#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 3.92 -3.80 6.12 7.64 -1.26 -4.95 113.62 121.29 2h5m n SER 2 Ca 0.00 0.96 -0.08 0.00 1.01 0.00 0.00 58.87 60.76 2h5m n SER 2 Cb 0.00 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 61.68 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 3.56 -0.14 -0.47 6.43 3.84 -1.26 -5.05 114.94 121.86 2h5m s ASN 3 Ca 0.87 -0.80 -0.05 0.00 0.21 0.00 0.00 52.86 53.09 2h5m s ASN 3 Cb -0.52 0.69 -0.03 0.00 -0.55 0.00 0.00 41.25 40.84 2h5m s ASN 3 CO 0.42 -1.31 2.99 0.18 -2.79 0.00 0.00 177.10 176.59 2h5m n LEU 4 N -0.44 6.38 -4.87 3.21 4.77 -1.26 -4.54 117.00 120.25 2h5m n LEU 4 Ca -0.03 -3.91 -0.32 0.00 -0.03 0.00 0.00 56.01 51.72 2h5m n LEU 4 Cb 0.60 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 2h5m n LEU 4 CO 0.19 1.77 0.21 -1.61 -1.33 0.00 0.00 177.39 176.63 2h5m s GLU 5 N -0.70 3.80 -0.60 3.23 0.41 -1.26 -4.97 118.70 118.62 2h5m s GLU 5 Ca 0.61 0.28 -0.28 0.00 -0.41 0.00 0.00 54.97 55.17 2h5m s GLU 5 Cb 0.34 -2.66 0.02 0.00 -1.78 0.00 0.00 34.13 30.04 2h5m s GLU 5 CO -0.14 0.32 1.40 0.42 -0.49 0.00 0.00 175.26 176.77 2h5m s ILE 6 N -1.80 3.77 -0.29 -1.63 1.01 -1.26 -4.44 121.20 116.55 2h5m s ILE 6 Ca 0.47 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.52 2h5m s ILE 6 Cb -0.11 -4.52 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2h5m s ILE 6 CO 0.21 -1.29 0.72 -0.54 0.00 0.00 0.00 174.94 174.04 2h5m s LYS 7 N 5.58 3.99 -0.18 2.79 1.02 0.07 -4.91 119.74 128.09 2h5m s LYS 7 Ca 0.49 0.53 -0.21 0.00 0.02 0.00 0.00 55.97 56.80 2h5m s LYS 7 Cb -0.10 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2h5m s LYS 7 CO 0.23 -0.59 0.65 -1.14 -0.92 0.00 0.00 175.35 173.58 2h5m s GLN 8 N 2.77 4.24 0.17 1.68 0.74 -1.26 -1.06 119.66 126.93 2h5m s GLN 8 Ca 0.29 0.67 0.01 0.00 0.05 0.00 0.00 55.36 56.38 2h5m s GLN 8 Cb -0.15 -3.56 0.01 0.00 1.10 0.00 0.00 33.01 30.41 2h5m s GLN 8 CO 0.11 -0.22 0.10 0.41 -0.55 0.00 0.00 175.29 175.14 2h5m n GLY 9 N 3.70 3.22 3.56 2.59 0.00 0.11 -5.00 105.19 113.36 2h5m n GLY 9 Ca -0.01 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.68 2.61 -1.19 1.61 0.41 -1.26 -2.77 118.70 115.43 2h5m s GLU 10 Ca 0.07 0.83 -0.07 0.00 -0.41 0.00 0.00 54.97 55.40 2h5m s GLU 10 Cb -0.01 -4.40 0.01 0.00 -1.78 0.00 0.00 34.13 27.95 2h5m s GLU 10 CO 0.05 -2.74 0.88 0.09 -0.49 0.00 0.00 175.26 173.04 2h5m n ASN 11 N 13.05 -5.64 -3.51 -0.19 3.02 -1.26 -4.99 115.26 115.73 2h5m n ASN 11 Ca 0.23 -0.40 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 2h5m n ASN 11 Cb 0.52 -4.31 -0.04 0.00 -0.61 0.00 0.00 39.78 35.34 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 -5.96 0.97 -0.09 3.52 -2.85 -1.12 -1.80 119.74 112.42 2h5m s LYS 12 Ca 0.43 -0.02 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 2h5m s LYS 12 Cb -0.19 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.04 2h5m s LYS 12 CO 0.54 -0.35 -0.15 -0.06 0.10 0.00 0.00 175.35 175.43 2h5m s PHE 13 N -2.06 1.78 0.03 1.78 0.08 0.08 0.04 117.98 119.70 2h5m s PHE 13 Ca -0.04 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.29 2h5m s PHE 13 Cb -0.00 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 2h5m s PHE 13 CO -0.00 -0.37 -0.07 1.52 -0.10 0.00 0.00 175.22 176.20 2h5m s TYR 14 N 0.77 0.57 -0.14 0.36 1.13 -0.23 -0.50 117.35 119.32 2h5m s TYR 14 Ca -0.12 -0.41 0.02 0.00 -1.41 0.00 0.00 57.07 55.15 2h5m s TYR 14 Cb -0.16 -0.35 0.01 0.00 -1.10 0.00 0.00 41.96 40.37 2h5m s TYR 14 CO 0.02 -0.08 -0.19 0.42 -2.51 0.00 0.00 175.55 173.22 2h5m s ILE 15 N -1.12 1.82 0.00 -3.49 1.01 0.33 -0.75 121.20 119.00 2h5m s ILE 15 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2h5m s ILE 15 Cb -0.08 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2h5m s ILE 15 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2h5m n GLY 16 N 4.25 1.37 0.16 6.18 0.00 -1.26 -1.26 105.19 114.62 2h5m n GLY 16 Ca -0.19 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 44.95 2h5m n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2h5m h ASP 17 N 0.00 0.00 -5.27 1.61 2.03 -1.82 -3.45 116.42 109.52 2h5m h ASP 17 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2h5m h ASP 17 Cb 0.00 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 38.35 2h5m h ASP 17 CO 0.00 0.52 -0.63 -0.62 -1.03 0.00 0.00 179.24 177.47 2h5m s ASP 18 N -6.67 0.40 0.23 4.15 2.15 -1.26 -4.96 116.67 110.72 2h5m s ASP 18 Ca -0.01 -1.00 -0.04 0.00 0.43 0.00 0.00 52.55 51.94 2h5m s ASP 18 Cb 0.12 0.24 0.25 0.00 -0.30 0.00 0.00 42.92 43.23 2h5m s ASP 18 CO 0.73 -0.65 1.70 -0.33 -0.17 0.00 0.00 175.17 176.46 2h5m h GLU 19 N 3.04 0.83 0.00 4.34 5.08 -2.00 -2.60 114.58 123.27 2h5m h GLU 19 Ca -0.34 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 57.62 2h5m h GLU 19 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2h5m h GLU 19 CO 0.63 0.87 -0.66 -0.97 -1.00 0.00 0.00 179.01 177.88 2h5m h ASN 20 N 0.76 0.00 -1.42 1.42 -0.73 -2.00 -3.17 115.58 110.45 2h5m h ASN 20 Ca 0.14 0.00 -0.70 0.00 1.87 0.00 0.00 56.30 57.60 2h5m h ASN 20 Cb 0.55 0.00 -0.30 0.00 0.27 0.00 0.00 38.32 38.84 2h5m h ASN 20 CO 0.03 0.66 0.73 -3.20 -0.37 0.00 0.00 177.43 175.29 2h5m n ASN 21 N -3.68 7.25 -4.58 1.15 5.15 -1.00 -4.96 115.26 114.59 2h5m n ASN 21 Ca -0.01 -3.80 -0.41 0.00 -0.60 0.00 0.00 54.58 49.76 2h5m n ASN 21 Cb 0.67 -0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 38.95 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2h5m s ALA 22 N -3.90 2.67 0.25 5.20 0.00 -1.06 -4.16 121.76 120.77 2h5m s ALA 22 Ca 0.58 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 2h5m s ALA 22 Cb 0.47 -4.11 0.27 0.00 0.00 0.00 0.00 23.12 19.75 2h5m s ALA 22 CO -0.18 -3.05 1.93 -0.07 0.00 0.00 0.00 175.76 174.38 2h5m h LEU 23 N 14.13 1.15 -7.46 0.00 3.38 -1.49 -3.44 115.31 121.59 2h5m h LEU 23 Ca -0.29 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2h5m h LEU 23 Cb 1.14 -0.28 -0.23 0.00 0.09 0.00 0.00 40.66 41.38 2h5m h LEU 23 CO 1.13 0.83 -0.32 0.00 0.09 0.00 0.00 178.44 180.17 2h5m s ALA 24 N -6.11 -0.78 -0.02 1.53 0.00 -1.07 -0.04 121.76 115.26 2h5m s ALA 24 Ca -0.13 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 2h5m s ALA 24 Cb 0.18 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.06 2h5m s ALA 24 CO 0.82 -0.20 0.37 -1.83 0.00 0.00 0.00 175.76 174.92 2h5m s GLU 25 N -0.47 0.73 -0.02 0.00 -1.05 -0.18 -0.51 118.70 117.20 2h5m s GLU 25 Ca -0.06 -0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.66 2h5m s GLU 25 Cb -0.04 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2h5m s GLU 25 CO 0.02 -0.21 -0.03 -1.50 0.95 0.00 0.00 175.26 174.49 2h5m s ILE 26 N -1.30 0.35 -0.05 1.83 2.07 0.34 -1.47 121.20 122.98 2h5m s ILE 26 Ca -0.13 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.04 2h5m s ILE 26 Cb -0.04 -0.35 