#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5m s SER 2 N 0.00 6.98 0.49 7.83 0.01 -1.26 -4.95 113.70 122.81 2h5m s SER 2 Ca 0.00 -2.78 0.05 0.00 1.31 0.00 0.00 55.95 54.53 2h5m s SER 2 Cb 0.00 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2h5m s SER 2 CO 0.00 -0.92 0.21 0.21 0.41 0.00 0.00 173.24 173.15 2h5m s ASN 3 N 3.39 4.40 -1.36 2.44 3.84 -1.26 -4.73 114.94 121.66 2h5m s ASN 3 Ca 0.47 -1.33 -0.08 0.00 0.21 0.00 0.00 52.86 52.13 2h5m s ASN 3 Cb -0.00 0.19 0.02 0.00 -0.55 0.00 0.00 41.25 40.90 2h5m s ASN 3 CO 0.03 -0.86 1.13 0.18 -2.79 0.00 0.00 177.10 174.80 2h5m n LEU 4 N -1.45 -3.40 -4.93 3.21 4.32 -1.26 -4.99 117.00 108.51 2h5m n LEU 4 Ca -0.07 -0.58 -0.29 0.00 -0.02 0.00 0.00 56.01 55.04 2h5m n LEU 4 Cb 0.65 -2.99 0.16 0.00 -1.62 0.00 0.00 43.42 39.62 2h5m n LEU 4 CO 0.41 0.60 0.83 -1.61 -1.22 0.00 0.00 177.39 176.40 2h5m s GLU 5 N -6.21 1.03 -0.77 3.23 2.02 -1.26 -4.97 118.70 111.77 2h5m s GLU 5 Ca 0.51 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.90 2h5m s GLU 5 Cb -0.23 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 32.13 2h5m s GLU 5 CO 0.74 -2.15 1.29 0.42 0.02 0.00 0.00 175.26 175.58 2h5m s ILE 6 N -3.77 3.75 -0.36 -1.63 1.01 -1.26 -4.68 121.20 114.25 2h5m s ILE 6 Ca 0.71 0.28 -0.23 0.00 0.00 0.00 0.00 60.65 61.40 2h5m s ILE 6 Cb -0.06 -4.93 0.01 0.00 0.01 0.00 0.00 42.46 37.49 2h5m s ILE 6 CO 0.51 -1.86 0.76 -0.54 0.00 0.00 0.00 174.94 173.81 2h5m s LYS 7 N 5.64 3.74 0.32 2.79 1.02 -0.94 -4.93 119.74 127.38 2h5m s LYS 7 Ca 0.36 0.27 -0.27 0.00 0.02 0.00 0.00 55.97 56.35 2h5m s LYS 7 Cb -0.07 -3.81 -0.09 0.00 -0.52 0.00 0.00 37.83 33.33 2h5m s LYS 7 CO 0.12 -0.84 1.05 1.14 -0.92 0.00 0.00 175.35 175.91 2h5m s GLN 8 N 3.05 4.48 0.00 1.68 -2.07 -1.26 -0.50 119.66 125.03 2h5m s GLN 8 Ca 0.30 1.63 0.00 0.00 -1.82 0.00 0.00 55.36 55.48 2h5m s GLN 8 Cb -0.13 -2.93 0.00 0.00 -1.09 0.00 0.00 33.01 28.86 2h5m s GLN 8 CO 0.17 0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.66 2h5m n GLY 9 N 0.86 4.53 3.55 2.60 0.00 0.12 -4.90 105.19 111.95 2h5m n GLY 9 Ca 0.01 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 2h5m n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h5m s GLU 10 N -1.42 2.19 -1.40 1.61 -1.05 -1.26 -2.69 118.70 114.67 2h5m s GLU 10 Ca 0.00 0.63 -0.10 0.00 -0.15 0.00 0.00 54.97 55.35 2h5m s GLU 10 Cb 0.00 -4.69 0.02 0.00 -0.44 0.00 0.00 34.13 29.03 2h5m s GLU 10 CO 0.00 -3.47 1.12 0.09 0.95 0.00 0.00 175.26 173.95 2h5m n ASN 11 N 15.47 -6.10 -3.25 0.83 4.13 -1.26 -4.95 115.26 120.13 2h5m n ASN 11 Ca 0.36 -0.57 -0.06 0.00 1.68 0.00 0.00 54.58 55.99 2h5m n ASN 11 Cb 0.50 -4.82 0.01 0.00 -1.54 0.00 0.00 39.78 33.93 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 -6.35 1.78 -0.01 3.52 -2.85 -1.10 -2.08 119.74 112.66 2h5m s LYS 12 Ca 0.59 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 2h5m s LYS 12 Cb -0.27 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2h5m s LYS 12 CO 0.73 -0.83 -0.02 -0.06 0.10 0.00 0.00 175.35 175.28 2h5m s PHE 13 N -2.52 0.23 0.05 1.78 0.08 -0.23 0.12 117.98 117.48 2h5m s PHE 13 Ca 0.17 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.14 2h5m s PHE 13 Cb -0.04 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.19 2h5m s PHE 13 CO 0.08 -0.04 0.10 1.52 -0.10 0.00 0.00 175.22 176.79 2h5m s TYR 14 N 0.25 0.21 -0.19 0.36 1.13 0.34 -0.50 117.35 