#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7b s VAL 6 N 0.00 1.19 -0.01 1.08 -7.23 -1.26 -5.15 120.40 109.01 1a7b s VAL 6 Ca 0.00 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1a7b s VAL 6 Cb 0.00 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1a7b s VAL 6 CO 0.00 0.34 0.03 0.26 -0.31 0.00 0.00 175.10 175.42 1a7b s TRP 7 N -0.34 3.17 -0.21 2.82 0.52 -1.26 -5.12 118.94 118.52 1a7b s TRP 7 Ca 0.06 0.15 -0.18 0.00 0.02 0.00 0.00 56.10 56.14 1a7b s TRP 7 Cb -0.06 -1.71 0.06 0.00 -1.15 0.00 0.00 33.47 30.61 1a7b s TRP 7 CO -0.01 0.50 0.56 0.20 0.02 0.00 0.00 176.95 178.22 1a7b s GLY 8 N -1.54 -0.43 0.26 0.98 0.00 -1.26 -5.08 107.32 100.25 1a7b s GLY 8 Ca 0.20 1.65 -0.28 0.00 0.00 0.00 0.00 44.72 46.30 1a7b s GLY 8 CO 0.11 1.49 0.91 0.00 0.00 0.00 0.00 173.10 175.61 1a7b s ALA 9 N 0.54 3.31 0.83 3.20 0.00 -1.26 -5.03 121.76 123.34 1a7b s ALA 9 Ca -0.02 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1a7b s ALA 9 Cb -0.04 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1a7b s ALA 9 CO -0.03 0.21 1.14 -1.17 0.00 0.00 0.00 175.76 175.92 1a7b s LEU 10 N -1.50 3.01 0.00 0.00 0.20 -1.26 -3.32 118.68 115.81 1a7b s LEU 10 Ca 0.43 2.09 0.00 0.00 0.69 0.00 0.00 54.13 57.35 1a7b s LEU 10 Cb -0.23 -4.56 0.00 0.00 -0.43 0.00 0.00 46.19 40.98 1a7b s LEU 10 CO 0.28 -2.56 0.00 0.61 -0.29 0.00 0.00 176.35 174.39 1a7b n GLY 11 N -0.25 1.41 4.00 7.98 0.00 -1.26 -4.93 105.19 112.14 1a7b n GLY 11 Ca 0.11 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1a7b n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a7b s HIS 12 N -0.08 2.49 0.48 1.61 3.76 -1.21 -5.11 115.29 117.22 1a7b s HIS 12 Ca 0.00 -0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1a7b s HIS 12 Cb 0.00 -2.48 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 1a7b s HIS 12 CO 0.00 -0.75 0.73 0.20 -0.85 0.00 0.00 174.74 174.07 1a7b s GLY 13 N -4.45 1.54 -0.04 -2.22 0.00 -1.26 -4.86 107.32 96.02 1a7b s GLY 13 Ca 0.58 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 44.37 1a7b s GLY 13 CO 0.36 -0.68 0.16 -1.50 0.00 0.00 0.00 173.10 171.44 1a7b s ILE 14 N -2.66 0.03 -0.26 0.90 1.10 -1.26 -4.89 121.20 114.17 1a7b s ILE 14 Ca 0.48 -0.26 -0.04 0.00 -0.51 0.00 0.00 60.65 60.32 1a7b s ILE 14 Cb -0.10 -0.32 0.01 0.00 0.15 0.00 0.00 42.46 42.20 1a7b s ILE 14 CO 0.40 -0.14 0.00 0.20 -2.11 0.00 0.00 174.94 173.30 1a7b s ASN 15 N -0.46 4.65 -0.60 4.50 0.01 -1.26 -5.06 114.94 116.73 1a7b s ASN 15 Ca -0.06 -0.67 -0.27 0.00 -0.71 0.00 0.00 52.86 51.15 1a7b s ASN 15 Cb -0.04 -1.77 0.03 0.00 0.41 0.00 0.00 41.25 39.88 1a7b s ASN 15 CO 0.01 -0.12 1.14 -0.76 -1.51 0.00 0.00 177.10 175.85 1a7b s LEU 16 N 1.44 3.59 0.33 0.60 1.43 -1.26 -5.00 118.68 119.81 