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 2h5m s ILE 26 CO 0.05 0.14 -0.15 0.42 -1.91 0.00 0.00 174.94 173.49 2h5m s THR 27 N 0.39 2.97 0.11 4.00 -4.23 -0.62 -0.74 115.64 117.51 2h5m s THR 27 Ca -0.04 -0.76 -0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2h5m s THR 27 Cb -0.08 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 2h5m s THR 27 CO -0.00 0.59 0.01 -0.72 -0.54 0.00 0.00 174.62 173.95 2h5m s TYR 28 N -0.67 0.83 -0.16 3.99 1.13 -0.74 -0.47 117.35 121.25 2h5m s TYR 28 Ca 0.10 -1.11 -0.28 0.00 -1.41 0.00 0.00 57.07 54.37 2h5m s TYR 28 Cb -0.11 -0.50 0.08 0.00 -1.10 0.00 0.00 41.96 40.33 2h5m s TYR 28 CO 0.01 -0.38 0.75 -0.98 -2.51 0.00 0.00 175.55 172.44 2h5m s ARG 29 N -3.96 0.90 -0.65 -3.49 1.70 -0.54 -4.59 118.95 108.31 2h5m s ARG 29 Ca 0.17 0.56 -0.27 0.00 -0.47 0.00 0.00 55.73 55.72 2h5m s ARG 29 Cb 0.07 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 2h5m s ARG 29 CO -0.02 -0.21 1.22 -0.06 -1.08 0.00 0.00 175.30 175.15 2h5m s PHE 30 N -0.48 2.47 -0.54 5.89 0.40 -1.26 -0.46 117.98 124.01 2h5m s PHE 30 Ca -0.05 0.19 0.23 0.00 -0.60 0.00 0.00 56.93 56.70 2h5m s PHE 30 Cb -0.02 -4.55 0.17 0.00 0.51 0.00 0.00 43.02 39.13 2h5m s PHE 30 CO 0.05 -1.79 1.16 1.33 0.70 0.00 0.00 175.22 176.66 2h5m n VAL 31 N 6.52 0.35 -3.39 -0.44 0.24 -0.49 -4.96 118.33 116.16 2h5m n VAL 31 Ca 0.06 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2h5m n VAL 31 Cb 0.49 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.19 0.26 -0.15 -1.34 -0.08 -1.19 -4.99 116.55 106.87 2h5m n ASP 32 Ca 0.02 -0.39 -0.10 0.00 -1.51 0.00 0.00 54.79 52.81 2h5m n ASP 32 Cb 0.46 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 2h5m n ASP 32 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2h5m h ASN 33 N 0.00 0.70 0.00 1.67 7.08 -2.03 -3.35 115.58 119.65 2h5m h ASN 33 Ca 0.00 -0.26 -0.08 0.00 -3.08 0.00 0.00 56.30 52.88 2h5m h ASN 33 Cb 0.00 -0.18 -0.17 0.00 -2.08 0.00 0.00 38.32 35.89 2h5m h ASN 33 CO 0.00 0.78 -0.72 0.59 -2.08 0.00 0.00 177.43 176.01 2h5m n ASN 34 N -4.48 0.55 -4.47 6.14 5.03 -1.26 -5.06 115.26 111.72 2h5m n ASN 34 Ca 0.00 -2.08 -0.35 0.00 0.87 0.00 0.00 54.58 53.01 2h5m n ASN 34 Cb 0.25 -0.26 -0.12 0.00 -1.02 0.00 0.00 39.78 38.62 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2h5m s GLU 35 N -0.18 3.66 -0.20 3.52 2.02 -1.26 -0.33 118.70 125.93 2h5m s GLU 35 Ca 0.17 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 2h5m s GLU 35 Cb 0.19 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 2h5m s GLU 35 CO -0.07 -0.01 -0.02 0.96 0.02 0.00 0.00 175.26 176.14 2h5m s ILE 36 N 1.07 3.70 -0.19 -1.63 -4.36 0.29 -1.39 121.20 118.69 2h5m s ILE 36 Ca 0.03 -0.39 -0.08 0.00 -0.26 0.00 0.00 60.65 59.94 2h5m s ILE 36 Cb -0.14 -2.67 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 2h5m s ILE 36 CO 0.02 0.43 0.08 0.21 0.24 0.00 0.00 174.94 175.92 2h5m s ASN 37 N 1.15 5.77 -0.35 4.36 3.84 0.39 -1.38 114.94 128.72 2h5m s ASN 37 Ca 0.02 0.12 -0.25 0.00 0.21 0.00 0.00 52.86 52.96 2h5m s ASN 37 Cb -0.14 -1.99 0.01 0.00 -0.55 0.00 0.00 41.25 38.57 2h5m s ASN 37 CO 0.00 0.18 0.90 -0.63 -2.79 0.00 0.00 177.10 174.76 2h5m s ILE 38 N 0.36 4.63 -0.01 -5.21 1.01 0.05 -1.47 121.20 120.56 2h5m s ILE 38 Ca 0.04 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 2h5m s ILE 38 Cb -0.12 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 2h5m s ILE 38 CO -0.00 -0.47 0.39 -0.78 0.00 0.00 0.00 174.94 174.08 2h5m h ASP 39 N 8.36 -0.07 -5.18 3.58 3.58 -1.12 -2.99 116.42 122.59 2h5m h ASP 39 Ca -0.23 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.12 2h5m h ASP 39 Cb 1.08 0.02 -0.15 0.00 1.72 0.00 0.00 39.33 42.00 2h5m h ASP 39 CO 0.96 0.00 -0.49 -1.38 -2.88 0.00 0.00 179.24 175.45 2h5m s HIS 40 N -1.95 0.29 -0.13 0.28 -3.43 -1.25 -4.12 115.29 104.98 2h5m s HIS 40 Ca -0.01 -0.75 -0.04 0.00 -0.80 0.00 0.00 55.06 53.46 2h5m s HIS 40 Cb 0.00 -0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.02 2h5m s HIS 40 CO 0.03 -0.47 0.07 0.99 -2.00 0.00 0.00 174.74 173.37 2h5m s THR 41 N -3.78 -0.05 -0.13 -5.38 2.01 -1.26 -1.60 115.64 105.46 2h5m s THR 41 Ca 0.05 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2h5m s THR 41 Cb 0.05 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.11 2h5m s THR 41 CO -0.10 -0.11 -0.21 -0.83 -0.69 0.00 0.00 174.62 172.68 2h5m s GLY 42 N 2.13 1.38 -0.06 4.40 0.00 -0.54 -4.98 107.32 109.64 2h5m s GLY 42 Ca 0.03 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2h5m s GLY 42 CO -0.07 -0.14 -0.11 0.14 0.00 0.00 0.00 173.10 172.92 2h5m s VAL 43 N 0.60 1.03 0.20 1.40 1.01 -1.26 -1.02 120.40 122.36 2h5m s VAL 43 Ca -0.12 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 2h5m s VAL 43 Cb -0.16 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 2h5m s VAL 43 CO 0.03 0.33 1.08 -0.55 0.00 0.00 0.00 175.10 175.99 2h5m s SER 44 N 0.67 7.32 0.00 3.32 0.15 0.94 -4.93 113.70 121.16 2h5m s SER 44 Ca -0.14 2.09 0.23 0.00 0.70 0.00 0.00 55.95 58.83 2h5m s SER 44 Cb -0.15 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2h5m s SER 44 CO 0.03 -0.16 1.12 -0.90 1.20 0.00 0.00 173.24 174.53 2h5m n ASP 45 N 2.10 2.26 0.23 5.45 5.75 -1.26 -4.24 116.55 126.85 2h5m n ASP 45 Ca 0.02 -1.63 0.10 0.00 -0.01 0.00 0.00 54.79 53.27 2h5m n ASP 45 Cb 0.46 0.36 0.56 0.00 -1.03 0.00 0.00 41.12 41.47 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 2.97 0.00 0.00 0.11 5.08 -1.99 -1.48 114.58 119.27 2h5m h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2h5m h GLU 46 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2h5m h GLU 46 CO 0.00 0.20 -0.37 1.28 -1.00 0.00 0.00 179.01 179.12 2h5m n LEU 47 N -3.52 0.42 0.00 1.33 7.99 -1.26 -5.02 117.00 116.94 2h5m n LEU 47 Ca -0.01 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2h5m n LEU 47 Cb 0.36 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2h5m n LEU 47 CO 0.32 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 2h5m n GLY 48 N 1.46 1.35 2.32 -0.72 0.00 -0.56 -4.78 105.19 104.26 2h5m n GLY 48 Ca 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.12 3.67 -0.02 0.00 -1.26 -4.61 105.19 102.84 2h5m n GLY 49 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 0.06 0.73 0.00 1.61 1.11 -1.26 -4.87 119.66 117.03 2h5m s GLN 50 Ca 0.06 0.84 0.00 0.00 0.01 0.00 0.00 55.36 56.27 2h5m s GLN 50 Cb 0.15 -1.75 0.00 0.00 -1.01 0.00 0.00 33.01 30.40 2h5m s GLN 50 CO -0.04 -2.61 1.17 0.41 0.01 0.00 0.00 175.29 174.23 2h5m n GLY 51 N -0.68 2.00 0.32 3.09 0.00 -1.26 -4.23 105.19 104.44 2h5m n GLY 51 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.30 1.23 -0.11 1.61 2.07 -1.99 0.53 116.25 119.89 2h5m h VAL 52 Ca 0.00 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2h5m h VAL 52 Cb 0.94 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2h5m h