#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 8.03 -4.51 7.83 7.64 -1.26 -4.63 113.62 126.71 2h5m n SER 2 Ca 0.00 -2.88 -0.28 0.00 1.01 0.00 0.00 58.87 56.72 2h5m n SER 2 Cb 0.00 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 61.66 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 1.18 3.96 0.00 6.43 2.47 -1.26 -5.07 114.94 122.65 2h5m s ASN 3 Ca 0.62 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.27 2h5m s ASN 3 Cb 0.21 -0.57 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 2h5m s ASN 3 CO -0.09 0.13 0.00 0.00 -3.72 0.00 0.00 177.10 173.43 2h5m n LEU 4 N 0.35 0.00 -1.29 3.21 -0.00 -1.26 -2.49 117.00 115.52 2h5m n LEU 4 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2h5m n LEU 4 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2h5m n LEU 4 CO 0.32 0.00 -0.34 -0.62 -0.00 0.00 0.00 177.39 176.74 2h5m n GLU 5 N 0.00 -3.65 -2.57 1.47 1.02 -1.26 -3.10 120.64 112.56 2h5m n GLU 5 Ca 0.00 2.66 -0.41 0.00 -0.02 0.00 0.00 57.16 59.39 2h5m n GLU 5 Cb 0.00 -2.96 -0.03 0.00 -0.02 0.00 0.00 31.44 28.43 2h5m n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2h5m s ILE 6 N -2.25 3.77 0.05 -3.67 1.01 -1.26 -3.68 121.20 115.16 2h5m s ILE 6 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 2h5m s ILE 6 Cb 0.00 -4.92 -0.06 0.00 0.01 0.00 0.00 42.46 37.49 2h5m s ILE 6 CO 0.00 -1.85 0.57 -0.54 0.00 0.00 0.00 174.94 173.13 2h5m s LYS 7 N 5.60 4.23 -0.09 2.79 -0.14 0.86 -4.87 119.74 128.12 2h5m s LYS 7 Ca 0.35 0.74 0.01 0.00 -1.36 0.00 0.00 55.97 55.71 2h5m s LYS 7 Cb -0.08 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 2h5m s LYS 7 CO 0.13 0.57 -0.11 1.14 -0.76 0.00 0.00 175.35 176.32 2h5m s GLN 8 N -0.87 3.00 -0.24 1.68 -2.07 -1.26 -0.75 119.66 119.16 2h5m s GLN 8 Ca 0.29 -0.63 -0.30 0.00 -1.82 0.00 0.00 55.36 52.90 2h5m s GLN 8 Cb -0.19 -2.58 0.17 0.00 -1.09 0.00 0.00 33.01 29.31 2h5m s GLN 8 CO 0.18 0.45 1.23 0.20 -1.32 0.00 0.00 175.29 176.04 2h5m s GLY 9 N -0.27 -0.07 -1.73 2.60 0.00 -0.37 -4.98 107.32 102.51 2h5m s GLY 9 Ca 0.03 2.43 -0.15 0.00 0.00 0.00 0.00 44.72 47.02 2h5m s GLY 9 CO 0.03 1.01 0.47 -1.84 0.00 0.00 0.00 173.10 172.76 2h5m n GLU 10 N 0.50 -1.46 -3.54 2.90 0.28 -1.26 -0.28 120.64 117.78 2h5m n GLU 10 Ca -0.03 0.19 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 2h5m n GLU 10 Cb 0.58 -4.48 0.07 0.00 1.43 0.00 0.00 31.44 29.05 2h5m n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2h5m n ASN 11 N -2.65 -2.98 -3.68 -1.84 3.02 -1.26 -4.94 115.26 100.92 2h5m n ASN 11 Ca -0.04 -0.65 -0.10 0.00 -0.03 0.00 0.00 54.58 53.76 2h5m n ASN 11 Cb 0.54 -4.85 -0.09 0.00 -0.61 0.00 0.00 39.78 34.77 2h5m n ASN 11 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h5m s LYS 12 N -5.75 0.52 -0.28 3.52 2.20 0.62 -2.24 119.74 118.33 2h5m s LYS 12 Ca 0.17 0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 56.54 2h5m s LYS 12 Cb -0.08 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2h5m s LYS 12 CO 0.75 -0.13 0.14 -0.06 -0.36 0.00 0.00 175.35 175.69 2h5m s PHE 13 N 1.14 3.16 0.03 4.03 0.08 -0.46 -1.23 117.98 124.73 2h5m s PHE 13 Ca -0.07 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2h5m s PHE 13 Cb -0.06 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2h5m s PHE 13 CO -0.11 -0.32 -0.09 1.52 -0.10 0.00 0.00 175.22 176.13 2h5m s TYR 14 N 1.67 0.78 -0.23 0.36 1.13 0.07 -0.86 117.35 120.27 2h5m s TYR 14 Ca 0.06 -0.34 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 2h5m s TYR 14 Cb -0.16 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.22 2h5m s TYR 14 CO 0.07 -0.03 -0.01 0.42 -2.51 0.00 0.00 175.55 173.49 2h5m s ILE 15 N -0.88 3.58 0.00 -3.49 1.01 0.84 -0.10 121.20 122.17 2h5m s ILE 15 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2h5m s ILE 15 Cb -0.07 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2h5m s ILE 15 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2h5m n GLY 16 N 4.82 1.64 0.13 6.18 0.00 -1.18 -1.09 105.19 115.68 2h5m n GLY 16 Ca -0.18 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 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 0.21 -4.81 1.61 3.58 -1.68 -3.42 116.42 111.92 2h5m h ASP 17 Ca 0.00 -0.16 -0.24 0.00 0.42 0.00 0.00 57.03 57.04 2h5m h ASP 17 Cb 0.00 -0.06 -0.20 0.00 1.72 0.00 0.00 39.33 40.78 2h5m h ASP 17 CO 0.00 0.95 -0.72 -0.62 -2.88 0.00 0.00 179.24 175.97 2h5m s ASP 18 N -6.90 0.76 0.18 2.28 2.15 -1.26 -4.96 116.67 108.92 2h5m s ASP 18 Ca -0.02 -0.62 -0.14 0.00 0.43 0.00 0.00 52.55 52.20 2h5m s ASP 18 Cb 0.11 0.06 0.16 0.00 -0.30 0.00 0.00 42.92 42.95 2h5m s ASP 18 CO 0.82 -0.27 1.69 -0.33 -0.17 0.00 0.00 175.17 176.91 2h5m h GLU 19 N 4.28 0.13 0.00 4.34 3.07 -2.00 -1.05 114.58 123.36 2h5m h GLU 19 Ca -0.35 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.41 2h5m h GLU 19 Cb 1.20 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2h5m h GLU 19 CO 0.45 0.09 -0.43 -0.97 -1.40 0.00 0.00 179.01 176.75 2h5m h ASN 20 N 0.13 0.00 -0.74 1.42 -1.24 -2.00 -2.98 115.58 110.17 2h5m h ASN 20 Ca 0.23 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.86 2h5m h ASN 20 Cb 0.34 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.16 2h5m h ASN 20 CO -0.37 0.43 0.49 0.59 -1.29 0.00 0.00 177.43 177.27 2h5m n ASN 21 N -3.47 3.55 -4.63 1.15 3.02 -0.47 -4.93 115.26 109.48 2h5m n ASN 21 Ca 0.00 -3.18 -0.43 0.00 -0.03 0.00 0.00 54.58 50.94 2h5m n ASN 21 Cb 0.57 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 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 -2.43 3.33 0.28 5.41 0.00 -0.76 -4.35 121.76 123.24 2h5m s ALA 22 Ca 0.42 0.56 0.11 0.00 0.00 0.00 0.00 51.96 53.04 2h5m s ALA 22 Cb 0.35 -3.83 0.39 0.00 0.00 0.00 0.00 23.12 20.03 2h5m s ALA 22 CO 0.08 -1.85 1.63 -0.07 0.00 0.00 0.00 175.76 175.55 2h5m h LEU 23 N 11.47 0.00 -7.26 0.00 3.38 -1.43 -3.45 115.31 118.03 2h5m h LEU 23 Ca -0.35 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 2h5m h LEU 23 Cb 1.16 -0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.66 2h5m h LEU 23 CO 0.99 0.60 -0.24 0.00 0.09 0.00 0.00 178.44 179.88 2h5m s ALA 24 N -3.67 -1.08 -0.05 1.53 0.00 -1.14 -0.04 121.76 117.32 2h5m s ALA 24 Ca -0.01 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 2h5m s ALA 24 Cb 0.13 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2h5m s ALA 24 CO 0.76 -0.23 0.25 -1.83 0.00 0.00 0.00 175.76 174.71 2h5m s GLU 25 N 0.69 0.47 -0.05 0.00 -1.05 0.34 -0.11 118.70 118.98 2h5m s GLU 25 Ca -0.04 0.00 0.02 0.00 -0.15 0.00 0.00 54.97 54.81 2h5m s GLU 25 Cb -0.05 0.21 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2h5m s GLU 25 CO -0.05 -0.10 -0.11 -1.50 0.95 0.00 0.00 175.26 174.45 2h5m s ILE 26 N -0.70 1.00 -0.04 1.83 2.07 -0.04 -1.27 121.20 124.05 2h5m s ILE 26 Ca -0.08 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 2h5m s ILE 26 Cb -0.04 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 2h5m s ILE 26 CO 0.02 0.32 -0.11 0.42 -1.91 0.00 0.00 174.94 173.68 2h5m s THR 27 N 0.57 3.32 -0.02 4.00 -4.23 -0.96 -1.35 115.64 116.97 2h5m s THR 27 Ca -0.11 -0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.63 2h5m s THR 27 Cb -0.14 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2h5m s THR 27 CO 0.02 0.55 0.16 -0.72 -0.54 0.00 0.00 174.62 174.10 2h5m s TYR 28 N -0.81 -0.04 0.03 3.99 1.13 -0.95 -0.77 117.35 119.94 2h5m s TYR 28 Ca 0.13 0.06 0.05 0.00 -1.41 0.00 0.00 57.07 55.89 2h5m s TYR 28 Cb -0.11 -0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 2h5m s TYR 28 CO 0.02 -0.25 -0.15 1.03 -2.51 0.00 0.00 175.55 173.69 2h5m s ARG 29 N -1.00 1.04 -0.92 -3.49 0.52 -0.16 -4.70 118.95 110.24 2h5m s ARG 29 Ca -0.11 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.15 2h5m s ARG 29 Cb -0.06 -1.06 0.06 0.00 0.52 0.00 0.00 34.95 34.42 2h5m s ARG 29 CO 0.01 0.27 1.33 -0.06 0.02 0.00 0.00 175.30 176.87 2h5m s PHE 30 N -0.72 2.57 0.12 -0.53 0.40 -1.26 -0.43 117.98 118.13 2h5m s PHE 30 Ca 0.03 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.68 2h5m s PHE 30 Cb -0.07 -4.59 -0.19 0.00 0.51 0.00 0.00 43.02 38.68 2h5m s PHE 30 CO 0.01 -1.88 1.27 -0.39 0.70 0.00 0.00 175.22 174.92 2h5m h VAL 31 N 6.42 1.63 -0.49 -0.44 -1.51 -1.73 -3.39 116.25 116.74 2h5m h VAL 31 Ca 0.05 -3.21 -0.28 0.00 -1.23 0.00 0.00 66.70 62.03 2h5m h VAL 31 Cb 1.03 2.81 -0.30 0.00 -2.13 0.00 0.00 31.29 32.70 2h5m h VAL 31 CO 1.33 0.92 -0.83 -0.67 -1.23 0.00 0.00 177.57 177.09 2h5m n ASP 32 N -3.44 0.16 0.00 4.19 2.03 -1.12 -5.03 116.55 113.34 2h5m n ASP 32 Ca -0.02 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.83 2h5m n ASP 32 Cb 0.94 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2h5m n ASP 32 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2h5m n ASN 33 N -0.49 0.00 -1.07 1.67 4.05 -1.26 -3.42 115.26 114.74 2h5m n ASN 33 Ca 0.02 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.03 2h5m n ASN 33 Cb 0.83 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.87 2h5m n ASN 33 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2h5m n ASN 34 N 1.11 2.87 -3.66 1.20 4.13 -1.26 -4.63 115.26 115.01 2h5m n ASN 34 Ca 0.00 -2.17 -0.09 0.00 1.68 0.00 0.00 54.58 54.00 2h5m n ASN 34 Cb 0.00 -0.54 -0.10 0.00 -1.54 0.00 0.00 39.78 37.61 2h5m n ASN 34 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h5m s GLU 35 N -0.48 0.31 -0.09 3.52 2.12 -1.22 -0.11 118.70 122.75 2h5m s GLU 35 Ca 0.06 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.44 2h5m s GLU 35 Cb 0.05 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 2h5m s GLU 35 CO 0.01 -0.25 -0.18 0.96 -0.54 0.00 0.00 175.26 175.26 2h5m s ILE 36 N 2.58 2.68 -0.26 -3.70 -4.36 0.87 -1.83 121.20 117.18 2h5m s ILE 36 Ca -0.02 -0.83 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 2h5m s ILE 36 Cb -0.12 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 2h5m s ILE 36 CO -0.13 0.56 0.11 0.21 0.24 0.00 0.00 174.94 175.93 2h5m s ASN 37 N -0.08 5.45 -0.24 4.36 2.47 0.43 -1.12 114.94 126.21 2h5m s ASN 37 Ca -0.04 -0.13 -0.28 0.00 0.42 0.00 0.00 52.86 52.83 2h5m s ASN 37 Cb -0.14 -1.99 0.01 0.00 -1.45 0.00 0.00 41.25 37.67 2h5m s ASN 37 CO 0.04 -0.03 1.00 -0.63 -3.72 0.00 0.00 177.10 173.76 2h5m s ILE 38 N 1.62 4.70 -0.04 -5.21 1.01 -0.32 -0.99 121.20 121.95 2h5m s ILE 38 Ca 0.06 1.