#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 -3.59 3.17 7.64 -1.26 -5.02 113.62 114.55 2h5m n SER 2 Ca 0.00 0.02 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 2h5m n SER 2 Cb 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2h5m n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2h5m s ASN 3 N -1.71 -0.32 -1.02 6.43 3.84 -1.26 -5.05 114.94 115.86 2h5m s ASN 3 Ca 0.00 -0.18 -0.08 0.00 0.21 0.00 0.00 52.86 52.81 2h5m s ASN 3 Cb 0.00 0.49 -0.14 0.00 -0.55 0.00 0.00 41.25 41.05 2h5m s ASN 3 CO 0.00 -0.84 3.18 0.18 -2.79 0.00 0.00 177.10 176.83 2h5m n LEU 4 N -0.10 7.46 -4.81 3.21 4.77 -1.26 -4.64 117.00 121.63 2h5m n LEU 4 Ca -0.17 -3.96 -0.38 0.00 -0.03 0.00 0.00 56.01 51.47 2h5m n LEU 4 Cb 0.63 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 2h5m n LEU 4 CO 0.17 1.94 0.16 -1.61 -1.33 0.00 0.00 177.39 176.72 2h5m s GLU 5 N 1.55 4.07 -1.10 3.23 0.41 -1.26 -5.01 118.70 120.59 2h5m s GLU 5 Ca 0.68 0.51 -0.20 0.00 -0.41 0.00 0.00 54.97 55.56 2h5m s GLU 5 Cb 0.23 -3.26 0.08 0.00 -1.78 0.00 0.00 34.13 29.41 2h5m s GLU 5 CO -0.04 0.59 1.47 0.42 -0.49 0.00 0.00 175.26 177.21 2h5m s ILE 6 N -0.82 4.24 0.09 -1.63 1.01 -1.26 -4.38 121.20 118.46 2h5m s ILE 6 Ca 0.26 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 59.17 2h5m s ILE 6 Cb -0.17 -5.03 -0.07 0.00 0.01 0.00 0.00 42.46 37.20 2h5m s ILE 6 CO 0.15 -1.85 1.28 -0.54 0.00 0.00 0.00 174.94 173.97 2h5m s LYS 7 N 3.99 4.39 -0.18 2.79 -0.14 -0.12 -4.84 119.74 125.62 2h5m s LYS 7 Ca 0.45 1.90 -0.06 0.00 -1.36 0.00 0.00 55.97 56.91 2h5m s LYS 7 Cb -0.00 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 2h5m s LYS 7 CO -0.04 -0.32 0.01 1.14 -0.76 0.00 0.00 175.35 175.38 2h5m s GLN 8 N 1.01 3.78 0.00 1.68 -2.07 -1.26 -0.19 119.66 122.60 2h5m s GLN 8 Ca 0.61 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.70 2h5m s GLN 8 Cb -0.33 -3.09 0.00 0.00 -1.09 0.00 0.00 33.01 28.51 2h5m s GLN 8 CO 0.30 0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.86 2h5m n GLY 9 N 3.76 5.34 3.56 2.60 0.00 0.11 -4.97 105.19 115.60 2h5m n GLY 9 Ca -0.17 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 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 1.90 1.53 -1.50 1.61 -6.30 -1.26 -2.95 118.70 111.73 2h5m s GLU 10 Ca 0.00 0.23 -0.09 0.00 -2.50 0.00 0.00 54.97 52.61 2h5m s GLU 10 Cb 0.00 -4.84 0.07 0.00 0.00 0.00 0.00 34.13 29.35 2h5m s GLU 10 CO 0.00 -4.67 0.78 0.09 0.02 0.00 0.00 175.26 171.48 2h5m n ASN 11 N 18.76 -2.92 -3.63 -1.70 3.02 -1.26 -4.92 115.26 122.61 2h5m n ASN 11 Ca 0.45 -0.88 -0.11 0.00 -0.03 0.00 0.00 54.58 54.02 2h5m n ASN 11 Cb 0.44 -3.54 -0.05 0.00 -0.61 0.00 0.00 39.78 36.02 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 -6.54 1.04 -0.06 3.52 -2.85 -1.15 -2.30 119.74 111.40 2h5m s LYS 12 Ca 0.42 -0.61 0.04 0.00 -1.00 0.00 0.00 55.97 54.82 2h5m s LYS 12 Cb -0.22 0.46 -0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2h5m s LYS 12 CO 0.86 -0.40 -0.19 -0.06 0.10 0.00 0.00 175.35 175.66 2h5m s PHE 13 N -3.47 1.92 -0.02 1.78 0.08 -0.15 0.07 117.98 118.19 2h5m s PHE 13 Ca 0.01 -0.64 -0.11 0.00 0.12 0.00 0.00 56.93 56.31 2h5m s PHE 13 Cb 0.01 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.17 2h5m s PHE 13 CO -0.10 -0.24 0.24 1.52 -0.10 0.00 0.00 175.22 176.54 2h5m s TYR 14 N 0.19 -0.12 -0.13 0.36 1.13 0.74 -0.39 117.35 119.13 2h5m s TYR 14 Ca -0.09 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.77 2h5m s TYR 14 Cb -0.14 0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.79 2h5m s TYR 14 CO 0.04 -0.32 -0.12 0.42 -2.51 0.00 0.00 175.55 173.06 2h5m s ILE 15 N -1.12 1.38 0.00 -3.49 1.01 0.98 -0.94 121.20 119.01 2h5m s ILE 15 Ca -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2h5m s ILE 15 Cb -0.06 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.10 2h5m s ILE 15 CO 0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2h5m n GLY 16 N 4.69 -0.36 0.20 6.18 0.00 -1.26 -0.27 105.19 114.37 2h5m n GLY 16 Ca -0.16 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 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 0.73 -4.89 1.61 1.82 -1.88 -3.44 116.42 110.36 2h5m h ASP 17 Ca 0.00 -0.52 -0.25 0.00 -0.39 0.00 0.00 57.03 55.87 2h5m h ASP 17 Cb 0.00 -0.21 -0.15 0.00 0.68 0.00 0.00 39.33 39.66 2h5m h ASP 17 CO 0.00 1.10 -0.65 -0.62 -1.61 0.00 0.00 179.24 177.46 2h5m s ASP 18 N -6.60 0.83 0.25 2.28 2.15 -1.25 -4.84 116.67 109.49 2h5m s ASP 18 Ca -0.12 -1.22 -0.03 0.00 0.43 0.00 0.00 52.55 51.61 2h5m s ASP 18 Cb 0.08 0.20 0.42 0.00 -0.30 0.00 0.00 42.92 43.32 2h5m s ASP 18 CO 0.83 -0.66 1.82 -0.08 -0.17 0.00 0.00 175.17 176.92 2h5m h GLU 19 N 2.72 0.84 0.00 4.34 4.57 -2.01 -0.25 114.58 124.80 2h5m h GLU 19 Ca -0.36 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2h5m h GLU 19 Cb 1.21 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2h5m h GLU 19 CO 0.61 0.55 -0.20 -0.97 -1.18 0.00 0.00 179.01 177.82 2h5m h ASN 20 N 0.86 0.00 -1.13 1.04 -1.24 -2.00 -3.27 115.58 109.85 2h5m h ASN 20 Ca 0.42 -0.01 -0.69 0.00 0.71 0.00 0.00 56.30 56.73 2h5m h ASN 20 Cb 0.36 0.00 -0.29 0.00 0.73 0.00 0.00 38.32 39.12 2h5m h ASN 20 CO -0.24 0.00 0.88 0.59 -1.29 0.00 0.00 177.43 177.38 2h5m n ASN 21 N -2.88 7.66 -4.60 1.15 4.13 -0.13 -4.95 115.26 115.64 2h5m n ASN 21 Ca 0.03 -3.80 -0.43 0.00 1.68 0.00 0.00 54.58 52.07 2h5m n ASN 21 Cb 0.52 -0.98 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h5m s ALA 22 N -3.86 3.13 0.16 5.41 0.00 -1.04 -2.97 121.76 122.59 2h5m s ALA 22 Ca 0.63 -0.25 0.18 0.00 0.00 0.00 0.00 51.96 52.52 2h5m s ALA 22 Cb 0.50 -3.90 0.61 0.00 0.00 0.00 0.00 23.12 20.33 2h5m s ALA 22 CO -0.06 -2.25 1.70 -0.07 0.00 0.00 0.00 175.76 175.08 2h5m h LEU 23 N 11.63 0.00 -7.30 0.00 3.38 -0.97 -3.44 115.31 118.61 2h5m h LEU 23 Ca -0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 2h5m h LEU 23 Cb 1.09 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 2h5m h LEU 23 CO 1.09 0.41 -0.39 0.00 0.09 0.00 0.00 178.44 179.65 2h5m s ALA 24 N -3.57 -0.80 -0.05 1.53 0.00 -0.88 0.07 121.76 118.06 2h5m s ALA 24 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 2h5m s ALA 24 Cb 0.11 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2h5m s ALA 24 CO 0.70 -0.23 0.20 -2.00 0.00 0.00 0.00 175.76 174.43 2h5m s GLU 25 N 1.24 0.32 -0.01 0.00 2.12 0.88 -0.02 118.70 123.24 2h5m s GLU 25 Ca -0.09 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2h5m s GLU 25 Cb -0.09 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.46 2h5m s GLU 25 CO -0.10 -0.06 0.01 -1.50 -0.54 0.00 0.00 175.26 173.07 2h5m s ILE 26 N -0.33 -0.01 0.05 -3.70 2.07 0.48 -0.27 121.20 119.49 2h5m