1a7b s LEU 16 Ca 0.03 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 1a7b s LEU 16 Cb -0.16 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1a7b s LEU 16 CO -0.01 -1.47 1.14 0.20 0.23 0.00 0.00 176.35 176.43 1a7b s ASN 17 N 3.06 6.94 -0.39 2.29 0.02 -1.26 -5.01 114.94 120.59 1a7b s ASN 17 Ca 0.38 2.31 -0.19 0.00 -1.02 0.00 0.00 52.86 54.34 1a7b s ASN 17 Cb -0.09 -2.62 0.01 0.00 0.02 0.00 0.00 41.25 38.57 1a7b s ASN 17 CO 0.22 -0.38 0.56 -0.51 0.02 0.00 0.00 177.10 177.01 1a7b s ILE 18 N -1.30 4.95 0.17 0.60 2.07 -1.26 -5.03 121.20 121.40 1a7b s ILE 18 Ca 0.50 0.17 -0.34 0.00 -1.41 0.00 0.00 60.65 59.58 1a7b s ILE 18 Cb -0.31 -4.07 -0.15 0.00 0.13 0.00 0.00 42.46 38.06 1a7b s ILE 18 CO 0.40 -0.39 1.45 -0.81 -1.91 0.00 0.00 174.94 173.68 1a7b n PRO 19 N 5.93 1.82 -2.05 3.50 -0.04 -1.26 -2.94 135.00 139.95 1a7b n PRO 19 Ca -0.04 0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1a7b n PRO 19 Cb 0.48 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 1a7b n PRO 19 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a7b n ASN 20 N 2.78 -3.23 -4.82 3.54 5.03 -1.26 -4.94 115.26 112.37 1a7b n ASN 20 Ca 0.16 0.25 -0.30 0.00 0.87 0.00 0.00 54.58 55.55 1a7b n ASN 20 Cb 0.27 -2.87 -0.06 0.00 -1.02 0.00 0.00 39.78 36.10 1a7b n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1a7b s PHE 21 N -2.30 3.28 -0.17 3.10 5.36 -1.15 -5.10 117.98 120.99 1a7b s PHE 21 Ca 0.00 0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1a7b s PHE 21 Cb 0.00 -1.65 0.07 0.00 -0.34 0.00 0.00 43.02 41.10 1a7b s PHE 21 CO 0.00 0.54 0.14 -1.14 -1.46 0.00 0.00 175.22 173.29 1a7b s GLN 22 N -2.51 0.10 -0.30 10.12 2.00 -1.26 -5.02 119.66 122.79 1a7b s GLN 22 Ca 0.31 0.06 -0.28 0.00 -2.00 0.00 0.00 55.36 53.44 1a7b s GLN 22 Cb -0.12 -1.51 -0.02 0.00 0.80 0.00 0.00 33.01 32.16 1a7b s GLN 22 CO 0.24 -0.64 1.80 1.41 -0.50 0.00 0.00 175.29 177.60 1a7b s MET 23 N 2.21 3.42 0.45 1.67 -2.45 -1.26 -4.98 119.30 118.36 1a7b s MET 23 Ca 0.04 1.53 0.04 0.00 -1.25 0.00 0.00 55.69 56.06 1a7b s MET 23 Cb -0.16 -4.18 -0.05 0.00 1.25 0.00 0.00 34.83 31.69 1a7b s MET 23 CO -0.10 -1.76 0.01 0.95 1.05 0.00 0.00 175.02 175.17 1a7b s THR 24 N 6.65 1.62 -0.01 10.11 -4.23 -1.26 -5.02 115.64 123.49 1a7b s THR 24 Ca 0.80 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.63 1a7b s THR 24 Cb -0.24 -2.62 0.35 0.00 1.34 0.00 0.00 72.50 71.32 1a7b s THR 24 CO 0.33 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.79 1a7b h ASP 25 N 1.59 0.00 -0.21 3.99 3.32 -2.06 -2.44 116.42 120.61 1a7b h ASP 25 Ca -0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 1a7b h ASP 25 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1a7b h ASP 25 CO 0.78 0.00 -0.24 0.44 -1.72 0.00 