#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 3.96 -3.23 7.83 7.64 -1.26 -4.87 113.62 123.70 2h5m n SER 2 Ca 0.00 -2.82 -0.18 0.00 1.01 0.00 0.00 58.87 56.88 2h5m n SER 2 Cb 0.00 -1.64 -0.05 0.00 -1.01 0.00 0.00 64.21 61.52 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 8.97 1.63 -3.23 6.43 2.85 -1.26 -4.83 115.26 125.82 2h5m n ASN 3 Ca 0.49 -2.42 -0.23 0.00 -0.11 0.00 0.00 54.58 52.31 2h5m n ASN 3 Cb 0.44 0.55 0.04 0.00 1.24 0.00 0.00 39.78 42.05 2h5m n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2h5m n LEU 4 N 0.00 -2.77 -4.95 1.20 7.94 -1.26 -4.98 117.00 112.18 2h5m n LEU 4 Ca -0.07 -0.38 -0.23 0.00 -1.11 0.00 0.00 56.01 54.22 2h5m n LEU 4 Cb 0.40 -2.91 0.04 0.00 0.53 0.00 0.00 43.42 41.48 2h5m n LEU 4 CO 0.21 0.34 0.44 -1.61 -1.11 0.00 0.00 177.39 175.67 2h5m s GLU 5 N -5.93 2.56 -0.61 1.96 2.02 -1.26 -4.99 118.70 112.45 2h5m s GLU 5 Ca 0.40 -0.50 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 2h5m s GLU 5 Cb -0.18 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 2h5m s GLU 5 CO 0.49 -0.80 1.67 0.42 0.02 0.00 0.00 175.26 177.06 2h5m s ILE 6 N -2.90 3.51 -0.25 -1.63 1.01 -1.26 -4.61 121.20 115.06 2h5m s ILE 6 Ca 0.56 0.34 -0.23 0.00 0.00 0.00 0.00 60.65 61.32 2h5m s ILE 6 Cb -0.10 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 2h5m s ILE 6 CO 0.41 -1.11 0.75 -0.54 0.00 0.00 0.00 174.94 174.45 2h5m s LYS 7 N 6.44 4.16 0.56 2.79 1.02 0.13 -4.91 119.74 129.93 2h5m s LYS 7 Ca 0.59 0.79 -0.19 0.00 0.02 0.00 0.00 55.97 57.19 2h5m s LYS 7 Cb -0.12 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 2h5m s LYS 7 CO 0.21 -0.48 1.14 1.14 -0.92 0.00 0.00 175.35 176.44 2h5m s GLN 8 N 2.72 3.23 0.11 1.68 -2.07 -1.26 -0.56 119.66 123.50 2h5m s GLN 8 Ca 0.32 1.64 0.00 0.00 -1.82 0.00 0.00 55.36 55.49 2h5m s GLN 8 Cb -0.15 -1.98 0.00 0.00 -1.09 0.00 0.00 33.01 29.78 2h5m s GLN 8 CO 0.08 -0.96 0.14 0.41 -1.32 0.00 0.00 175.29 173.64 2h5m n GLY 9 N 0.18 3.00 3.55 2.60 0.00 0.48 -4.83 105.19 110.17 2h5m n GLY 9 Ca 0.12 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.28 2.44 -1.66 1.61 -1.05 -1.26 -2.91 118.70 113.60 2h5m s GLU 10 Ca 0.10 0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 55.42 2h5m s GLU 10 Cb -0.00 -4.61 0.00 0.00 -0.44 0.00 0.00 34.13 29.08 2h5m s GLU 10 CO 0.07 -3.10 0.27 0.09 0.95 0.00 0.00 175.26 173.54 2h5m n ASN 11 N 14.01 -5.96 -3.49 0.83 4.13 -1.26 -4.94 115.26 118.58 2h5m n ASN 11 Ca 0.30 -0.14 -0.07 0.00 1.68 0.00 0.00 54.58 56.35 2h5m n ASN 11 Cb 0.51 -4.88 -0.00 0.00 -1.54 0.00 0.00 39.78 33.87 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2h5m s LYS 12 N -5.32 1.79 -0.05 3.52 -2.85 -1.14 -2.44 119.74 113.24 2h5m s LYS 12 Ca 0.13 -1.06 0.01 0.00 -1.00 0.00 0.00 55.97 54.05 2h5m s LYS 12 Cb -0.06 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.29 2h5m s LYS 12 CO 0.17 -0.83 -0.07 -0.06 0.10 0.00 0.00 175.35 174.66 2h5m s PHE 13 N -3.12 0.91 0.08 1.78 0.08 -0.51 -0.39 117.98 116.82 2h5m s PHE 13 Ca 0.14 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2h5m s PHE 13 Cb -0.05 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2h5m s PHE 13 CO 0.07 -0.20 -0.05 1.52 -0.10 0.00 0.00 175.22 176.46 2h5m s TYR 14 N 0.77 0.77 -0.10 0.36 1.13 0.28 -0.55 117.35 120.01 2h5m s TYR 14 Ca -0.12 -0.96 -0.00 0.00 -1.41 0.00 0.00 57.07 54.58 2h5m s TYR 14 Cb -0.14 -0.47 0.02 0.00 -1.10 0.00 0.00 41.96 40.27 2h5m s TYR 14 CO 0.01 -0.22 -0.06 0.42 -2.51 0.00 0.00 175.55 173.19 2h5m s ILE 15 N -3.69 0.87 0.00 -3.49 1.01 0.86 -0.69 121.20 116.07 2h5m s ILE 15 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2h5m s ILE 15 Cb 0.06 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2h5m s ILE 15 CO -0.06 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2h5m n GLY 16 N 4.89 0.36 0.32 6.18 0.00 -1.26 -0.82 105.19 114.86 2h5m n GLY 16 Ca -0.12 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.63 -4.66 1.61 3.58 -1.97 -3.47 116.42 110.87 2h5m h ASP 17 Ca 0.00 -0.04 -0.29 0.00 0.42 0.00 0.00 57.03 57.12 2h5m h ASP 17 Cb 0.00 0.16 -0.15 0.00 1.72 0.00 0.00 39.33 41.07 2h5m h ASP 17 CO 0.00 -0.27 -0.65 -0.62 -2.88 0.00 0.00 179.24 174.82 2h5m s ASP 18 N -4.69 1.05 0.50 2.28 2.15 -1.25 -5.03 116.67 111.68 2h5m s ASP 18 Ca -0.14 -1.25 0.27 0.00 0.43 0.00 0.00 52.55 51.86 2h5m s ASP 18 Cb 0.02 0.16 1.27 0.00 -0.30 0.00 0.00 42.92 44.07 2h5m s ASP 18 CO 0.47 -0.64 1.98 -0.33 -0.17 0.00 0.00 175.17 176.48 2h5m h GLU 19 N 2.62 0.00 0.00 4.34 5.08 -1.99 -1.48 114.58 123.16 2h5m h GLU 19 Ca -0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2h5m h GLU 19 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2h5m h GLU 19 CO 0.61 0.15 -0.17 -0.97 -1.00 0.00 0.00 179.01 177.63 2h5m h ASN 20 N 0.00 0.00 -2.04 1.42 -0.73 -2.01 -3.33 115.58 108.89 2h5m h ASN 20 Ca -0.00 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.65 2h5m h ASN 20 Cb 0.50 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 38.69 2h5m h ASN 20 CO 0.02 0.17 -1.09 -3.20 -0.37 0.00 0.00 177.43 172.96 2h5m n ASN 21 N -3.21 1.13 -4.88 1.15 2.85 -0.63 -5.10 115.26 106.58 2h5m n ASN 21 Ca 0.02 -3.00 -0.35 0.00 -0.11 0.00 0.00 54.58 51.14 2h5m n ASN 21 Cb 0.50 -0.62 -0.05 0.00 1.24 0.00 0.00 39.78 40.84 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 -2.17 3.79 -0.20 5.20 0.00 -0.78 -3.63 121.76 123.96 2h5m s ALA 22 Ca 0.39 -0.48 0.19 0.00 0.00 0.00 0.00 51.96 52.07 2h5m s ALA 22 Cb 0.28 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2h5m s ALA 22 CO -0.09 0.61 1.08 -0.07 0.00 0.00 0.00 175.76 177.29 2h5m h LEU 23 N 3.82 0.00 -7.00 0.00 3.38 -1.30 -3.45 115.31 110.76 2h5m h LEU 23 Ca -0.49 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.57 2h5m h LEU 23 Cb 1.19 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.69 2h5m h LEU 23 CO 0.66 0.30 0.56 0.00 0.09 0.00 0.00 178.44 180.05 2h5m s ALA 24 N -3.12 -1.98 -0.23 1.53 0.00 -1.06 0.05 121.76 116.95 2h5m s ALA 24 Ca 0.00 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 2h5m s ALA 24 Cb 0.08 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.18 2h5m s ALA 24 CO 0.78 -0.26 0.61 -1.83 0.00 0.00 0.00 175.76 175.06 2h5m s GLU 25 N -0.54 0.69 -0.07 0.00 -1.05 0.27 -0.10 118.70 117.90 2h5m s GLU 25 Ca 0.01 0.92 0.04 0.00 -0.15 0.00 0.00 54.97 55.79 2h5m s GLU 25 Cb -0.02 0.28 -0.00 0.00 -0.44 0.00 0.00 34.13 33.94 2h5m s GLU 25 CO -0.03 -0.10 -0.21 -1.50 0.95 0.00 0.00 175.26 174.37 2h5m s ILE 26 N 0.66 1.76 -0.02 1.83 2.07 0.29 -1.30 121.20 126.48 2h5m s ILE 26 Ca -0.03 -0.87 0.04 0.00 -1.41 0.00 0.00 60.65 58.38 2h5m s ILE 26 Cb -0.05 -1.52 -0.03 0.00 0.13 0.00 0.00 42.46 40.99 2h5m s ILE 26 CO -0.04 0.49 -0.13 0.42 -1.91 0.00 0.00 174.94 173.77 2h5m s THR 27 N 0.22 3.18 0.05 4.00 -4.23 -0.64 -1.42 