s ILE 26 Ca -0.04 0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.36 2h5m s ILE 26 Cb -0.03 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.48 2h5m s ILE 26 CO 0.01 0.04 -0.23 0.42 -1.91 0.00 0.00 174.94 173.27 2h5m s THR 27 N 0.43 1.88 0.08 4.00 -4.23 0.06 -0.98 115.64 116.88 2h5m s THR 27 Ca -0.04 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2h5m s THR 27 Cb -0.05 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 2h5m s THR 27 CO -0.01 0.25 0.01 -0.72 -0.54 0.00 0.00 174.62 173.61 2h5m s TYR 28 N -0.83 0.61 0.02 3.99 1.13 -0.97 -2.20 117.35 119.09 2h5m s TYR 28 Ca 0.09 -1.09 -0.17 0.00 -1.41 0.00 0.00 57.07 54.49 2h5m s TYR 28 Cb -0.09 -0.40 0.03 0.00 -1.10 0.00 0.00 41.96 40.40 2h5m s TYR 28 CO 0.02 -0.44 0.38 0.50 -2.51 0.00 0.00 175.55 173.50 2h5m s ARG 29 N -3.96 0.83 -0.38 -3.49 3.52 -0.66 -4.76 118.95 110.04 2h5m s ARG 29 Ca 0.12 -0.27 -0.23 0.00 -0.13 0.00 0.00 55.73 55.22 2h5m s ARG 29 Cb 0.08 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 2h5m s ARG 29 CO -0.06 -0.26 0.79 -0.06 -0.81 0.00 0.00 175.30 174.90 2h5m s PHE 30 N -1.98 3.08 -0.05 5.12 0.40 -1.26 -0.11 117.98 123.18 2h5m s PHE 30 Ca -0.09 0.49 0.12 0.00 -0.60 0.00 0.00 56.93 56.85 2h5m s PHE 30 Cb -0.02 -3.47 -0.05 0.00 0.51 0.00 0.00 43.02 39.98 2h5m s PHE 30 CO 0.01 -0.79 1.37 -0.39 0.70 0.00 0.00 175.22 176.11 2h5m h VAL 31 N 5.81 1.19 0.00 -0.44 -1.51 -1.70 -3.46 116.25 116.14 2h5m h VAL 31 Ca -0.25 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 62.53 2h5m h VAL 31 Cb 1.09 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 2h5m h VAL 31 CO 0.93 0.68 0.00 -0.67 -1.23 0.00 0.00 177.57 177.28 2h5m n ASP 32 N -3.27 0.00 0.12 4.19 -0.08 -1.26 -5.07 116.55 111.18 2h5m n ASP 32 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2h5m n ASP 32 Cb 0.82 0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.31 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 -1.59 0.17 -0.08 1.67 3.02 -1.26 -4.94 115.26 112.25 2h5m n ASN 33 Ca 0.00 0.40 0.01 0.00 -0.03 0.00 0.00 54.58 54.96 2h5m n ASN 33 Cb 0.00 0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 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 -3.48 0.98 -4.59 6.41 4.13 -1.26 -4.98 115.26 112.47 2h5m n ASN 34 Ca 0.00 -0.99 -0.42 0.00 1.68 0.00 0.00 54.58 54.85 2h5m n ASN 34 Cb 0.00 0.22 -0.05 0.00 -1.54 0.00 0.00 39.78 38.41 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2h5m s GLU 35 N -0.44 3.80 -0.26 3.52 8.01 -1.26 -0.23 118.70 131.84 2h5m s GLU 35 Ca 0.03 0.39 -0.09 0.00 0.01 0.00 0.00 54.97 55.30 2h5m s GLU 35 Cb 0.02 -3.80 -0.04 0.00 -4.31 0.00 0.00 34.13 26.01 2h5m s GLU 35 CO 0.05 -0.84 0.13 0.96 0.01 0.00 0.00 175.26 175.57 2h5m s ILE 36 N 3.13 4.79 -0.26 -1.63 -4.36 0.11 -1.63 121.20 121.35 2h5m s ILE 36 Ca 0.32 -0.01 -0.09 0.00 -0.26 0.00 0.00 60.65 60.62 2h5m s ILE 36 Cb -0.13 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2h5m s ILE 36 CO 0.16 0.30 0.12 0.21 0.24 0.00 0.00 174.94 175.98 2h5m s ASN 37 N 1.63 5.49 -0.38 4.36 2.47 0.84 -1.18 114.94 128.18 2h5m s ASN 37 Ca 0.07 -0.13 -0.27 0.00 0.42 0.00 0.00 52.86 52.95 2h5m s ASN 37 Cb -0.15 -2.00 0.02 0.00 -1.45 0.00 0.00 41.25 37.66 2h5m s ASN 37 CO 0.07 -0.04 1.01 -0.63 -3.72 0.00 0.00 177.10 173.79 2h5m s ILE 38 N 1.67 4.49 -0.23 -5.21 