118.96 2h5m s TYR 14 Ca -0.02 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.10 2h5m s TYR 14 Cb -0.05 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.70 2h5m s TYR 14 CO -0.01 -0.40 -0.17 0.42 -2.51 0.00 0.00 175.55 172.88 2h5m s ILE 15 N -2.92 1.98 0.00 -3.49 1.01 0.54 -2.20 121.20 116.12 2h5m s ILE 15 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2h5m s ILE 15 Cb 0.01 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2h5m s ILE 15 CO -0.06 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2h5m n GLY 16 N 4.62 0.86 0.17 6.18 0.00 -1.26 -1.30 105.19 114.45 2h5m n GLY 16 Ca -0.19 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.28 -3.47 1.61 3.58 -1.98 -3.47 116.42 112.41 2h5m h ASP 17 Ca 0.00 -0.25 -0.50 0.00 0.42 0.00 0.00 57.03 56.70 2h5m h ASP 17 Cb 0.00 0.07 -0.17 0.00 1.72 0.00 0.00 39.33 40.95 2h5m h ASP 17 CO 0.00 0.20 -0.77 -0.62 -2.88 0.00 0.00 179.24 175.18 2h5m s ASP 18 N -5.27 2.62 0.43 2.28 2.15 -1.26 -5.03 116.67 112.58 2h5m s ASP 18 Ca -0.12 -0.90 0.10 0.00 0.43 0.00 0.00 52.55 52.06 2h5m s ASP 18 Cb 0.01 -0.15 0.95 0.00 -0.30 0.00 0.00 42.92 43.43 2h5m s ASP 18 CO 0.46 -0.07 2.04 -0.33 -0.17 0.00 0.00 175.17 177.10 2h5m h GLU 19 N 3.08 0.44 0.00 4.34 5.08 -1.99 0.29 114.58 125.82 2h5m h GLU 19 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2h5m h GLU 19 Cb 1.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2h5m h GLU 19 CO 0.54 0.29 0.00 -0.97 -1.00 0.00 0.00 179.01 177.87 2h5m h ASN 20 N 0.46 0.00 -0.43 1.42 -0.73 -2.01 -3.01 115.58 111.28 2h5m h ASN 20 Ca 0.17 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 58.02 2h5m h ASN 20 Cb 0.13 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.41 2h5m h ASN 20 CO -0.04 0.00 -0.81 0.59 -0.37 0.00 0.00 177.43 176.79 2h5m n ASN 21 N -2.52 3.16 -4.62 1.15 3.02 -0.01 -5.03 115.26 110.40 2h5m n ASN 21 Ca 0.03 -3.32 -0.43 0.00 -0.03 0.00 0.00 54.58 50.83 2h5m n ASN 21 Cb 0.32 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.21 3.28 0.29 5.41 0.00 -0.62 -4.28 121.76 122.63 2h5m s ALA 22 Ca 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 2h5m s ALA 22 Cb 0.38 -3.82 0.42 0.00 0.00 0.00 0.00 23.12 20.11 2h5m s ALA 22 CO -0.02 -1.94 1.95 -0.07 0.00 0.00 0.00 175.76 175.68 2h5m h LEU 23 N 11.19 0.98 -7.52 0.00 3.38 -1.52 -3.43 115.31 118.39 2h5m h LEU 23 Ca -0.26 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 2h5m h LEU 23 Cb 1.10 -0.24 -0.27 0.00 0.09 0.00 0.00 40.66 41.34 2h5m h LEU 23 CO 1.05 0.70 -0.52 0.00 0.09 0.00 0.00 178.44 179.75 2h5m s ALA 24 N -5.96 -0.42 -0.07 1.53 0.00 -1.12 -1.44 121.76 114.28 2h5m s ALA 24 Ca -0.12 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 2h5m s ALA 24 Cb 0.18 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2h5m s ALA 24 CO 0.80 -0.10 0.15 -2.00 0.00 0.00 0.00 175.76 174.61 2h5m s GLU 25 N 0.33 0.10 -0.02 0.00 2.12 -0.24 -0.33 118.70 120.66 2h5m s GLU 25 Ca -0.02 0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.76 2h5m s GLU 25 Cb -0.03 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 2h5m s GLU 25 CO -0.01 -0.17 -0.23 -1.50 -0.54 0.00 0.00 175.26 172.81 2h5m s ILE 26 N 1.18 1.79 0.09 -3.70 2.07 0.35 -0.88 121.20 122.10 2h5m s ILE 26 Ca -0.09 -0.98 0.09 0.00 -1.41 0.00 0.00 60.65 58.26 2h5m s ILE 26 Cb -0.11 -1.49 -0.03 0.00 0.13 0.00 0.00 42.46 40.95 2h5m s ILE 26 