#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 8.39 -3.93 7.83 7.64 -1.26 -4.89 113.62 127.39 2h5m n SER 2 Ca 0.00 -2.73 -0.13 0.00 1.01 0.00 0.00 58.87 57.03 2h5m n SER 2 Cb 0.00 -1.50 0.04 0.00 -1.01 0.00 0.00 64.21 61.75 2h5m n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2h5m n ASN 3 N 2.99 1.38 -2.19 6.43 2.85 -1.26 -4.57 115.26 120.90 2h5m n ASN 3 Ca 0.72 -2.01 -0.20 0.00 -0.11 0.00 0.00 54.58 52.98 2h5m n ASN 3 Cb 0.27 -0.28 -0.02 0.00 1.24 0.00 0.00 39.78 40.99 2h5m n ASN 3 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2h5m n LEU 4 N 0.00 -1.85 -4.84 1.20 4.32 -1.26 -4.97 117.00 109.60 2h5m n LEU 4 Ca 0.11 0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.85 2h5m n LEU 4 Cb 0.39 -2.84 0.06 0.00 -1.62 0.00 0.00 43.42 39.42 2h5m n LEU 4 CO 0.25 -0.32 0.72 -1.61 -1.22 0.00 0.00 177.39 175.21 2h5m s GLU 5 N -4.82 2.68 -0.77 3.23 2.02 -1.26 -4.94 118.70 114.84 2h5m s GLU 5 Ca 0.00 0.69 -0.26 0.00 0.02 0.00 0.00 54.97 55.43 2h5m s GLU 5 Cb 0.00 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.25 2h5m s GLU 5 CO 0.00 -1.21 1.59 0.42 0.02 0.00 0.00 175.26 176.08 2h5m s ILE 6 N -3.18 3.59 -0.14 -1.63 1.01 -1.26 -4.68 121.20 114.92 2h5m s ILE 6 Ca 0.59 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 2h5m s ILE 6 Cb -0.13 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 2h5m s ILE 6 CO 0.54 -1.43 0.98 -0.54 0.00 0.00 0.00 174.94 174.49 2h5m s LYS 7 N 6.22 4.38 0.32 2.79 1.02 -0.30 -4.89 119.74 129.28 2h5m s LYS 7 Ca 0.52 1.33 -0.27 0.00 0.02 0.00 0.00 55.97 57.57 2h5m s LYS 7 Cb -0.08 -3.56 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 2h5m s LYS 7 CO 0.11 -0.37 1.01 1.14 -0.92 0.00 0.00 175.35 176.32 2h5m s GLN 8 N 2.23 4.51 0.00 1.68 -2.07 -1.26 -0.46 119.66 124.28 2h5m s GLN 8 Ca 0.46 1.52 0.00 0.00 -1.82 0.00 0.00 55.36 55.52 2h5m s GLN 8 Cb -0.17 -2.88 0.00 0.00 -1.09 0.00 0.00 33.01 28.86 2h5m s GLN 8 CO 0.15 0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.70 2h5m n GLY 9 N 0.78 4.45 3.56 2.60 0.00 0.85 -4.88 105.19 112.54 2h5m n GLY 9 Ca 0.02 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.54 2.28 -1.62 1.61 -1.05 -1.26 -2.82 118.70 114.30 2h5m s GLU 10 Ca 0.00 0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 55.26 2h5m s GLU 10 Cb 0.00 -4.72 0.01 0.00 -0.44 0.00 0.00 34.13 28.98 2h5m s GLU 10 CO 0.00 -3.41 0.41 -1.71 0.95 0.00 0.00 175.26 171.50 2h5m n ASN 11 N 15.04 -5.97 -2.70 0.83 5.15 -1.26 -4.93 115.26 121.41 2h5m n ASN 11 Ca 0.35 -0.20 -0.09 0.00 -0.60 0.00 0.00 54.58 54.05 2h5m n ASN 11 Cb 0.49 -4.88 0.03 0.00 -0.53 0.00 0.00 39.78 34.89 2h5m n ASN 11 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2h5m n LYS 12 N -3.70 1.07 -4.15 1.20 2.85 -1.13 -2.89 118.16 111.42 2h5m n LYS 12 Ca -0.15 -2.13 -0.16 0.00 -1.05 0.00 0.00 58.31 54.82 2h5m n LYS 12 Cb 0.64 2.65 -0.14 0.00 -0.65 0.00 0.00 35.03 37.53 2h5m n LYS 12 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2h5m s PHE 13 N -2.51 0.51 0.16 5.58 0.08 -0.58 -0.11 117.98 121.11 2h5m s PHE 13 Ca 0.15 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 56.92 2h5m s PHE 13 Cb -0.05 -0.32 0.02 0.00 -0.57 0.00 0.00 43.02 42.10 2h5m s PHE 13 CO 0.12 -0.02 0.39 1.52 -0.10 0.00 0.00 175.22 177.13 2h5m s TYR 14 N -0.29 0.02 -0.07 0.36 1.13 0.39 -0.56 117.35 118.35 2h5m s TYR 14 Ca 0.01 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 