#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6p s THR 5 N 0.00 3.41 -0.07 2.61 2.01 -1.26 -5.11 115.64 117.23 1a6p s THR 5 Ca 0.00 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1a6p s THR 5 Cb 0.00 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1a6p s THR 5 CO 0.00 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.54 1a6p s VAL 6 N 0.14 1.91 -0.16 3.82 1.01 -1.26 -5.13 120.40 120.73 1a6p s VAL 6 Ca -0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1a6p s VAL 6 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1a6p s VAL 6 CO 0.04 0.53 0.04 0.26 0.00 0.00 0.00 175.10 175.97 1a6p s TRP 7 N 0.04 3.20 0.47 5.22 0.52 -1.26 -5.10 118.94 122.04 1a6p s TRP 7 Ca -0.08 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.09 1a6p s TRP 7 Cb -0.15 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 1a6p s TRP 7 CO 0.05 0.17 0.02 0.20 0.02 0.00 0.00 176.95 177.41 1a6p s GLY 8 N 0.16 2.84 -0.01 0.98 0.00 -1.26 -5.11 107.32 104.92 1a6p s GLY 8 Ca 0.03 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 1a6p s GLY 8 CO 0.01 -2.12 0.06 0.00 0.00 0.00 0.00 173.10 171.04 1a6p s ALA 9 N -2.89 -0.13 0.34 3.20 0.00 -1.26 -5.12 121.76 115.90 1a6p s ALA 9 Ca 0.15 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.80 1a6p s ALA 9 Cb 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 23.12 23.02 1a6p s ALA 9 CO 0.08 -0.09 1.10 1.28 0.00 0.00 0.00 175.76 178.12 1a6p n LEU 10 N 2.43 2.56 0.00 0.00 4.77 -1.26 -1.91 117.00 123.59 1a6p n LEU 10 Ca -0.17 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1a6p n LEU 10 Cb 0.58 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1a6p n LEU 10 CO 0.22 -1.13 0.00 0.61 -1.33 0.00 0.00 177.39 175.76 1a6p n GLY 11 N 1.07 2.92 3.98 -0.72 0.00 -1.26 -4.99 105.19 106.18 1a6p n GLY 11 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1a6p n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6p s HIS 12 N -1.73 2.81 0.42 1.61 3.76 -0.81 -5.13 115.29 116.23 1a6p s HIS 12 Ca 0.00 -0.06 0.07 0.00 -0.15 0.00 0.00 55.06 54.92 1a6p s HIS 12 Cb 0.00 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1a6p s HIS 12 CO 0.00 -0.86 0.33 0.20 -0.85 0.00 0.00 174.74 173.56 1a6p s GLY 13 N -4.43 2.20 -0.02 -2.22 0.00 -1.26 -4.85 107.32 96.74 1a6p s GLY 13 Ca 0.57 -1.92 -0.28 0.00 0.00 0.00 0.00 44.72 43.08 1a6p s GLY 13 CO 0.38 -1.77 0.64 -1.50 0.00 0.00 0.00 173.10 170.85 1a6p s ILE 14 N -2.52 0.01 -0.22 0.90 2.07 -1.26 -4.88 121.20 115.30 1a6p s ILE 14 Ca 0.46 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.63 1a6p s ILE 14 Cb -0.01 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.61 1a6p s ILE 14 CO 0.26 -0.03 -0.08 0.20 -1.91 0.00 0.00 174.94 173.38 1a6p s ASN 15 N -1.42 4.04 -0.37 4.50 -0.87 -1.26 -5.08 114.94 114.49 1a6p s ASN 15 Ca -0.09 -0.59 -0.24 0.00 -1.57 0.00 0.00 52.86 50.37 1a6p s ASN 15 Cb -0.00 -1.66 0.01 0.00 -0.02 0.00 0.00 41.25 39.58 1a6p s ASN 15 CO 0.06 -0.05 0.81 -0.76 -2.57 0.00 0.00 177.10 174.59 1a6p s LEU 16 N 1.39 4.11 -0.07 0.60 1.43 -1.26 -5.03 118.68 119.85 1a6p s LEU 16 Ca 0.04 0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 53.33 1a6p s LEU 16 Cb -0.15 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1a6p