CO -0.06 0.50 -0.23 0.42 -1.91 0.00 0.00 174.94 173.66 2h5m s THR 27 N -0.54 1.92 -0.01 4.00 -4.23 -0.67 -1.07 115.64 115.05 2h5m s THR 27 Ca 0.09 -1.51 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2h5m s THR 27 Cb -0.09 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.05 2h5m s THR 27 CO -0.01 0.10 0.01 -0.72 -0.54 0.00 0.00 174.62 173.47 2h5m s TYR 28 N -1.00 -0.01 0.13 3.99 1.13 -0.88 -0.97 117.35 119.73 2h5m s TYR 28 Ca 0.10 0.04 0.04 0.00 -1.41 0.00 0.00 57.07 55.84 2h5m s TYR 28 Cb -0.10 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 2h5m s TYR 28 CO 0.04 -0.01 -0.10 0.50 -2.51 0.00 0.00 175.55 173.47 2h5m s ARG 29 N 0.06 0.98 -0.45 -3.49 6.06 0.67 -4.66 118.95 118.12 2h5m s ARG 29 Ca -0.00 -1.35 -0.20 0.00 -2.50 0.00 0.00 55.73 51.68 2h5m s ARG 29 Cb -0.01 -0.57 0.03 0.00 0.06 0.00 0.00 34.95 34.46 2h5m s ARG 29 CO -0.00 0.07 0.61 -0.06 -2.50 0.00 0.00 175.30 173.42 2h5m s PHE 30 N -3.05 3.08 0.14 5.12 0.40 -1.26 -0.02 117.98 122.38 2h5m s PHE 30 Ca 0.13 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2h5m s PHE 30 Cb 0.01 -3.30 -0.06 0.00 0.51 0.00 0.00 43.02 40.17 2h5m s PHE 30 CO -0.00 -0.87 1.33 -0.39 0.70 0.00 0.00 175.22 175.99 2h5m h VAL 31 N 5.85 1.39 0.00 -0.44 -1.51 -1.84 -3.45 116.25 116.25 2h5m h VAL 31 Ca -0.26 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 62.86 2h5m h VAL 31 Cb 1.10 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 2h5m h VAL 31 CO 0.89 0.70 0.00 -0.67 -1.23 0.00 0.00 177.57 177.26 2h5m n ASP 32 N -3.78 0.00 0.02 4.19 -0.08 -1.25 -5.07 116.55 110.58 2h5m n ASP 32 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2h5m n ASP 32 Cb 0.80 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.26 2h5m n ASP 32 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2h5m n ASN 33 N -1.00 -0.31 -1.46 1.67 2.85 -1.26 -4.91 115.26 110.85 2h5m n ASN 33 Ca 0.00 0.07 0.10 0.00 -0.11 0.00 0.00 54.58 54.63 2h5m n ASN 33 Cb 0.00 0.70 0.34 0.00 1.24 0.00 0.00 39.78 42.06 2h5m n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h5m n ASN 34 N -2.53 4.47 -4.00 1.20 5.15 -1.26 -4.89 115.26 113.41 2h5m n ASN 34 Ca 0.00 -2.36 -0.23 0.00 -0.60 0.00 0.00 54.58 51.39 2h5m n ASN 34 Cb 0.00 -0.54 -0.16 0.00 -0.53 0.00 0.00 39.78 38.55 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2h5m s GLU 35 N -1.68 1.45 -0.09 1.20 2.02 -1.26 -0.30 118.70 120.04 2h5m s GLU 35 Ca 0.49 -0.35 0.04 0.00 0.02 0.00 0.00 54.97 55.16 2h5m s GLU 35 Cb 0.30 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 33.29 2h5m s GLU 35 CO 0.25 0.03 -0.22 0.96 0.02 0.00 0.00 175.26 176.30 2h5m s ILE 36 N 0.62 1.87 -0.09 -1.63 -4.36 0.03 -2.36 121.20 115.28 2h5m s ILE 36 Ca -0.12 -0.92 -0.02 0.00 -0.26 0.00 0.00 60.65 59.33 2h5m s ILE 36 Cb -0.15 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 2h5m s ILE 36 CO 0.03 0.52 0.00 0.54 0.24 0.00 0.00 174.94 176.27 2h5m s ASN 37 N 0.35 5.24 -0.39 4.36 4.22 0.97 -1.82 114.94 127.86 2h5m s ASN 37 Ca -0.17 0.14 -0.29 0.00 -2.14 0.00 0.00 52.86 50.41 2h5m s ASN 37 Cb -0.17 -1.49 0.02 0.00 1.28 0.00 0.00 41.25 40.89 2h5m s ASN 37 CO 0.07 0.37 1.09 -0.63 -2.04 0.00 0.00 177.10 175.96 2h5m s ILE 38 N -0.84 4.40 0.00 0.54 1.01 0.51 -0.24 121.20 126.58 2h5m s ILE 38 Ca 0.13 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.26 2h5m s ILE 38 Cb -0.11 