#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 6.09 0.14 7.83 0.01 -1.26 -4.63 113.70 121.87 2h5m s SER 2 Ca 0.00 -1.32 -0.12 0.00 1.31 0.00 0.00 55.95 55.82 2h5m s SER 2 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2h5m s SER 2 CO 0.00 -1.89 0.31 0.21 0.41 0.00 0.00 173.24 172.28 2h5m s ASN 3 N 5.83 -0.04 0.00 2.44 2.47 -1.26 -5.09 114.94 119.30 2h5m s ASN 3 Ca 0.54 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.20 2h5m s ASN 3 Cb -0.02 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 2h5m s ASN 3 CO -0.05 -0.86 0.00 0.00 -3.72 0.00 0.00 177.10 172.47 2h5m n LEU 4 N -0.19 0.00 -1.04 3.21 -0.00 -1.26 -3.54 117.00 114.18 2h5m n LEU 4 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2h5m n LEU 4 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 2h5m n LEU 4 CO 0.21 0.00 -0.30 -0.62 -0.00 0.00 0.00 177.39 176.68 2h5m n GLU 5 N 0.00 -2.97 -2.47 1.47 1.02 -1.26 -2.93 120.64 113.50 2h5m n GLU 5 Ca 0.00 2.22 -0.40 0.00 -0.02 0.00 0.00 57.16 58.96 2h5m n GLU 5 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 31.44 28.85 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 -3.22 3.74 -0.22 -3.67 1.01 -1.26 -3.66 121.20 113.91 2h5m s ILE 6 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 2h5m s ILE 6 Cb 0.00 -4.81 -0.02 0.00 0.01 0.00 0.00 42.46 37.64 2h5m s ILE 6 CO 0.00 -1.73 0.65 -0.54 0.00 0.00 0.00 174.94 173.32 2h5m s LYS 7 N 5.69 4.17 0.26 2.79 -0.14 0.39 -4.92 119.74 127.98 2h5m s LYS 7 Ca 0.44 0.63 0.03 0.00 -1.36 0.00 0.00 55.97 55.72 2h5m s LYS 7 Cb -0.06 -3.61 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 2h5m s LYS 7 CO 0.06 -0.33 0.41 1.14 -0.76 0.00 0.00 175.35 175.87 2h5m s GLN 8 N 2.22 3.46 0.00 1.68 -2.07 -1.26 -0.62 119.66 123.06 2h5m s GLN 8 Ca 0.29 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 2h5m s GLN 8 Cb -0.16 -2.82 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 2h5m s GLN 8 CO 0.09 0.35 0.00 0.41 -1.32 0.00 0.00 175.29 174.83 2h5m n GLY 9 N -1.43 3.75 4.35 2.60 0.00 -0.67 -4.97 105.19 108.82 2h5m n GLY 9 Ca -0.07 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2h5m n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2h5m n GLU 10 N -1.17 -1.63 -3.66 1.61 0.28 -1.26 -0.15 120.64 114.66 2h5m n GLU 10 Ca 0.00 0.21 -0.25 0.00 -0.16 0.00 0.00 57.16 56.96 2h5m n GLU 10 Cb 0.00 -4.49 0.07 0.00 1.43 0.00 0.00 31.44 28.45 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 -2.68 -5.59 -3.73 -1.84 3.02 -1.26 -4.94 115.26 98.24 2h5m n ASN 11 Ca -0.06 -0.61 -0.13 0.00 -0.03 0.00 0.00 54.58 53.76 2h5m n ASN 11 Cb 0.55 -4.77 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 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 -6.30 0.45 -0.34 3.52 2.20 0.78 -2.33 119.74 117.72 2h5m s LYS 12 Ca 0.54 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.65 2h5m s LYS 12 Cb -0.25 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2h5m s LYS 12 CO 0.75 -0.07 0.14 -0.06 -0.36 0.00 0.00 175.35 175.75 2h5m s PHE 13 N 0.37 3.21 -0.03 4.03 0.08 -0.77 -1.68 117.98 123.19 2h5m s PHE 13 Ca -0.01 -1.05 0.06 0.00 0.12 0.00 0.00 56.93 56.05 2h5m s PHE 13 Cb -0.04 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.07 2h5m s PHE 13 CO -0.01 -0.63 -0.19 1.52 -0.10 0.00 0.00 175.22 175.81 2h5m s TYR 14 N 1.51 1.78 -0.23 0.36 1.13 0.21 -1.35 117.35 120.76 