2h5m s TYR 14 Cb -0.03 0.19 0.02 0.00 -1.10 0.00 0.00 41.96 41.04 2h5m s TYR 14 CO -0.00 -0.77 -0.07 0.42 -2.51 0.00 0.00 175.55 172.62 2h5m s ILE 15 N -3.88 0.83 0.00 -3.49 1.01 0.16 -1.15 121.20 114.68 2h5m s ILE 15 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2h5m s ILE 15 Cb 0.02 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2h5m s ILE 15 CO -0.05 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2h5m n GLY 16 N 4.27 1.18 0.40 6.18 0.00 -1.26 -1.27 105.19 114.69 2h5m n GLY 16 Ca -0.20 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.84 -4.57 1.61 3.58 -1.97 -3.47 116.42 110.77 2h5m h ASP 17 Ca 0.00 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2h5m h ASP 17 Cb 0.00 0.22 -0.15 0.00 1.72 0.00 0.00 39.33 41.12 2h5m h ASP 17 CO 0.00 -0.53 -0.66 -0.62 -2.88 0.00 0.00 179.24 174.55 2h5m s ASP 18 N -4.38 1.16 0.36 2.28 2.15 -1.26 -5.04 116.67 111.94 2h5m s ASP 18 Ca -0.17 -1.16 0.06 0.00 0.43 0.00 0.00 52.55 51.71 2h5m s ASP 18 Cb 0.02 0.13 0.69 0.00 -0.30 0.00 0.00 42.92 43.46 2h5m s ASP 18 CO 0.54 -0.57 1.92 -0.33 -0.17 0.00 0.00 175.17 176.56 2h5m h GLU 19 N 2.72 0.48 -0.39 4.34 5.08 -1.98 0.81 114.58 125.64 2h5m h GLU 19 Ca -0.36 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 2h5m h GLU 19 Cb 1.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2h5m h GLU 19 CO 0.63 0.48 -0.23 -0.97 -1.00 0.00 0.00 179.01 177.91 2h5m h ASN 20 N 0.47 0.88 -0.90 1.42 -0.73 -2.01 -3.02 115.58 111.70 2h5m h ASN 20 Ca 0.11 -0.42 -0.56 0.00 1.87 0.00 0.00 56.30 57.29 2h5m h ASN 20 Cb 0.25 -0.24 -0.29 0.00 0.27 0.00 0.00 38.32 38.31 2h5m h ASN 20 CO 0.00 1.11 0.51 -3.20 -0.37 0.00 0.00 177.43 175.49 2h5m n ASN 21 N -4.20 5.64 -4.73 1.15 2.85 -0.99 -5.00 115.26 109.98 2h5m n ASN 21 Ca -0.02 -3.74 -0.42 0.00 -0.11 0.00 0.00 54.58 50.30 2h5m n ASN 21 Cb 0.45 -0.83 -0.03 0.00 1.24 0.00 0.00 39.78 40.62 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h5m s ALA 22 N -3.58 3.69 0.08 5.20 0.00 0.24 -4.29 121.76 123.10 2h5m s ALA 22 Ca 0.59 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.73 2h5m s ALA 22 Cb 0.48 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.86 2h5m s ALA 22 CO 0.03 -0.75 1.29 -0.07 0.00 0.00 0.00 175.76 176.26 2h5m h LEU 23 N 5.94 0.81 -7.10 0.00 3.38 -1.46 -3.47 115.31 113.41 2h5m h LEU 23 Ca -0.44 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 56.84 2h5m h LEU 23 Cb 1.21 -0.24 -0.20 0.00 0.09 0.00 0.00 40.66 41.53 2h5m h LEU 23 CO 0.84 1.29 0.08 0.00 0.09 0.00 0.00 178.44 180.75 2h5m s ALA 24 N -3.79 -1.57 -0.02 1.53 0.00 -0.97 -1.58 121.76 115.36 2h5m s ALA 24 Ca -0.11 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 2h5m s ALA 24 Cb 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2h5m s ALA 24 CO 0.87 -0.34 0.35 -1.83 0.00 0.00 0.00 175.76 174.81 2h5m s GLU 25 N -0.91 0.69 -0.05 0.00 -1.05 0.11 -0.66 118.70 116.83 2h5m s GLU 25 Ca -0.09 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 2h5m s GLU 25 Cb -0.02 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 2h5m s GLU 25 CO 0.07 -0.19 -0.02 -1.50 0.95 0.00 0.00 175.26 174.58 2h5m s ILE 26 N -1.22 0.37 -0.03 1.83 2.07 0.28 -1.33 121.20 123.17 2h5m s ILE 26 Ca -0.13 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2h5m s ILE 26 Cb -0.05 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 2h5m s ILE 26 CO 0.05 0.21 -0.03 