115.64 116.80 2h5m s THR 27 Ca -0.11 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2h5m s THR 27 Cb -0.15 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 2h5m s THR 27 CO 0.05 0.51 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.81 2h5m s TYR 28 N -0.83 0.92 0.09 3.99 1.13 -1.02 -0.46 117.35 121.17 2h5m s TYR 28 Ca 0.13 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.34 2h5m s TYR 28 Cb -0.11 -0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 40.18 2h5m s TYR 28 CO 0.03 -0.02 -0.06 0.50 -2.51 0.00 0.00 175.55 173.49 2h5m s ARG 29 N -1.58 0.79 -0.43 -3.49 6.06 0.12 -4.73 118.95 115.70 2h5m s ARG 29 Ca -0.06 -1.30 -0.17 0.00 -2.50 0.00 0.00 55.73 51.71 2h5m s ARG 29 Cb -0.10 -0.14 0.03 0.00 0.06 0.00 0.00 34.95 34.80 2h5m s ARG 29 CO 0.01 -0.03 0.43 -0.06 -2.50 0.00 0.00 175.30 173.15 2h5m s PHE 30 N -3.60 3.18 0.14 5.12 0.40 -1.26 -0.18 117.98 121.77 2h5m s PHE 30 Ca 0.10 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 2h5m s PHE 30 Cb 0.05 -2.93 -0.11 0.00 0.51 0.00 0.00 43.02 40.55 2h5m s PHE 30 CO -0.05 -0.72 1.31 -0.39 0.70 0.00 0.00 175.22 176.07 2h5m h VAL 31 N 5.73 1.56 0.00 -0.44 -1.51 -1.86 -3.46 116.25 116.27 2h5m h VAL 31 Ca -0.27 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.27 2h5m h VAL 31 Cb 1.11 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 2h5m h VAL 31 CO 0.81 0.85 0.00 -0.67 -1.23 0.00 0.00 177.57 177.33 2h5m n ASP 32 N -3.55 0.00 0.16 4.19 2.03 -1.25 -5.07 116.55 113.06 2h5m n ASP 32 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2h5m n ASP 32 Cb 0.88 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.60 -2.20 -1.60 1.67 2.85 -1.26 -4.91 115.26 109.22 2h5m n ASN 33 Ca 0.00 0.60 0.08 0.00 -0.11 0.00 0.00 54.58 55.16 2h5m n ASN 33 Cb 0.00 2.18 0.36 0.00 1.24 0.00 0.00 39.78 43.56 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 -3.26 5.00 -4.01 1.20 5.15 -1.26 -4.88 115.26 113.20 2h5m n ASN 34 Ca 0.00 -2.69 -0.26 0.00 -0.60 0.00 0.00 54.58 51.02 2h5m n ASN 34 Cb 0.00 -0.61 -0.17 0.00 -0.53 0.00 0.00 39.78 38.48 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 -2.30 1.83 -0.06 1.20 2.02 -1.26 -0.72 118.70 119.41 2h5m s GLU 35 Ca 0.51 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 55.13 2h5m s GLU 35 Cb 0.36 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 2h5m s GLU 35 CO 0.19 -0.06 -0.24 0.96 0.02 0.00 0.00 175.26 176.12 2h5m s ILE 36 N 0.99 2.00 -0.04 -1.63 -4.36 -0.28 -2.49 121.20 115.39 2h5m s ILE 36 Ca -0.08 -1.03 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 2h5m s ILE 36 Cb -0.15 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 2h5m s ILE 36 CO -0.01 0.56 -0.13 0.54 0.24 0.00 0.00 174.94 176.14 2h5m s ASN 37 N -0.12 4.18 -0.39 4.36 4.22 0.74 -2.24 114.94 125.68 2h5m s ASN 37 Ca -0.04 -0.18 -0.26 0.00 -2.14 0.00 0.00 52.86 50.24 2h5m s ASN 37 Cb -0.14 -0.91 0.02 0.00 1.28 0.00 0.00 41.25 41.50 2h5m s ASN 37 CO 0.04 0.34 0.95 -0.63 -2.04 0.00 0.00 177.10 175.76 2h5m s ILE 38 N -0.79 4.53 0.03 0.54 1.01 0.99 0.15 121.20 127.66 2h5m s ILE 38 Ca 0.12 1.15 -0.28 0.00 0.00 0.00 0.00 60.65 61.64 2h5m s ILE 38 Cb -0.11 -4.38 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 2h5m s ILE 38 CO 0.02 -0.63 1.33 0.44 0.00 0.00 0.00 174.94 176.09 2h5m h ASP 39 N 8.63 -0.61 -5.04 3.58 3.32 -1.10 -0.36 116.42 124.83 2h5m h ASP 39 Ca -0.23 