s LEU 16 CO -0.06 -0.76 0.50 0.20 0.23 0.00 0.00 176.35 176.46 1a6p s ASN 17 N 1.86 6.78 -0.09 2.29 -0.87 -1.26 -5.03 114.94 118.62 1a6p s ASN 17 Ca 0.32 0.93 -0.30 0.00 -1.57 0.00 0.00 52.86 52.25 1a6p s ASN 17 Cb -0.13 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.75 1a6p s ASN 17 CO 0.17 0.07 1.64 -0.63 -2.57 0.00 0.00 177.10 175.78 1a6p s ILE 18 N 0.18 3.62 0.14 0.60 1.01 -1.26 -4.93 121.20 120.56 1a6p s ILE 18 Ca 0.27 0.74 -0.33 0.00 0.00 0.00 0.00 60.65 61.33 1a6p s ILE 18 Cb -0.16 -3.51 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 1a6p s ILE 18 CO 0.13 -0.10 1.67 -2.65 0.00 0.00 0.00 174.94 173.99 1a6p n PRO 19 N 7.21 2.36 -3.69 2.79 -0.02 -1.26 -3.83 135.00 138.56 1a6p n PRO 19 Ca 0.18 0.85 -0.28 0.00 -2.02 0.00 0.00 63.50 62.23 1a6p n PRO 19 Cb 0.43 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.26 1a6p n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1a6p n ASN 20 N 4.09 -4.82 -3.71 2.55 4.13 -1.26 -4.98 115.26 111.26 1a6p n ASN 20 Ca 0.17 -0.75 -0.14 0.00 1.68 0.00 0.00 54.58 55.54 1a6p n ASN 20 Cb 0.31 -1.55 -0.08 0.00 -1.54 0.00 0.00 39.78 36.92 1a6p n ASN 20 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1a6p s PHE 21 N -2.55 -0.35 -0.09 3.10 5.36 -1.25 -5.15 117.98 117.05 1a6p s PHE 21 Ca 0.10 0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1a6p s PHE 21 Cb -0.01 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 1a6p s PHE 21 CO 0.87 -0.39 -0.04 -1.14 -1.46 0.00 0.00 175.22 173.06 1a6p s GLN 22 N -0.87 1.10 0.06 10.12 2.00 -1.26 -5.01 119.66 125.80 1a6p s GLN 22 Ca -0.09 -0.10 -0.31 0.00 -2.00 0.00 0.00 55.36 52.86 1a6p s GLN 22 Cb -0.04 -1.27 -0.08 0.00 0.80 0.00 0.00 33.01 32.43 1a6p s GLN 22 CO 0.04 -0.26 1.55 1.41 -0.50 0.00 0.00 175.29 177.54 1a6p s MET 23 N 1.71 4.23 0.34 1.67 -2.45 -1.26 -5.01 119.30 118.54 1a6p s MET 23 Ca 0.03 2.21 0.04 0.00 -1.25 0.00 0.00 55.69 56.72 1a6p s MET 23 Cb -0.13 -3.51 -0.02 0.00 1.25 0.00 0.00 34.83 32.43 1a6p s MET 23 CO -0.06 -0.65 0.15 2.41 1.05 0.00 0.00 175.02 177.92 1a6p n THR 24 N 4.55 0.00 1.25 10.11 -1.04 -1.26 -5.05 114.28 122.85 1a6p n THR 24 Ca 0.14 -2.08 0.14 0.00 -2.04 0.00 0.00 64.05 60.21 1a6p n THR 24 Cb 0.41 0.81 0.60 0.00 -1.82 0.00 0.00 70.33 70.33 1a6p n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1a6p n ASP 25 N -1.65 0.25 -1.79 8.00 9.92 -1.26 -3.59 116.55 126.43 1a6p n ASP 25 Ca -0.03 -0.15 -0.16 0.00 -0.53 0.00 0.00 54.79 53.92 1a6p n ASP 25 Cb 0.53 -0.19 0.11 0.00 -0.64 0.00 0.00 41.12 40.93 1a6p n ASP 25 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1a6p n ASP 26 N -1.24 3.79 -4.05 -2.24 2.03 -1.26 -4.80 116.55 108.78 1a6p n ASP 26 Ca 0.11 -3.03 -0.31 0.00 0.52 0.00 0.00 54.79 52.08 1a6p n ASP 26 Cb 0.29 -0.74 -0.16 0.00 -0.72 0.00 0.00 41.12 39.79 1a6p n ASP 26 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1a6p s ILE 27 N -2.15 1.86 -0.07 5.18 1.01 -1.24 -4.99 121.20 120.81 1a6p s ILE 27 Ca 0.36 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1a6p s ILE 27 Cb 0.30 -1.84 -0.24 0.00 0.01 0.00 0.00 42.46 40.69 1a6p s ILE 27 CO 0.06 0.28 0.57 -0.78 0.00 0.00 0.00 174.94 175.08 1a6p h ASP 28 N 7.93 0.16 -4.42 3.58 3.58 -1.92 -3.45 