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.58 2h5m s ILE 38 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2h5m s ILE 38 CO 0.06 -0.19 0.23 0.44 0.00 0.00 0.00 174.94 175.48 2h5m h ASP 39 N 7.56 -0.12 -5.34 3.58 3.32 -1.28 -1.36 116.42 122.78 2h5m h ASP 39 Ca -0.20 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 2h5m h ASP 39 Cb 1.07 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 2h5m h ASP 39 CO 0.96 0.17 -0.44 -1.38 -1.72 0.00 0.00 179.24 176.83 2h5m s HIS 40 N -1.95 0.61 -0.21 4.55 -3.43 -1.26 -4.02 115.29 109.58 2h5m s HIS 40 Ca -0.02 -0.96 -0.04 0.00 -0.80 0.00 0.00 55.06 53.23 2h5m s HIS 40 Cb 0.00 -0.22 0.07 0.00 -1.43 0.00 0.00 32.58 31.00 2h5m s HIS 40 CO 0.06 -0.66 0.08 0.99 -2.00 0.00 0.00 174.74 173.22 2h5m s THR 41 N -4.01 0.15 -0.19 -5.38 2.01 -1.26 -2.27 115.64 104.69 2h5m s THR 41 Ca 0.21 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2h5m s THR 41 Cb 0.05 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2h5m s THR 41 CO 0.02 -0.39 -0.09 -0.83 -0.69 0.00 0.00 174.62 172.64 2h5m s GLY 42 N 2.02 1.56 -0.03 4.40 0.00 -0.40 -4.99 107.32 109.87 2h5m s GLY 42 Ca 0.03 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.69 2h5m s GLY 42 CO -0.16 0.20 -0.07 0.14 0.00 0.00 0.00 173.10 173.22 2h5m s VAL 43 N 1.07 0.63 -0.31 1.40 1.01 -1.26 -0.50 120.40 122.45 2h5m s VAL 43 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2h5m s VAL 43 Cb -0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2h5m s VAL 43 CO -0.02 0.22 0.44 -0.44 0.00 0.00 0.00 175.10 175.31 2h5m s SER 44 N 0.46 6.29 -0.18 3.32 0.01 0.95 -4.99 113.70 119.56 2h5m s SER 44 Ca -0.07 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 2h5m s SER 44 Cb -0.10 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.94 2h5m s SER 44 CO 0.00 -0.33 0.05 -0.62 0.41 0.00 0.00 173.24 172.75 2h5m s ASP 45 N 1.68 2.66 -0.08 2.44 -1.08 -1.26 -4.95 116.67 116.08 2h5m s ASP 45 Ca 0.17 -0.71 0.12 0.00 -0.52 0.00 0.00 52.55 51.61 2h5m s ASP 45 Cb -0.16 -0.49 0.30 0.00 -1.46 0.00 0.00 42.92 41.11 2h5m s ASP 45 CO 0.11 -0.31 1.22 -1.84 0.52 0.00 0.00 175.17 174.87 2h5m n GLU 46 N 5.12 2.56 -0.04 4.34 0.00 -1.26 -4.62 120.64 126.74 2h5m n GLU 46 Ca -0.08 -2.27 -0.07 0.00 0.00 0.00 0.00 57.16 54.74 2h5m n GLU 46 Cb 0.48 -1.42 -0.03 0.00 0.00 0.00 0.00 31.44 30.47 2h5m n GLU 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2h5m n LEU 47 N -0.44 1.67 0.00 -1.84 4.77 -1.26 -5.08 117.00 114.82 2h5m n LEU 47 Ca 0.13 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2h5m n LEU 47 Cb 0.57 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2h5m n LEU 47 CO 0.07 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2h5m n GLY 48 N 2.80 0.72 0.00 -0.72 0.00 -1.26 -5.01 105.19 101.71 2h5m n GLY 48 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 3.48 -0.02 0.00 -1.26 -5.10 105.19 102.30 2h5m n GLY 49 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.45 0.00 1.61 -1.52 -1.26 -4.89 119.66 117.05 2h5m s GLN 50 Ca 0.00 -1.28 -0.03 0.00 -1.95 0.00 0.00 55.36 52.09 2h5m s GLN 50 Cb 0.00 -4.80 -0.15 0.00 -0.22 0.00 0.00 33.01 27.83 2h5m s GLN 50 CO 0.00 -1.91 2.86 0.41 -0.25 0.00 0.00 175.29 176.39 2h5m n GLY 51 N 5.77 2.73 0.25 3.09 0.00 -1.26 -4.33 105.19 111.43 2h5m n GLY 51 Ca 0.18 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 1.61 1.29 0.00 1.61 2.07 -1.96 -2.82 