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 2h5m h ASP 39 Cb 1.08 0.16 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 2h5m h ASP 39 CO 1.01 -0.29 0.06 -1.38 -1.72 0.00 0.00 179.24 176.91 2h5m s HIS 40 N -5.12 -0.35 -0.33 4.55 -3.43 -1.24 -4.06 115.29 105.30 2h5m s HIS 40 Ca -0.15 0.07 -0.01 0.00 -0.80 0.00 0.00 55.06 54.17 2h5m s HIS 40 Cb 0.02 0.40 0.11 0.00 -1.43 0.00 0.00 32.58 31.69 2h5m s HIS 40 CO 0.53 -0.78 0.14 0.99 -2.00 0.00 0.00 174.74 173.63 2h5m s THR 41 N -3.78 0.67 -0.31 -5.38 2.01 -1.26 -1.62 115.64 105.97 2h5m s THR 41 Ca 0.02 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.41 2h5m s THR 41 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 2h5m s THR 41 CO -0.12 -0.77 0.17 -0.83 -0.69 0.00 0.00 174.62 172.38 2h5m s GLY 42 N 1.42 1.88 -0.03 4.40 0.00 -0.42 -4.97 107.32 109.60 2h5m s GLY 42 Ca 0.12 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.54 2h5m s GLY 42 CO -0.19 0.70 -0.16 0.14 0.00 0.00 0.00 173.10 173.58 2h5m s VAL 43 N 1.65 1.34 -0.86 1.40 1.01 -1.26 -0.56 120.40 123.11 2h5m s VAL 43 Ca 0.05 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 2h5m s VAL 43 Cb -0.17 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.10 2h5m s VAL 43 CO 0.07 0.39 1.40 -0.44 0.00 0.00 0.00 175.10 176.52 2h5m s SER 44 N -0.09 6.23 0.50 3.32 0.01 0.11 -4.80 113.70 118.98 2h5m s SER 44 Ca -0.00 -0.85 0.28 0.00 1.31 0.00 0.00 55.95 56.69 2h5m s SER 44 Cb -0.10 -2.56 0.87 0.00 0.21 0.00 0.00 66.02 64.44 2h5m s SER 44 CO 0.01 -1.75 1.80 -0.78 0.41 0.00 0.00 173.24 172.93 2h5m h ASP 45 N 10.17 0.00 0.00 2.44 3.58 -1.87 0.11 116.42 130.85 2h5m h ASP 45 Ca -0.06 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.73 2h5m h ASP 45 Cb 1.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2h5m h ASP 45 CO 1.34 0.01 3.17 -0.62 -2.88 0.00 0.00 179.24 180.25 2h5m n GLU 46 N -3.10 2.82 -3.14 0.28 -0.58 -1.26 -4.39 120.64 111.27 2h5m n GLU 46 Ca 0.02 -2.27 -0.23 0.00 -0.42 0.00 0.00 57.16 54.26 2h5m n GLU 46 Cb 0.42 -3.02 0.02 0.00 -0.57 0.00 0.00 31.44 28.28 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 5.43 -2.21 -0.01 -4.62 4.77 -1.26 -4.88 117.00 114.21 2h5m n LEU 47 Ca 0.58 -0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 2h5m n LEU 47 Cb 0.32 -2.63 -0.01 0.00 -2.33 0.00 0.00 43.42 38.78 2h5m n LEU 47 CO 0.89 0.20 -0.13 0.61 -1.33 0.00 0.00 177.39 177.63 2h5m n GLY 48 N -1.37 -0.35 2.75 -0.72 0.00 -0.98 -4.97 105.19 99.55 2h5m n GLY 48 Ca -0.08 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2h5m n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h5m s GLY 49 N -3.44 1.25 -0.23 -0.02 0.00 0.36 -4.98 107.32 100.27 2h5m s GLY 49 Ca -0.06 -1.91 -0.12 0.00 0.00 0.00 0.00 44.72 42.64 2h5m s GLY 49 CO 0.08 1.55 0.21 1.20 0.00 0.00 0.00 173.10 176.14 2h5m s GLN 50 N 1.33 4.11 0.00 2.90 1.11 -1.26 -4.25 119.66 123.60 2h5m s GLN 50 Ca 0.11 -0.16 0.00 0.00 0.01 0.00 0.00 55.36 55.32 2h5m s GLN 50 Cb -0.19 -3.52 0.00 0.00 -1.01 0.00 0.00 33.01 28.29 2h5m s GLN 50 CO -0.19 0.07 0.00 0.41 0.01 0.00 0.00 175.29 175.59 2h5m n GLY 51 N 4.11 3.01 0.29 3.09 0.00 -1.26 -4.86 105.19 109.57 2h5m n GLY 51 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2h5m n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2h5m h VAL 52 N 0.00 0.58 -0.86 1.61 -1.51 -1.99 -1.97 116.25 112.11 2h5m h VAL 52 Ca 0.00 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2h5m h VAL 52 Cb 0.00 1.