116.42 121.88 1a6p h ASP 28 Ca -0.33 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 56.65 1a6p h ASP 28 Cb 1.10 -0.05 -0.22 0.00 1.72 0.00 0.00 39.33 41.88 1a6p h ASP 28 CO 0.53 1.31 -0.25 -0.70 -2.88 0.00 0.00 179.24 177.25 1a6p s GLU 29 N -2.59 0.57 -0.10 0.28 2.12 -1.26 -1.25 118.70 116.47 1a6p s GLU 29 Ca -0.11 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.42 1a6p s GLU 29 Cb 0.07 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.75 1a6p s GLU 29 CO 0.81 -0.12 -0.11 0.08 -0.54 0.00 0.00 175.26 175.38 1a6p s VAL 30 N -0.54 1.17 -0.06 3.70 1.01 -0.75 -5.00 120.40 119.93 1a6p s VAL 30 Ca -0.07 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1a6p s VAL 30 Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1a6p s VAL 30 CO 0.03 0.38 -0.16 -0.60 0.00 0.00 0.00 175.10 174.75 1a6p s ARG 31 N 1.23 1.87 -0.13 2.72 3.52 -1.26 -1.35 118.95 125.54 1a6p s ARG 31 Ca -0.03 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1a6p s ARG 31 Cb -0.14 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1a6p s ARG 31 CO -0.03 0.15 -0.20 -1.58 -0.81 0.00 0.00 175.30 172.83 1a6p s TRP 32 N 0.32 2.69 0.08 5.12 0.52 0.17 -5.02 118.94 122.81 1a6p s TRP 32 Ca -0.10 -1.08 0.03 0.00 0.02 0.00 0.00 56.10 54.98 1a6p s TRP 32 Cb -0.14 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1a6p s TRP 32 CO 0.04 -0.46 -0.10 -1.21 0.02 0.00 0.00 176.95 175.23 1a6p s GLU 33 N 0.61 0.75 -0.36 4.98 2.02 -1.26 -0.96 118.70 124.49 1a6p s GLU 33 Ca -0.11 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 53.87 1a6p s GLU 33 Cb -0.16 -0.51 0.11 0.00 0.10 0.00 0.00 34.13 33.67 1a6p s GLU 33 CO 0.03 0.09 0.14 0.50 0.02 0.00 0.00 175.26 176.04 1a6p s ARG 34 N -2.31 0.97 7.44 1.61 3.52 0.27 -4.88 118.95 125.57 1a6p s ARG 34 Ca 0.00 -1.46 0.00 0.00 -0.13 0.00 0.00 55.73 54.14 1a6p s ARG 34 Cb -0.06 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1a6p s ARG 34 CO 0.00 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.86 1a6p n GLY 35 N 4.35 2.69 0.02 8.12 0.00 -1.26 -1.52 105.19 117.58 1a6p n GLY 35 Ca 0.02 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1a6p n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a6p n SER 36 N 6.31 0.16 -4.72 1.61 3.41 -1.26 -4.84 113.62 114.30 1a6p n SER 36 Ca 0.00 0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 58.65 1a6p n SER 36 Cb 0.00 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 1a6p n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a6p s THR 37 N -3.02 4.91 -0.40 6.66 2.01 -0.58 -5.03 115.64 120.20 1a6p s THR 37 Ca 0.13 1.76 -0.22 0.00 0.31 0.00 0.00 61.69 63.67 1a6p s THR 37 Cb 0.18 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1a6p s THR 37 CO 0.56 0.23 0.70 -0.22 -0.69 0.00 0.00 174.62 175.19 1a6p s LEU 38 N 0.77 4.29 -0.13 4.42 2.96 -1.26 -0.57 118.68 129.16 1a6p s LEU 38 Ca 0.44 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 54.18 1a6p s LEU 38 Cb -0.20 -2.85 -0.26 0.00 0.50 0.00 0.00 46.19 43.39 1a6p s LEU 38 CO 0.23 -0.73 0.52 0.58 -1.32 0.00 0.00 176.35 175.63 1a6p h VAL 39 N 5.80 1.09 -2.09 1.68 2.07 -1.39 -3.48 116.25 119.93 1a6p h VAL 39 Ca -0.25 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 1a6p h VAL 