2h5m s TYR 14 Ca 0.01 -0.40 -0.06 0.00 -1.41 0.00 0.00 57.07 55.21 2h5m s TYR 14 Cb -0.18 -1.17 -0.03 0.00 -1.10 0.00 0.00 41.96 39.48 2h5m s TYR 14 CO 0.04 -0.08 0.04 0.42 -2.51 0.00 0.00 175.55 173.46 2h5m s ILE 15 N -0.30 4.13 0.00 -3.49 1.01 0.12 -0.46 121.20 122.20 2h5m s ILE 15 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2h5m s ILE 15 Cb -0.09 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2h5m s ILE 15 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2h5m n GLY 16 N 4.66 0.09 0.08 6.18 0.00 -1.15 0.23 105.19 115.28 2h5m n GLY 16 Ca -0.17 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 -5.17 1.61 3.58 -1.69 -3.41 116.42 111.35 2h5m h ASP 17 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2h5m h ASP 17 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2h5m h ASP 17 CO 0.00 0.85 -0.53 -0.62 -2.88 0.00 0.00 179.24 176.06 2h5m s ASP 18 N -6.43 0.28 0.42 2.28 2.15 -1.26 -4.96 116.67 109.14 2h5m s ASP 18 Ca 0.00 -0.75 0.09 0.00 0.43 0.00 0.00 52.55 52.32 2h5m s ASP 18 Cb 0.09 0.25 0.90 0.00 -0.30 0.00 0.00 42.92 43.86 2h5m s ASP 18 CO 0.80 -0.61 2.03 -0.33 -0.17 0.00 0.00 175.17 176.89 2h5m h GLU 19 N 3.19 0.37 -0.46 4.34 3.07 -2.00 -0.28 114.58 122.80 2h5m h GLU 19 Ca -0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2h5m h GLU 19 Cb 1.17 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2h5m h GLU 19 CO 0.58 0.31 0.00 0.09 -1.40 0.00 0.00 179.01 178.59 2h5m n ASN 20 N -4.42 2.43 -2.24 1.42 4.13 -1.26 -3.84 115.26 111.47 2h5m n ASN 20 Ca 0.01 -2.02 -0.01 0.00 1.68 0.00 0.00 54.58 54.23 2h5m n ASN 20 Cb 0.13 -0.31 0.05 0.00 -1.54 0.00 0.00 39.78 38.11 2h5m n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h5m n ASN 21 N 0.78 1.82 -4.70 6.41 3.02 -0.15 -5.08 115.26 117.36 2h5m n ASN 21 Ca 0.15 -2.33 -0.42 0.00 -0.03 0.00 0.00 54.58 51.95 2h5m n ASN 21 Cb 0.39 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.71 3.36 -0.23 5.41 0.00 -1.03 -3.99 121.76 122.57 2h5m s ALA 22 Ca 0.32 0.65 0.19 0.00 0.00 0.00 0.00 51.96 53.13 2h5m s ALA 22 Cb 0.35 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 20.09 2h5m s ALA 22 CO -0.07 -0.49 1.20 -0.07 0.00 0.00 0.00 175.76 176.34 2h5m h LEU 23 N 7.32 0.00 -7.07 0.00 3.38 -0.57 -3.46 115.31 114.91 2h5m h LEU 23 Ca -0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2h5m h LEU 23 Cb 1.19 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.72 2h5m h LEU 23 CO 0.82 0.27 -0.01 0.00 0.09 0.00 0.00 178.44 179.61 2h5m s ALA 24 N -3.12 -1.61 -0.12 1.53 0.00 -1.13 -0.80 121.76 116.50 2h5m s ALA 24 Ca 0.02 1.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.82 2h5m s ALA 24 Cb 0.08 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.09 2h5m s ALA 24 CO 0.76 -0.32 0.32 -1.83 0.00 0.00 0.00 175.76 174.69 2h5m s GLU 25 N 0.82 0.37 -0.07 0.00 -1.05 0.76 0.13 118.70 119.66 2h5m s GLU 25 Ca -0.04 0.45 0.03 0.00 -0.15 0.00 0.00 54.97 55.26 2h5m s GLU 25 Cb -0.05 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.82 2h5m s GLU 25 CO -0.07 -0.05 -0.17 -1.50 0.95 0.00 0.00 175.26 174.43 2h5m s ILE 26 N 0.21 1.48 -0.12 1.83 2.07 -0.46 -0.93 121.20 125.28 2h5m s ILE 26 Ca -0.00 -0.69 -0.02 0.00 -1.41 0.00 0.00 60.65 58.53 2h5m s ILE 26 Cb -0.02 -1.