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.18 2h5m h VAL 52 CO 0.00 0.02 0.51 1.23 -1.23 0.00 0.00 177.57 178.10 2h5m h GLY 53 N 0.14 1.26 1.45 5.19 0.00 -1.89 0.48 103.07 109.71 2h5m h GLY 53 Ca -0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 47.33 46.56 2h5m h GLY 53 CO 0.00 0.51 -0.95 0.50 0.00 0.00 0.00 176.54 176.60 2h5m h LYS 54 N 1.19 0.49 -0.43 4.80 1.57 -1.78 -2.69 116.57 119.72 2h5m h LYS 54 Ca 0.31 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2h5m h LYS 54 Cb -0.03 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2h5m h LYS 54 CO -0.06 1.16 0.18 -0.22 -0.57 0.00 0.00 179.45 179.95 2h5m h LYS 55 N 0.28 0.63 -0.32 3.15 3.64 -1.21 -0.34 116.57 122.40 2h5m h LYS 55 Ca -0.09 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 2h5m h LYS 55 Cb 1.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2h5m h LYS 55 CO 0.17 0.57 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.80 2h5m h LEU 56 N 0.55 0.61 -1.07 5.20 3.38 -0.96 -2.00 115.31 121.01 2h5m h LEU 56 Ca 0.14 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2h5m h LEU 56 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2h5m h LEU 56 CO -0.01 0.81 0.26 0.25 0.09 0.00 0.00 178.44 179.84 2h5m h LEU 57 N 0.39 0.84 -1.10 1.67 5.85 -1.38 -2.06 115.31 119.52 2h5m h LEU 57 Ca 0.08 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2h5m h LEU 57 Cb 0.54 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2h5m h LEU 57 CO 0.03 0.75 0.11 0.50 -0.34 0.00 0.00 178.44 179.48 2h5m h LYS 58 N 0.91 0.75 -0.69 1.25 3.64 -0.83 -0.55 116.57 121.04 2h5m h LYS 58 Ca 0.21 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2h5m h LYS 58 Cb 0.17 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2h5m h LYS 58 CO -0.02 0.69 0.46 0.00 -2.27 0.00 0.00 179.45 178.30 2h5m h ALA 59 N 1.40 0.89 -0.08 5.00 0.00 -0.64 0.41 119.26 126.23 2h5m h ALA 59 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2h5m h ALA 59 Cb 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2h5m h ALA 59 CO -0.00 0.29 -0.08 0.28 0.00 0.00 0.00 179.25 179.73 2h5m h VAL 60 N 0.93 1.37 -0.67 0.00 2.07 -1.26 -2.36 116.25 116.33 2h5m h VAL 60 Ca 0.26 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2h5m h VAL 60 Cb -0.09 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2h5m h VAL 60 CO -0.06 0.35 0.38 0.58 0.02 0.00 0.00 177.57 178.84 2h5m h VAL 61 N -0.23 1.20 -0.27 2.57 2.07 -0.86 0.55 116.25 121.27 2h5m h VAL 61 Ca 0.01 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2h5m h VAL 61 Cb 0.60 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2h5m h VAL 61 CO 0.02 0.22 0.16 -0.08 0.02 0.00 0.00 177.57 177.90 2h5m h GLU 62 N 0.91 0.38 -0.25 1.57 4.81 -0.21 0.75 114.58 122.54 2h5m h GLU 62 Ca 0.24 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2h5m h GLU 62 Cb 0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2h5m h GLU 62 CO -0.04 0.32 -0.02 1.25 -0.73 0.00 0.00 179.01 179.78 2h5m h HIS 63 N 0.34 0.38 -0.28 0.92 2.76 -1.10 -1.32 115.15 116.85 2h5m h HIS 63 Ca 0.10 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 2h5m h HIS 63 Cb 0.04 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2h5m h HIS 63 CO -0.04 0.41 -0.31 0.00 -1.30 0.00 0.00 177.93 176.69 2h5m h ALA 64 N 1.62 0.93 -0.53 5.26 0.00 -0.12 -1.92 