39 Cb 1.10 2.70 -0.21 0.00 -1.52 0.00 0.00 31.29 33.36 1a6p h VAL 39 CO 0.89 0.63 0.11 0.00 0.02 0.00 0.00 177.57 179.22 1a6p s ALA 40 N -2.43 -1.69 -0.13 1.67 0.00 -1.07 -5.02 121.76 113.09 1a6p s ALA 40 Ca -0.21 1.67 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 1a6p s ALA 40 Cb 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1a6p s ALA 40 CO 0.73 -0.34 0.33 -2.00 0.00 0.00 0.00 175.76 174.48 1a6p s GLU 41 N -0.22 0.35 -0.07 0.00 2.12 -1.26 -0.65 118.70 118.97 1a6p s GLU 41 Ca -0.04 0.56 0.05 0.00 0.36 0.00 0.00 54.97 55.90 1a6p s GLU 41 Cb -0.03 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 1a6p s GLU 41 CO 0.04 -0.10 -0.25 0.12 -0.54 0.00 0.00 175.26 174.53 1a6p s PHE 42 N 0.72 2.47 -0.22 5.30 5.36 -0.46 -5.00 117.98 126.15 1a6p s PHE 42 Ca -0.04 -0.81 -0.03 0.00 -0.96 0.00 0.00 56.93 55.08 1a6p s PHE 42 Cb -0.06 -1.63 0.12 0.00 -0.34 0.00 0.00 43.02 41.11 1a6p s PHE 42 CO -0.05 -0.27 0.31 0.21 -1.46 0.00 0.00 175.22 173.96 1a6p s LYS 43 N -0.03 0.28 -0.03 10.12 2.20 -1.26 -1.81 119.74 129.21 1a6p s LYS 43 Ca -0.08 0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1a6p s LYS 43 Cb -0.15 -0.75 -0.21 0.00 -1.51 0.00 0.00 37.83 35.21 1a6p s LYS 43 CO 0.05 -0.63 1.21 0.07 -0.36 0.00 0.00 175.35 175.69 1a6p h ARG 44 N 8.24 0.01 -6.85 4.03 0.11 -1.49 -3.45 114.38 114.97 1a6p h ARG 44 Ca -0.18 -0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.42 1a6p h ARG 44 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 1a6p h ARG 44 CO 0.27 0.55 0.21 0.15 0.10 0.00 0.00 179.97 181.26 1a6p s LYS 45 N -4.02 4.17 0.80 0.08 1.02 -1.26 -5.05 119.74 115.48 1a6p s LYS 45 Ca -0.16 0.92 -0.11 0.00 0.02 0.00 0.00 55.97 56.64 1a6p s LYS 45 Cb 0.01 -2.42 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1a6p s LYS 45 CO 0.68 0.13 1.11 -2.14 -0.92 0.00 0.00 175.35 174.20 1a6p s PRO 48 N -2.85 2.02 0.21 -1.68 0.02 -1.26 -5.00 135.00 126.45 1a6p s PRO 48 Ca 0.55 1.27 -0.26 0.00 0.02 0.00 0.00 61.00 62.58 1a6p s PRO 48 Cb -0.11 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 1a6p s PRO 48 CO 0.17 -1.83 0.83 0.12 -0.33 0.00 0.00 177.00 175.95 1a6p s PHE 49 N -2.81 3.88 -0.10 6.54 2.19 -1.26 -5.05 117.98 121.37 1a6p s PHE 49 Ca 0.63 1.70 -0.04 0.00 0.33 0.00 0.00 56.93 59.54 1a6p s PHE 49 Cb -0.19 -2.82 0.05 0.00 -1.31 0.00 0.00 43.02 38.75 1a6p s PHE 49 CO 0.56 0.45 0.22 -0.51 1.83 0.00 0.00 175.22 177.77 1a6p s LEU 50 N -1.34 0.13 0.21 6.12 1.02 -1.26 -4.94 118.68 118.62 1a6p s LEU 50 Ca 0.39 0.48 -0.10 0.00 0.02 0.00 0.00 54.13 54.93 1a6p s LEU 50 Cb -0.23 0.59 0.26 0.00 0.02 0.00 0.00 46.19 46.83 1a6p s LEU 50 CO 0.27 -0.20 1.77 0.50 0.02 0.00 0.00 176.35 178.70 1a6p h LYS 51 N 7.77 0.48 -3.20 1.70 3.64 -1.97 -3.46 116.57 121.54 1a6p h LYS 51 Ca -0.27 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 1a6p h LYS 51 Cb 1.