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 2h5m s ILE 26 CO 0.00 0.43 -0.06 0.42 -1.91 0.00 0.00 174.94 173.82 2h5m s THR 27 N 0.44 3.73 -0.03 4.00 -4.23 -0.91 -1.85 115.64 116.79 2h5m s THR 27 Ca -0.14 -0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2h5m s THR 27 Cb -0.16 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.13 2h5m s THR 27 CO 0.05 0.54 0.03 -0.72 -0.54 0.00 0.00 174.62 173.98 2h5m s TYR 28 N -0.11 0.17 0.01 3.99 1.13 -0.98 -1.62 117.35 119.94 2h5m s TYR 28 Ca 0.02 0.10 0.05 0.00 -1.41 0.00 0.00 57.07 55.83 2h5m s TYR 28 Cb -0.13 -0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 40.30 2h5m s TYR 28 CO 0.03 -0.15 -0.13 1.03 -2.51 0.00 0.00 175.55 173.82 2h5m s ARG 29 N 1.41 2.32 -0.85 -3.49 0.52 0.28 -4.70 118.95 114.45 2h5m s ARG 29 Ca -0.05 -0.84 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 2h5m s ARG 29 Cb -0.13 -2.33 0.08 0.00 0.52 0.00 0.00 34.95 33.09 2h5m s ARG 29 CO -0.03 0.58 1.19 -0.06 0.02 0.00 0.00 175.30 177.00 2h5m s PHE 30 N -0.91 2.71 -0.30 -0.53 0.40 -1.26 -0.11 117.98 117.97 2h5m s PHE 30 Ca 0.15 -0.81 0.22 0.00 -0.60 0.00 0.00 56.93 55.89 2h5m s PHE 30 Cb -0.11 -4.45 0.12 0.00 0.51 0.00 0.00 43.02 39.09 2h5m s PHE 30 CO 0.05 -1.74 1.25 -0.39 0.70 0.00 0.00 175.22 175.09 2h5m h VAL 31 N 6.15 0.04 -0.07 -0.44 -1.51 -1.80 -3.38 116.25 115.24 2h5m h VAL 31 Ca -0.02 -1.07 -0.17 0.00 -1.23 0.00 0.00 66.70 64.20 2h5m h VAL 31 Cb 1.04 1.72 -0.27 0.00 -2.13 0.00 0.00 31.29 31.65 2h5m h VAL 31 CO 1.24 0.02 -0.69 -0.67 -1.23 0.00 0.00 177.57 176.24 2h5m n ASP 32 N -2.85 0.07 0.00 4.19 2.03 -1.20 -5.02 116.55 113.76 2h5m n ASP 32 Ca 0.01 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.29 2h5m n ASP 32 Cb 0.56 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.14 0.00 -1.11 1.67 2.85 -1.26 -3.79 115.26 113.49 2h5m n ASN 33 Ca -0.09 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.37 2h5m n ASN 33 Cb 0.91 0.00 0.11 0.00 1.24 0.00 0.00 39.78 42.04 2h5m n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h5m n ASN 34 N 1.74 2.80 -3.61 1.20 4.13 -1.26 -4.66 115.26 115.59 2h5m n ASN 34 Ca 0.00 -2.38 -0.19 0.00 1.68 0.00 0.00 54.58 53.68 2h5m n ASN 34 Cb 0.00 -0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.51 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 -1.44 0.07 -0.23 3.52 2.12 -1.25 -0.17 118.70 121.33 2h5m s GLU 35 Ca 0.19 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.77 2h5m s GLU 35 Cb 0.15 -0.86 -0.03 0.00 0.26 0.00 0.00 34.13 33.65 2h5m s GLU 35 CO 0.05 -0.47 0.04 0.96 -0.54 0.00 0.00 175.26 175.30 2h5m s ILE 36 N 2.26 4.20 -0.31 -3.70 -4.36 0.47 -2.10 121.20 117.66 2h5m s ILE 36 Ca 0.04 -0.22 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 2h5m s ILE 36 Cb -0.14 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.61 2h5m s ILE 36 CO -0.08 0.38 0.21 0.21 0.24 0.00 0.00 174.94 175.91 2h5m s ASN 37 N 1.29 6.00 -0.31 4.36 2.47 0.84 -1.14 114.94 128.45 2h5m s ASN 37 Ca 0.04 -0.26 -0.24 0.00 0.42 0.00 0.00 52.86 52.83 2h5m s ASN 37 Cb -0.15 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 2h5m s ASN 37 CO 0.02 -0.16 0.81 -0.63 -3.72 0.00 0.00 177.10 173.43 2h5m s ILE 38 N 1.73 4.77 -0.06 -5.21 1.01 -0.41 -0.55 121.20 122.47 2h5m s ILE 38 Ca 0.06 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.88 2h5m s ILE 38 Cb -0.17 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2h5m s ILE 38 CO 0.10 -0.26 0.30 0.44 0.00 0.00 0.00 