116.25 118.04 2h5m h VAL 52 Ca 0.11 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 2h5m h VAL 52 Cb 1.26 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2h5m h VAL 52 CO 0.14 0.52 -0.17 1.23 0.02 0.00 0.00 177.57 179.30 2h5m h GLY 53 N 0.91 0.00 1.32 2.17 0.00 -1.94 -2.05 103.07 103.48 2h5m h GLY 53 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 2h5m h GLY 53 CO 0.09 0.00 -0.11 0.50 0.00 0.00 0.00 176.54 177.02 2h5m h LYS 54 N 0.00 0.80 -0.44 4.80 1.57 -1.84 -1.10 116.57 120.37 2h5m h LYS 54 Ca -0.00 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 2h5m h LYS 54 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2h5m h LYS 54 CO 0.02 0.88 -0.22 0.87 -0.57 0.00 0.00 179.45 180.43 2h5m h LYS 55 N 0.73 0.94 -0.00 3.15 1.57 -1.35 -0.80 116.57 120.80 2h5m h LYS 55 Ca 0.12 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2h5m h LYS 55 Cb 0.60 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2h5m h LYS 55 CO 0.04 1.07 0.00 -0.07 -0.57 0.00 0.00 179.45 179.92 2h5m h LEU 56 N 0.77 0.00 -1.30 2.94 3.38 -1.21 -1.98 115.31 117.91 2h5m h LEU 56 Ca 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2h5m h LEU 56 Cb 0.80 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2h5m h LEU 56 CO 0.07 0.15 -0.03 0.25 0.09 0.00 0.00 178.44 178.97 2h5m h LEU 57 N -0.15 0.41 -0.27 1.67 5.85 -1.19 -1.67 115.31 119.96 2h5m h LEU 57 Ca 0.00 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2h5m h LEU 57 Cb 0.15 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2h5m h LEU 57 CO -0.00 0.50 0.15 0.50 -0.34 0.00 0.00 178.44 179.24 2h5m h LYS 58 N 0.42 0.30 -0.64 1.25 3.11 -0.80 0.15 116.57 120.35 2h5m h LYS 58 Ca 0.09 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.85 2h5m h LYS 58 Cb 0.33 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 2h5m h LYS 58 CO 0.01 0.20 0.15 0.00 -2.81 0.00 0.00 179.45 176.99 2h5m h ALA 59 N 1.13 0.85 0.27 5.00 0.00 -0.94 0.05 119.26 125.61 2h5m h ALA 59 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2h5m h ALA 59 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2h5m h ALA 59 CO -0.06 0.57 -0.13 0.28 0.00 0.00 0.00 179.25 179.90 2h5m h VAL 60 N 0.95 0.75 -0.44 0.00 2.07 -0.85 0.56 116.25 119.29 2h5m h VAL 60 Ca 0.20 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2h5m h VAL 60 Cb 0.37 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2h5m h VAL 60 CO 0.00 0.03 0.25 0.58 0.02 0.00 0.00 177.57 178.46 2h5m h VAL 61 N -0.44 1.15 0.17 2.57 2.07 -0.65 0.13 116.25 121.25 2h5m h VAL 61 Ca -0.04 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2h5m h VAL 61 Cb 0.33 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2h5m h VAL 61 CO 0.06 0.16 -0.14 -0.08 0.02 0.00 0.00 177.57 177.59 2h5m h GLU 62 N 0.58 -0.31 -0.80 1.57 4.81 -0.88 0.19 114.58 119.74 2h5m h GLU 62 Ca 0.16 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2h5m h GLU 62 Cb 0.03 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2h5m h GLU 62 CO -0.03 -0.21 0.39 1.25 -0.73 0.00 0.00 179.01 179.68 2h5m h HIS 63 N -0.33 1.15 -0.14 0.92 2.76 -0.74 -1.51 115.15 117.27 2h5m h HIS 63 Ca -0.00 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2h5m h HIS 63 Cb 0.30 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2h5m h HIS 63 CO -0.12 0.83 0.06 0.00 -1.30 0.00 0.00 177.93 177.40 2h5m h ALA 64 N 1.20 0.18 -0.65 5.26 0.00 -0.40 -2.53 119.26 122.33 2h5m h ALA 64 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2h5m h ALA 64 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2h5m h ALA 64 CO -0.03 -0.24 0.37 -0.09 0.00 0.00 0.00 179.25 179.25 2h5m h ARG 65 N 0.07 0.88 0.00 0.00 2.43 -0.41 0.34 114.38 117.69 2h5m h ARG 65 Ca 0.05 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2h5m h ARG 65 Cb 0.