1.01 0.71 -1.66 121.20 121.98 2h5m s ILE 38 Ca 0.07 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.91 2h5m s ILE 38 Cb -0.15 -4.41 -0.09 0.00 0.01 0.00 0.00 42.46 37.81 2h5m s ILE 38 CO 0.07 -0.62 -0.35 -0.67 0.00 0.00 0.00 174.94 173.37 2h5m n ASP 39 N 7.01 1.91 -4.55 3.58 2.03 -0.93 -0.77 116.55 124.82 2h5m n ASP 39 Ca 0.09 0.33 -0.33 0.00 0.52 0.00 0.00 54.79 55.40 2h5m n ASP 39 Cb 0.48 -0.77 -0.12 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.66 2.85 -0.03 -0.67 2.46 -1.25 -3.66 115.29 112.32 2h5m s HIS 40 Ca -0.34 -0.05 -0.05 0.00 0.47 0.00 0.00 55.06 55.09 2h5m s HIS 40 Cb 0.10 -1.65 0.01 0.00 -0.13 0.00 0.00 32.58 30.91 2h5m s HIS 40 CO 0.45 0.30 0.12 0.99 -2.47 0.00 0.00 174.74 174.13 2h5m s THR 41 N -0.85 0.03 -0.30 0.89 2.01 -1.26 -0.76 115.64 115.40 2h5m s THR 41 Ca 0.13 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 2h5m s THR 41 Cb -0.11 -0.25 0.17 0.00 0.01 0.00 0.00 72.50 72.32 2h5m s THR 41 CO 0.03 -0.13 0.72 -0.83 -0.69 0.00 0.00 174.62 173.72 2h5m s GLY 42 N -0.39 -0.74 0.04 4.40 0.00 0.63 -4.98 107.32 106.27 2h5m s GLY 42 Ca -0.05 2.25 0.08 0.00 0.00 0.00 0.00 44.72 47.01 2h5m s GLY 42 CO 0.00 3.33 -0.22 0.14 0.00 0.00 0.00 173.10 176.35 2h5m s VAL 43 N 2.84 1.79 -0.25 1.40 1.01 -1.26 -0.08 120.40 125.84 2h5m s VAL 43 Ca 0.08 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 2h5m s VAL 43 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2h5m s VAL 43 CO -0.19 0.26 1.51 -0.44 0.00 0.00 0.00 175.10 176.24 2h5m s SER 44 N -1.18 6.47 0.19 3.32 0.01 0.11 -4.85 113.70 117.78 2h5m s SER 44 Ca 0.09 1.46 0.26 0.00 1.31 0.00 0.00 55.95 59.06 2h5m s SER 44 Cb -0.09 -2.53 0.75 0.00 0.21 0.00 0.00 66.02 64.36 2h5m s SER 44 CO 0.02 -1.21 1.72 -0.90 0.41 0.00 0.00 173.24 173.28 2h5m n ASP 45 N 8.21 0.79 0.15 2.44 5.75 -1.26 -1.87 116.55 130.75 2h5m n ASP 45 Ca 0.17 0.51 0.03 0.00 -0.01 0.00 0.00 54.79 55.49 2h5m n ASP 45 Cb 0.46 -0.66 0.08 0.00 -1.03 0.00 0.00 41.12 39.97 2h5m n ASP 45 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2h5m h GLU 46 N 0.00 0.00 0.08 0.11 3.07 -2.00 -3.22 114.58 112.62 2h5m h GLU 46 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 2h5m h GLU 46 Cb 0.74 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2h5m h GLU 46 CO 0.00 0.50 -1.80 1.25 -1.40 0.00 0.00 179.01 177.56 2h5m h LEU 47 N 0.00 0.28 -0.45 1.33 6.46 -1.92 -3.49 115.31 117.52 2h5m h LEU 47 Ca -0.00 -0.56 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2h5m h LEU 47 Cb 1.31 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2h5m h LEU 47 CO 0.06 1.49 0.00 0.61 -0.62 0.00 0.00 178.44 179.99 2h5m n GLY 48 N 1.78 0.55 2.92 3.75 0.00 -0.78 -4.98 105.19 108.43 2h5m n GLY 48 Ca -0.23 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.23 3.69 0.05 -0.02 0.00 -1.02 -4.62 105.19 103.05 2h5m n GLY 49 Ca 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 2h5m n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2h5m h GLN 50 N 6.73 0.00 0.01 1.61 4.20 -1.94 -3.23 115.11 122.49 2h5m h GLN 50 Ca 0.51 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 59.02 2h5m h GLN 50 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2h5m h GLN 50 CO 1.85 0.12 -0.92 0.78 -0.67 0.00 0.00 178.83 179.98 2h5m h GLY 51 N -1.00 0.09 0.79 3.46 0.00 -2.00 -3.26 103.07 