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2h5m s ILE 38 CO 0.02 -0.70 0.70 -0.67 0.00 0.00 0.00 174.94 174.29 2h5m n ASP 39 N 7.25 0.00 -4.05 3.58 -0.08 -0.14 -2.18 116.55 120.92 2h5m n ASP 39 Ca 0.11 0.78 -0.09 0.00 -1.51 0.00 0.00 54.79 54.09 2h5m n ASP 39 Cb 0.48 -0.38 -0.11 0.00 2.34 0.00 0.00 41.12 43.45 2h5m n ASP 39 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2h5m s HIS 40 N -2.16 0.48 -0.37 -0.67 -3.43 -1.26 -4.22 115.29 103.66 2h5m s HIS 40 Ca 0.00 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2h5m s HIS 40 Cb 0.00 -0.33 0.13 0.00 -1.43 0.00 0.00 32.58 30.95 2h5m s HIS 40 CO 0.00 -0.26 0.19 0.99 -2.00 0.00 0.00 174.74 173.66 2h5m s THR 41 N -2.72 0.74 -0.62 -5.38 2.01 -1.26 -1.66 115.64 106.75 2h5m s THR 41 Ca -0.03 -1.85 -0.16 0.00 0.31 0.00 0.00 61.69 59.97 2h5m s THR 41 Cb -0.01 -1.54 0.15 0.00 0.01 0.00 0.00 72.50 71.12 2h5m s THR 41 CO -0.05 -0.86 0.58 -0.83 -0.69 0.00 0.00 174.62 172.77 2h5m s GLY 42 N 1.04 2.23 0.30 4.40 0.00 -0.06 -4.94 107.32 110.29 2h5m s GLY 42 Ca 0.15 -2.73 0.08 0.00 0.00 0.00 0.00 44.72 42.22 2h5m s GLY 42 CO -0.09 1.23 0.18 0.14 0.00 0.00 0.00 173.10 174.57 2h5m s VAL 43 N 1.27 3.63 0.29 1.40 1.01 -1.26 -1.07 120.40 125.67 2h5m s VAL 43 Ca 0.07 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 2h5m s VAL 43 Cb -0.25 -3.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 2h5m s VAL 43 CO 0.00 -0.25 1.59 -1.54 0.00 0.00 0.00 175.10 174.89 2h5m n SER 44 N -1.19 3.78 0.27 3.32 3.41 -0.52 -4.87 113.62 117.81 2h5m n SER 44 Ca -0.04 1.14 0.18 0.00 -0.26 0.00 0.00 58.87 59.89 2h5m n SER 44 Cb 0.60 -1.58 0.79 0.00 -0.26 0.00 0.00 64.21 63.75 2h5m n SER 44 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2h5m h ASP 45 N 4.79 0.00 0.00 4.04 3.32 -1.98 -2.01 116.42 124.58 2h5m h ASP 45 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2h5m h ASP 45 Cb 1.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2h5m h ASP 45 CO 0.79 0.00 -0.10 -0.62 -1.72 0.00 0.00 179.24 177.59 2h5m n GLU 46 N -2.93 1.18 -3.44 3.56 4.71 -1.26 -4.61 120.64 117.84 2h5m n GLU 46 Ca -0.00 -0.38 -0.25 0.00 -0.01 0.00 0.00 57.16 56.52 2h5m n GLU 46 Cb 0.22 -1.48 0.04 0.00 -1.01 0.00 0.00 31.44 29.21 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 2.07 -2.59 0.00 -4.62 4.77 -1.22 -4.85 117.00 110.56 2h5m n LEU 47 Ca 0.16 -0.49 0.08 0.00 -0.03 0.00 0.00 56.01 55.73 2h5m n LEU 47 Cb 0.56 -2.72 0.36 0.00 -2.33 0.00 0.00 43.42 39.29 2h5m n LEU 47 CO 0.07 0.37 0.76 0.61 -1.33 0.00 0.00 177.39 177.87 2h5m n GLY 48 N -1.61 -1.04 0.26 -0.72 0.00 -0.76 -2.48 105.19 98.83 2h5m n GLY 48 Ca -0.03 -0.06 0.06 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 0.21 -0.36 0.15 -0.02 0.00 -1.26 -0.71 105.19 103.19 2h5m n GLY 49 Ca 0.05 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.92 0.00 0.00 1.61 4.20 -1.88 -3.36 115.11 116.60 2h5m h GLN 50 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h5m h GLN 50 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2h5m h GLN 50 CO 0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2h5m n GLY 51 N 1.16 -0.56 0.08 3.46 0.00 -1.21 -4.80 105.19 103.31 2h5m n GLY 51 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.96 -0.56 1.61 2.07 -1.63 -0.36 116.25 118.33 2h5m h VAL 52 Ca 0.00 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2h5m h VAL 52 Cb 0.00 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2h5m