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2h5m h ARG 65 CO -0.00 0.64 -0.25 0.93 -1.51 0.00 0.00 179.97 179.77 2h5m h GLU 66 N 0.89 0.00 -0.44 0.20 5.08 -1.04 -2.51 114.58 116.76 2h5m h GLU 66 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2h5m h GLU 66 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2h5m h GLU 66 CO -0.04 0.25 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 2h5m n ASN 67 N -4.11 3.64 -3.56 1.42 3.02 -0.63 -4.96 115.26 110.08 2h5m n ASN 67 Ca -0.02 -2.31 -0.26 0.00 -0.03 0.00 0.00 54.58 51.96 2h5m n ASN 67 Cb 0.31 -0.40 0.03 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.56 -5.28 -4.85 6.41 4.05 -0.10 -4.96 115.26 111.09 2h5m n ASN 68 Ca 0.18 -0.55 -0.36 0.00 0.45 0.00 0.00 54.58 54.30 2h5m n ASN 68 Cb 0.65 -4.23 -0.06 0.00 1.23 0.00 0.00 39.78 37.37 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2h5m s LEU 69 N -7.03 4.39 0.11 1.20 1.43 0.10 -4.87 118.68 114.00 2h5m s LEU 69 Ca 0.53 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2h5m s LEU 69 Cb -0.25 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 2h5m s LEU 69 CO 0.65 0.18 0.41 -0.54 0.23 0.00 0.00 176.35 177.28 2h5m s LYS 70 N -1.69 3.73 -0.15 1.70 1.02 0.84 -4.43 119.74 120.76 2h5m s LYS 70 Ca 0.33 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2h5m s LYS 70 Cb -0.15 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2h5m s LYS 70 CO 0.18 0.52 -0.15 0.42 -0.92 0.00 0.00 175.35 175.39 2h5m s ILE 71 N -1.49 2.68 -0.28 2.17 1.01 0.57 -0.09 121.20 125.77 2h5m s ILE 71 Ca 0.36 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2h5m s ILE 71 Cb -0.13 -2.13 0.08 0.00 0.01 0.00 0.00 42.46 40.29 2h5m s ILE 71 CO 0.20 0.52 0.02 0.27 0.00 0.00 0.00 174.94 175.94 2h5m s ILE 72 N 0.78 1.46 -0.13 2.92 -4.36 -0.28 -2.99 121.20 118.60 2h5m s ILE 72 Ca -0.06 -1.50 -0.17 0.00 -0.26 0.00 0.00 60.65 58.67 2h5m s ILE 72 Cb -0.15 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2h5m s ILE 72 CO 0.00 -0.39 0.41 0.00 0.24 0.00 0.00 174.94 175.20 2h5m s ALA 73 N 1.37 3.52 -0.26 2.27 0.00 -1.26 -1.18 121.76 126.22 2h5m s ALA 73 Ca 0.03 -0.29 0.21 0.00 0.00 0.00 0.00 51.96 51.92 2h5m s ALA 73 Cb -0.18 -2.55 0.06 0.00 0.00 0.00 0.00 23.12 20.45 2h5m s ALA 73 CO -0.12 0.04 1.16 0.77 0.00 0.00 0.00 175.76 177.61 2h5m h SER 74 N 6.67 0.00 -3.29 0.00 0.02 -1.50 -3.42 113.55 112.02 2h5m h SER 74 Ca -0.41 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.99 2h5m h SER 74 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2h5m h SER 74 CO 0.75 0.11 0.51 0.00 -1.14 0.00 0.00 176.83 177.06 2h5m h SER 76 N 7.00 0.85 0.44 0.00 0.02 -1.95 0.11 113.55 120.01 2h5m h SER 76 Ca -0.36 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2h5m h SER 76 Cb 1.