174.94 175.52 2h5m h ASP 39 N 8.10 -0.22 -5.33 3.58 3.32 -1.64 0.40 116.42 124.64 2h5m h ASP 39 Ca -0.24 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 2h5m h ASP 39 Cb 1.09 0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 2h5m h ASP 39 CO 0.90 0.23 -0.42 -1.38 -1.72 0.00 0.00 179.24 176.84 2h5m s HIS 40 N -2.38 0.57 -0.38 4.55 -3.43 -1.26 -4.01 115.29 108.96 2h5m s HIS 40 Ca -0.04 -0.93 0.01 0.00 -0.80 0.00 0.00 55.06 53.30 2h5m s HIS 40 Cb 0.00 -0.20 0.14 0.00 -1.43 0.00 0.00 32.58 31.10 2h5m s HIS 40 CO 0.11 -0.67 0.23 0.99 -2.00 0.00 0.00 174.74 173.41 2h5m s THR 41 N -4.00 0.46 -0.54 -5.38 2.01 -1.26 -2.13 115.64 104.79 2h5m s THR 41 Ca 0.21 -2.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.01 2h5m s THR 41 Cb 0.05 -1.34 0.09 0.00 0.01 0.00 0.00 72.50 71.30 2h5m s THR 41 CO 0.02 -1.00 0.62 -0.83 -0.69 0.00 0.00 174.62 172.74 2h5m s GLY 42 N 0.79 1.83 -0.08 4.40 0.00 -0.11 -4.96 107.32 109.18 2h5m s GLY 42 Ca 0.20 -2.06 0.04 0.00 0.00 0.00 0.00 44.72 42.90 2h5m s GLY 42 CO -0.02 1.45 -0.21 0.14 0.00 0.00 0.00 173.10 174.46 2h5m s VAL 43 N 2.46 1.82 -0.02 1.40 1.01 -1.26 -0.17 120.40 125.64 2h5m s VAL 43 Ca 0.11 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2h5m s VAL 43 Cb -0.23 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2h5m s VAL 43 CO 0.08 0.51 1.21 -0.55 0.00 0.00 0.00 175.10 176.35 2h5m s SER 44 N 0.26 7.05 -0.30 3.32 0.15 0.02 -4.98 113.70 119.22 2h5m s SER 44 Ca -0.13 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 58.39 2h5m s SER 44 Cb -0.16 -2.56 0.19 0.00 -1.71 0.00 0.00 66.02 61.78 2h5m s SER 44 CO 0.06 -0.56 0.59 -0.62 1.20 0.00 0.00 173.24 173.92 2h5m s ASP 45 N 1.39 -1.34 0.00 5.45 -1.08 -1.26 -4.91 116.67 114.92 2h5m s ASP 45 Ca 0.57 0.85 0.13 0.00 -0.52 0.00 0.00 52.55 53.58 2h5m s ASP 45 Cb -0.26 2.14 0.22 0.00 -1.46 0.00 0.00 42.92 43.56 2h5m s ASP 45 CO 0.24 -0.26 1.09 -0.62 0.52 0.00 0.00 175.17 176.15 2h5m n GLU 46 N 5.43 1.78 -0.06 4.34 -0.58 -1.26 -4.51 120.64 125.78 2h5m n GLU 46 Ca -0.01 -1.69 -0.07 0.00 -0.42 0.00 0.00 57.16 54.97 2h5m n GLU 46 Cb 0.51 -1.28 -0.07 0.00 -0.57 0.00 0.00 31.44 30.03 2h5m n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2h5m n LEU 47 N 0.71 1.40 -0.43 -4.62 4.77 -1.26 -5.06 117.00 112.50 2h5m n LEU 47 Ca 0.10 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2h5m n LEU 47 Cb 0.39 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2h5m n LEU 47 CO 0.09 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2h5m n GLY 48 N 2.62 0.79 0.00 -0.72 0.00 -1.26 -4.99 105.19 101.62 2h5m n GLY 48 Ca -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.43 0.00 3.63 -0.02 0.00 -1.26 -5.12 105.19 101.99 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 3.92 0.20 1.61 1.11 -1.26 -4.86 119.66 120.38 2h5m s GLN 50 Ca 0.00 1.47 0.20 0.00 0.01 0.00 0.00 55.36 57.04 2h5m s GLN 50 Cb 0.00 -3.93 0.88 0.00 -1.01 0.00 0.00 33.01 28.96 2h5m s GLN 50 CO 0.00 -1.12 1.61 0.41 0.01 0.00 0.00 175.29 176.19 2h5m n GLY 51 N 4.35 -1.09 0.28 3.09 0.00 -1.26 -3.01 105.19 107.54 2h5m n GLY 51 Ca 0.16 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 0.80 -0.56 1.61 2.07 -1.95 0.30 116.25 118.52 2h5m h VAL 52 Ca 0.00 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2h5m h VAL 52 Cb 0.25 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2h5m