VAL 52 CO 0.00 0.24 -0.42 1.23 0.02 0.00 0.00 177.57 178.64 2h5m h GLY 53 N 1.12 0.27 1.09 2.17 0.00 -1.96 -2.46 103.07 103.30 2h5m h GLY 53 Ca 0.29 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 2h5m h GLY 53 CO -0.06 0.23 -0.46 0.50 0.00 0.00 0.00 176.54 176.76 2h5m h LYS 54 N 0.20 0.84 -0.93 4.80 1.57 -1.68 -1.66 116.57 119.71 2h5m h LYS 54 Ca 0.02 -0.50 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2h5m h LYS 54 Cb 0.83 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 2h5m h LYS 54 CO 0.07 1.14 0.61 -0.22 -0.57 0.00 0.00 179.45 180.47 2h5m h LYS 55 N 0.61 1.14 -0.21 3.15 3.64 -0.75 0.17 116.57 124.33 2h5m h LYS 55 Ca 0.03 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2h5m h LYS 55 Cb 1.06 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2h5m h LYS 55 CO 0.11 0.76 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.73 2h5m h LEU 56 N 1.18 0.58 -0.52 5.20 3.38 -1.33 -1.80 115.31 122.00 2h5m h LEU 56 Ca 0.37 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2h5m h LEU 56 Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2h5m h LEU 56 CO -0.12 0.95 0.19 0.25 0.09 0.00 0.00 178.44 179.80 2h5m h LEU 57 N 0.21 0.73 -0.97 1.67 5.85 -0.91 -2.63 115.31 119.26 2h5m h LEU 57 Ca 0.03 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2h5m h LEU 57 Cb 0.80 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2h5m h LEU 57 CO 0.06 0.71 0.33 0.50 -0.34 0.00 0.00 178.44 179.71 2h5m h LYS 58 N 0.70 1.08 -0.83 1.25 3.64 -0.66 -1.07 116.57 120.67 2h5m h LYS 58 Ca 0.17 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2h5m h LYS 58 Cb 0.23 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2h5m h LYS 58 CO -0.01 0.85 0.55 0.00 -2.27 0.00 0.00 179.45 178.56 2h5m h ALA 59 N 1.30 1.47 0.05 5.00 0.00 -0.98 0.37 119.26 126.47 2h5m h ALA 59 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2h5m h ALA 59 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2h5m h ALA 59 CO -0.03 0.46 -0.03 0.28 0.00 0.00 0.00 179.25 179.94 2h5m h VAL 60 N 1.06 1.30 -0.87 0.00 2.07 -1.08 -2.97 116.25 115.75 2h5m h VAL 60 Ca 0.32 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2h5m h VAL 60 Cb -0.01 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2h5m h VAL 60 CO -0.09 0.34 0.57 0.58 0.02 0.00 0.00 177.57 178.99 2h5m h VAL 61 N -0.71 1.23 -0.10 2.57 2.07 -0.97 0.10 116.25 120.43 2h5m h VAL 61 Ca -0.01 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2h5m h VAL 61 Cb 0.61 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2h5m h VAL 61 CO 0.01 0.22 -0.02 -0.08 0.02 0.00 0.00 177.57 177.72 2h5m h GLU 62 N 1.19 0.01 -0.01 1.57 4.81 -0.34 0.22 114.58 122.02 2h5m h GLU 62 Ca 0.32 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2h5m h GLU 62 Cb -0.12 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2h5m h GLU 62 CO -0.07 0.00 -0.53 1.25 -0.73 0.00 0.00 179.01 178.93 2h5m h HIS 63 N 0.01 0.05 -0.20 0.92 2.76 -1.28 -2.76 115.15 114.64 2h5m h HIS 63 Ca 0.05 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2h5m h HIS 63 Cb 0.07 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2h5m h HIS 63 CO -0.15 0.56 0.09 0.00 -1.30 0.00 0.00 177.93 177.13 2h5m h ALA 64 N 1.43 0.25 -0.58 5.26 0.00 -0.12 -2.56 119.26 122.95 2h5m h ALA 64 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2h5m h ALA 64 Cb 0.