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2h5m h SER 76 CO 0.81 0.52 -0.21 0.15 -1.14 0.00 0.00 176.83 176.97 2h5m h PHE 77 N 0.95 -0.55 -0.85 3.45 3.57 -1.98 -1.21 116.94 120.32 2h5m h PHE 77 Ca 0.40 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2h5m h PHE 77 Cb 0.30 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2h5m h PHE 77 CO -0.00 -0.23 0.43 0.00 -2.23 0.00 0.00 178.31 176.28 2h5m h ALA 78 N -0.42 1.15 -0.73 2.41 0.00 -1.90 -1.61 119.26 118.16 2h5m h ALA 78 Ca -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2h5m h ALA 78 Cb 0.56 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2h5m h ALA 78 CO 0.10 0.66 0.34 -0.22 0.00 0.00 0.00 179.25 180.13 2h5m h LYS 79 N 1.21 1.05 -0.17 0.00 3.64 -0.78 -1.41 116.57 120.10 2h5m h LYS 79 Ca 0.30 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2h5m h LYS 79 Cb 0.09 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2h5m h LYS 79 CO -0.04 0.83 -0.25 1.25 -2.27 0.00 0.00 179.45 178.97 2h5m h HIS 80 N 1.02 0.34 -0.35 1.91 2.76 -0.73 -2.08 115.15 118.02 2h5m h HIS 80 Ca 0.25 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.22 2h5m h HIS 80 Cb 0.13 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2h5m h HIS 80 CO 0.01 0.54 -0.33 0.52 -1.30 0.00 0.00 177.93 177.37 2h5m h MET 81 N 0.28 0.78 -0.40 5.26 2.86 -0.67 -0.34 114.93 122.70 2h5m h MET 81 Ca 0.04 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 2h5m h MET 81 Cb 0.60 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2h5m h MET 81 CO 0.04 1.00 -0.02 -0.07 1.06 0.00 0.00 176.91 178.92 2h5m h LEU 82 N 0.66 0.72 -0.40 1.22 3.38 -0.90 -2.66 115.31 117.33 2h5m h LEU 82 Ca 0.07 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 2h5m h LEU 82 Cb 0.87 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2h5m h LEU 82 CO 0.08 0.86 -0.53 1.05 0.09 0.00 0.00 178.44 179.99 2h5m h GLU 83 N 0.55 0.00 -0.18 1.13 4.11 -1.35 -3.21 114.58 115.63 2h5m h GLU 83 Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 2h5m h GLU 83 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2h5m h GLU 83 CO 0.02 0.53 -0.40 -0.22 0.07 0.00 0.00 179.01 179.01 2h5m h LYS 84 N 0.00 0.42 -5.09 1.06 3.11 -0.91 -3.41 116.57 111.73 2h5m h LYS 84 Ca -0.01 -0.20 -0.63 0.00 -2.81 0.00 0.00 60.65 57.00 2h5m h LYS 84 Cb 1.24 -0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 32.31 2h5m h LYS 84 CO 0.07 0.75 -0.28 -2.00 -2.81 0.00 0.00 179.45 175.18 2h5m s GLU 85 N -4.21 3.94 0.32 1.90 2.56 -1.01 -4.95 118.70 117.25 2h5m s GLU 85 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.97 54.87 2h5m s GLU 85 Cb 0.13 -3.68 0.63 0.00 2.00 0.00 0.00 34.13 33.21 2h5m s GLU 85 CO 0.80 -0.30 1.91 0.22 -0.56 0.00 0.00 175.26 177.33 2h5m h ASP 86 N 8.24 0.81 0.70 -1.70 3.58 -1.84 -0.64 116.42 125.57 2h5m h ASP 86 Ca -0.32 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 2h5m h ASP 86 Cb 1.16 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2h5m h ASP 86 CO 0.64 0.50 -0.27 0.28 -2.88 0.00 0.00 179.24 177.51 2h5m h SER 87 N 0.90 0.00 1.37 2.28 0.02 -1.92 -2.60 113.55 113.59 2h5m h SER 87 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2h5m h SER 87 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2h5m h SER 87 CO -0.15 0.27 -0.45 1.88 -1.14 0.00 0.00 176.83 177.24 2h5m h TYR 88 N 0.00 0.00 0.00 3.45 0.05 -1.36 -3.24 116.97 115.88 2h5m h TYR 88 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2h5m h TYR 88 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 2h5m h TYR 88 CO 0.00 0.00 0.00 1.04 -1.05 0.00 0.00 178.16 178.15 2h5m n GLN 89 N -2.63 0.01 -0.07 4.88 6.02 -0.85 -1.01 117.38 123.72 2h5m n GLN 89 Ca 0.03 0.32 -0.15 0.00 -0.01 0.00 0.00 57.00 57.19 2h5m n GLN 89 Cb 0.50 -1.51 -0.05 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 0.86 0.11 1.08 3.58 -1.69 -3.32 116.42 117.05 2h5m h ASP 90 Ca 0.00 -0.55 -0.21 0.00 0.42 0.00 0.00 57.03 56.69 2h5m h ASP 90 Cb 0.19 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2h5m h ASP 90 CO 0.00 1.26 -2.11 1.33 -2.88 0.00 0.00 179.24 176.84 2h5m n VAL 91 N -4.10 0.88 -2.52 2.25 0.24 -0.99 -4.91 118.33 109.18 2h5m n VAL 91 Ca -0.05 -0.71 -0.42 0.00 -2.04 0.00 0.00 64.34 61.12 2h5m n VAL 91 Cb 0.61 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 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 -2.91 3.52 0.00 6.34 5.04 -0.18 -0.31 117.35 128.84 2h5m s TYR 92 Ca -0.08 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 2h5m s TYR 92 Cb 0.09 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 39.09 2h5m s TYR 92 CO 0.85 -0.82 0.00 1.47 -1.34 0.00 0.00 175.55 175.71 2h5m n LEU 93 N 3.83 1.47 0.00 6.97 -0.00 -1.16 -4.75 117.00 123.37 2h5m n LEU 93 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2h5m n LEU 93 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2h5m n LEU 93 CO 0.54 0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.79 2h5m n GLY 94 N 2.94 3.68 3.62 1.47 0.00 -1.26 -4.56 105.19 111.08 2h5m n GLY 94 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2h5m n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h5m s LEU 95 N 0.00 3.72 0.13 0.99 1.02 -1.26 -4.99 118.68 118.30 2h5m s LEU 95 Ca 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 54.13 54.09 2h5m s LEU 95 Cb 0.00 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2h5m s LEU 95 CO 0.00 0.20 1.51 -0.33 0.02 0.00 0.00 176.35 177.74 2h5m h GLU 96 N 6.50 0.84 -4.85 1.70 5.08 -2.05 -3.45 114.58 118.35 2h5m h GLU 96 Ca -0.38 -0.37 -0.34 0.00 -1.00 0.00 0.00 59.36 57.27 2h5m h GLU 96 Cb 1.18 -0.02 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 2h5m h GLU 96 CO 0.68 1.01 -0.76 -1.58 -1.00 0.00 0.00 179.01 177.36 2h5m s HIS 97 N -4.62 0.87 -0.22 4.33 5.04 -1.26 -5.09 115.29 114.35 2h5m s HIS 97 Ca -0.12 -0.42 -0.29 0.00 -1.54 0.00 0.00 55.06 52.69 2h5m s HIS 97 Cb 0.11 -0.51 -0.06 0.00 0.04 0.00 0.00 32.58 32.15 2h5m s HIS 97 CO 0.84 -0.02 2.20 1.58 -2.34 0.00 0.00 174.74 177.00 2h5m n HIS 98 N 1.65 1.96 -4.40 3.88 -0.00 -1.26 -4.95 115.22 112.09 2h5m n HIS 98 Ca -0.21 -0.09 -0.33 0.00 0.46 0.00 0.00 57.72 57.56 2h5m n HIS 98 Cb 0.55 -2.71 -0.10 0.00 -0.12 0.00 0.00 29.99 27.61 2h5m n HIS 98 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2h5m s HIS 99 N 7.84 2.99 0.13 1.57 5.04 -1.26 -5.10 115.29 126.50 2h5m s HIS 99 Ca 1.01 0.04 -0.29 0.00 -1.54 0.00 0.00 55.06 54.28 2h5m s HIS 99 Cb -0.42 -1.66 -0.06 0.00 0.04 0.00 0.00 32.58 30.47 2h5m s HIS 99 CO 0.38 0.41 0.90 -1.58 -2.34 0.00 0.00 174.74 172.51 2h5m s HIS 100 N -1.00 3.84 0.90 3.88 2.46 -1.26 -5.04 115.29 119.07 2h5m s HIS 100 Ca 0.17 1.74 -0.11 0.00 0.47 0.00 0.00 55.06 57.33 2h5m s HIS 100 Cb -0.11 -2.97 0.13 0.00 -0.13 0.00 0.00 32.58 29.50 2h5m s HIS 100 CO 0.07 0.29 1.11 -3.38 -2.47 0.00 0.00 174.74 170.36 2h5m s HIS 101 N -0.32 2.00 -2.08 3.88 -3.43 -1.26 -5.30 115.29 108.77 2h5m s HIS 101 Ca 0.43 1.56 0.31 0.00 -0.80 0.00 0.00 55.06 56.57 2h5m s HIS 101 Cb -0.23 -3.19 1.77 0.00 -1.43 0.00 0.00 32.58 29.49 2h5m s HIS 101 CO 0.29 -2.55 2.15 0.72 -2.00 0.00 0.00 174.74 173.34