0.42 -1.91 0.00 0.00 174.94 173.67 2h5m s THR 27 N 1.24 3.96 0.05 4.00 -4.23 -0.99 -1.52 115.64 118.15 2h5m s THR 27 Ca -0.06 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 2h5m s THR 27 Cb -0.13 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2h5m s THR 27 CO -0.02 0.47 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.72 2h5m s TYR 28 N -0.97 0.78 0.04 3.99 -0.85 -1.14 -0.63 117.35 118.57 2h5m s TYR 28 Ca 0.16 -0.53 -0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2h5m s TYR 28 Cb -0.11 -0.46 -0.03 0.00 0.38 0.00 0.00 41.96 41.74 2h5m s TYR 28 CO 0.06 -0.07 -0.03 0.50 -1.52 0.00 0.00 175.55 174.49 2h5m s ARG 29 N -1.82 0.51 -0.53 -3.49 6.06 0.32 -4.72 118.95 115.29 2h5m s ARG 29 Ca -0.07 -0.99 -0.23 0.00 -2.50 0.00 0.00 55.73 51.94 2h5m s ARG 29 Cb -0.09 0.15 0.04 0.00 0.06 0.00 0.00 34.95 35.12 2h5m s ARG 29 CO 0.00 -0.08 0.84 -0.06 -2.50 0.00 0.00 175.30 173.50 2h5m s PHE 30 N -2.97 2.89 -0.16 5.12 0.40 -1.26 -0.46 117.98 121.54 2h5m s PHE 30 Ca -0.01 -0.13 0.15 0.00 -0.60 0.00 0.00 56.93 56.34 2h5m s PHE 30 Cb 0.01 -3.87 0.04 0.00 0.51 0.00 0.00 43.02 39.70 2h5m s PHE 30 CO -0.06 -1.22 1.35 -0.39 0.70 0.00 0.00 175.22 175.60 2h5m h VAL 31 N 5.97 0.78 0.00 -0.44 -1.51 -1.85 -3.46 116.25 115.75 2h5m h VAL 31 Ca -0.26 -2.15 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 2h5m h VAL 31 Cb 1.08 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 2h5m h VAL 31 CO 1.04 0.45 0.00 -0.67 -1.23 0.00 0.00 177.57 177.15 2h5m n ASP 32 N -3.16 0.00 0.00 4.19 2.03 -1.22 -5.06 116.55 113.33 2h5m n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h5m n ASP 32 Cb 0.74 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 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 0.00 0.00 -1.14 1.67 2.85 -1.26 -4.87 115.26 112.51 2h5m n ASN 33 Ca 0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 2h5m n ASN 33 Cb 0.00 0.23 0.28 0.00 1.24 0.00 0.00 39.78 41.53 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 -2.47 4.17 -3.92 1.20 5.15 -1.26 -4.91 115.26 113.21 2h5m n ASN 34 Ca 0.00 -2.70 -0.24 0.00 -0.60 0.00 0.00 54.58 51.05 2h5m n ASN 34 Cb 0.00 -0.51 -0.17 0.00 -0.53 0.00 0.00 39.78 38.57 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 -2.27 1.25 -0.02 1.20 2.02 -1.26 -0.42 118.70 119.19 2h5m s GLU 35 Ca 0.42 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 55.27 2h5m s GLU 35 Cb 0.31 -1.22 -0.02 0.00 0.10 0.00 0.00 34.13 33.30 2h5m s GLU 35 CO 0.14 -0.12 -0.23 0.96 0.02 0.00 0.00 175.26 176.03 2h5m s ILE 36 N 1.16 1.84 -0.02 -1.63 -4.36 -0.50 -2.46 121.20 115.23 2h5m s ILE 36 Ca -0.06 -0.99 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 2h5m s ILE 36 Cb -0.14 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 2h5m s ILE 36 CO -0.02 0.52 -0.09 0.54 0.24 0.00 0.00 174.94 176.13 2h5m s ASN 37 N -0.47 4.43 -0.55 4.36 4.22 0.40 -2.09 114.94 125.24 2h5m s ASN 37 Ca 0.07 -0.15 -0.24 0.00 -2.14 0.00 0.00 52.86 50.40 2h5m s ASN 37 Cb -0.10 -1.01 0.04 0.00 1.28 0.00 0.00 41.25 41.47 2h5m s ASN 37 CO -0.00 0.31 0.93 -0.63 -2.04 0.00 0.00 177.10 175.67 2h5m s ILE 38 N -0.89 4.40 0.00 0.54 1.01 0.11 -0.52 121.20 125.86 2h5m s ILE 38 Ca 0.14 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 2h5m s ILE 38 Cb -0.11 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.82 2h5m s ILE 38 CO 0.04 -1.11 1.01 0.44 0.00 0.00 