#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 -0.34 6.12 7.64 -1.26 -1.81 113.62 123.97 2h5m n SER 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2h5m n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2h5m n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2h5m n ASN 3 N 2.43 -0.10 0.00 6.43 0.23 -1.26 -4.97 115.26 118.02 2h5m n ASN 3 Ca 0.00 -0.57 0.14 0.00 -0.53 0.00 0.00 54.58 53.63 2h5m n ASN 3 Cb 0.00 0.03 0.71 0.00 -2.08 0.00 0.00 39.78 38.44 2h5m n ASN 3 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2h5m n LEU 4 N 0.00 0.00 -4.64 -4.53 4.77 -0.75 -3.14 117.00 108.71 2h5m n LEU 4 Ca -0.03 0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 2h5m n LEU 4 Cb 0.28 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2h5m n LEU 4 CO -0.01 -0.01 1.25 -1.61 -1.33 0.00 0.00 177.39 175.68 2h5m s GLU 5 N -2.68 3.99 -0.08 3.23 8.01 -1.26 -4.94 118.70 124.97 2h5m s GLU 5 Ca 0.24 1.67 -0.29 0.00 0.01 0.00 0.00 54.97 56.60 2h5m s GLU 5 Cb 0.20 -3.93 -0.07 0.00 -4.31 0.00 0.00 34.13 26.01 2h5m s GLU 5 CO 0.47 -1.04 2.04 0.42 0.01 0.00 0.00 175.26 177.16 2h5m s ILE 6 N 4.43 3.06 0.04 -1.63 1.01 -1.26 -4.72 121.20 122.12 2h5m s ILE 6 Ca 0.65 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 2h5m s ILE 6 Cb -0.24 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 2h5m s ILE 6 CO 0.25 -0.02 0.48 -0.54 0.00 0.00 0.00 174.94 175.11 2h5m s LYS 7 N 5.20 4.03 0.08 2.79 -0.14 0.58 -4.94 119.74 127.36 2h5m s LYS 7 Ca 0.92 0.55 -0.16 0.00 -1.36 0.00 0.00 55.97 55.92 2h5m s LYS 7 Cb -0.38 -3.21 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 2h5m s LYS 7 CO 0.38 0.66 0.51 1.14 -0.76 0.00 0.00 175.35 177.28 2h5m s GLN 8 N -1.16 4.03 0.20 1.68 0.00 -1.26 -1.15 119.66 122.00 2h5m s GLN 8 Ca 0.27 0.54 0.04 0.00 -0.00 0.00 0.00 55.36 56.21 2h5m s GLN 8 Cb -0.18 -3.11 -0.02 0.00 0.00 0.00 0.00 33.01 29.71 2h5m s GLN 8 CO 0.16 0.59 0.15 0.41 0.00 0.00 0.00 175.29 176.60 2h5m n GLY 9 N 1.36 3.42 3.55 2.60 0.00 0.10 -4.91 105.19 111.32 2h5m n GLY 9 Ca -0.09 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2h5m n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h5m s GLU 10 N -2.81 2.46 -1.52 1.61 2.02 -1.26 -2.90 118.70 116.29 2h5m s GLU 10 Ca 0.21 0.39 -0.05 0.00 0.02 0.00 0.00 54.97 55.55 2h5m s GLU 10 Cb 0.01 -4.67 0.01 0.00 0.10 0.00 0.00 34.13 29.58 2h5m s GLU 10 CO 0.15 -3.15 0.62 0.09 0.02 0.00 0.00 175.26 172.99 2h5m n ASN 11 N 14.02 -6.08 -3.77 -0.19 4.13 -1.26 -4.96 115.26 117.15 2h5m n ASN 11 Ca 0.31 -0.29 -0.07 0.00 1.68 0.00 0.00 54.58 56.21 2h5m n ASN 11 Cb 0.50 -4.88 -0.02 0.00 -1.54 0.00 0.00 39.78 33.84 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2h5m s LYS 12 N -5.70 1.83 -0.01 3.52 -2.85 -1.14 -2.23 119.74 113.16 2h5m s LYS 12 Ca 0.31 -1.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.26 2h5m s LYS 12 Cb -0.14 0.61 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2h5m s LYS 12 CO 0.38 -0.84 -0.06 -0.06 0.10 0.00 0.00 175.35 174.87 2h5m s PHE 13 N -3.76 0.58 0.01 1.78 0.08 -0.32 -0.72 117.98 115.63 2h5m s PHE 13 Ca 0.12 -0.11 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 2h5m s PHE 13 Cb -0.06 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 2h5m s PHE 13 CO 0.07 -0.03 0.01 1.52 -0.10 0.00 0.00 175.22 176.70 2h5m s TYR 14 N -0.04 0.19 -0.07 0.36 1.13 -0.30 -0.78 117.35 117.83 2h5m s TYR 14 Ca 0.01 -0.40 0.02 0.00 -1.41 0.00 0.00 57.07 