h VAL 52 CO 0.00 0.11 0.08 1.23 0.02 0.00 0.00 177.57 179.01 2h5m h GLY 53 N 0.61 1.01 1.24 2.17 0.00 -1.91 -1.94 103.07 104.24 2h5m h GLY 53 Ca 0.39 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2h5m h GLY 53 CO -0.30 0.63 -0.28 0.50 0.00 0.00 0.00 176.54 177.09 2h5m h LYS 54 N 0.83 0.86 -0.63 4.80 1.57 -1.52 -2.92 116.57 119.57 2h5m h LYS 54 Ca 0.17 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2h5m h LYS 54 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2h5m h LYS 54 CO 0.01 1.03 0.39 -0.22 -0.57 0.00 0.00 179.45 180.10 2h5m h LYS 55 N 0.73 0.76 -0.19 3.15 3.64 -0.21 0.11 116.57 124.56 2h5m h LYS 55 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2h5m h LYS 55 Cb 0.83 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2h5m h LYS 55 CO 0.07 0.50 0.10 -0.07 -2.27 0.00 0.00 179.45 177.79 2h5m h LEU 56 N 0.78 0.24 -0.82 5.20 3.38 -1.26 -1.81 115.31 121.02 2h5m h LEU 56 Ca 0.25 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2h5m h LEU 56 Cb -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2h5m h LEU 56 CO -0.09 0.26 0.06 0.25 0.09 0.00 0.00 178.44 179.01 2h5m h LEU 57 N 0.20 0.91 -0.56 1.67 5.85 -1.30 -2.70 115.31 119.38 2h5m h LEU 57 Ca 0.07 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2h5m h LEU 57 Cb 0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2h5m h LEU 57 CO -0.01 0.93 0.32 0.50 -0.34 0.00 0.00 178.44 179.84 2h5m h LYS 58 N 0.89 0.60 -0.39 1.25 3.11 -0.52 0.04 116.57 121.55 2h5m h LYS 58 Ca 0.18 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.94 2h5m h LYS 58 Cb 0.43 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2h5m h LYS 58 CO 0.01 0.40 0.08 0.00 -2.81 0.00 0.00 179.45 177.14 2h5m h ALA 59 N 1.27 1.41 0.05 5.00 0.00 -1.07 -0.77 119.26 125.15 2h5m h ALA 59 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2h5m h ALA 59 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2h5m h ALA 59 CO -0.13 0.43 -0.02 0.28 0.00 0.00 0.00 179.25 179.80 2h5m h VAL 60 N 0.57 1.25 -0.82 0.00 2.07 -1.02 -2.66 116.25 115.65 2h5m h VAL 60 Ca 0.13 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.67 2h5m h VAL 60 Cb 0.24 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2h5m h VAL 60 CO -0.00 0.26 0.51 0.58 0.02 0.00 0.00 177.57 178.93 2h5m h VAL 61 N -0.53 1.07 0.37 2.57 2.07 -0.81 0.17 116.25 121.16 2h5m h VAL 61 Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2h5m h VAL 61 Cb 0.47 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2h5m h VAL 61 CO 0.01 0.17 -0.29 -0.33 0.02 0.00 0.00 177.57 177.16 2h5m h GLU 62 N 0.95 -0.63 -0.45 1.57 5.08 -1.16 0.71 114.58 120.66 2h5m h GLU 62 Ca 0.34 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2h5m h GLU 62 Cb 0.10 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2h5m h GLU 62 CO -0.15 -0.42 0.12 1.25 -1.00 0.00 0.00 179.01 178.81 2h5m h HIS 63 N -0.66 0.67 0.20 4.33 2.76 -1.17 -2.07 115.15 119.21 2h5m h HIS 63 Ca -0.03 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2h5m h HIS 63 Cb 0.57 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2h5m h HIS 63 CO -0.14 0.57 -0.10 0.00 -1.30 0.00 0.00 177.93 176.96 2h5m h ALA 64 N 1.49 -0.27 -0.18 5.26 0.00 -0.20 -2.23 119.26 123.12 2h5m h ALA 64 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2h5m h ALA 64 Cb 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2h5m h ALA 64 CO -0.01 -0.62 0.03 -0.09 0.00 0.00 0.00 179.25 178.56 2h5m h ARG 65 N -0.32 0.25 0.00 0.00 2.43 -0.62 0.34 114.38 116.46 2h5m h ARG 65 Ca -0.03 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2h5m h ARG 65 Cb 0.