0.00 174.94 175.33 2h5m h ASP 39 N 9.30 -0.03 -4.61 3.58 3.32 -1.20 0.22 116.42 127.00 2h5m h ASP 39 Ca -0.26 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.53 2h5m h ASP 39 Cb 1.07 0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.41 2h5m h ASP 39 CO 1.09 -0.02 -0.73 -1.38 -1.72 0.00 0.00 179.24 176.47 2h5m s HIS 40 N -3.08 0.50 -0.11 4.55 -3.43 -1.25 -3.91 115.29 108.57 2h5m s HIS 40 Ca -0.01 -0.41 0.03 0.00 -0.80 0.00 0.00 55.06 53.88 2h5m s HIS 40 Cb 0.00 -0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 30.84 2h5m s HIS 40 CO 0.02 -0.09 -0.22 0.99 -2.00 0.00 0.00 174.74 173.44 2h5m s THR 41 N -1.11 2.24 -0.24 -5.38 2.01 -1.26 -2.36 115.64 109.54 2h5m s THR 41 Ca -0.09 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 2h5m s THR 41 Cb -0.08 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.64 2h5m s THR 41 CO -0.00 0.55 0.12 -0.83 -0.69 0.00 0.00 174.62 173.77 2h5m s GLY 42 N 0.35 0.41 0.27 4.40 0.00 -0.44 -5.03 107.32 107.28 2h5m s GLY 42 Ca -0.17 -0.73 0.11 0.00 0.00 0.00 0.00 44.72 43.93 2h5m s GLY 42 CO 0.08 1.96 -0.14 0.14 0.00 0.00 0.00 173.10 175.14 2h5m s VAL 43 N 2.13 2.79 0.19 1.40 1.01 -1.26 0.08 120.40 126.73 2h5m s VAL 43 Ca 0.06 -2.21 -0.32 0.00 0.00 0.00 0.00 61.98 59.51 2h5m s VAL 43 Cb -0.16 -2.46 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 2h5m s VAL 43 CO -0.26 -0.37 1.71 -0.44 0.00 0.00 0.00 175.10 175.75 2h5m s SER 44 N -3.49 6.42 0.43 3.32 0.01 -0.61 -4.85 113.70 114.93 2h5m s SER 44 Ca 0.30 2.80 0.22 0.00 1.31 0.00 0.00 55.95 60.58 2h5m s SER 44 Cb -0.06 -2.59 0.92 0.00 0.21 0.00 0.00 66.02 64.50 2h5m s SER 44 CO 0.16 -0.95 1.84 -0.78 0.41 0.00 0.00 173.24 173.92 2h5m h ASP 45 N 7.03 0.00 0.00 2.44 3.58 -1.96 -0.64 116.42 126.87 2h5m h ASP 45 Ca -0.43 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.48 2h5m h ASP 45 Cb 1.20 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.27 2h5m h ASP 45 CO 0.95 0.26 3.11 -1.84 -2.88 0.00 0.00 179.24 178.84 2h5m n GLU 46 N -3.52 2.72 -1.30 0.28 0.00 -1.26 -4.33 120.64 113.23 2h5m n GLU 46 Ca -0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 57.16 55.18 2h5m n GLU 46 Cb 0.42 -2.69 -0.04 0.00 0.00 0.00 0.00 31.44 29.12 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 4.40 -0.46 0.19 -1.84 4.77 -1.26 -4.86 117.00 117.94 2h5m n LEU 47 Ca 0.59 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.86 2h5m n LEU 47 Cb 0.21 -2.28 0.36 0.00 -2.33 0.00 0.00 43.42 39.39 2h5m n LEU 47 CO 0.81 -0.84 0.71 1.23 -1.33 0.00 0.00 177.39 177.96 2h5m h GLY 48 N 0.00 0.00 0.27 -0.72 0.00 -1.31 -2.26 103.07 99.05 2h5m h GLY 48 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2h5m h GLY 48 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.46 2h5m n GLY 49 N -0.28 -0.94 0.09 4.60 0.00 -1.12 -0.50 105.19 107.04 2h5m n GLY 49 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2h5m n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h5m n GLN 50 N -0.64 0.65 0.03 1.61 1.13 -0.85 -4.38 117.38 114.93 2h5m n GLN 50 Ca 0.06 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2h5m n GLN 50 Cb 0.03 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.63 2h5m n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2h5m n GLY 51 N 1.64 -0.06 0.07 1.08 0.00 -1.17 -4.74 105.19 102.00 2h5m n GLY 51 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.92 -0.70 1.61 