101.14 2h5m h GLY 51 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.18 2h5m h GLY 51 CO -0.00 0.16 0.33 -2.08 0.00 0.00 0.00 176.54 174.94 2h5m h VAL 52 N 0.04 1.01 -0.25 4.60 2.07 -1.90 0.39 116.25 122.22 2h5m h VAL 52 Ca -0.03 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2h5m h VAL 52 Cb 1.59 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2h5m h VAL 52 CO 0.13 0.12 -0.08 1.23 0.02 0.00 0.00 177.57 178.99 2h5m h GLY 53 N 0.63 0.42 1.57 2.17 0.00 -1.61 -2.45 103.07 103.80 2h5m h GLY 53 Ca 0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 2h5m h GLY 53 CO -0.13 0.24 -0.78 0.50 0.00 0.00 0.00 176.54 176.36 2h5m h LYS 54 N 0.37 0.41 -0.04 4.80 1.57 -1.37 -2.96 116.57 119.35 2h5m h LYS 54 Ca 0.08 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2h5m h LYS 54 Cb 0.37 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2h5m h LYS 54 CO 0.02 1.01 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.66 2h5m h LYS 55 N 0.27 -0.03 -0.38 3.15 3.64 -0.47 0.23 116.57 122.98 2h5m h LYS 55 Ca -0.04 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2h5m h LYS 55 Cb 1.37 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2h5m h LYS 55 CO 0.13 -0.02 0.01 1.37 -2.27 0.00 0.00 179.45 178.67 2h5m h LEU 56 N -0.03 0.65 -0.75 5.20 8.10 -1.58 -2.09 115.31 124.81 2h5m h LEU 56 Ca 0.03 -0.30 -0.06 0.00 0.11 0.00 0.00 57.88 57.66 2h5m h LEU 56 Cb 0.07 -0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 40.09 2h5m h LEU 56 CO -0.06 0.79 0.24 0.25 -4.11 0.00 0.00 178.44 175.55 2h5m h LEU 57 N 0.49 1.09 -0.86 0.17 5.85 -1.37 -2.43 115.31 118.25 2h5m h LEU 57 Ca 0.11 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2h5m h LEU 57 Cb 0.45 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2h5m h LEU 57 CO 0.02 1.01 0.56 0.50 -0.34 0.00 0.00 178.44 180.18 2h5m h LYS 58 N 1.12 1.05 -0.29 1.25 3.64 -0.38 -1.17 116.57 121.79 2h5m h LYS 58 Ca 0.24 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2h5m h LYS 58 Cb 0.30 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2h5m h LYS 58 CO -0.01 0.69 -0.07 0.00 -2.27 0.00 0.00 179.45 177.79 2h5m h ALA 59 N 1.36 1.35 -0.35 5.00 0.00 -0.93 -0.01 119.26 125.69 2h5m h ALA 59 Ca 0.35 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2h5m h ALA 59 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2h5m h ALA 59 CO -0.12 0.44 -0.11 0.28 0.00 0.00 0.00 179.25 179.74 2h5m h VAL 60 N 0.43 1.28 -0.56 0.00 2.07 -0.83 -0.54 116.25 118.11 2h5m h VAL 60 Ca 0.09 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2h5m h VAL 60 Cb 0.40 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2h5m h VAL 60 CO 0.02 0.39 0.16 0.58 0.02 0.00 0.00 177.57 178.74 2h5m h VAL 61 N 0.47 1.24 -0.21 2.57 2.07 -0.81 0.22 116.25 121.80 2h5m h VAL 61 Ca 0.08 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2h5m h VAL 61 Cb 0.63 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2h5m h VAL 61 CO 0.04 0.31 0.04 -0.33 0.02 0.00 0.00 177.57 177.65 2h5m h GLU 62 N 0.79 0.34 -0.10 1.57 5.08 -0.93 -2.62 114.58 118.69 2h5m h GLU 62 Ca 0.18 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2h5m h GLU 62 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2h5m h GLU 62 CO -0.00 0.48 -0.25 1.25 -1.00 0.00 0.00 179.01 179.48 2h5m h HIS 63 N 0.14 0.20 -0.30 4.33 