h VAL 52 CO 0.00 0.01 0.03 1.23 0.02 0.00 0.00 177.57 178.86 2h5m h GLY 53 N 0.07 1.01 1.39 2.17 0.00 -1.15 -2.77 103.07 103.79 2h5m h GLY 53 Ca 0.05 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 2h5m h GLY 53 CO -0.06 0.63 -0.00 0.50 0.00 0.00 0.00 176.54 177.61 2h5m h LYS 54 N 0.87 0.75 -0.54 4.80 1.57 -1.63 -1.74 116.57 120.65 2h5m h LYS 54 Ca 0.17 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2h5m h LYS 54 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2h5m h LYS 54 CO 0.02 0.76 0.24 -0.22 -0.57 0.00 0.00 179.45 179.68 2h5m h LYS 55 N 0.70 0.79 -0.53 3.15 3.64 -0.82 0.13 116.57 123.63 2h5m h LYS 55 Ca 0.14 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2h5m h LYS 55 Cb 0.43 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2h5m h LYS 55 CO 0.02 0.66 0.06 -0.07 -2.27 0.00 0.00 179.45 177.85 2h5m h LEU 56 N 0.73 0.86 -0.92 5.20 3.38 -1.22 -2.03 115.31 121.29 2h5m h LEU 56 Ca 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2h5m h LEU 56 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2h5m h LEU 56 CO -0.02 0.91 0.12 -0.07 0.09 0.00 0.00 178.44 179.48 2h5m h LEU 57 N 0.77 0.86 -1.29 1.67 3.38 -1.05 -2.31 115.31 117.35 2h5m h LEU 57 Ca 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2h5m h LEU 57 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2h5m h LEU 57 CO 0.01 0.85 0.11 0.50 0.09 0.00 0.00 178.44 180.00 2h5m h LYS 58 N 0.87 0.59 -0.64 1.13 3.11 -0.40 -0.42 116.57 120.81 2h5m h LYS 58 Ca 0.19 -0.10 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 2h5m h LYS 58 Cb 0.34 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 2h5m h LYS 58 CO 0.00 0.54 0.18 0.00 -2.81 0.00 0.00 179.45 177.36 2h5m h ALA 59 N 1.54 0.84 -0.25 5.00 0.00 -0.81 0.18 119.26 125.75 2h5m h ALA 59 Ca 0.14 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2h5m h ALA 59 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2h5m h ALA 59 CO -0.01 0.53 -0.22 0.28 0.00 0.00 0.00 179.25 179.84 2h5m h VAL 60 N 0.93 1.31 -0.48 0.00 2.07 -1.16 -2.21 116.25 116.71 2h5m h VAL 60 Ca 0.20 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2h5m h VAL 60 Cb 0.33 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2h5m h VAL 60 CO -0.00 0.43 0.14 0.58 0.02 0.00 0.00 177.57 178.74 2h5m h VAL 61 N 0.32 1.20 -0.22 2.57 2.07 -0.91 0.60 116.25 121.88 2h5m h VAL 61 Ca 0.04 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2h5m h VAL 61 Cb 0.77 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2h5m h VAL 61 CO 0.06 0.26 0.09 -0.08 0.02 0.00 0.00 177.57 177.92 2h5m h GLU 62 N 0.70 0.32 -0.25 1.57 4.57 -0.50 -0.66 114.58 120.33 2h5m h GLU 62 Ca 0.16 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2h5m h GLU 62 Cb 0.22 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2h5m h GLU 62 CO -0.01 0.36 -0.10 1.25 -1.18 0.00 0.00 179.01 179.33 2h5m h HIS 63 N 0.21 0.42 -0.46 0.92 2.76 -0.93 -0.90 115.15 117.17 2h5m h HIS 63 Ca 0.07 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2h5m h HIS 63 Cb 0.15 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2h5m h HIS 63 CO -0.02 0.50 0.04 0.00 -1.30 0.00 0.00 177.93 177.15 2h5m h ALA 64 N 1.52 1.21 -0.00 5.26 0.00 -0.34 -2.14 119.26 124.77 2h5m h ALA 64 Ca 0.08 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2h5m h ALA 64 