119.26 124.50 2h5m h ALA 64 Ca 0.08 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2h5m h ALA 64 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2h5m h ALA 64 CO 0.01 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 2h5m h ARG 65 N 0.51 0.95 0.56 0.00 3.08 0.18 0.47 114.38 120.13 2h5m h ARG 65 Ca 0.06 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 2h5m h ARG 65 Cb 0.79 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.77 2h5m h ARG 65 CO 0.06 0.98 -0.27 0.93 -1.07 0.00 0.00 179.97 180.61 2h5m h GLU 66 N 0.82 -0.73 -0.00 0.04 5.08 -1.07 -2.88 114.58 115.84 2h5m h GLU 66 Ca 0.14 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2h5m h GLU 66 Cb 0.58 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2h5m h GLU 66 CO 0.03 -0.46 -0.03 0.09 -1.00 0.00 0.00 179.01 177.64 2h5m n ASN 67 N -5.40 0.40 -3.60 1.42 5.03 -0.74 -4.91 115.26 107.47 2h5m n ASN 67 Ca -0.12 -0.91 -0.24 0.00 0.87 0.00 0.00 54.58 54.17 2h5m n ASN 67 Cb 0.32 -0.05 0.07 0.00 -1.02 0.00 0.00 39.78 39.11 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 -0.79 -6.27 -4.89 6.41 3.02 0.12 -4.98 115.26 107.89 2h5m n ASN 68 Ca 0.20 -0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 53.91 2h5m n ASN 68 Cb 0.21 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.44 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 -7.29 3.42 0.01 3.41 1.43 0.10 -5.00 118.68 114.77 2h5m s LEU 69 Ca 0.58 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.70 2h5m s LEU 69 Cb -0.26 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 2h5m s LEU 69 CO 0.72 -0.73 0.46 -0.54 0.23 0.00 0.00 176.35 176.49 2h5m s LYS 70 N -4.97 4.05 -0.16 1.70 1.02 0.10 -4.75 119.74 116.74 2h5m s LYS 70 Ca 0.51 0.51 -0.05 0.00 0.02 0.00 0.00 55.97 56.97 2h5m s LYS 70 Cb -0.11 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2h5m s LYS 70 CO 0.50 0.62 -0.01 0.42 -0.92 0.00 0.00 175.35 175.95 2h5m s ILE 71 N -0.89 4.14 0.06 2.17 -1.09 0.19 -1.13 121.20 124.64 2h5m s ILE 71 Ca 0.25 -0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 2h5m s ILE 71 Cb -0.17 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2h5m s ILE 71 CO 0.15 0.49 0.08 0.27 -1.23 0.00 0.00 174.94 174.69 2h5m s ILE 72 N 0.34 0.17 0.00 2.92 -0.00 -0.95 -2.83 121.20 120.85 2h5m s ILE 72 Ca -0.02 -1.37 -0.01 0.00 -0.00 0.00 0.00 60.65 59.26 2h5m s ILE 72 Cb -0.14 -1.23 -0.00 0.00 -0.00 0.00 0.00 42.46 41.09 2h5m s ILE 72 CO 0.02 -0.75 0.01 0.00 -0.00 0.00 0.00 174.94 174.21 2h5m s ALA 73 N -3.42 -0.00 -0.05 2.27 0.00 -1.26 -0.00 121.76 119.29 2h5m s ALA 73 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2h5m s ALA 73 Cb 0.04 0.03 -0.31 0.00 0.00 0.00 0.00 23.12 22.88 2h5m s ALA 73 CO -0.08 -0.06 0.65 0.77 0.00 0.00 0.00 175.76 177.04 2h5m h SER 74 N 5.62 0.61 -3.19 0.00 0.02 -1.29 -3.44 113.55 111.87 2h5m h SER 74 Ca -0.27 -0.94 -0.53 0.00 -0.84 0.00 0.00 61.79 59.21 2h5m h SER 74 Cb 1.