2.76 -0.98 -2.75 115.15 118.55 2h5m h HIS 63 Ca 0.06 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2h5m h HIS 63 Cb 0.30 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2h5m h HIS 63 CO 0.02 0.43 0.18 0.00 -1.30 0.00 0.00 177.93 177.26 2h5m h ALA 64 N 1.58 0.38 -0.31 5.26 0.00 -0.70 -2.30 119.26 123.16 2h5m h ALA 64 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2h5m h ALA 64 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2h5m h ALA 64 CO 0.04 -0.12 0.03 -0.09 0.00 0.00 0.00 179.25 179.11 2h5m h ARG 65 N 0.39 0.47 -0.91 0.00 9.65 -1.21 0.35 114.38 123.12 2h5m h ARG 65 Ca 0.11 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2h5m h ARG 65 Cb 0.01 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 2h5m h ARG 65 CO -0.02 0.47 0.60 0.93 2.80 0.00 0.00 179.97 184.75 2h5m h GLU 66 N 0.45 1.17 -0.44 0.20 5.08 -1.14 -2.53 114.58 117.37 2h5m h GLU 66 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2h5m h GLU 66 Cb 0.25 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2h5m h GLU 66 CO 0.00 0.78 0.00 0.09 -1.00 0.00 0.00 179.01 178.88 2h5m n ASN 67 N -4.41 3.54 -3.51 1.42 3.02 -0.95 -4.96 115.26 109.42 2h5m n ASN 67 Ca 0.11 -2.23 -0.25 0.00 -0.03 0.00 0.00 54.58 52.17 2h5m n ASN 67 Cb 0.04 -0.38 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.63 -5.59 -4.88 6.41 5.15 -0.04 -4.97 115.26 111.97 2h5m n ASN 68 Ca 0.17 -0.52 -0.30 0.00 -0.60 0.00 0.00 54.58 53.33 2h5m n ASN 68 Cb 0.60 -4.46 0.02 0.00 -0.53 0.00 0.00 39.78 35.41 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 -7.05 3.20 -0.15 1.20 1.43 0.10 -4.98 118.68 112.44 2h5m s LEU 69 Ca 0.52 1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2h5m s LEU 69 Cb -0.24 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 2h5m s LEU 69 CO 0.64 -0.97 -0.06 -0.54 0.23 0.00 0.00 176.35 175.65 2h5m s LYS 70 N -5.14 3.60 -0.22 1.70 3.01 0.68 -4.68 119.74 118.69 2h5m s LYS 70 Ca 0.55 -0.55 -0.10 0.00 -1.01 0.00 0.00 55.97 54.86 2h5m s LYS 70 Cb -0.11 -2.85 -0.05 0.00 -1.01 0.00 0.00 37.83 33.81 2h5m s LYS 70 CO 0.51 0.25 0.13 0.42 0.51 0.00 0.00 175.35 177.17 2h5m s ILE 71 N 0.33 5.27 0.10 2.17 1.01 0.69 0.09 121.20 130.85 2h5m s ILE 71 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.76 2h5m s ILE 71 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2h5m s ILE 71 CO 0.03 0.40 -0.07 0.27 0.00 0.00 0.00 174.94 175.57 2h5m s ILE 72 N 0.71 0.75 -0.12 2.92 -4.36 -0.32 -1.54 121.20 119.24 2h5m s ILE 72 Ca 0.07 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.50 2h5m s ILE 72 Cb -0.12 -1.60 0.04 0.00 1.25 0.00 0.00 42.46 42.03 2h5m s ILE 72 CO 0.01 -0.80 0.32 0.00 0.24 0.00 0.00 174.94 174.71 2h5m s ALA 73 N -3.35 -0.78 -0.09 2.27 0.00 -1.26 -0.21 121.76 118.34 2h5m s ALA 73 Ca 0.10 1.02 0.21 0.00 0.00 0.00 0.00 51.96 53.29 2h5m s ALA 73 Cb 0.03 -0.61 -0.28 0.00 0.00 0.00 0.00 23.12 22.27 2h5m s ALA 73 CO -0.03 -0.18 0.49 -1.13 0.00 0.00 0.00 175.76 174.91 2h5m n SER 74 N 3.41 0.14 -4.72 0.00 3.41 0.05 -4.76 113.62 111.15 2h5m n SER 74 Ca -0.17 0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.08 2h5m n SER 74 Cb 0.56 1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 66.02 2h5m n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h5m h SER 76 N 6.61 0.45 -0.02 0.00 0.02 -1.91 0.96 113.55 