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1a6p h LYS 51 CO 0.26 0.32 0.19 -1.54 -2.27 0.00 0.00 179.45 176.41 1a6p s SER 52 N -5.46 0.18 0.00 4.20 1.04 -1.26 -5.02 113.70 107.39 1a6p s SER 52 Ca -0.13 -1.22 0.18 0.00 0.48 0.00 0.00 55.95 55.26 1a6p s SER 52 Cb 0.16 0.82 0.88 0.00 0.10 0.00 0.00 66.02 67.99 1a6p s SER 52 CO 0.75 -1.63 1.55 0.61 0.98 0.00 0.00 173.24 175.49 1a6p n GLY 53 N -0.54 -0.93 0.06 7.32 0.00 -1.26 -2.32 105.19 107.51 1a6p n GLY 53 Ca -0.07 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1a6p n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6p n ALA 54 N -1.33 1.90 -2.39 4.61 0.00 -1.26 -4.80 120.51 117.23 1a6p n ALA 54 Ca 0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 1a6p n ALA 54 Cb 0.16 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1a6p n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1a6p s PHE 55 N -3.12 1.84 -0.28 0.00 0.08 -0.98 -0.46 117.98 115.06 1a6p s PHE 55 Ca 0.08 -0.66 -0.23 0.00 0.12 0.00 0.00 56.93 56.24 1a6p s PHE 55 Cb 0.12 -0.98 0.10 0.00 -0.57 0.00 0.00 43.02 41.68 1a6p s PHE 55 CO 0.41 0.29 0.85 -1.83 -0.10 0.00 0.00 175.22 174.84 1a6p s GLU 56 N -3.70 0.66 -0.26 0.44 -1.05 -0.85 -4.85 118.70 109.10 1a6p s GLU 56 Ca 0.27 0.86 -0.12 0.00 -0.15 0.00 0.00 54.97 55.83 1a6p s GLU 56 Cb 0.02 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1a6p s GLU 56 CO 0.10 -0.09 0.23 -1.50 0.95 0.00 0.00 175.26 174.94 1a6p s ILE 57 N 0.58 5.30 0.96 1.83 2.07 -1.26 -0.60 121.20 130.07 1a6p s ILE 57 Ca -0.01 0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.38 1a6p s ILE 57 Cb -0.05 -3.56 0.17 0.00 0.13 0.00 0.00 42.46 39.15 1a6p s ILE 57 CO -0.06 0.27 1.13 -0.76 -1.91 0.00 0.00 174.94 173.61 1a6p s LEU 58 N 1.51 1.81 0.15 8.50 1.43 0.45 -4.91 118.68 127.62 1a6p s LEU 58 Ca 0.09 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 1a6p s LEU 58 Cb -0.15 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.93 1a6p s LEU 58 CO 0.08 -2.85 1.72 0.00 0.23 0.00 0.00 176.35 175.53 1a6p h ALA 59 N -1.70 0.32 0.00 4.21 0.00 -1.98 -1.29 119.26 118.81 1a6p h ALA 59 Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a6p h ALA 59 Cb 1.33 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1a6p h ALA 59 CO 0.58 -0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.73 1a6p n ASN 60 N -5.13 0.00 0.00 0.00 0.23 -1.26 -4.84 115.26 104.27 1a6p n ASN 60 Ca 0.01 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.80 1a6p n ASN 60 Cb 0.15 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1a6p n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a6p n GLY 61 N 0.13 0.61 3.78 4.83 0.00 -0.48 -5.07 105.19 108.98 1a6p n GLY 61 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1a6p n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6p s ASP 62 N -2.92 5.91 -0.21 1.61 1.01 -1.26 -4.71 116.67 116.10 1a6p s ASP 62 Ca 0.00 2.15 -0.12 0.00 0.71 0.00 0.00 52.55 55.28 1a6p s ASP 62 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1a6p s ASP 62 CO 0.00 -1.09 0.23 -0.22 0.21 0.00 0.00 175.17 174.31 1a6p s LEU 63 N -3.62 4.16 -0.18 1.23 2.96 -1.26 -0.41 118.68 121.56 1a6p s LEU 63 Ca 0.70 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 1a6p s LEU 63 Cb -0.23 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1a6p s LEU 63 CO 0.27 0.05 0.03 -0.75 -1.32 0.00 0.00 176.35 174.62 1a6p s LYS 64 N 0.94 3.85 -0.28 1.98 2.20 0.23 -4.98 119.74 123.68 1a6p s LYS 64 Ca 0.12 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1a6p s LYS 64 Cb -0.13 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1a6p