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2h5m h SER 74 CO 0.47 1.78 0.56 0.00 -1.14 0.00 0.00 176.83 178.50 2h5m h SER 76 N 6.83 0.31 0.95 0.00 0.02 -1.97 -0.18 113.55 119.51 2h5m h SER 76 Ca -0.41 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 2h5m h SER 76 Cb 1.21 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.69 2h5m h SER 76 CO 0.81 0.21 -0.45 0.15 -1.14 0.00 0.00 176.83 176.41 2h5m h PHE 77 N 0.36 -1.18 -0.88 3.45 3.57 -1.98 0.18 116.94 120.47 2h5m h PHE 77 Ca 0.17 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2h5m h PHE 77 Cb 0.23 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2h5m h PHE 77 CO -0.00 -0.73 0.56 0.00 -2.23 0.00 0.00 178.31 175.91 2h5m h ALA 78 N -1.28 1.33 0.02 2.41 0.00 -1.88 0.81 119.26 120.68 2h5m h ALA 78 Ca -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2h5m h ALA 78 Cb 0.97 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2h5m h ALA 78 CO 0.21 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.83 2h5m h LYS 79 N 1.20 -0.02 -0.13 0.00 3.64 -0.93 -0.26 116.57 120.07 2h5m h LYS 79 Ca 0.32 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2h5m h LYS 79 Cb -0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2h5m h LYS 79 CO -0.06 0.07 -0.08 1.25 -2.27 0.00 0.00 179.45 178.35 2h5m h HIS 80 N -0.11 0.19 -0.50 1.91 2.76 -0.21 -1.11 115.15 118.09 2h5m h HIS 80 Ca -0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 2h5m h HIS 80 Cb 0.10 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2h5m h HIS 80 CO -0.05 0.28 -0.01 1.98 -1.30 0.00 0.00 177.93 178.83 2h5m h MET 81 N 0.18 0.89 -0.06 5.26 1.85 -0.29 0.24 114.93 123.00 2h5m h MET 81 Ca 0.04 -0.29 -0.10 0.00 -0.61 0.00 0.00 59.70 58.74 2h5m h MET 81 Cb 0.27 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 2h5m h MET 81 CO 0.01 0.93 -0.41 -0.07 -0.40 0.00 0.00 176.91 176.97 2h5m h LEU 82 N 0.75 0.14 -0.08 3.39 3.38 -0.32 -0.78 115.31 121.79 2h5m h LEU 82 Ca 0.14 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 2h5m h LEU 82 Cb 0.54 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2h5m h LEU 82 CO 0.03 0.54 -1.01 -0.33 0.09 0.00 0.00 178.44 177.76 2h5m h GLU 83 N 0.12 0.10 -0.03 1.13 5.08 -0.90 -3.33 114.58 116.75 2h5m h GLU 83 Ca 0.01 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2h5m h GLU 83 Cb 0.77 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2h5m h GLU 83 CO 0.06 1.02 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.71 2h5m h LYS 84 N 0.04 0.16 -4.97 2.33 3.64 -0.27 -3.38 116.57 114.11 2h5m h LYS 84 Ca -0.05 -0.13 -0.69 0.00 -1.27 0.00 0.00 60.65 58.51 2h5m h LYS 84 Cb 1.72 0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 33.39 2h5m h LYS 84 CO 0.15 0.80 0.68 -2.00 -2.27 0.00 0.00 179.45 176.80 2h5m s GLU 85 N -3.53 3.48 0.00 1.90 2.12 -0.32 -4.85 118.70 117.50 2h5m s GLU 85 Ca -0.16 -1.64 0.01 0.00 0.36 0.00 0.00 54.97 53.54 2h5m s GLU 85 Cb 0.02 -4.73 0.04 0.00 0.26 0.00 0.00 34.13 29.72 2h5m s GLU 85 CO 0.73 -1.72 1.01 -0.25 -0.54 0.00 0.00 175.26 174.48 2h5m n ASP 86 N 6.51 0.00 0.29 -1.70 8.00 -1.26 -1.88 116.55 126.51 2h5m n ASP 86 Ca 0.16 0.48 0.17 0.00 0.71 0.00 0.00 54.79 56.32 2h5m n ASP 86 Cb 0.48 -0.48 0.90 0.00 -0.02 0.00 0.00 41.12 42.00 2h5m n ASP 86 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2h5m h SER 87 N 0.00 0.00 -0.07 -2.24 0.02 -1.88 -0.92 113.55 108.45 2h5m h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2h5m h SER 87 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2h5m h SER 87 CO 0.00 0.04 0.00 -1.22 -1.14 0.00 0.00 176.83 174.51 2h5m n TYR 88 N -3.36 0.06 0.27 3.45 4.01 -0.79 -4.33 117.16 116.48 2h5m n TYR 88 Ca -0.02 -0.03 0.13 0.00 -0.16 0.00 0.00 57.90 57.83 2h5m n TYR 88 Cb 0.18 0.00 0.65 0.00 -0.31 0.00 0.00 39.34 39.86 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 