119.66 2h5m h SER 76 Ca -0.42 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2h5m h SER 76 Cb 1.21 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2h5m h SER 76 CO 0.83 0.36 0.01 0.15 -1.14 0.00 0.00 176.83 177.04 2h5m h PHE 77 N 0.49 0.03 -0.39 3.45 3.57 -1.97 0.14 116.94 122.26 2h5m h PHE 77 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2h5m h PHE 77 Cb -0.01 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2h5m h PHE 77 CO -0.04 0.20 0.23 0.00 -2.23 0.00 0.00 178.31 176.47 2h5m h ALA 78 N 0.83 0.50 -0.64 2.41 0.00 -1.92 -1.39 119.26 119.05 2h5m h ALA 78 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2h5m h ALA 78 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2h5m h ALA 78 CO -0.00 -0.00 0.17 -0.22 0.00 0.00 0.00 179.25 179.20 2h5m h LYS 79 N 0.51 1.01 -0.96 0.00 3.64 -0.72 -2.15 116.57 117.91 2h5m h LYS 79 Ca 0.14 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2h5m h LYS 79 Cb 0.01 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 2h5m h LYS 79 CO -0.03 0.91 0.62 1.25 -2.27 0.00 0.00 179.45 179.93 2h5m h HIS 80 N 0.94 1.17 -0.62 1.91 2.76 -0.35 0.44 115.15 121.39 2h5m h HIS 80 Ca 0.20 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2h5m h HIS 80 Cb 0.34 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2h5m h HIS 80 CO 0.02 0.67 0.16 0.52 -1.30 0.00 0.00 177.93 178.01 2h5m h MET 81 N 1.21 0.99 -0.29 5.26 2.86 -0.87 0.81 114.93 124.90 2h5m h MET 81 Ca 0.38 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.63 2h5m h MET 81 Cb 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2h5m h MET 81 CO -0.12 0.90 -0.47 -0.07 1.06 0.00 0.00 176.91 178.21 2h5m h LEU 82 N 0.91 0.82 -0.51 1.22 3.38 -0.69 -0.62 115.31 119.83 2h5m h LEU 82 Ca 0.20 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 2h5m h LEU 82 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2h5m h LEU 82 CO 0.00 1.16 -0.24 -0.33 0.09 0.00 0.00 178.44 179.12 2h5m h GLU 83 N 0.60 0.97 -0.12 1.13 5.08 0.06 -3.11 114.58 119.18 2h5m h GLU 83 Ca 0.03 -0.42 -0.18 0.00 -1.00 0.00 0.00 59.36 57.79 2h5m h GLU 83 Cb 1.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2h5m h GLU 83 CO 0.10 1.09 -0.67 -0.22 -1.00 0.00 0.00 179.01 178.31 2h5m h LYS 84 N 0.83 0.50 -4.83 2.33 3.64 -0.79 -3.37 116.57 114.89 2h5m h LYS 84 Ca 0.10 -0.38 -0.72 0.00 -1.27 0.00 0.00 60.65 58.39 2h5m h LYS 84 Cb 0.81 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.52 2h5m h LYS 84 CO 0.07 1.00 1.09 -2.00 -2.27 0.00 0.00 179.45 177.33 2h5m s GLU 85 N -3.76 3.87 0.59 1.90 2.56 -0.24 -4.83 118.70 118.79 2h5m s GLU 85 Ca -0.07 -2.24 0.30 0.00 0.00 0.00 0.00 54.97 52.97 2h5m s GLU 85 Cb 0.10 -4.98 1.80 0.00 2.00 0.00 0.00 34.13 33.05 2h5m s GLU 85 CO 0.85 -1.75 2.21 0.22 -0.56 0.00 0.00 175.26 176.23 2h5m h ASP 86 N 7.88 0.00 0.60 -1.70 3.58 -1.74 0.11 116.42 125.16 2h5m h ASP 86 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2h5m h ASP 86 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2h5m h ASP 86 CO 1.17 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 176.33 2h5m n SER 87 N -3.79 0.00 -0.57 2.28 7.64 -1.26 -2.09 113.62 115.84 2h5m n SER 87 Ca -0.02 0.49 0.12 0.00 1.01 0.00 0.00 58.87 60.48 2h5m n SER 87 Cb 0.16 -0.50 0.20 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.50 0.00 