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2h5m h ALA 64 CO 0.07 -0.18 0.28 -0.09 0.00 0.00 0.00 179.25 179.34 2h5m h ARG 65 N 0.18 0.81 -0.85 0.00 2.43 -0.86 0.33 114.38 116.42 2h5m h ARG 65 Ca 0.07 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2h5m h ARG 65 Cb 0.14 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2h5m h ARG 65 CO -0.01 0.62 0.50 0.93 -1.51 0.00 0.00 179.97 180.51 2h5m h GLU 66 N 0.81 1.17 -0.60 0.20 5.08 -1.19 -2.36 114.58 117.69 2h5m h GLU 66 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h5m h GLU 66 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2h5m h GLU 66 CO -0.03 0.83 0.00 0.09 -1.00 0.00 0.00 179.01 178.90 2h5m n ASN 67 N -4.41 3.76 -3.44 1.42 3.02 -0.98 -4.94 115.26 109.69 2h5m n ASN 67 Ca 0.09 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.39 2h5m n ASN 67 Cb 0.07 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2h5m n ASN 67 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h5m n ASN 68 N 1.60 -5.77 -4.85 6.41 4.13 0.12 -4.96 115.26 111.94 2h5m n ASN 68 Ca 0.23 -0.49 -0.32 0.00 1.68 0.00 0.00 54.58 55.68 2h5m n ASN 68 Cb 0.62 -4.60 -0.02 0.00 -1.54 0.00 0.00 39.78 34.24 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2h5m s LEU 69 N -7.02 3.48 -0.17 3.41 1.43 0.93 -4.99 118.68 115.75 2h5m s LEU 69 Ca 0.49 1.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.04 2h5m s LEU 69 Cb -0.23 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 2h5m s LEU 69 CO 0.61 -0.72 0.11 -0.54 0.23 0.00 0.00 176.35 176.04 2h5m s LYS 70 N -4.45 3.89 -0.14 1.70 3.01 0.55 -4.69 119.74 119.60 2h5m s LYS 70 Ca 0.58 -0.24 -0.04 0.00 -1.01 0.00 0.00 55.97 55.25 2h5m s LYS 70 Cb -0.11 -3.28 -0.03 0.00 -1.01 0.00 0.00 37.83 33.40 2h5m s LYS 70 CO 0.39 0.43 0.01 0.42 0.51 0.00 0.00 175.35 177.12 2h5m s ILE 71 N -0.05 4.38 -0.04 2.17 1.01 0.49 -0.55 121.20 128.61 2h5m s ILE 71 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2h5m s ILE 71 Cb -0.12 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.46 2h5m s ILE 71 CO 0.00 0.52 -0.04 0.27 0.00 0.00 0.00 174.94 175.70 2h5m s ILE 72 N -0.07 0.45 -0.10 2.92 -4.36 -0.48 -1.00 121.20 118.56 2h5m s ILE 72 Ca 0.04 -0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.36 2h5m s ILE 72 Cb -0.13 -0.49 0.02 0.00 1.25 0.00 0.00 42.46 43.11 2h5m s ILE 72 CO 0.02 0.20 -0.12 0.00 0.24 0.00 0.00 174.94 175.28 2h5m s ALA 73 N 0.87 1.49 -0.15 2.27 0.00 -1.26 -0.77 121.76 124.20 2h5m s ALA 73 Ca -0.11 -0.61 0.17 0.00 0.00 0.00 0.00 51.96 51.41 2h5m s ALA 73 Cb -0.14 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 2h5m s ALA 73 CO -0.00 -0.18 1.03 0.77 0.00 0.00 0.00 175.76 177.38 2h5m h SER 74 N 7.64 0.00 -2.65 0.00 0.02 -1.83 -3.43 113.55 113.30 2h5m h SER 74 Ca -0.32 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 2h5m h SER 74 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2h5m h SER 74 CO 0.46 0.46 1.14 0.00 -1.14 0.00 0.00 176.83 177.75 2h5m h SER 76 N 10.57 0.52 0.32 0.00 0.02 -1.93 0.90 113.55 123.94 2h5m h SER 76 Ca -0.36 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2h5m h SER 76 Cb 1.17 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2h5m h SER 76 CO 0.98 0.30 -0.15 0.15 -1.14 0.00 0.00 176.83 176.97 2h5m h PHE 77 N 0.57 -0.40 -0.47 3.45 3.57 -1.94 -0.20 116.94 121.53 2h5m h PHE 77 Ca 0.34 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 2h5m h PHE 77 Cb 0.57 