0.00 179.24 178.50 1a7b h ASP 26 N 0.00 0.69 -2.35 6.45 3.32 -1.97 -3.43 116.42 119.13 1a7b h ASP 26 Ca 0.00 -0.25 -0.53 0.00 0.02 0.00 0.00 57.03 56.27 1a7b h ASP 26 Cb 0.37 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.75 1a7b h ASP 26 CO 0.00 0.91 1.25 -0.63 -1.72 0.00 0.00 179.24 179.05 1a7b s ILE 27 N -4.55 3.01 -0.25 0.35 -1.09 -0.92 -4.88 121.20 112.87 1a7b s ILE 27 Ca -0.08 0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.32 1a7b s ILE 27 Cb 0.13 -3.01 -0.15 0.00 -1.58 0.00 0.00 42.46 37.86 1a7b s ILE 27 CO 0.82 -0.00 -0.25 -0.67 -1.23 0.00 0.00 174.94 173.61 1a7b n ASP 28 N 7.76 2.02 -4.02 3.58 2.03 -1.26 -4.76 116.55 121.90 1a7b n ASP 28 Ca 0.20 -0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.36 1a7b n ASP 28 Cb 0.41 -0.50 -0.13 0.00 -0.72 0.00 0.00 41.12 40.18 1a7b n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a7b s GLU 29 N -2.49 0.52 -0.11 -0.67 2.12 -1.25 -0.24 118.70 116.57 1a7b s GLU 29 Ca -0.34 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 1a7b s GLU 29 Cb 0.10 -0.42 0.05 0.00 0.26 0.00 0.00 34.13 34.12 1a7b s GLU 29 CO 0.54 0.10 0.07 0.08 -0.54 0.00 0.00 175.26 175.51 1a7b s VAL 30 N -0.70 -0.04 -0.19 3.70 1.01 -0.36 -4.98 120.40 118.85 1a7b s VAL 30 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1a7b s VAL 30 Cb -0.06 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1a7b s VAL 30 CO 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 175.10 174.87 1a7b s ARG 31 N 2.13 2.88 -0.04 2.72 1.70 -1.26 -0.41 118.95 126.66 1a7b s ARG 31 Ca 0.03 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 54.25 1a7b s ARG 31 Cb -0.14 -2.61 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 1a7b s ARG 31 CO -0.06 -0.26 0.40 -1.58 -1.08 0.00 0.00 175.30 172.72 1a7b s TRP 32 N 1.27 3.66 -0.12 5.89 0.52 0.19 -4.97 118.94 125.37 1a7b s TRP 32 Ca 0.03 0.92 -0.10 0.00 0.02 0.00 0.00 56.10 56.97 1a7b s TRP 32 Cb -0.14 -2.32 0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1a7b s TRP 32 CO -0.12 0.53 0.32 -1.21 0.02 0.00 0.00 176.95 176.49 1a7b s GLU 33 N -0.63 0.36 -0.40 4.98 2.02 -1.26 -0.93 118.70 122.83 1a7b s GLU 33 Ca 0.23 0.48 -0.07 0.00 0.02 0.00 0.00 54.97 55.63 1a7b s GLU 33 Cb -0.16 0.13 0.07 0.00 0.10 0.00 0.00 34.13 34.27 1a7b s GLU 33 CO 0.11 -0.07 0.21 0.50 0.02 0.00 0.00 175.26 176.04 1a7b s ARG 34 N 0.40 2.52 5.80 1.61 3.52 -0.74 -4.91 118.95 127.14 1a7b s ARG 34 Ca -0.02 -1.44 0.00 0.00 -0.13 0.00 0.00 55.73 54.14 1a7b s ARG 34 Cb -0.04 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1a7b s ARG 34 CO -0.02 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 1a7b n GLY 35 N 4.84 1.84 0.18 8.12 0.00 -1.26 -2.37 105.19 116.54 1a7b n GLY 35 Ca -0.10 