s LYS 64 CO 0.04 0.24 -0.01 0.42 -0.36 0.00 0.00 175.35 175.68 1a6p s ILE 65 N 0.43 3.07 0.08 5.43 1.01 -1.26 -2.00 121.20 127.95 1a6p s ILE 65 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 60.65 59.15 1a6p s ILE 65 Cb -0.13 -2.67 -0.17 0.00 0.01 0.00 0.00 42.46 39.50 1a6p s ILE 65 CO 0.01 0.02 1.61 0.11 0.00 0.00 0.00 174.94 176.70 1a6p h LYS 66 N 8.03 -0.85 -3.61 2.79 1.57 -1.10 -3.42 116.57 119.98 1a6p h LYS 66 Ca -0.26 0.06 -0.57 0.00 -1.87 0.00 0.00 60.65 58.00 1a6p h LYS 66 Cb 1.09 0.19 -0.40 0.00 0.08 0.00 0.00 32.23 33.19 1a6p h LYS 66 CO 0.56 -0.56 -0.76 1.21 -0.57 0.00 0.00 179.45 179.32 1a6p s ASN 67 N -4.44 3.85 0.21 0.86 3.84 -1.26 -5.12 114.94 112.88 1a6p s ASN 67 Ca -0.17 -1.48 -0.30 0.00 0.21 0.00 0.00 52.86 51.11 1a6p s ASN 67 Cb 0.04 -0.85 -0.10 0.00 -0.55 0.00 0.00 41.25 39.80 1a6p s ASN 67 CO 0.62 -0.39 1.45 -0.76 -2.79 0.00 0.00 177.10 175.23 1a6p s LEU 68 N 1.64 4.38 0.36 3.21 1.43 -1.26 -5.04 118.68 123.40 1a6p s LEU 68 Ca 0.07 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.80 1a6p s LEU 68 Cb -0.17 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1a6p s LEU 68 CO -0.21 -0.70 0.11 0.42 0.23 0.00 0.00 176.35 176.19 1a6p s THR 69 N 0.34 0.74 0.48 5.49 -4.23 -1.26 -5.03 115.64 112.17 1a6p s THR 69 Ca 0.62 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1a6p s THR 69 Cb -0.41 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1a6p s THR 69 CO 0.39 0.00 2.07 -0.09 -0.54 0.00 0.00 174.62 176.45 1a6p h ARG 70 N 1.98 0.02 0.00 3.99 2.43 -1.98 -2.25 114.38 118.57 1a6p h ARG 70 Ca -0.37 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1a6p h ARG 70 Cb 1.26 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1a6p h ARG 70 CO 0.60 0.10 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.71 1a6p h ASP 71 N 0.02 0.00 0.98 -3.80 3.32 -2.00 -2.86 116.42 112.08 1a6p h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a6p h ASP 71 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1a6p h ASP 71 CO 0.01 0.01 -0.16 0.47 -1.72 0.00 0.00 179.24 177.86 1a6p n ASP 72 N -3.15 0.31 -4.82 6.45 8.00 -0.85 -4.90 116.55 117.60 1a6p n ASP 72 Ca -0.01 0.33 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 1a6p n ASP 72 Cb 0.19 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1a6p n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a6p s SER 73 N -3.39 5.79 0.00 -2.24 1.04 -1.08 -4.93 113.70 108.88 1a6p s SER 73 Ca 0.12 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1a6p s SER 73 Cb 0.17 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1a6p s SER 73 CO 0.59 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1a6p n GLY 74 N -1.64 0.85 3.69 7.32 0.00 0.81 -4.98 105.19 111.23 1a6p n GLY 74 Ca 0.08 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 1a6p n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6p s THR 75 N -1.07 5.06 -0.09 2.61 2.01 -1.26 -0.59 115.64 122.31 1a6p s THR 75 Ca 0.00 1.22 -0.00 0.00 0.31 0.00 0.00 61.69 63.21 1a6p s THR 75 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1a6p s THR 75 CO 0.00 0.18 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.76 1a6p s TYR 76 N 1.40 3.00 -0.10 4.92 1.51 -0.08 -4.93 117.35 123.06 1a6p s TYR 76 Ca 0.31 0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1a6p s TYR 76 Cb -0.16 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1a6p s TYR 76 CO 0.12 0.30 -0.17 -0.80 -1.11 0.00 0.00 175.55 173.90 1a6p s ASN 77 N -0.64 3.74 -0.07 2.29 0.02 -1.26 0.10 114.94 119.12 1a6p s ASN 77 Ca 0.10 -0.37 0.04 0.00 -1.02 0.00 0.00 52.86 51.61 1a6p s ASN 77 Cb -0.12 -1.33 -0.02 0.00 0.02 0.00 0.00 41.25 39.80 1a6p s ASN 77 CO 0.02 0.21 -0.17 -0.69 0.02 0.00 0.00 177.10 176.48 1a6p s VAL 78 N 0.08 2.76 -0.03 1.60 1.01 -0.31 -5.00 120.40 120.51 1a6p s VAL 78 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1a6p s VAL 78 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1a6p s VAL 78 CO 0.05 0.57 -0.06 -0.89 0.00 0.00 0.00 175.10 174.77 1a6p s THR 79 N -0.33 0.59 -0.05 3.92 2.01 -1.26 -1.57 115.64 118.94 1a6p s THR 79 Ca 0.02 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1a6p s THR 79 Cb -0.13 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1a6p s THR 79 CO 0.02 0.21 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.25 1a6p s VAL 80 N 0.46 1.81 -0.04 3.82 1.01 -0.30 -5.00 120.40 122.16 1a6p s VAL 80 Ca -0.06 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1a6p s VAL 80 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1a6p s VAL 80 CO 0.00 0.51 -0.25 -0.31 0.00 0.00 0.00 175.10 175.05 1a6p s TYR 81 N -0.06 2.32 0.84 5.22 2.02 -1.26 -1.30 117.35 125.14 1a6p s TYR 81 Ca -0.05 -0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 55.99 1a6p s TYR 81 Cb -0.13 -1.51 0.10 0.00 -0.40 0.00 0.00 41.96 40.01 1a6p s TYR 81 CO 0.03 -0.11 1.11 -1.54 -1.57 0.00 0.00 175.55 173.47 1a6p s SER 82 N -0.40 4.12 0.59 2.29 1.04 0.88 -4.86 113.70 117.35 1a6p s SER 82 Ca 0.04 1.20 0.29 0.00 0.48 0.00 0.00 55.95 57.96 1a6p s SER 82 Cb -0.11 -1.87 1.39 0.00 0.10 0.00 0.00 66.02 65.52 1a6p s SER 82 CO 0.01 -2.19 1.78 0.74 0.98 0.00 0.00 173.24 174.56 1a6p h THR 83 N -1.25 0.30 -0.64 2.02 2.02 -2.01 0.31 112.91 113.66 1a6p h THR 83 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1a6p h THR 83 Cb 1.29 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1a6p h THR 83 CO 0.60 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.03 1a6p n ASN 84 N -3.66 3.66 0.00 4.18 6.94 -1.26 -4.93 115.26 120.19 1a6p n ASN 84 Ca 0.13 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1a6p n ASN 84 Cb 0.87 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1a6p n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a6p n GLY 85 N 1.45 0.95 3.73 4.83 0.00 0.11 -5.05 105.19 111.22 1a6p n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1a6p n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6p s THR 86 N -2.88 3.49 -0.77 2.61 2.01 -1.25 -4.70 115.64 114.15 1a6p s THR 86 Ca 0.00 1.20 -0.26 0.00 0.31 0.00 0.00 61.69 62.93 1a6p s THR 86 Cb 0.00 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1a6p s THR 86 CO 0.00 0.16 1.35 -0.60 -0.69 0.00 0.00 174.62 174.85 1a6p s ARG 87 N 0.12 3.20 0.01 4.92 3.52 -1.26 -0.08 118.95 129.38 1a6p s ARG 87 Ca 0.56 -0.30 0.25 0.00 -0.13 0.00 0.00 55.73 56.11 1a6p s ARG 87 Cb -0.34 -4.37 0.51 0.00 -1.56 0.00 0.00 34.95 29.19 1a6p