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2h5m h PHE 77 CO -0.00 -0.14 0.12 0.00 -2.23 0.00 0.00 178.31 176.06 2h5m h ALA 78 N 0.02 0.61 -0.77 2.41 0.00 -1.83 -2.41 119.26 117.29 2h5m h ALA 78 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2h5m h ALA 78 Cb 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2h5m h ALA 78 CO 0.07 0.29 0.46 -0.22 0.00 0.00 0.00 179.25 179.85 2h5m h LYS 79 N 0.62 0.80 -0.68 0.00 3.64 -0.79 0.18 116.57 120.34 2h5m h LYS 79 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2h5m h LYS 79 Cb 0.31 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2h5m h LYS 79 CO 0.00 0.53 0.24 1.25 -2.27 0.00 0.00 179.45 179.20 2h5m h HIS 80 N 0.82 1.07 0.03 1.91 2.76 -0.75 -1.17 115.15 119.82 2h5m h HIS 80 Ca 0.35 -0.10 -0.21 0.00 -2.20 0.00 0.00 60.37 58.21 2h5m h HIS 80 Cb 0.20 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2h5m h HIS 80 CO -0.06 0.85 -0.97 1.98 -1.30 0.00 0.00 177.93 178.44 2h5m h MET 81 N 0.98 0.14 -0.29 5.26 4.05 -0.90 -1.24 114.93 122.93 2h5m h MET 81 Ca 0.22 -0.19 -0.16 0.00 -0.28 0.00 0.00 59.70 59.30 2h5m h MET 81 Cb 0.26 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2h5m h MET 81 CO -0.01 1.00 -0.45 -0.07 0.23 0.00 0.00 176.91 177.61 2h5m h LEU 82 N 0.06 0.80 0.00 3.39 3.38 -0.51 -2.89 115.31 119.55 2h5m h LEU 82 Ca -0.05 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2h5m h LEU 82 Cb 1.65 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2h5m h LEU 82 CO 0.14 1.13 -0.32 -0.33 0.09 0.00 0.00 178.44 179.15 2h5m h GLU 83 N 0.60 0.00 -0.95 1.13 5.08 -1.25 -3.34 114.58 115.84 2h5m h GLU 83 Ca 0.04 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 2h5m h GLU 83 Cb 1.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.15 2h5m h GLU 83 CO 0.10 0.00 0.55 -0.22 -1.00 0.00 0.00 179.01 178.43 2h5m h LYS 84 N 0.00 0.70 -5.76 2.33 3.64 -0.99 -3.40 116.57 113.09 2h5m h LYS 84 Ca 0.00 -0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.79 2h5m h LYS 84 Cb 0.77 -0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 32.15 2h5m h LYS 84 CO 0.00 0.46 -0.83 -1.83 -2.27 0.00 0.00 179.45 174.98 2h5m s GLU 85 N -5.90 1.40 0.00 1.90 -1.05 -1.25 -5.00 118.70 108.80 2h5m s GLU 85 Ca -0.12 -0.71 0.21 0.00 -0.15 0.00 0.00 54.97 54.20 2h5m s GLU 85 Cb 0.24 -1.39 1.12 0.00 -0.44 0.00 0.00 34.13 33.66 2h5m s GLU 85 CO 0.79 0.37 1.64 -0.25 0.95 0.00 0.00 175.26 178.77 2h5m n ASP 86 N 2.43 0.00 0.04 0.83 9.92 -1.26 -2.77 116.55 125.74 2h5m n ASP 86 Ca -0.15 -0.29 0.08 0.00 -0.53 0.00 0.00 54.79 53.90 2h5m n ASP 86 Cb 0.54 -0.16 0.34 0.00 -0.64 0.00 0.00 41.12 41.20 2h5m n ASP 86 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2h5m n SER 87 N -1.16 0.20 -0.32 -2.24 7.64 -1.26 -1.75 113.62 114.73 2h5m n SER 87 Ca 0.12 0.55 0.03 0.00 1.01 0.00 0.00 58.87 60.59 2h5m n SER 87 Cb 0.12 -0.59 0.09 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.73 0.24 0.20 1.43 4.01 -1.11 -4.64 117.16 115.55 2h5m n TYR 88 Ca 0.03 -0.56 0.07 0.00 -0.16 0.00 0.00 57.90 57.28 2h5m n TYR 88 Cb 0.17 -0.07 0.33 0.00 -0.31 0.00 0.00 39.34 39.46 2h5m n TYR 88 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2h5m h GLN 89 N 0.92 0.00 0.03 -0.72 5.75 -1.53 0.33 115.11 119.89 2h5m h GLN 89 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2h5m h GLN 89 Cb 0.69 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2h5m h GLN 