4.65 0.00 -0.38 -0.72 4.15 -1.32 0.11 115.11 121.61 2h5m h GLN 89 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2h5m h GLN 89 Cb 0.99 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2h5m h GLN 89 CO 0.00 0.00 -0.23 -0.44 -1.93 0.00 0.00 178.83 176.23 2h5m h ASP 90 N 0.00 0.78 0.00 -0.69 3.32 -1.76 -3.29 116.42 114.78 2h5m h ASP 90 Ca 0.00 -0.28 -0.20 0.00 0.02 0.00 0.00 57.03 56.57 2h5m h ASP 90 Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2h5m h ASP 90 CO 0.00 0.98 -2.00 1.33 -1.72 0.00 0.00 179.24 177.83 2h5m n VAL 91 N -4.11 0.74 -2.59 -1.35 0.24 -0.82 -4.97 118.33 105.47 2h5m n VAL 91 Ca 0.00 -0.59 -0.36 0.00 -2.04 0.00 0.00 64.34 61.35 2h5m n VAL 91 Cb 0.43 -0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.66 3.25 -1.26 6.34 5.04 0.34 -0.64 117.35 127.76 2h5m s TYR 92 Ca -0.07 1.64 -0.15 0.00 -2.44 0.00 0.00 57.07 56.05 2h5m s TYR 92 Cb 0.07 -3.07 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 2h5m s TYR 92 CO 0.68 -0.55 2.26 1.28 -1.34 0.00 0.00 175.55 177.88 2h5m n LEU 93 N -0.26 6.30 -0.19 6.97 4.77 -1.13 -4.59 117.00 128.87 2h5m n LEU 93 Ca 0.06 -3.75 0.10 0.00 -0.03 0.00 0.00 56.01 52.38 2h5m n LEU 93 Cb 0.51 -1.45 0.48 0.00 -2.33 0.00 0.00 43.42 40.62 2h5m n LEU 93 CO 0.43 0.85 0.82 0.61 -1.33 0.00 0.00 177.39 178.77 2h5m n GLY 94 N 4.10 -0.55 0.14 -0.72 0.00 -1.26 -3.55 105.19 103.34 2h5m n GLY 94 Ca 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 0.77 0.02 -8.88 0.99 -0.00 -1.91 -3.41 115.31 102.89 2h5m h LEU 95 Ca 0.00 -0.01 -0.64 0.00 -0.00 0.00 0.00 57.88 57.23 2h5m h LEU 95 Cb 0.17 -0.01 -0.18 0.00 -0.00 0.00 0.00 40.66 40.64 2h5m h LEU 95 CO 0.00 0.62 -0.55 -1.61 -0.00 0.00 0.00 178.44 176.90 2h5m s GLU 96 N -3.66 3.90 -0.31 0.17 0.41 -1.23 -4.91 118.70 113.06 2h5m s GLU 96 Ca -0.02 -0.35 0.15 0.00 -0.41 0.00 0.00 54.97 54.34 2h5m s GLU 96 Cb 0.13 -3.53 0.43 0.00 -1.78 0.00 0.00 34.13 29.37 2h5m s GLU 96 CO 0.76 -0.12 1.43 -2.39 -0.49 0.00 0.00 175.26 174.46 2h5m n HIS 97 N 4.81 -1.21 -1.74 1.61 1.44 -1.26 -5.06 115.22 113.81 2h5m n HIS 97 Ca -0.15 -1.79 -0.42 0.00 -2.01 0.00 0.00 57.72 53.36 2h5m n HIS 97 Cb 0.52 1.10 -0.03 0.00 0.12 0.00 0.00 29.99 31.70 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 -0.82 1.91 -0.62 -1.40 5.04 -1.26 -3.35 115.29 114.78 2h5m s HIS 98 Ca 0.13 -0.11 -0.01 0.00 -1.54 0.00 0.00 55.06 53.54 2h5m s HIS 98 Cb 0.41 -4.16 0.00 0.00 0.04 0.00 0.00 32.58 28.87 2h5m s HIS 98 CO -0.11 -4.92 0.60 1.58 -2.34 0.00 0.00 174.74 169.55 2h5m n HIS 99 N 6.29 -2.62 -3.37 3.88 -0.00 -1.26 -4.96 115.22 113.19 2h5m n HIS 99 Ca 0.18 1.00 -0.45 0.00 -0.00 0.00 0.00 57.72 58.46 2h5m n HIS 99 Cb 0.39 -3.77 -0.01 0.00 -0.00 0.00 0.00 29.99 26.61 2h5m n HIS 99 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2h5m s HIS 100 N -2.96 4.12 -0.29 1.57 2.46 -1.21 -4.94 115.29 114.03 2h5m s HIS 100 Ca 0.01 -2.57 -0.03 0.00 0.47 0.00 0.00 55.06 52.94 2h5m s HIS 100 Cb -0.00 -3.78 0.11 0.00 -0.13 0.00 0.00 32.58 28.77 2h5m s HIS 100 CO 0.65 -0.94 0.16 -1.58 -2.47 0.00 0.00 174.74 170.56 2h5m s HIS 101 N -0.94 0.20 0.00 3.88 2.46 -1.26 -5.22 115.29 114.41 2h5m s HIS 101 Ca 0.27 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 55.01 2h5m s HIS 101 Cb -0.10 -0.82 0.00 0.00 -0.13 0.00 0.00 32.58 31.53 2h5m s HIS 101 CO -0.08 -0.85 0.00 1.58 -2.47 0.00 0.00 174.74 172.92