55.29 2h5m s TYR 14 Cb -0.04 -0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2h5m s TYR 14 CO -0.00 -0.20 -0.12 0.42 -2.51 0.00 0.00 175.55 173.14 2h5m s ILE 15 N -1.34 1.16 -4.78 -3.49 1.01 0.96 -0.30 121.20 114.42 2h5m s ILE 15 Ca -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2h5m s ILE 15 Cb -0.09 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2h5m s ILE 15 CO -0.00 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2h5m n GLY 16 N 3.98 -0.84 0.17 6.18 0.00 -1.19 -0.50 105.19 113.00 2h5m n GLY 16 Ca -0.21 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 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 0.47 -5.05 1.61 3.58 -1.76 -3.45 116.42 111.82 2h5m h ASP 17 Ca 0.00 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.25 2h5m h ASP 17 Cb 0.00 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 2h5m h ASP 17 CO 0.00 0.60 0.29 -0.62 -2.88 0.00 0.00 179.24 176.63 2h5m s ASP 18 N -5.90 -0.13 0.38 2.28 2.15 -1.17 -4.94 116.67 109.34 2h5m s ASP 18 Ca -0.13 -0.81 0.07 0.00 0.43 0.00 0.00 52.55 52.10 2h5m s ASP 18 Cb 0.08 0.74 0.76 0.00 -0.30 0.00 0.00 42.92 44.20 2h5m s ASP 18 CO 0.75 -1.43 1.95 -0.08 -0.17 0.00 0.00 175.17 176.19 2h5m h GLU 19 N 2.00 0.43 0.00 4.34 4.57 -1.98 0.72 114.58 124.66 2h5m h GLU 19 Ca -0.25 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2h5m h GLU 19 Cb 1.25 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2h5m h GLU 19 CO 0.31 0.42 -0.27 -1.71 -1.18 0.00 0.00 179.01 176.58 2h5m n ASN 20 N -4.35 0.43 -2.59 1.04 5.15 -1.26 -3.92 115.26 109.76 2h5m n ASN 20 Ca 0.01 0.22 -0.15 0.00 -0.60 0.00 0.00 54.58 54.06 2h5m n ASN 20 Cb 0.19 -0.20 0.02 0.00 -0.53 0.00 0.00 39.78 39.26 2h5m n ASN 20 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2h5m n ASN 21 N -1.75 2.66 -4.72 1.20 3.02 -0.44 -5.09 115.26 110.14 2h5m n ASN 21 Ca 0.06 -3.03 -0.42 0.00 -0.03 0.00 0.00 54.58 51.16 2h5m n ASN 21 Cb 0.37 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.33 3.26 -0.12 5.41 0.00 0.12 -2.26 121.76 124.84 2h5m s ALA 22 Ca 0.35 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2h5m s ALA 22 Cb 0.43 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2h5m s ALA 22 CO -0.04 -0.27 0.14 -0.07 0.00 0.00 0.00 175.76 175.52 2h5m h LEU 23 N 6.53 0.00 -8.96 0.00 3.38 -1.37 -3.46 115.31 111.44 2h5m h LEU 23 Ca -0.42 -0.22 -0.69 0.00 0.09 0.00 0.00 57.88 56.65 2h5m h LEU 23 Cb 1.22 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.75 2h5m h LEU 23 CO 0.76 0.67 -0.74 0.00 0.09 0.00 0.00 178.44 179.22 2h5m s ALA 24 N -2.50 2.77 -0.07 1.53 0.00 0.35 0.46 121.76 124.29 2h5m s ALA 24 Ca -0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2h5m s ALA 24 Cb -0.00 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2h5m s ALA 24 CO 0.19 0.54 0.27 -1.83 0.00 0.00 0.00 175.76 174.94 2h5m s GLU 25 N -0.69 0.42 -0.03 0.00 -1.05 0.66 -0.02 118.70 117.98 2h5m s GLU 25 Ca 0.11 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 2h5m s GLU 25 Cb -0.11 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2h5m s GLU 25 CO 0.01 -0.08 0.00 -1.50 0.95 0.00 0.00 175.26 174.64 2h5m s ILE 26 N -0.35 0.18 -0.06 1.83 2.07 0.04 -1.43 121.20 123.48 2h5m s ILE 26 Ca -0.05 0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 2h5m s ILE 26 Cb -0.03 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 2h5m s ILE 26 CO 0.01 0.14 -0.23 0.42 -1.91 0.00 0.00 174.94 173.37 2h5m