1.59 1.43 4.02 0.38 -4.12 117.16 118.97 2h5m n TYR 88 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.98 2h5m n TYR 88 Cb 0.20 -0.03 0.27 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.25 0.80 0.15 -0.72 6.02 -0.89 -1.65 117.38 121.33 2h5m n GLN 89 Ca 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.14 2h5m n GLN 89 Cb 0.46 -1.18 0.17 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.80 -3.35 116.42 114.38 2h5m h ASP 90 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 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 0.51 -0.81 1.33 -1.03 0.00 0.00 179.24 179.24 2h5m n VAL 91 N -3.43 0.00 -3.06 4.15 0.24 -1.10 -5.03 118.33 110.10 2h5m n VAL 91 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.91 2h5m n VAL 91 Cb 0.64 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.66 3.65 -1.38 6.34 5.04 -0.66 -0.22 117.35 128.46 2h5m s TYR 92 Ca 0.00 1.31 -0.16 0.00 -2.44 0.00 0.00 57.07 55.78 2h5m s TYR 92 Cb 0.00 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.59 2h5m s TYR 92 CO 0.00 0.20 2.04 1.28 -1.34 0.00 0.00 175.55 177.73 2h5m n LEU 93 N 3.24 6.03 -0.00 6.97 4.77 -0.59 -4.42 117.00 133.00 2h5m n LEU 93 Ca -0.03 -4.01 0.05 0.00 -0.03 0.00 0.00 56.01 52.00 2h5m n LEU 93 Cb 0.51 -1.68 -0.08 0.00 -2.33 0.00 0.00 43.42 39.84 2h5m n LEU 93 CO 0.46 0.67 -0.36 0.61 -1.33 0.00 0.00 177.39 177.45 2h5m n GLY 94 N 4.61 -0.29 3.22 -0.72 0.00 -1.26 -4.75 105.19 106.00 2h5m n GLY 94 Ca 0.51 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.60 5.85 -0.07 0.99 -0.00 -1.26 -4.68 117.00 116.23 2h5m n LEU 95 Ca -0.00 -5.08 -0.05 0.00 -0.00 0.00 0.00 56.01 50.87 2h5m n LEU 95 Cb 0.24 -1.41 -0.03 0.00 -0.00 0.00 0.00 43.42 42.22 2h5m n LEU 95 CO 0.23 1.45 -0.15 1.05 -0.00 0.00 0.00 177.39 179.98 2h5m h GLU 96 N 6.23 0.00 0.00 1.47 -0.00 -1.97 -3.49 114.58 116.81 2h5m h GLU 96 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.55 2h5m h GLU 96 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.53 2h5m h GLU 96 CO 1.14 0.19 0.00 -2.39 -0.00 0.00 0.00 179.01 177.96 2h5m n HIS 97 N -4.67 0.00 0.01 2.06 1.44 -1.26 -4.99 115.22 107.81 2h5m n HIS 97 Ca -0.07 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.48 2h5m n HIS 97 Cb 0.22 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.19 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 0.31 -2.55 -1.40 2.07 -1.94 -3.50 115.15 108.14 2h5m h HIS 98 Ca 0.00 -0.23 0.23 0.00 -2.85 0.00 0.00 60.37 57.52 2h5m h HIS 98 Cb 0.00 -0.01 -0.06 0.00 2.57 0.00 0.00 27.41 29.91 2h5m h HIS 98 CO 0.00 1.44 -0.30 0.72 -3.07 0.00 0.00 177.93 176.72 2h5m n HIS 99 N -3.32 -2.93 0.00 6.12 8.25 -1.26 -4.78 115.22 117.30 2h5m n HIS 99 Ca -0.24 1.05 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2h5m n HIS 99 Cb 1.05 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 30.32 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 -3.17 0.00 0.00 4.41 -0.00 -1.26 -3.81 115.22 111.39 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 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 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 0.00 -0.72 1.57 -0.00 -1.26 -5.18 115.22 109.63 2h5m n HIS 101 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2h5m n HIS 101 Cb 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38