2.07 -1.54 0.85 116.25 119.46 2h5m h VAL 52 Ca 0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2h5m h VAL 52 Cb 0.14 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2h5m h VAL 52 CO 0.00 0.00 0.29 1.23 0.02 0.00 0.00 177.57 179.11 2h5m h GLY 53 N 0.02 1.12 2.00 2.17 0.00 -1.05 -1.98 103.07 105.36 2h5m h GLY 53 Ca 0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 2h5m h GLY 53 CO -0.08 0.57 -0.36 0.50 0.00 0.00 0.00 176.54 177.16 2h5m h LYS 54 N 1.00 0.00 -0.44 4.80 1.57 -1.70 -2.23 116.57 119.56 2h5m h LYS 54 Ca 0.24 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2h5m h LYS 54 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2h5m h LYS 54 CO -0.02 0.36 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.72 2h5m h LYS 55 N 0.00 0.96 -0.36 3.15 3.64 -0.19 -1.23 116.57 122.55 2h5m h LYS 55 Ca -0.00 -0.45 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 2h5m h LYS 55 Cb 0.72 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2h5m h LYS 55 CO 0.05 1.11 -0.04 -0.07 -2.27 0.00 0.00 179.45 178.23 2h5m h LEU 56 N 0.81 0.65 -1.13 5.20 3.38 -1.05 -2.10 115.31 121.07 2h5m h LEU 56 Ca 0.09 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2h5m h LEU 56 Cb 0.87 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2h5m h LEU 56 CO 0.08 0.83 0.37 0.25 0.09 0.00 0.00 178.44 180.06 2h5m h LEU 57 N 0.45 0.88 -0.77 1.67 5.85 -1.33 -2.20 115.31 119.86 2h5m h LEU 57 Ca 0.10 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2h5m h LEU 57 Cb 0.52 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2h5m h LEU 57 CO 0.03 0.72 0.42 0.50 -0.34 0.00 0.00 178.44 179.76 2h5m h LYS 58 N 0.98 1.08 -0.42 1.25 3.64 -0.95 -2.03 116.57 120.12 2h5m h LYS 58 Ca 0.25 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2h5m h LYS 58 Cb 0.04 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2h5m h LYS 58 CO -0.04 0.80 0.27 0.00 -2.27 0.00 0.00 179.45 178.21 2h5m h ALA 59 N 1.22 0.53 -0.25 5.00 0.00 -0.76 0.26 119.26 125.26 2h5m h ALA 59 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2h5m h ALA 59 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2h5m h ALA 59 CO -0.04 -0.04 0.13 0.28 0.00 0.00 0.00 179.25 179.58 2h5m h VAL 60 N 0.54 1.12 -0.29 0.00 2.07 -1.23 -2.35 116.25 116.11 2h5m h VAL 60 Ca 0.16 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2h5m h VAL 60 Cb -0.04 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2h5m h VAL 60 CO -0.05 0.12 -0.20 0.58 0.02 0.00 0.00 177.57 178.05 2h5m h VAL 61 N 0.29 1.25 0.17 2.57 2.07 -1.10 -1.62 116.25 119.87 2h5m h VAL 61 Ca 0.09 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.43 2h5m h VAL 61 Cb 0.08 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2h5m h VAL 61 CO -0.01 0.38 -0.20 -0.08 0.02 0.00 0.00 177.57 177.68 2h5m h GLU 62 N 0.47 -0.39 0.00 1.57 4.57 -0.17 0.13 114.58 120.77 2h5m h GLU 62 Ca 0.08 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2h5m h GLU 62 Cb 0.61 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2h5m h GLU 62 CO 0.04 -0.26 -0.23 1.25 -1.18 0.00 0.00 179.01 178.62 2h5m h HIS 63 N -0.41 0.00 0.00 0.92 2.76 -1.33 -1.48 115.15 115.62 2h5m h HIS 63 Ca 0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 2h5m h HIS 63 Cb 0.40 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2h5m h HIS 63 CO -0.17 0.23 -0.35 0.00 -1.30 0.00 0.00 177.93 176.35 2h5m h