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2h5m h ALA 64 CO 0.02 0.52 -0.84 0.00 0.00 0.00 0.00 179.25 178.96 2h5m h ARG 65 N 0.69 0.18 -0.23 0.00 3.08 -0.32 0.33 114.38 118.11 2h5m h ARG 65 Ca 0.14 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2h5m h ARG 65 Cb 0.37 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2h5m h ARG 65 CO 0.01 0.92 0.09 0.93 -1.07 0.00 0.00 179.97 180.85 2h5m h GLU 66 N 0.11 0.35 -0.17 0.04 5.08 -0.71 -3.17 114.58 116.11 2h5m h GLU 66 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2h5m h GLU 66 Cb 1.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2h5m h GLU 66 CO 0.13 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.64 2h5m n ASN 67 N -4.79 2.91 -3.34 1.42 5.03 -0.85 -4.98 115.26 110.66 2h5m n ASN 67 Ca -0.03 -1.87 -0.18 0.00 0.87 0.00 0.00 54.58 53.36 2h5m n ASN 67 Cb 0.14 -0.10 0.08 0.00 -1.02 0.00 0.00 39.78 38.87 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 1.17 -3.54 -4.91 6.41 3.02 0.39 -5.00 115.26 112.79 2h5m n ASN 68 Ca 0.14 -0.56 -0.27 0.00 -0.03 0.00 0.00 54.58 53.86 2h5m n ASN 68 Cb 0.51 -4.84 -0.01 0.00 -0.61 0.00 0.00 39.78 34.84 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 -6.43 3.76 -0.07 3.41 1.43 0.88 -5.00 118.68 116.67 2h5m s LEU 69 Ca 0.20 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.95 2h5m s LEU 69 Cb -0.09 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 2h5m s LEU 69 CO 0.69 -0.48 0.42 -0.54 0.23 0.00 0.00 176.35 176.67 2h5m s LYS 70 N -4.53 4.14 -0.23 1.70 1.02 0.59 -4.77 119.74 117.65 2h5m s LYS 70 Ca 0.45 0.38 -0.09 0.00 0.02 0.00 0.00 55.97 56.73 2h5m s LYS 70 Cb -0.10 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2h5m s LYS 70 CO 0.41 0.41 0.12 0.42 -0.92 0.00 0.00 175.35 175.80 2h5m s ILE 71 N -0.17 5.03 0.04 2.17 -1.09 0.35 -0.79 121.20 126.74 2h5m s ILE 71 Ca 0.23 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2h5m s ILE 71 Cb -0.15 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2h5m s ILE 71 CO 0.11 0.36 -0.08 0.27 -1.23 0.00 0.00 174.94 174.37 2h5m s ILE 72 N 1.04 0.54 -0.02 2.92 -0.00 -0.76 -1.52 121.20 123.41 2h5m s ILE 72 Ca 0.06 -1.04 0.05 0.00 -0.00 0.00 0.00 60.65 59.72 2h5m s ILE 72 Cb -0.14 -0.60 -0.01 0.00 -0.00 0.00 0.00 42.46 41.71 2h5m s ILE 72 CO 0.04 -0.35 -0.16 0.00 -0.00 0.00 0.00 174.94 174.47 2h5m s ALA 73 N -1.31 1.33 -0.13 2.27 0.00 -1.26 -0.36 121.76 122.31 2h5m s ALA 73 Ca -0.09 -0.66 0.15 0.00 0.00 0.00 0.00 51.96 51.36 2h5m s ALA 73 Cb -0.10 -0.37 -0.24 0.00 0.00 0.00 0.00 23.12 22.41 2h5m s ALA 73 CO 0.00 0.30 0.35 0.43 0.00 0.00 0.00 175.76 176.84 2h5m n SER 74 N 2.83 0.42 -4.83 0.00 7.64 -0.93 -4.78 113.62 113.97 2h5m n SER 74 Ca -0.15 0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 2h5m n SER 74 Cb 0.54 0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 64.17 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 1.62 -0.35 -0.19 0.00 4.64 -1.96 -2.28 113.55 115.03 2h5m h SER 76 Ca -0.48 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 60.72 2h5m h SER 76 Cb 1.18 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2h5m h SER 76 CO 0.62 -0.02 -0.03 0.15 -0.87 0.00 0.00 176.83 176.67 2h5m h PHE 77 N -0.70 -0.07 -0.27 4.77 3.57 -1.94 0.29 116.94 122.60 2h5m h PHE 77 Ca -0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2h5m h PHE 77 Cb 0.48 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 