89 CO 0.01 0.32 -1.09 0.38 -2.65 0.00 0.00 178.83 175.80 2h5m h ASP 90 N 0.00 0.10 0.07 -0.69 2.03 -1.82 -3.37 116.42 112.74 2h5m h ASP 90 Ca -0.00 -0.11 -0.37 0.00 -0.73 0.00 0.00 57.03 55.82 2h5m h ASP 90 Cb 0.92 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.35 2h5m h ASP 90 CO 0.04 1.09 -2.12 1.33 -1.03 0.00 0.00 179.24 178.54 2h5m n VAL 91 N -3.38 1.66 -3.47 4.15 0.24 -1.17 -4.91 118.33 111.46 2h5m n VAL 91 Ca -0.03 -0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 61.32 2h5m n VAL 91 Cb 0.96 -1.66 -0.06 0.00 -1.47 0.00 0.00 33.84 31.61 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 -2.53 3.72 -1.45 6.34 5.04 0.11 -0.38 117.35 128.20 2h5m s TYR 92 Ca -0.28 1.01 -0.12 0.00 -2.44 0.00 0.00 57.07 55.25 2h5m s TYR 92 Cb 0.08 -2.33 0.04 0.00 0.35 0.00 0.00 41.96 40.10 2h5m s TYR 92 CO 0.69 0.60 2.32 1.28 -1.34 0.00 0.00 175.55 179.11 2h5m n LEU 93 N 1.95 7.28 -3.41 6.97 4.32 -0.17 -4.46 117.00 129.48 2h5m n LEU 93 Ca -0.13 -4.32 -0.40 0.00 -0.02 0.00 0.00 56.01 51.15 2h5m n LEU 93 Cb 0.52 -1.59 -0.02 0.00 -1.62 0.00 0.00 43.42 40.71 2h5m n LEU 93 CO 0.38 1.40 3.02 0.61 -1.22 0.00 0.00 177.39 181.58 2h5m n GLY 94 N 3.64 4.56 3.26 -0.72 0.00 -1.26 -4.86 105.19 109.81 2h5m n GLY 94 Ca 0.56 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 2h5m n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h5m s LEU 95 N -0.35 5.87 0.16 0.99 2.96 -1.26 -5.06 118.68 121.99 2h5m s LEU 95 Ca 0.62 -1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 52.41 2h5m s LEU 95 Cb 0.17 -2.10 -0.08 0.00 0.50 0.00 0.00 46.19 44.69 2h5m s LEU 95 CO -0.07 -0.75 1.25 -0.70 -1.32 0.00 0.00 176.35 174.76 2h5m s GLU 96 N 1.47 4.43 -1.20 1.98 2.12 -1.26 -4.93 118.70 121.31 2h5m s GLU 96 Ca 0.04 1.92 -0.20 0.00 0.36 0.00 0.00 54.97 57.10 2h5m s GLU 96 Cb -0.28 -3.25 0.04 0.00 0.26 0.00 0.00 34.13 30.91 2h5m s GLU 96 CO 0.01 -0.20 1.70 -3.38 -0.54 0.00 0.00 175.26 172.85 2h5m s HIS 97 N 0.34 2.58 -1.13 5.30 0.00 -1.26 -4.68 115.29 116.44 2h5m s HIS 97 Ca 0.56 -1.10 0.18 0.00 -3.00 0.00 0.00 55.06 51.71 2h5m s HIS 97 Cb -0.33 -4.63 0.72 0.00 -4.00 0.00 0.00 32.58 24.33 2h5m s HIS 97 CO 0.35 -1.77 1.63 1.58 -1.00 0.00 0.00 174.74 175.52 2h5m n HIS 98 N 9.43 1.46 -1.81 0.38 -0.00 -1.26 -4.75 115.22 118.67 2h5m n HIS 98 Ca 0.44 -0.61 -0.42 0.00 0.46 0.00 0.00 57.72 57.59 2h5m n HIS 98 Cb 0.47 -0.24 -0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2h5m n HIS 98 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2h5m n HIS 99 N 1.11 3.36 -3.97 1.57 -0.00 -1.26 -4.86 115.22 111.18 2h5m n HIS 99 Ca 0.26 -2.95 -0.15 0.00 0.46 0.00 0.00 57.72 55.34 2h5m n HIS 99 Cb 0.88 -2.45 -0.15 0.00 -0.12 0.00 0.00 29.99 28.16 2h5m n HIS 99 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2h5m s HIS 100 N 2.62 0.23 -0.18 1.57 3.76 -1.26 -5.14 115.29 116.90 2h5m s HIS 100 Ca 0.47 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.37 2h5m s HIS 100 Cb 0.14 -0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.63 2h5m s HIS 100 CO -0.07 -0.05 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.03 2h5m s HIS 101 N 0.34 2.63 0.00 1.40 2.46 -1.26 -5.28 115.29 115.58 2h5m s HIS 101 Ca -0.03 -1.61 0.00 0.00 0.47 0.00 0.00 55.06 53.89 2h5m s HIS 101 Cb -0.06 -1.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 2h5m s HIS 101 CO -0.01 -0.77 0.21 -2.39 -2.47 0.00 0.00 174.74 169.31