s THR 27 N 1.01 2.21 -0.20 4.00 -4.23 -0.56 -1.18 115.64 116.69 2h5m s THR 27 Ca -0.10 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2h5m s THR 27 Cb -0.14 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 71.95 2h5m s THR 27 CO -0.02 0.57 0.01 -0.72 -0.54 0.00 0.00 174.62 173.92 2h5m s TYR 28 N -0.20 1.44 -0.00 3.99 1.13 -0.95 -2.52 117.35 120.25 2h5m s TYR 28 Ca -0.02 -1.12 -0.01 0.00 -1.41 0.00 0.00 57.07 54.51 2h5m s TYR 28 Cb -0.13 -1.19 -0.04 0.00 -1.10 0.00 0.00 41.96 39.49 2h5m s TYR 28 CO 0.03 -0.66 0.09 1.03 -2.51 0.00 0.00 175.55 173.54 2h5m s ARG 29 N 1.72 3.10 -0.26 -3.49 3.00 0.18 -4.71 118.95 118.49 2h5m s ARG 29 Ca -0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 55.73 54.94 2h5m s ARG 29 Cb -0.18 -2.88 0.01 0.00 0.00 0.00 0.00 34.95 31.91 2h5m s ARG 29 CO -0.07 0.65 1.06 -0.06 0.00 0.00 0.00 175.30 176.88 2h5m s PHE 30 N -1.21 3.25 -0.62 -0.53 0.40 -1.26 -0.26 117.98 117.75 2h5m s PHE 30 Ca 0.23 1.36 0.23 0.00 -0.60 0.00 0.00 56.93 58.16 2h5m s PHE 30 Cb -0.12 -3.41 0.07 0.00 0.51 0.00 0.00 43.02 40.07 2h5m s PHE 30 CO 0.15 -0.63 1.05 1.33 0.70 0.00 0.00 175.22 177.81 2h5m n VAL 31 N 5.50 0.18 -2.23 -0.44 0.24 -0.60 -4.96 118.33 116.01 2h5m n VAL 31 Ca 0.12 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2h5m n VAL 31 Cb 0.46 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 2h5m n VAL 31 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2h5m n ASP 32 N -1.96 0.00 0.04 -1.34 2.03 -1.06 -5.00 116.55 109.26 2h5m n ASP 32 Ca 0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.11 2h5m n ASP 32 Cb 0.43 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.69 2h5m n ASP 32 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2h5m h ASN 33 N 0.00 0.53 -0.07 1.67 2.35 -2.02 -3.37 115.58 114.66 2h5m h ASN 33 Ca 0.00 -0.94 -0.02 0.00 -0.55 0.00 0.00 56.30 54.78 2h5m h ASN 33 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2h5m h ASN 33 CO 0.00 1.81 -0.19 -0.46 -1.65 0.00 0.00 177.43 176.94 2h5m n ASN 34 N -3.57 2.29 -3.88 5.81 6.94 -1.26 -4.98 115.26 116.61 2h5m n ASN 34 Ca -0.28 -3.48 -0.21 0.00 -0.02 0.00 0.00 54.58 50.60 2h5m n ASN 34 Cb 1.06 -0.51 -0.17 0.00 -2.36 0.00 0.00 39.78 37.80 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2h5m s GLU 35 N -3.06 0.87 0.12 -3.83 2.02 -1.26 -0.03 118.70 113.53 2h5m s GLU 35 Ca 0.37 -0.09 0.09 0.00 0.02 0.00 0.00 54.97 55.36 2h5m s GLU 35 Cb 0.34 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 2h5m s GLU 35 CO -0.01 -0.12 -0.22 0.96 0.02 0.00 0.00 175.26 175.89 2h5m s ILE 36 N 1.13 1.84 -0.04 -1.63 -4.36 0.44 -1.56 121.20 117.02 2h5m s ILE 36 Ca -0.08 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.72 2h5m s ILE 36 Cb -0.14 -1.69 -0.00 0.00 1.25 0.00 0.00 42.46 41.88 2h5m s ILE 36 CO -0.01 -0.07 -0.18 0.54 0.24 0.00 0.00 174.94 175.46 2h5m s ASN 37 N -2.05 2.25 -0.54 4.36 2.20 0.64 -1.30 114.94 120.49 2h5m s ASN 37 Ca 0.09 -0.37 -0.16 0.00 -0.94 0.00 0.00 52.86 51.48 2h5m s ASN 37 Cb -0.09 -0.60 0.12 0.00 -2.00 0.00 0.00 41.25 38.68 2h5m s ASN 37 CO 0.05 0.17 0.51 -0.63 -2.94 0.00 0.00 177.10 174.26 2h5m s ILE 38 N -0.02 5.18 -0.16 0.54 1.01 -1.00 -0.65 121.20 126.11 2h5m s ILE 38 Ca -0.03 -1.42 0.19 0.00 0.00 0.00 0.00 60.65 59.39 2h5m s ILE 38 Cb -0.11 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 2h5m s ILE 38 CO 0.02 -0.87 0.88 -0.90 0.00 0.00 0.00 174.94 174.08 2h5m n ASP 39 N 5.33 0.82 -4.09 3.58 5.75 -1.05 0.11 116.55 127.01 2h5m n ASP 39 Ca -0.14 0.34 -0.25 0.00 -0.01 0.00 0.00 54.79 54.74 2h5m n ASP 39 Cb 0.40 0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 40.67 2h5m n ASP 39 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2h5m s HIS 40 N -3.10 1.58 -0.44 2.11 3.76 -1.25 -4.18 115.29 113.78 2h5m s HIS 40 Ca -0.02 -0.49 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2h5m s HIS 40 Cb 0.09 -1.09 0.18 0.00 1.11 0.00 0.00 32.58 32.87 2h5m s HIS 40 CO 0.81 -0.19 0.56 0.99 -0.85 0.00 0.00 174.74 176.06 2h5m s THR 41 N 0.21 -0.66 -0.04 1.30 2.01 -1.24 -1.49 115.64 115.73 2h5m s THR 41 Ca -0.07 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2h5m s THR 41 Cb -0.12 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2h5m s THR 41 CO 0.03 -0.31 -0.25 -0.83 -0.69 0.00 0.00 174.62 172.57 2h5m s GLY 42 N 1.19 1.29 -0.36 4.40 0.00 -0.51 -4.76 107.32 108.57 2h5m s GLY 42 Ca 0.23 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2h5m s GLY 42 CO -0.07 -0.80 0.12 0.14 0.00 0.00 0.00 173.10 172.50 2h5m s VAL 43 N -0.40 1.46 0.06 1.40 1.01 -1.26 -0.25 120.40 122.42 2h5m s VAL 43 Ca 0.04 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 59.87 2h5m s VAL 43 Cb -0.12 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2h5m s VAL 43 CO 0.01 -0.71 0.46 -0.44 0.00 0.00 0.00 175.10 174.42 2h5m s SER 44 N 1.05 6.80 -0.28 3.32 0.01 0.17 -4.92 113.70 119.85 2h5m s SER 44 Ca 0.12 0.98 -0.18 0.00 1.31 0.00 0.00 55.95 58.18 2h5m s SER 44 Cb -0.20 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 63.89 2h5m s SER 44 CO -0.14 0.23 0.84 -0.62 0.41 0.00 0.00 173.24 173.96 2h5m s ASP 45 N -1.42 -0.70 0.02 2.44 2.15 -1.26 -4.48 116.67 113.42 2h5m s ASP 45 Ca 0.30 1.17 0.25 0.00 0.43 0.00 0.00 52.55 54.69 2h5m s ASP 45 Cb -0.16 1.27 0.43 0.00 -0.30 0.00 0.00 42.92 44.16 2h5m s ASP 45 CO 0.17 -0.19 1.36 -0.62 -0.17 0.00 0.00 175.17 175.72 2h5m n GLU 46 N 3.67 0.06 0.05 4.34 1.02 -1.26 -4.29 120.64 124.23 2h5m n GLU 46 Ca -0.18 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.93 2h5m n GLU 46 Cb 0.58 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 2h5m n GLU 46 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2h5m h LEU 47 N 0.00 -0.19 0.00 -4.62 3.38 -2.04 -3.48 115.31 108.36 2h5m h LEU 47 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2h5m h LEU 47 Cb 0.55 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2h5m h LEU 47 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2h5m n GLY 48 N 1.18 0.00 0.00 0.83 0.00 -1.26 -5.12 105.19 100.81 2h5m n GLY 48 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2h5m n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h5m n GLY 49 N 0.00 3.07 3.58 -0.02 0.00 -1.26 -5.08 105.19 105.48 2h5m n GLY 49 Ca 0.00 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2h5m n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h5m s GLN 50 N -3.62 2.66 -0.11 1.61 -1.52 -1.26 -5.01 119.66 112.40 2h5m s GLN 50 Ca 0.00 -0.62 -0.01 0.00 -1.95 0.00 0.00 55.36 52.78 2h5m s GLN 50 Cb 0.00 -2.54 0.05 0.00 -0.22 0.00 0.00 33.01 30.29 2h5m s GLN 50 CO 0.00 0.64 2.17 0.41 -0.25 0.00 0.00 175.29 178.26 2h5m n GLY 51 N 1.98 3.10 0.15 3.09 0.00 -1.26 -4.22 105.19 108.03 2h5m n GLY 51 Ca -0.17 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.37 2h5m n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2h5m h VAL 52 N 1.12 0.98 0.00 1.61 -1.51 -2.01 -3.13 116.25 113.31 2h5m h VAL 52 Ca 0.12 -2.10 -0.03 0.00 -1.23 0.00 0.00 66.70 63.46 2h5m h VAL 52 Cb 1.01 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2h5m h VAL 52 CO 0.28 0.50 -0.15 1.23 -1.23 0.00 0.00 177.57 178.21 2h5m h GLY 53 N 2.87 0.00 1.33 5.19 0.00 -1.95 -2.15 103.07 108.36 2h5m h GLY 53 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2h5m h GLY 53 CO 0.07 0.00 0.04 0.50 0.00 0.00 0.00 176.54 177.15 2h5m h LYS 54 N 0.00 0.82 -0.02 4.80 1.57 -1.89 -1.28 116.57 120.57 2h5m h LYS 54 Ca -0.00 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.41 2h5m h LYS 54 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2h5m h LYS 54 CO 0.02 0.80 -0.73 0.87 -0.57 0.00 0.00 179.45 179.83 2h5m h LYS 55 N 0.77 0.14 0.05 3.15 6.56 -1.55 -2.31 116.57 123.38 2h5m h LYS 55 Ca 0.16 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2h5m h LYS 55 Cb 0.41 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2h5m h LYS 55 CO 0.01 0.81 -0.02 -0.07 -2.06 0.00 0.00 179.45 178.12 2h5m h LEU 56 N 0.09 -0.06 -0.88 2.94 3.38 -1.17 -2.67 115.31 116.94 2h5m h LEU 56 Ca -0.02 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2h5m h LEU 56 Cb 1.29 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2h5m h LEU 56 CO 0.11 0.40 0.22 0.25 0.09 0.00 0.00 178.44 179.50 2h5m h LEU 57 N -0.52 0.97 -0.77 1.67 5.85 -1.30 -2.69 115.31 118.52 2h5m h LEU 57 Ca -0.01 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2h5m h LEU 57 Cb 0.47 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2h5m h LEU 57 CO 0.01 0.90 0.49 0.50 -0.34 0.00 0.00 178.44 180.00 2h5m h LYS 58 N 1.01 0.92 -0.85 1.25 3.64 -1.43 -0.52 116.57 120.59 2h5m h LYS 58 Ca 0.22 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2h5m h LYS 58 Cb 0.28 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2h5m h LYS 58 CO -0.01 0.61 0.48 0.00 -2.27 0.00 0.00 179.45 178.26 2h5m h ALA 59 N 1.33 1.08 -0.28 5.00 0.00 -1.15 0.90 119.26 126.14 2h5m h ALA 59 Ca 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2h5m h ALA 59 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2h5m h ALA 59 CO -0.12 0.58 0.02 0.28 0.00 0.00 0.00 179.25 180.01 2h5m h VAL 60 N 1.18 1.25 -0.46 0.00 2.07 -1.15 -0.52 116.25 118.61 2h5m h VAL 60 Ca 0.30 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2h5m h VAL 60 Cb 0.00 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2h5m h VAL 60 CO -0.05 0.28 0.29 0.58 0.02 0.00 0.00 177.57 178.69 2h5m h VAL 61 N 0.29 1.13 -0.44 2.57 2.07 -0.76 0.97 116.25 122.08 2h5m h VAL 61 Ca 0.08 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2h5m h VAL 61 Cb 0.39 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2h5m h VAL 61 CO 0.01 0.13 0.28 -0.33 0.02 0.00 0.00 177.57 177.68 2h5m h GLU 62 N 0.62 0.60 -0.67 1.57 5.08 -0.70 0.76 114.58 121.83 2h5m h GLU 62 Ca 0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2h5m h GLU 62 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2h5m h GLU 62 CO -0.03 0.42 0.17 1.25 -1.00 0.00 0.00 179.01 179.82 2h5m h HIS 63 N 0.59 1.13 -0.13 4.33 2.76 -0.76 -1.04 115.15 122.03 2h5m h HIS 63 Ca 0.16 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2h5m h HIS 63 Cb -0.03 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 2h5m h HIS 63 CO -0.04 0.92 0.03 0.00 -1.30 0.00 0.00 177.93 177.55 2h5m h ALA 64 N 1.07 0.18 -0.95 5.26 0.00 -0.40 -1.31 119.26 123.11 2h5m h ALA 64 