2h5m h PHE 77 CO 0.01 -0.06 -0.02 0.00 -2.23 0.00 0.00 178.31 176.01 2h5m h ALA 78 N 1.18 0.22 -0.40 2.41 0.00 -1.92 0.02 119.26 120.76 2h5m h ALA 78 Ca 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2h5m h ALA 78 Cb 0.13 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2h5m h ALA 78 CO -0.18 -0.43 0.14 -0.22 0.00 0.00 0.00 179.25 178.56 2h5m h LYS 79 N 0.05 0.62 -0.78 0.00 3.64 -1.04 -2.56 116.57 116.50 2h5m h LYS 79 Ca 0.13 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2h5m h LYS 79 Cb 0.18 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2h5m h LYS 79 CO -0.23 0.60 0.51 1.25 -2.27 0.00 0.00 179.45 179.31 2h5m h HIS 80 N 0.51 0.91 -0.48 1.91 2.76 0.11 -0.58 115.15 120.29 2h5m h HIS 80 Ca 0.13 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2h5m h HIS 80 Cb 0.22 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2h5m h HIS 80 CO 0.01 0.53 0.04 1.98 -1.30 0.00 0.00 177.93 179.19 2h5m h MET 81 N 0.94 0.82 -0.02 5.26 1.85 -0.75 -2.44 114.93 120.60 2h5m h MET 81 Ca 0.31 -0.24 -0.06 0.00 -0.61 0.00 0.00 59.70 59.10 2h5m h MET 81 Cb 0.06 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 2h5m h MET 81 CO -0.09 0.85 -0.29 -0.07 -0.40 0.00 0.00 176.91 176.90 2h5m h LEU 82 N 0.69 0.03 -0.78 3.39 3.38 -0.92 0.70 115.31 121.80 2h5m h LEU 82 Ca 0.14 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2h5m h LEU 82 Cb 0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2h5m h LEU 82 CO 0.02 0.32 -0.53 -0.33 0.09 0.00 0.00 178.44 178.01 2h5m h GLU 83 N 0.03 0.21 0.03 1.13 5.08 -0.82 -3.31 114.58 116.93 2h5m h GLU 83 Ca 0.00 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2h5m h GLU 83 Cb 0.54 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2h5m h GLU 83 CO 0.04 0.69 -0.77 0.87 -1.00 0.00 0.00 179.01 178.84 2h5m h LYS 84 N 0.16 0.06 -6.39 2.33 1.57 -0.94 -3.44 116.57 109.93 2h5m h LYS 84 Ca 0.00 -0.11 -0.55 0.00 -1.87 0.00 0.00 60.65 58.13 2h5m h LYS 84 Cb 0.99 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 2h5m h LYS 84 CO 0.08 1.05 1.12 -2.00 -0.57 0.00 0.00 179.45 179.13 2h5m s GLU 85 N -2.33 3.30 0.31 3.15 2.56 0.18 -4.87 118.70 121.00 2h5m s GLU 85 Ca -0.22 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.31 2h5m s GLU 85 Cb 0.02 -4.13 0.49 0.00 2.00 0.00 0.00 34.13 32.51 2h5m s GLU 85 CO 0.68 -1.93 1.90 0.22 -0.56 0.00 0.00 175.26 175.57 2h5m h ASP 86 N 11.31 0.75 0.15 -1.70 3.58 -1.85 -1.98 116.42 126.68 2h5m h ASP 86 Ca -0.27 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 2h5m h ASP 86 Cb 1.10 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2h5m h ASP 86 CO 1.16 0.66 -0.09 0.28 -2.88 0.00 0.00 179.24 178.37 2h5m h SER 87 N 0.82 0.00 1.51 2.28 0.02 -1.93 -1.25 113.55 115.00 2h5m h SER 87 Ca 0.20 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2h5m h SER 87 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2h5m h SER 87 CO -0.02 0.09 -0.50 1.88 -1.14 0.00 0.00 176.83 177.14 2h5m h TYR 88 N 0.00 0.00 0.00 3.45 -1.99 -1.67 -3.14 116.97 113.62 2h5m h TYR 88 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2h5m h TYR 88 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 2h5m h TYR 88 CO 0.00 0.41 0.00 1.04 -0.00 0.00 0.00 178.16 179.61 2h5m n GLN 89 N -3.17 0.01 -0.02 4.88 6.02 -0.47 -0.59 117.38 124.04 2h5m n GLN 89 Ca 0.01 0.31 -0.02 0.00 -0.01 0.00 0.00 