ALA 64 N 1.77 1.24 0.01 5.26 0.00 -0.32 -2.39 119.26 124.82 2h5m h ALA 64 Ca -0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2h5m h ALA 64 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2h5m h ALA 64 CO 0.03 0.44 -0.89 0.00 0.00 0.00 0.00 179.25 178.83 2h5m h ARG 65 N 0.00 0.18 0.10 0.00 2.47 0.07 0.21 114.38 117.40 2h5m h ARG 65 Ca -0.00 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2h5m h ARG 65 Cb 0.70 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2h5m h ARG 65 CO 0.05 0.95 -0.05 0.93 0.56 0.00 0.00 179.97 182.41 2h5m h GLU 66 N 0.09 -0.13 0.00 0.04 5.08 -1.16 -3.27 114.58 115.24 2h5m h GLU 66 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2h5m h GLU 66 Cb 1.53 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2h5m h GLU 66 CO 0.13 0.21 -0.67 0.09 -1.00 0.00 0.00 179.01 177.78 2h5m n ASN 67 N -4.99 0.62 -3.12 1.42 5.03 -0.94 -4.99 115.26 108.29 2h5m n ASN 67 Ca -0.08 -0.39 -0.09 0.00 0.87 0.00 0.00 54.58 54.89 2h5m n ASN 67 Cb 0.21 0.46 0.04 0.00 -1.02 0.00 0.00 39.78 39.48 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 -1.58 -6.91 -4.88 6.41 3.02 0.66 -5.03 115.26 106.95 2h5m n ASN 68 Ca 0.05 -0.46 -0.21 0.00 -0.03 0.00 0.00 54.58 53.93 2h5m n ASN 68 Cb 0.35 -5.10 -0.03 0.00 -0.61 0.00 0.00 39.78 34.39 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 -4.81 3.64 -0.04 3.41 1.43 -0.72 -5.04 118.68 116.55 2h5m s LEU 69 Ca 0.28 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 2h5m s LEU 69 Cb -0.04 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2h5m s LEU 69 CO 0.72 -0.41 0.55 -0.54 0.23 0.00 0.00 176.35 176.90 2h5m s LYS 70 N -4.05 4.29 -0.21 1.70 1.02 0.44 -4.67 119.74 118.25 2h5m s LYS 70 Ca 0.43 0.62 -0.05 0.00 0.02 0.00 0.00 55.97 56.99 2h5m s LYS 70 Cb -0.06 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 2h5m s LYS 70 CO 0.28 0.32 -0.01 0.42 -0.92 0.00 0.00 175.35 175.44 2h5m s ILE 71 N 0.02 3.76 0.04 2.17 -1.09 0.41 -1.41 121.20 125.10 2h5m s ILE 71 Ca 0.29 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.38 2h5m s ILE 71 Cb -0.17 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 2h5m s ILE 71 CO 0.15 0.41 -0.11 0.27 -1.23 0.00 0.00 174.94 174.43 2h5m s ILE 72 N 1.28 0.86 -0.02 2.92 -0.00 -0.89 -1.66 121.20 123.69 2h5m s ILE 72 Ca 0.04 -0.96 0.06 0.00 -0.00 0.00 0.00 60.65 59.79 2h5m s ILE 72 Cb -0.15 -0.82 -0.01 0.00 -0.00 0.00 0.00 42.46 41.48 2h5m s ILE 72 CO 0.00 -0.11 -0.19 0.00 -0.00 0.00 0.00 174.94 174.64 2h5m s ALA 73 N -0.95 1.61 -0.01 2.27 0.00 -1.26 0.05 121.76 123.47 2h5m s ALA 73 Ca -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2h5m s ALA 73 Cb -0.08 -0.44 -0.27 0.00 0.00 0.00 0.00 23.12 22.32 2h5m s ALA 73 CO 0.01 0.37 0.82 0.77 0.00 0.00 0.00 175.76 177.73 2h5m h SER 74 N 5.82 0.37 -3.26 0.00 0.02 -1.16 -3.44 113.55 111.91 2h5m h SER 74 Ca -0.36 -0.53 -0.53 0.00 -0.84 0.00 0.00 61.79 59.52 2h5m h SER 74 Cb 1.15 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2h5m h SER 74 CO 0.48 1.45 0.54 0.00 -1.14 0.00 0.00 176.83 178.16 2h5m h SER 76 N 6.55 0.67 0.62 0.00 0.02 -1.96 -0.18 113.55 119.27 2h5m h SER 76 Ca -0.42 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2h5m h SER 76 Cb 1.21 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.59 2h5m h SER 76 CO 0.79 0.50 -0.30 0.15 -1.14 0.00 0.00 176.83 176.84 2h5m h PHE 77 N 0.79 -0.77 -0.77 3.45 3.04 -1.98 -0.99 116.94 119.71 2h5m h PHE 77 Ca 0.21 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 2h5m h PHE 77 Cb -0.06 0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 2h5m h PHE 77 CO 0.00 -0.44 0.51 0.00 -2.02 0.00 0.00 178.31 176.36 2h5m h ALA 78 N -0.72 1.47 -0.66 2.41 0.00 -1.94 -0.25 119.26 119.58 2h5m h ALA 78 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2h5m h ALA 78 Cb 0.68 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2h5m h ALA 78 CO 0.14 0.49 0.42 -0.22 0.00 0.00 0.00 179.25 180.08 2h5m h LYS 79 N 1.02 0.83 0.00 0.00 3.11 -0.89 -1.92 116.57 118.71 2h5m h LYS 79 Ca 0.28 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.97 2h5m h LYS 79 Cb -0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 30.93 2h5m h LYS 79 CO -0.07 0.55 -0.49 1.25 -2.81 0.00 0.00 179.45 177.88 2h5m h HIS 80 N 0.85 0.00 -0.21 1.91 2.76 -0.35 -2.01 115.15 118.10 2h5m h HIS 80 Ca 0.25 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2h5m h HIS 80 Cb -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2h5m h HIS 80 CO -0.04 0.49 0.09 0.52 -1.30 0.00 0.00 177.93 177.69 2h5m h MET 81 N 0.00 0.32 -0.01 5.26 2.86 -0.31 -0.32 114.93 122.73 2h5m h MET 81 Ca -0.00 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 2h5m h MET 81 Cb 1.11 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2h5m h MET 81 CO 0.06 0.38 -0.67 -0.07 1.06 0.00 0.00 176.91 177.67 2h5m h LEU 82 N 0.19 0.08 -1.58 1.22 3.38 -1.43 -2.88 115.31 114.29 2h5m h LEU 82 Ca 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2h5m h LEU 82 Cb 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2h5m h LEU 82 CO -0.01 0.72 -0.11 -0.08 0.09 0.00 0.00 178.44 179.05 2h5m h GLU 83 N 0.05 0.00 0.00 1.13 4.81 -1.04 -2.54 114.58 116.98 2h5m h GLU 83 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2h5m h GLU 83 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2h5m h GLU 83 CO 0.09 0.11 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.24 2h5m h LYS 84 N 0.00 0.00 -5.04 1.92 3.11 -0.83 -3.43 116.57 112.30 2h5m h LYS 84 Ca -0.00 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 57.17 2h5m h LYS 84 Cb 0.51 0.00 -0.35 0.00 -1.00 0.00 0.00 32.23 31.39 2h5m h LYS 84 CO 0.01 0.00 -0.86 -2.00 -2.81 0.00 0.00 179.45 173.80 2h5m s GLU 85 N -3.12 2.92 0.39 1.90 2.56 -0.96 -4.98 118.70 117.42 2h5m s GLU 85 Ca 0.10 -0.86 0.10 0.00 0.00 0.00 0.00 54.97 54.30 2h5m s GLU 85 Cb 0.11 -2.59 0.80 0.00 2.00 0.00 0.00 34.13 34.46 2h5m s GLU 85 CO 0.61 -0.24 1.93 -0.44 -0.56 0.00 0.00 175.26 176.56 2h5m h ASP 86 N 7.93 0.22 -0.47 -1.70 5.19 -1.84 -2.22 116.42 123.52 2h5m h ASP 86 Ca -0.44 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 2h5m h ASP 86 Cb 1.13 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 2h5m h ASP 86 CO 0.62 0.37 0.19 0.28 -3.12 0.00 0.00 179.24 177.58 2h5m h SER 87 N 0.22 0.69 1.08 6.45 0.02 -1.93 -1.97 113.55 118.11 2h5m h SER 87 Ca 0.05 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2h5m h SER 87 Cb 0.36 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2h5m h SER 87 CO 0.02 0.63 -0.20 1.88 -1.14 0.00 0.00 176.83 178.02 2h5m h TYR 88 N 0.75 0.00 0.00 3.45 0.05 -1.66 -2.94 116.97 116.62 2h5m h TYR 88 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2h5m h TYR 88 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2h5m h TYR 88 CO 0.01 0.20 0.00 