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2h5m h ALA 64 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2h5m h ALA 64 CO 0.00 -0.19 0.57 -0.09 0.00 0.00 0.00 179.25 179.54 2h5m h ARG 65 N 0.02 1.29 -0.22 0.00 9.65 -0.73 0.45 114.38 124.83 2h5m h ARG 65 Ca 0.04 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 58.68 2h5m h ARG 65 Cb 0.25 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2h5m h ARG 65 CO 0.00 0.90 -0.38 1.49 2.80 0.00 0.00 179.97 184.78 2h5m h GLU 66 N 1.31 0.49 -0.59 0.20 4.57 -1.03 -3.07 114.58 116.46 2h5m h GLU 66 Ca 0.34 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2h5m h GLU 66 Cb -0.06 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2h5m h GLU 66 CO -0.06 0.80 0.00 0.09 -1.18 0.00 0.00 179.01 178.65 2h5m n ASN 67 N -4.04 3.60 -3.44 1.04 5.03 -0.51 -4.98 115.26 111.96 2h5m n ASN 67 Ca -0.01 -1.99 -0.20 0.00 0.87 0.00 0.00 54.58 53.25 2h5m n ASN 67 Cb 0.49 -0.39 0.06 0.00 -1.02 0.00 0.00 39.78 38.92 2h5m n ASN 67 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2h5m n ASN 68 N 1.30 -4.69 -4.58 6.41 3.02 0.68 -5.01 115.26 112.40 2h5m n ASN 68 Ca 0.20 -0.78 -0.30 0.00 -0.03 0.00 0.00 54.58 53.67 2h5m n ASN 68 Cb 0.56 -4.63 -0.10 0.00 -0.61 0.00 0.00 39.78 35.00 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h5m s LEU 69 N -5.99 3.05 -0.06 3.41 1.43 0.12 -4.85 118.68 115.80 2h5m s LEU 69 Ca 0.31 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 2h5m s LEU 69 Cb -0.06 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2h5m s LEU 69 CO 0.78 0.21 0.33 -0.54 0.23 0.00 0.00 176.35 177.36 2h5m s LYS 70 N -1.95 3.90 -0.20 1.70 3.01 0.95 -4.54 119.74 122.62 2h5m s LYS 70 Ca 0.20 0.24 -0.04 0.00 -1.01 0.00 0.00 55.97 55.36 2h5m s LYS 70 Cb -0.11 -3.26 -0.02 0.00 -1.01 0.00 0.00 37.83 33.43 2h5m s LYS 70 CO 0.12 0.60 -0.04 0.42 0.51 0.00 0.00 175.35 176.95 2h5m s ILE 71 N -0.69 3.55 -0.39 2.17 1.01 -0.77 -0.42 121.20 125.67 2h5m s ILE 71 Ca 0.21 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.43 2h5m s ILE 71 Cb -0.15 -2.59 0.11 0.00 0.01 0.00 0.00 42.46 39.84 2h5m s ILE 71 CO 0.09 0.44 0.14 0.27 0.00 0.00 0.00 174.94 175.89 2h5m s ILE 72 N 1.09 1.87 -0.26 2.92 -4.36 -0.42 -4.06 121.20 117.98 2h5m s ILE 72 Ca 0.01 -2.37 -0.29 0.00 -0.26 0.00 0.00 60.65 57.74 2h5m s ILE 72 Cb -0.15 -2.35 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 2h5m s ILE 72 CO 0.00 -0.71 1.23 0.00 0.24 0.00 0.00 174.94 175.70 2h5m s ALA 73 N 0.72 3.50 -0.32 2.27 0.00 -1.26 -2.37 121.76 124.31 2h5m s ALA 73 Ca 0.13 0.19 0.22 0.00 0.00 0.00 0.00 51.96 52.51 2h5m s ALA 73 Cb -0.21 -3.69 0.15 0.00 0.00 0.00 0.00 23.12 19.36 2h5m s ALA 73 CO -0.09 -1.48 1.30 0.77 0.00 0.00 0.00 175.76 176.26 2h5m h SER 74 N 8.62 0.00 -3.55 0.00 0.02 -0.66 -3.43 113.55 114.56 2h5m h SER 74 Ca -0.25 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.18 2h5m h SER 74 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2h5m h SER 74 CO 1.01 0.04 0.21 0.00 -1.14 0.00 0.00 176.83 176.95 2h5m h SER 76 N 4.47 0.46 0.18 0.00 0.02 -1.91 -2.36 113.55 114.41 2h5m h SER 76 Ca -0.46 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2h5m h SER 76 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2h5m h SER 76 CO 0.67 0.40 -0.09 0.15 -1.14 0.00 0.00 176.83 176.82 2h5m h PHE 77 N 0.49 -0.22 -0.40 3.45 3.57 -1.94 0.17 116.94 122.06 2h5m h PHE 77 Ca 0.14 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2h5m