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2h5m h ARG 65 CO 0.05 0.25 -0.32 0.93 -1.51 0.00 0.00 179.97 179.37 2h5m h GLU 66 N 0.26 0.00 -0.31 0.20 5.08 -1.03 -2.90 114.58 115.87 2h5m h GLU 66 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2h5m h GLU 66 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2h5m h GLU 66 CO -0.00 0.32 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 2h5m n ASN 67 N -3.79 3.05 -2.62 1.42 3.02 -0.41 -4.96 115.26 110.97 2h5m n ASN 67 Ca -0.01 -2.20 -0.20 0.00 -0.03 0.00 0.00 54.58 52.14 2h5m n ASN 67 Cb 0.40 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.25 -5.50 -4.70 6.41 2.85 0.22 -4.93 115.26 109.86 2h5m n ASN 68 Ca 0.13 -0.07 -0.42 0.00 -0.11 0.00 0.00 54.58 54.11 2h5m n ASN 68 Cb 0.51 -4.55 -0.03 0.00 1.24 0.00 0.00 39.78 36.94 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2h5m s LEU 69 N -6.16 4.32 0.18 1.20 1.43 0.96 -4.90 118.68 115.70 2h5m s LEU 69 Ca 0.10 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.44 2h5m s LEU 69 Cb -0.05 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 2h5m s LEU 69 CO 0.13 -0.28 0.83 -0.54 0.23 0.00 0.00 176.35 176.71 2h5m s LYS 70 N 1.26 4.65 -0.18 1.70 1.02 0.76 -4.48 119.74 124.47 2h5m s LYS 70 Ca 0.48 1.26 -0.04 0.00 0.02 0.00 0.00 55.97 57.68 2h5m s LYS 70 Cb -0.19 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2h5m s LYS 70 CO 0.23 0.54 -0.02 0.42 -0.92 0.00 0.00 175.35 175.61 2h5m s ILE 71 N -1.11 3.95 -0.26 2.17 1.01 0.14 -0.39 121.20 126.70 2h5m s ILE 71 Ca 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 2h5m s ILE 71 Cb -0.24 -2.76 0.08 0.00 0.01 0.00 0.00 42.46 39.55 2h5m s ILE 71 CO 0.28 0.46 0.04 0.27 0.00 0.00 0.00 174.94 176.00 2h5m s ILE 72 N 0.63 0.99 -0.10 2.92 -4.36 -0.29 -2.70 121.20 118.29 2h5m s ILE 72 Ca -0.01 -1.17 -0.13 0.00 -0.26 0.00 0.00 60.65 59.08 2h5m s ILE 72 Cb -0.14 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 2h5m s ILE 72 CO 0.02 -0.41 0.31 0.00 0.24 0.00 0.00 174.94 175.10 2h5m s ALA 73 N 1.60 3.67 -0.20 2.27 0.00 -1.26 -1.29 121.76 126.54 2h5m s ALA 73 Ca 0.03 -0.40 0.19 0.00 0.00 0.00 0.00 51.96 51.79 2h5m s ALA 73 Cb -0.18 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2h5m s ALA 73 CO -0.15 0.31 1.08 0.77 0.00 0.00 0.00 175.76 177.76 2h5m h SER 74 N 5.74 0.00 -3.51 0.00 0.02 -1.16 -3.44 113.55 111.20 2h5m h SER 74 Ca -0.47 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.95 2h5m h SER 74 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2h5m h SER 74 CO 0.68 0.28 0.37 0.00 -1.14 0.00 0.00 176.83 177.01 2h5m h SER 76 N 6.02 0.78 0.35 0.00 4.64 -1.95 0.34 113.55 123.73 2h5m h SER 76 Ca -0.42 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2h5m h SER 76 Cb 1.21 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2h5m h SER 76 CO 0.73 0.56 -0.17 0.15 -0.87 0.00 0.00 176.83 177.24 2h5m h PHE 77 N 0.92 -0.43 -0.72 4.77 3.57 -1.99 -0.06 116.94 123.01 2h5m h PHE 77 Ca 0.26 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2h5m h PHE 77 Cb -0.09 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2h5m h PHE 