1.04 -1.05 0.00 0.00 178.16 178.36 2h5m n GLN 89 N -3.31 0.07 -0.18 4.88 6.02 -0.74 -0.32 117.38 123.80 2h5m n GLN 89 Ca 0.01 0.27 -0.08 0.00 -0.01 0.00 0.00 57.00 57.18 2h5m n GLN 89 Cb 0.45 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.22 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 0.71 0.00 1.08 3.32 -1.63 -3.34 116.42 116.57 2h5m h ASP 90 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 57.03 56.57 2h5m h ASP 90 Cb 0.12 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2h5m h ASP 90 CO 0.00 0.71 -2.09 1.33 -1.72 0.00 0.00 179.24 177.47 2h5m n VAL 91 N -4.52 1.10 -2.53 -1.35 0.24 -0.92 -4.96 118.33 105.38 2h5m n VAL 91 Ca 0.02 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 2h5m n VAL 91 Cb 0.18 -1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 31.49 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 -2.38 3.61 -1.21 6.34 5.04 0.56 -0.45 117.35 128.86 2h5m s TYR 92 Ca -0.21 1.61 -0.20 0.00 -2.44 0.00 0.00 57.07 55.83 2h5m s TYR 92 Cb 0.06 -3.26 0.02 0.00 0.35 0.00 0.00 41.96 39.13 2h5m s TYR 92 CO 0.50 -0.56 1.76 -0.51 -1.34 0.00 0.00 175.55 175.40 2h5m s LEU 93 N -0.30 3.56 0.00 6.97 1.43 -0.66 -4.34 118.68 125.33 2h5m s LEU 93 Ca 0.49 -2.02 0.23 0.00 -1.03 0.00 0.00 54.13 51.80 2h5m s LEU 93 Cb -0.29 -2.58 0.37 0.00 0.03 0.00 0.00 46.19 43.72 2h5m s LEU 93 CO 0.34 -1.79 1.36 0.61 0.23 0.00 0.00 176.35 177.10 2h5m n GLY 94 N 5.78 1.58 0.32 -3.19 0.00 -1.26 -4.36 105.19 104.05 2h5m n GLY 94 Ca 0.45 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 4.41 0.74 -8.50 0.99 -0.00 -1.90 -3.37 115.31 107.68 2h5m h LEU 95 Ca 0.00 -0.06 -0.59 0.00 -0.00 0.00 0.00 57.88 57.23 2h5m h LEU 95 Cb 0.97 -0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 2h5m h LEU 95 CO 0.00 0.62 0.73 -1.61 -0.00 0.00 0.00 178.44 178.17 2h5m s GLU 96 N -5.52 3.37 -0.12 0.17 0.41 -1.26 -4.82 118.70 110.92 2h5m s GLU 96 Ca -0.10 -0.14 0.18 0.00 -0.41 0.00 0.00 54.97 54.51 2h5m s GLU 96 Cb 0.17 -4.06 0.43 0.00 -1.78 0.00 0.00 34.13 28.89 2h5m s GLU 96 CO 0.78 -1.61 1.19 -2.39 -0.49 0.00 0.00 175.26 172.74 2h5m n HIS 97 N 7.91 0.20 -2.04 1.61 1.44 -1.26 -5.06 115.22 118.02 2h5m n HIS 97 Ca 0.04 -1.12 -0.43 0.00 -2.01 0.00 0.00 57.72 54.20 2h5m n HIS 97 Cb 0.48 -0.21 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.83 1.99 -0.08 -1.40 5.04 -1.26 -4.17 115.29 113.58 2h5m s HIS 98 Ca 0.36 0.38 -0.02 0.00 -1.54 0.00 0.00 55.06 54.25 2h5m s HIS 98 Cb 0.38 -3.95 0.01 0.00 0.04 0.00 0.00 32.58 29.06 2h5m s HIS 98 CO -0.11 -3.42 0.04 1.58 -2.34 0.00 0.00 174.74 170.49 2h5m n HIS 99 N 8.04 -1.36 -3.41 3.88 -0.00 -1.26 -5.03 115.22 116.09 2h5m n HIS 99 Ca 0.19 0.70 -0.26 0.00 -0.00 0.00 0.00 57.72 58.34 2h5m n HIS 99 Cb 0.44 -2.29 -0.08 0.00 -0.00 0.00 0.00 29.99 28.05 2h5m n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2h5m n HIS 100 N 0.38 1.80 -3.63 1.57 -0.00 -1.26 -4.99 115.22 109.09 2h5m n HIS 100 Ca -0.07 -3.89 -0.31 0.00 0.46 0.00 0.00 57.72 53.91 2h5m n HIS 100 Cb 0.10 -0.41 -0.08 0.00 -0.12 0.00 0.00 29.99 29.47 2h5m n HIS 100 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2h5m n HIS 101 N 1.39 3.58 -1.38 1.57 -0.00 -1.26 -5.26 115.22 113.87 2h5m n HIS 101 Ca 0.26 -4.10 0.00 0.00 0.46 0.00 0.00 57.72 54.34 2h5m n HIS 101 Cb 0.45 -0.79 0.00 0.00 -0.12 0.00 0.00 29.99 29.52 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38