05 6.97 1.43 0.18 -4.52 118.68 126.18 2h5m s LEU 93 Ca 0.32 -2.15 0.07 0.00 -1.03 0.00 0.00 54.13 51.34 2h5m s LEU 93 Cb -0.19 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.57 2h5m s LEU 93 CO 0.19 -1.26 1.03 0.61 0.23 0.00 0.00 176.35 177.16 2h5m n GLY 94 N 5.81 2.03 1.26 -3.19 0.00 -1.26 -4.76 105.19 105.08 2h5m n GLY 94 Ca 0.43 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2h5m n GLY 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2h5m n LEU 95 N -0.54 3.84 0.23 0.99 -0.00 -1.26 -4.64 117.00 115.61 2h5m n LEU 95 Ca 0.06 -4.25 -0.13 0.00 -0.00 0.00 0.00 56.01 51.69 2h5m n LEU 95 Cb 0.66 -0.47 -0.07 0.00 -0.00 0.00 0.00 43.42 43.54 2h5m n LEU 95 CO 0.00 1.68 0.52 1.05 -0.00 0.00 0.00 177.39 180.64 2h5m h GLU 96 N 1.50 -0.71 0.00 1.47 -0.00 -1.97 -3.47 114.58 111.40 2h5m h GLU 96 Ca 0.18 0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.59 2h5m h GLU 96 Cb 1.27 0.16 0.00 0.00 -0.00 0.00 0.00 28.75 30.18 2h5m h GLU 96 CO 0.37 -0.48 0.00 -2.39 -0.00 0.00 0.00 179.01 176.52 2h5m n HIS 97 N -4.56 0.00 0.07 2.06 1.44 -1.26 -5.00 115.22 107.97 2h5m n HIS 97 Ca -0.09 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.41 2h5m n HIS 97 Cb 0.33 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.29 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 0.64 -3.32 -1.40 2.07 -1.92 -3.50 115.15 107.72 2h5m h HIS 98 Ca 0.00 -0.47 0.38 0.00 -2.85 0.00 0.00 60.37 57.43 2h5m h HIS 98 Cb 0.00 -0.03 -0.13 0.00 2.57 0.00 0.00 27.41 29.83 2h5m h HIS 98 CO 0.00 1.37 -0.76 0.72 -3.07 0.00 0.00 177.93 176.19 2h5m n HIS 99 N -4.03 -3.70 0.00 6.12 8.25 -1.26 -4.75 115.22 115.84 2h5m n HIS 99 Ca -0.15 1.90 0.00 0.00 -0.26 0.00 0.00 57.72 59.22 2h5m n HIS 99 Cb 0.89 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 28.64 2h5m n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2h5m n HIS 100 N -4.27 0.00 0.13 4.41 -0.00 -1.26 -4.10 115.22 110.13 2h5m n HIS 100 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2h5m n HIS 100 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 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 -3.54 1.48 1.57 -0.00 -1.26 -4.85 115.22 108.62 2h5m n HIS 101 Ca 0.00 0.85 0.14 0.00 0.46 0.00 0.00 57.72 59.17 2h5m n HIS 101 Cb 0.00 2.31 0.51 0.00 -0.12 0.00 0.00 29.99 32.69 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38