77 CO -0.03 -0.20 0.47 0.00 -2.23 0.00 0.00 178.31 176.32 2h5m h ALA 78 N 0.05 0.92 -0.86 2.41 0.00 -1.94 -1.11 119.26 118.73 2h5m h ALA 78 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2h5m h ALA 78 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2h5m h ALA 78 CO 0.08 0.30 0.42 -0.22 0.00 0.00 0.00 179.25 179.83 2h5m h LYS 79 N 0.94 1.23 -0.56 0.00 3.64 -0.82 -1.74 116.57 119.27 2h5m h LYS 79 Ca 0.27 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2h5m h LYS 79 Cb -0.07 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 2h5m h LYS 79 CO -0.08 0.94 0.05 1.25 -2.27 0.00 0.00 179.45 179.34 2h5m h HIS 80 N 1.22 0.99 -0.63 1.91 2.76 -0.37 -1.45 115.15 119.57 2h5m h HIS 80 Ca 0.30 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2h5m h HIS 80 Cb 0.10 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 2h5m h HIS 80 CO 0.01 0.87 0.13 0.52 -1.30 0.00 0.00 177.93 178.16 2h5m h MET 81 N 0.87 1.01 -0.31 5.26 2.86 -0.68 -0.91 114.93 123.02 2h5m h MET 81 Ca 0.17 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 2h5m h MET 81 Cb 0.44 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2h5m h MET 81 CO 0.02 0.91 -0.34 -0.07 1.06 0.00 0.00 176.91 178.49 2h5m h LEU 82 N 0.96 0.72 -0.16 1.22 3.38 -0.96 -2.23 115.31 118.24 2h5m h LEU 82 Ca 0.20 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2h5m h LEU 82 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2h5m h LEU 82 CO 0.00 1.00 0.00 1.05 0.09 0.00 0.00 178.44 180.58 2h5m h GLU 83 N 0.58 0.00 0.00 1.13 4.11 -1.01 -3.01 114.58 116.38 2h5m h GLU 83 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2h5m h GLU 83 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2h5m h GLU 83 CO 0.07 0.00 -0.00 -0.22 0.07 0.00 0.00 179.01 178.93 2h5m h LYS 84 N 0.00 -0.00 -6.47 1.06 3.11 -0.85 -3.45 116.57 109.96 2h5m h LYS 84 Ca 0.00 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.30 2h5m h LYS 84 Cb 0.81 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2h5m h LYS 84 CO 0.00 0.48 0.51 -2.00 -2.81 0.00 0.00 179.45 175.63 2h5m s GLU 85 N -1.87 4.47 0.18 1.90 2.56 -0.87 -4.93 118.70 120.13 2h5m s GLU 85 Ca -0.09 1.68 -0.11 0.00 0.00 0.00 0.00 54.97 56.46 2h5m s GLU 85 Cb -0.01 -3.37 0.08 0.00 2.00 0.00 0.00 34.13 32.82 2h5m s GLU 85 CO 0.33 -0.20 1.69 0.22 -0.56 0.00 0.00 175.26 176.74 2h5m h ASP 86 N 6.76 0.93 0.17 -1.70 3.58 -1.87 -1.74 116.42 122.55 2h5m h ASP 86 Ca -0.42 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 56.77 2h5m h ASP 86 Cb 1.22 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2h5m h ASP 86 CO 0.79 0.92 -0.18 0.28 -2.88 0.00 0.00 179.24 178.18 2h5m h SER 87 N 0.90 0.00 0.48 2.28 0.02 -1.92 -2.28 113.55 113.03 2h5m h SER 87 Ca 0.19 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.91 2h5m h SER 87 Cb 0.35 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2h5m h SER 87 CO 0.00 0.18 -1.02 1.88 -1.14 0.00 0.00 176.83 176.73 2h5m h TYR 88 N 0.00 0.51 0.00 3.45 -1.99 -1.67 -3.13 116.97 114.14 2h5m h TYR 88 Ca -0.00 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.42 2h5m h TYR 88 Cb 0.31 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.00 2h5m h TYR 88 CO 0.00 1.15 0.00 1.96 -0.00 0.00 0.00 178.16 181.27 2h5m h GLN 89 N 0.16 0.00 -0.14 4.88 4.20 -0.73 0.13 115.11 123.61 2h5m h GLN 89 Ca -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2h5m h GLN 89 Cb 1.