57.00 57.30 2h5m n GLN 89 Cb 0.70 -1.51 0.24 0.00 1.02 0.00 0.00 30.24 30.69 2h5m n GLN 89 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2h5m h ASP 90 N 0.00 0.54 0.00 1.08 3.32 -1.59 -3.28 116.42 116.49 2h5m h ASP 90 Ca 0.00 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 2h5m h ASP 90 Cb 0.20 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2h5m h ASP 90 CO 0.00 0.66 -1.61 1.33 -1.72 0.00 0.00 179.24 177.91 2h5m n VAL 91 N -4.22 0.53 -2.61 -1.35 0.24 -0.88 -4.98 118.33 105.05 2h5m n VAL 91 Ca 0.01 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 2h5m n VAL 91 Cb 0.30 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.31 3.67 -1.28 6.34 5.04 0.25 -0.50 117.35 128.56 2h5m s TYR 92 Ca -0.04 1.66 -0.18 0.00 -2.44 0.00 0.00 57.07 56.06 2h5m s TYR 92 Cb 0.03 -3.18 0.07 0.00 0.35 0.00 0.00 41.96 39.23 2h5m s TYR 92 CO 0.39 -0.28 1.73 -0.51 -1.34 0.00 0.00 175.55 175.53 2h5m s LEU 93 N 0.10 3.81 0.00 6.97 1.43 -0.58 -4.60 118.68 125.81 2h5m s LEU 93 Ca 0.50 -2.38 0.23 0.00 -1.03 0.00 0.00 54.13 51.45 2h5m s LEU 93 Cb -0.26 -2.58 0.51 0.00 0.03 0.00 0.00 46.19 43.89 2h5m s LEU 93 CO 0.31 -1.23 1.44 0.61 0.23 0.00 0.00 176.35 177.72 2h5m n GLY 94 N 5.49 1.18 0.27 -3.19 0.00 -1.26 -4.23 105.19 103.45 2h5m n GLY 94 Ca 0.48 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 2h5m n GLY 94 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2h5m h LEU 95 N 3.79 0.49 -8.04 0.99 -0.00 -1.94 -3.35 115.31 107.25 2h5m h LEU 95 Ca 0.00 -0.10 -0.70 0.00 -0.00 0.00 0.00 57.88 57.09 2h5m h LEU 95 Cb 0.83 -0.13 -0.19 0.00 -0.00 0.00 0.00 40.66 41.18 2h5m h LEU 95 CO 0.00 0.57 0.55 -1.61 -0.00 0.00 0.00 178.44 177.96 2h5m s GLU 96 N -4.94 3.41 -0.29 0.17 0.41 -1.26 -4.80 118.70 111.40 2h5m s GLU 96 Ca -0.08 -1.62 0.17 0.00 -0.41 0.00 0.00 54.97 53.04 2h5m s GLU 96 Cb 0.15 -4.62 0.48 0.00 -1.78 0.00 0.00 34.13 28.37 2h5m s GLU 96 CO 0.77 -1.67 1.10 -2.39 -0.49 0.00 0.00 175.26 172.57 2h5m n HIS 97 N 6.36 1.74 -2.19 1.61 1.44 -1.26 -5.08 115.22 117.85 2h5m n HIS 97 Ca 0.12 -2.36 -0.42 0.00 -2.01 0.00 0.00 57.72 53.04 2h5m n HIS 97 Cb 0.47 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.28 2h5m n HIS 97 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2h5m s HIS 98 N -3.61 3.11 -0.46 -1.40 5.04 -1.26 -3.91 115.29 112.80 2h5m s HIS 98 Ca 0.34 0.91 -0.09 0.00 -1.54 0.00 0.00 55.06 54.68 2h5m s HIS 98 Cb 0.37 -3.68 0.01 0.00 0.04 0.00 0.00 32.58 29.33 2h5m s HIS 98 CO -0.02 -2.41 0.54 1.58 -2.34 0.00 0.00 174.74 172.10 2h5m n HIS 99 N 4.40 -2.83 -3.94 3.88 -0.00 -1.26 -5.01 115.22 110.46 2h5m n HIS 99 Ca 0.12 1.12 -0.31 0.00 -0.00 0.00 0.00 57.72 58.64 2h5m n HIS 99 Cb 0.43 -3.72 -0.14 0.00 -0.00 0.00 0.00 29.99 26.56 2h5m n HIS 99 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2h5m s HIS 100 N -2.61 3.42 -0.37 1.57 2.46 -1.25 -5.03 115.29 113.49 2h5m s HIS 100 Ca 0.13 -3.04 0.00 0.00 0.47 0.00 0.00 55.06 52.63 2h5m s HIS 100 Cb -0.04 -2.92 0.12 0.00 -0.13 0.00 0.00 32.58 29.62 2h5m s HIS 100 CO 0.65 -0.83 0.18 -1.58 -2.47 0.00 0.00 174.74 170.69 2h5m s HIS 101 N 0.21 1.45 0.00 3.88 2.46 -1.26 -5.22 115.29 116.80 2h5m s HIS 101 Ca 0.14 -1.90 0.00 0.00 0.47 0.00 0.00 55.06 53.77 2h5m s HIS 101 Cb -0.23 -1.51 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2h5m s HIS 101 CO -0.03 -0.82 0.00 1.58 -2.47 0.00 0.00 174.74 172.99