s ARG 87 CO 0.35 -2.22 1.42 0.44 -0.81 0.00 0.00 175.30 174.48 1a6p n ILE 88 N 6.53 0.04 -3.64 4.11 -5.35 -0.42 -4.94 119.36 115.70 1a6p n ILE 88 Ca 0.09 -0.03 -0.15 0.00 -0.27 0.00 0.00 62.75 62.39 1a6p n ILE 88 Cb 0.49 0.18 -0.08 0.00 -1.74 0.00 0.00 39.64 38.50 1a6p n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1a6p s LEU 89 N -3.14 -0.22 -0.29 7.28 2.96 -1.08 -4.98 118.68 119.21 1a6p s LEU 89 Ca 0.10 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1a6p s LEU 89 Cb 0.17 2.07 0.18 0.00 0.50 0.00 0.00 46.19 49.12 1a6p s LEU 89 CO 0.70 -0.36 0.56 -0.62 -1.32 0.00 0.00 176.35 175.31 1a6p s ASP 90 N -0.36 -1.09 0.03 3.68 -1.08 -1.26 -1.15 116.67 115.44 1a6p s ASP 90 Ca -0.05 0.66 0.03 0.00 -0.52 0.00 0.00 52.55 52.67 1a6p s ASP 90 Cb -0.03 1.95 -0.02 0.00 -1.46 0.00 0.00 42.92 43.36 1a6p s ASP 90 CO 0.04 -0.27 -0.09 -0.54 0.52 0.00 0.00 175.17 174.82 1a6p s LYS 91 N 2.80 0.63 -0.19 4.34 -0.14 -0.61 -4.99 119.74 121.58 1a6p s LYS 91 Ca 0.18 -0.65 -0.08 0.00 -1.36 0.00 0.00 55.97 54.06 1a6p s LYS 91 Cb -0.14 -0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 35.44 1a6p s LYS 91 CO -0.21 0.12 0.08 0.00 -0.76 0.00 0.00 175.35 174.58 1a6p s ALA 92 N -0.97 3.47 -0.29 5.17 0.00 -1.26 -1.16 121.76 126.72 1a6p s ALA 92 Ca -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1a6p s ALA 92 Cb -0.08 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.15 1a6p s ALA 92 CO 0.01 0.18 -0.02 -1.17 0.00 0.00 0.00 175.76 174.75 1a6p s LEU 93 N 0.35 3.69 -0.56 0.00 2.96 0.29 -4.95 118.68 120.46 1a6p s LEU 93 Ca 0.04 -1.66 -0.28 0.00 -0.22 0.00 0.00 54.13 52.01 1a6p s LEU 93 Cb -0.12 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.13 1a6p s LEU 93 CO -0.00 -0.29 1.31 -0.62 -1.32 0.00 0.00 176.35 175.43 1a6p s ASP 94 N 1.12 6.29 -0.31 3.68 2.15 -1.26 -0.90 116.67 127.44 1a6p s ASP 94 Ca 0.01 0.23 -0.18 0.00 0.43 0.00 0.00 52.55 53.04 1a6p s ASP 94 Cb -0.19 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 1a6p s ASP 94 CO -0.08 -1.59 0.50 -0.22 -0.17 0.00 0.00 175.17 173.61 1a6p s LEU 95 N 5.50 4.19 0.14 -1.34 2.96 0.24 -4.96 118.68 125.42 1a6p s LEU 95 Ca 0.48 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1a6p s LEU 95 Cb -0.09 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1a6p s LEU 95 CO 0.26 -0.37 0.01 -0.13 -1.32 0.00 0.00 176.35 174.80 1a6p s ARG 96 N 2.33 2.52 -0.10 1.98 0.52 -1.26 -0.13 118.95 124.81 1a6p s ARG 96 Ca 0.19 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1a6p s ARG 96 Cb -0.15 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.86 1a6p s ARG 96 CO 0.11 0.50 -0.14 0.42 0.02 0.00 0.00 175.30 176.21 1a6p s ILE 97 N -1.54 1.39 0.12 1.52 1.01 -1.26 -5.00 121.20 117.45 1a6p s ILE 97 Ca 0.27 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 1a6p s ILE 97 Cb -0.10 -1.29 -0.08 0.00 0.01 0.00 0.00 42.46 41.00 1a6p s ILE 97 CO 0.19 0.42 1.37 -0.22 0.00 0.00 0.00 174.94 176.70 1a6p s LEU 98 N 1.01 4.38 0.00 2.97 2.96 -1.26 -5.09 118.68 123.65 1a6p s LEU 98 Ca -0.07 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 1a6p s LEU 98 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1a6p s LEU 98 CO -0.01 -0.63 0.14 1.21 -1.32 0.00 0.00 176.35 175.74