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 2h5m h GLN 89 CO 0.17 0.00 0.02 0.22 -0.67 0.00 0.00 178.83 178.57 2h5m h ASP 90 N 0.00 0.22 0.37 1.46 3.58 -1.47 -3.28 116.42 117.29 2h5m h ASP 90 Ca 0.00 -0.26 -0.19 0.00 0.42 0.00 0.00 57.03 56.99 2h5m h ASP 90 Cb 0.19 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 2h5m h ASP 90 CO 0.00 0.42 -1.80 1.33 -2.88 0.00 0.00 179.24 176.31 2h5m n VAL 91 N -4.81 1.02 -2.51 2.25 0.24 -1.02 -4.85 118.33 108.65 2h5m n VAL 91 Ca -0.05 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.34 61.11 2h5m n VAL 91 Cb 0.18 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.00 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 2.96 -0.14 6.34 5.04 0.43 -0.69 117.35 128.39 2h5m s TYR 92 Ca -0.06 1.10 0.06 0.00 -2.44 0.00 0.00 57.07 55.74 2h5m s TYR 92 Cb 0.09 -3.59 -0.13 0.00 0.35 0.00 0.00 41.96 38.68 2h5m s TYR 92 CO 0.84 -1.28 -0.04 1.47 -1.34 0.00 0.00 175.55 175.20 2h5m n LEU 93 N 6.86 1.37 0.00 6.97 -0.00 -1.10 -4.66 117.00 126.44 2h5m n LEU 93 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 2h5m n LEU 93 Cb 0.46 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2h5m n LEU 93 CO 0.57 0.51 0.00 0.61 -0.00 0.00 0.00 177.39 179.09 2h5m n GLY 94 N 2.48 1.54 3.34 1.47 0.00 -1.24 -4.67 105.19 108.11 2h5m n GLY 94 Ca -0.23 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 2.24 0.17 0.99 1.02 -1.26 -4.93 118.68 116.91 2h5m s LEU 95 Ca 0.00 -0.41 0.24 0.00 0.02 0.00 0.00 54.13 53.98 2h5m s LEU 95 Cb 0.00 -1.41 0.34 0.00 0.02 0.00 0.00 46.19 45.14 2h5m s LEU 95 CO 0.00 0.30 1.35 -0.33 0.02 0.00 0.00 176.35 177.69 2h5m h GLU 96 N 5.65 0.00 -2.42 1.70 5.08 -2.05 -3.46 114.58 119.08 2h5m h GLU 96 Ca -0.40 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2h5m h GLU 96 Cb 1.15 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.19 2h5m h GLU 96 CO 0.48 0.00 -0.02 -1.58 -1.00 0.00 0.00 179.01 176.89 2h5m s HIS 97 N -3.20 -0.51 0.04 4.33 5.04 -1.26 -5.12 115.29 114.61 2h5m s HIS 97 Ca 0.06 1.01 -0.30 0.00 -1.54 0.00 0.00 55.06 54.28 2h5m s HIS 97 Cb 0.12 0.25 -0.09 0.00 0.04 0.00 0.00 32.58 32.90 2h5m s HIS 97 CO 0.71 -0.44 1.92 -1.58 -2.34 0.00 0.00 174.74 173.01 2h5m s HIS 98 N -0.73 1.49 -0.08 3.88 2.46 -1.26 -4.98 115.29 116.07 2h5m s HIS 98 Ca -0.08 -0.33 0.02 0.00 0.47 0.00 0.00 55.06 55.14 2h5m s HIS 98 Cb -0.03 -4.20 0.01 0.00 -0.13 0.00 0.00 32.58 28.23 2h5m s HIS 98 CO 0.05 -5.30 -0.13 -1.58 -2.47 0.00 0.00 174.74 165.31 2h5m s HIS 99 N 4.13 1.65 0.21 3.88 5.04 -1.26 -5.12 115.29 123.83 2h5m s HIS 99 Ca 0.86 -0.69 -0.30 0.00 -1.54 0.00 0.00 55.06 53.39 2h5m s HIS 99 Cb -0.42 -1.22 -0.09 0.00 0.04 0.00 0.00 32.58 30.90 2h5m s HIS 99 CO 0.40 -0.36 1.21 -1.58 -2.34 0.00 0.00 174.74 172.06 2h5m s HIS 100 N 0.85 3.39 0.82 3.88 2.46 -1.26 -5.00 115.29 120.42 2h5m s HIS 100 Ca -0.10 1.42 -0.11 0.00 0.47 0.00 0.00 55.06 56.74 2h5m s HIS 100 Cb -0.15 -3.46 0.09 0.00 -0.13 0.00 0.00 32.58 28.92 2h5m s HIS 100 CO 0.01 -1.29 1.13 -3.38 -2.47 0.00 0.00 174.74 168.74 2h5m s HIS 101 N -0.25 2.12 -2.00 3.88 -3.43 -1.26 -5.32 115.29 109.03 2h5m s HIS 101 Ca 0.52 1.66 0.28 0.00 -0.80 0.00 0.00 55.06 56.72 2h5m s HIS 101 Cb -0.34 -3.23 1.68 0.00 -1.43 0.00 0.00 32.58 29.26 2h5m s HIS 101 CO 0.39 -2.31 2.02 0.72 -2.00 0.00 0.00 174.74 173.56