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.45 1a7b n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a7b h SER 36 N 5.93 0.00 -2.95 1.61 4.64 -2.03 -3.46 113.55 117.29 1a7b h SER 36 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1a7b h SER 36 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1a7b h SER 36 CO 0.00 0.30 0.79 -0.89 -0.87 0.00 0.00 176.83 176.15 1a7b s THR 37 N -3.11 3.01 -0.32 2.95 2.01 -1.00 -4.98 115.64 114.20 1a7b s THR 37 Ca 0.05 0.73 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 1a7b s THR 37 Cb 0.07 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1a7b s THR 37 CO 0.71 0.06 0.94 -0.22 -0.69 0.00 0.00 174.62 175.42 1a7b s LEU 38 N 1.04 4.01 -0.16 4.42 0.20 -1.26 -1.80 118.68 125.12 1a7b s LEU 38 Ca 0.66 0.83 -0.13 0.00 0.69 0.00 0.00 54.13 56.18 1a7b s LEU 38 Cb -0.40 -3.32 -0.08 0.00 -0.43 0.00 0.00 46.19 41.96 1a7b s LEU 38 CO 0.31 -0.77 -0.07 0.52 -0.29 0.00 0.00 176.35 176.05 1a7b n VAL 39 N 5.76 1.45 -4.16 1.68 0.31 -0.11 -4.96 118.33 118.30 1a7b n VAL 39 Ca 0.08 0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.39 1a7b n VAL 39 Cb 0.48 -2.29 -0.14 0.00 -0.91 0.00 0.00 33.84 30.98 1a7b n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a7b s ALA 40 N -2.62 0.50 -0.04 3.52 0.00 -0.99 -4.99 121.76 117.15 1a7b s ALA 40 Ca -0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1a7b s ALA 40 Cb 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1a7b s ALA 40 CO 0.33 0.09 0.06 -2.00 0.00 0.00 0.00 175.76 174.25 1a7b s GLU 41 N -0.44 -0.03 -0.06 0.00 2.56 -1.26 0.56 118.70 120.04 1a7b s GLU 41 Ca -0.00 0.29 0.05 0.00 0.00 0.00 0.00 54.97 55.31 1a7b s GLU 41 Cb -0.04 -0.31 -0.00 0.00 2.00 0.00 0.00 34.13 35.78 1a7b s GLU 41 CO -0.00 -0.22 -0.21 0.12 -0.56 0.00 0.00 175.26 174.39 1a7b s PHE 42 N 1.47 2.16 -0.18 5.30 5.36 0.45 -4.98 117.98 127.56 1a7b s PHE 42 Ca -0.05 -0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 55.14 1a7b s PHE 42 Cb -0.12 -1.45 0.08 0.00 -0.34 0.00 0.00 43.02 41.19 1a7b s PHE 42 CO -0.04 -0.26 0.37 0.21 -1.46 0.00 0.00 175.22 174.05 1a7b s LYS 43 N 0.09 0.28 -0.04 10.12 2.20 -1.23 -1.22 119.74 129.94 1a7b s LYS 43 Ca -0.08 0.93 -0.23 0.00 -0.36 0.00 0.00 55.97 56.22 1a7b s LYS 43 Cb -0.14 0.20 -0.24 0.00 -1.51 0.00 0.00 37.83 36.14 1a7b s LYS 43 CO 0.05 -0.25 1.04 -0.09 -0.36 0.00 0.00 175.35 175.73 1a7b h ARG 44 N 8.10 0.23 -6.30 4.03 2.43 -0.91 -3.46 114.38 118.50 1a7b h ARG 44 Ca -0.17 -0.25 -0.56 0.00 -0.81 0.00 0.00 59.98 58.18 1a7b h ARG 44 Cb 1.12 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1a7b h ARG 44 CO 0.14 0.97 -0.03 0.21 -1.51 0.00 0.00 179.97 179.75 1a7b s LYS 45 N -3.11 4.14 0.73 0.20 2.20 -1.26 -5.07 119.74 117.57 