h PHE 77 Cb 0.02 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2h5m h PHE 77 CO -0.03 -0.13 0.19 0.00 -2.23 0.00 0.00 178.31 176.11 2h5m h ALA 78 N 0.57 0.50 -0.41 2.41 0.00 -1.85 -1.94 119.26 118.53 2h5m h ALA 78 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2h5m h ALA 78 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2h5m h ALA 78 CO 0.04 -0.18 0.01 -0.22 0.00 0.00 0.00 179.25 178.90 2h5m h LYS 79 N 0.38 0.66 -0.84 0.00 3.64 -1.30 -1.62 116.57 117.49 2h5m h LYS 79 Ca 0.18 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2h5m h LYS 79 Cb 0.10 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2h5m h LYS 79 CO -0.14 0.67 0.55 1.25 -2.27 0.00 0.00 179.45 179.51 2h5m h HIS 80 N 0.62 1.04 0.06 1.91 2.76 -0.20 -1.72 115.15 119.63 2h5m h HIS 80 Ca 0.13 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 58.07 2h5m h HIS 80 Cb 0.37 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 28.99 2h5m h HIS 80 CO 0.02 0.64 -1.09 1.98 -1.30 0.00 0.00 177.93 178.18 2h5m h MET 81 N 1.11 0.45 -1.00 5.26 1.85 -1.13 -3.04 114.93 118.43 2h5m h MET 81 Ca 0.32 -0.56 0.02 0.00 -0.61 0.00 0.00 59.70 58.86 2h5m h MET 81 Cb -0.08 0.18 -0.05 0.00 0.43 0.00 0.00 31.60 32.08 2h5m h MET 81 CO -0.09 1.21 0.66 -0.07 -0.40 0.00 0.00 176.91 178.23 2h5m h LEU 82 N 0.22 1.14 -0.13 3.39 3.38 -0.97 0.46 115.31 122.79 2h5m h LEU 82 Ca -0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2h5m h LEU 82 Cb 1.75 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2h5m h LEU 82 CO 0.19 0.81 0.00 -0.33 0.09 0.00 0.00 178.44 179.21 2h5m h GLU 83 N 1.34 0.00 0.00 1.13 5.08 -1.38 -3.23 114.58 117.52 2h5m h GLU 83 Ca 0.37 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.52 2h5m h GLU 83 Cb -0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2h5m h GLU 83 CO -0.09 0.00 -1.17 0.87 -1.00 0.00 0.00 179.01 177.62 2h5m h LYS 84 N 0.00 0.00 -6.20 2.33 1.57 -1.17 -3.46 116.57 109.65 2h5m h LYS 84 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2h5m h LYS 84 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2h5m h LYS 84 CO 0.00 0.96 0.92 -2.00 -0.57 0.00 0.00 179.45 178.76 2h5m s GLU 85 N -2.35 4.23 0.44 3.15 2.56 0.05 -4.89 118.70 121.90 2h5m s GLU 85 Ca -0.28 1.79 0.14 0.00 0.00 0.00 0.00 54.97 56.62 2h5m s GLU 85 Cb 0.05 -3.78 0.98 0.00 2.00 0.00 0.00 34.13 33.38 2h5m s GLU 85 CO 0.58 -0.71 1.98 0.38 -0.56 0.00 0.00 175.26 176.93 2h5m h ASP 86 N 8.40 0.00 0.34 -1.70 2.03 -1.88 -1.76 116.42 121.85 2h5m h ASP 86 Ca -0.30 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.82 2h5m h ASP 86 Cb 1.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 2h5m h ASP 86 CO 0.96 0.20 -0.72 0.77 -1.03 0.00 0.00 179.24 179.41 2h5m h SER 87 N 0.00 0.39 1.59 4.15 4.64 -1.92 -3.04 113.55 119.36 2h5m h SER 87 Ca -0.00 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 2h5m h SER 87 Cb 0.35 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2h5m h SER 87 CO 0.03 0.98 -0.16 1.88 -0.87 0.00 0.00 176.83 178.69 2h5m h TYR 88 N 0.22 0.00 0.00 4.77 -1.99 -1.67 -3.03 116.97 115.27 2h5m h TYR 88 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2h5m h TYR 88 Cb 1.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.02 2h5m h TYR 88 CO 0.04 0.16 0.00 1.04 -0.00 0.00 0.00 178.16 179.39 2h5m n GLN 89 N -3.17 0.22 -0.03 4.88 6.02 -0.72 -2.44 117.38 122.14 2h5m n GLN 89 Ca 0.02 0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 2h5m n GLN 89 Cb 0.53 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.20 2h5m n GLN 89 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2h5m h ASP 90 N 0.00 0.38 0.33 1.08 3.58 -1.64 -3.25 116.42 116.91 2h5m h ASP 90 Ca 0.00 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.77 2h5m h ASP 90 Cb 0.15 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2h5m h ASP 90 CO 0.00 1.00 -0.39 1.33 -2.88 0.00 0.00 179.24 178.30 2h5m n VAL 91 N -4.42 0.00 -3.22 2.25 0.24 -1.11 -4.86 118.33 107.20 2h5m n VAL 91 Ca -0.09 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.75 2h5m n VAL 91 Cb 0.52 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.72 3.69 -0.17 6.34 5.04 -1.02 -1.85 117.35 126.67 2h5m s TYR 92 Ca 0.18 1.20 -0.14 0.00 -2.44 0.00 0.00 57.07 55.87 2h5m s TYR 92 Cb 0.18 -2.59 -0.08 0.00 0.35 0.00 0.00 41.96 39.83 2h5m s TYR 92 CO 0.61 0.38 -0.11 1.28 -1.34 0.00 0.00 175.55 176.37 2h5m n LEU 93 N 2.62 1.85 0.00 6.97 4.32 -1.26 -4.87 117.00 126.63 2h5m n LEU 93 Ca -0.07 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 2h5m n LEU 93 Cb 0.51 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2h5m n LEU 93 CO 0.43 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2h5m n GLY 94 N 1.53 3.03 0.37 -0.72 0.00 -1.26 -4.94 105.19 103.19 2h5m n GLY 94 Ca -0.17 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.67 2h5m n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h5m n LEU 95 N 0.00 2.16 0.00 0.99 4.77 -1.26 -4.79 117.00 118.87 2h5m n LEU 95 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2h5m n LEU 95 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2h5m n LEU 95 CO 0.00 0.50 0.00 1.21 -1.33 0.00 0.00 177.39 177.77 2h5m n GLU 96 N 0.28 0.00 -3.37 3.23 0.00 -1.26 -5.04 120.64 114.48 2h5m n GLU 96 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.02 2h5m n GLU 96 Cb 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 31.44 31.62 2h5m n GLU 96 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2h5m s HIS 97 N -0.07 -0.01 -0.72 4.31 3.76 -1.26 -4.93 115.29 116.37 2h5m s HIS 97 Ca 0.00 -1.10 0.25 0.00 -0.15 0.00 0.00 55.06 54.05 2h5m s HIS 97 Cb 0.00 -0.53 0.47 0.00 1.11 0.00 0.00 32.58 33.62 2h5m s HIS 97 CO 0.00 -0.94 1.42 1.58 -0.85 0.00 0.00 174.74 175.95 2h5m n HIS 98 N 4.06 0.49 -3.51 1.40 -0.00 -1.26 -4.91 115.22 111.48 2h5m n HIS 98 Ca 0.13 0.14 -0.12 0.00 0.46 0.00 0.00 57.72 58.33 2h5m n HIS 98 Cb 0.44 -0.62 -0.04 0.00 -0.12 0.00 0.00 29.99 29.65 2h5m n HIS 98 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2h5m s HIS 99 N -3.13 -0.46 -0.05 1.57 -3.43 -1.26 -5.09 115.29 103.44 2h5m s HIS 99 Ca 0.08 0.57 -0.08 0.00 -0.80 0.00 0.00 55.06 54.83 2h5m s HIS 99 Cb 0.14 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2h5m s HIS 99 CO 0.69 -0.56 0.35 1.25 -2.00 0.00 0.00 174.74 174.48 2h5m h HIS 100 N 2.39 -0.26 0.00 0.38 2.76 -2.00 -3.48 115.15 114.95 2h5m h HIS 100 Ca -0.24 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2h5m h HIS 100 Cb 1.21 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2h5m h HIS 100 CO 0.29 -0.16 0.00 1.58 -1.30 0.00 0.00 177.93 178.34 2h5m n HIS 101 N -4.57 -1.12 0.13 5.26 -0.00 -1.26 -5.17 115.22 108.49 2h5m n HIS 101 Ca -0.03 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.16 2h5m n HIS 101 Cb 0.11 0.22 0.01 0.00 -0.12 0.00 0.00 29.99 30.21 2h5m n HIS 101 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52