1a7b s LYS 45 Ca -0.15 0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 56.00 1a7b s LYS 45 Cb 0.01 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1a7b s LYS 45 CO 0.76 0.56 1.15 -2.14 -0.36 0.00 0.00 175.35 175.33 1a7b s PRO 48 N -1.46 2.27 -0.03 4.03 0.02 -1.26 -5.00 135.00 133.57 1a7b s PRO 48 Ca 0.33 1.54 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 1a7b s PRO 48 Cb -0.18 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1a7b s PRO 48 CO 0.19 -1.69 0.65 0.12 -0.33 0.00 0.00 177.00 175.94 1a7b s PHE 49 N -2.27 3.63 -0.04 6.54 5.36 -1.26 -5.06 117.98 124.87 1a7b s PHE 49 Ca 0.69 1.23 0.03 0.00 -0.96 0.00 0.00 56.93 57.92 1a7b s PHE 49 Cb -0.24 -2.71 0.01 0.00 -0.34 0.00 0.00 43.02 39.74 1a7b s PHE 49 CO 0.46 0.22 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.82 1a7b s LEU 50 N 0.28 1.74 0.10 6.12 1.43 -1.26 -4.91 118.68 122.18 1a7b s LEU 50 Ca 0.34 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1a7b s LEU 50 Cb -0.18 -0.73 -0.13 0.00 0.03 0.00 0.00 46.19 45.19 1a7b s LEU 50 CO 0.18 0.07 1.62 0.50 0.23 0.00 0.00 176.35 178.94 1a7b h LYS 51 N 6.59 -0.66 0.00 1.70 3.64 -1.97 -3.46 116.57 122.41 1a7b h LYS 51 Ca -0.33 0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 58.88 1a7b h LYS 51 Cb 1.18 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1a7b h LYS 51 CO 0.48 -0.44 -0.20 -1.13 -2.27 0.00 0.00 179.45 175.89 1a7b n SER 52 N -5.45 0.21 0.13 4.20 3.41 -1.26 -5.02 113.62 109.84 1a7b n SER 52 Ca -0.09 -1.94 0.13 0.00 -0.26 0.00 0.00 58.87 56.70 1a7b n SER 52 Cb 0.35 0.62 0.43 0.00 -0.26 0.00 0.00 64.21 65.35 1a7b n SER 52 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1a7b h GLY 53 N 0.81 0.00 2.00 5.00 0.00 -2.03 -3.10 103.07 105.75 1a7b h GLY 53 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1a7b h GLY 53 CO 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.59 1a7b h ALA 54 N 2.36 1.28 -1.91 3.60 0.00 -1.95 -3.44 119.26 119.20 1a7b h ALA 54 Ca 0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 1a7b h ALA 54 Cb 0.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1a7b h ALA 54 CO 0.00 0.15 -0.43 -0.06 0.00 0.00 0.00 179.25 178.92 1a7b s PHE 55 N -4.18 3.04 -0.30 0.00 0.08 -1.17 -0.25 117.98 115.20 1a7b s PHE 55 Ca -0.03 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 1a7b s PHE 55 Cb 0.13 -1.78 0.16 0.00 -0.57 0.00 0.00 43.02 40.96 1a7b s PHE 55 CO 0.59 0.20 0.84 -2.00 -0.10 0.00 0.00 175.22 174.75 1a7b s GLU 56 N -4.02 0.41 -0.02 0.44 2.12 -0.51 -4.89 118.70 112.23 1a7b s GLU 56 Ca 0.40 0.99 -0.23 0.00 0.36 0.00 0.00 54.97 56.49 1a7b s GLU 56 Cb -0.07 0.59 -0.05 0.00 0.26 0.00 0.00 34.13 34.86 1a7b s GLU 56 CO 0.28 -0.19 0.70 -1.50 -0.54 0.00 0.00 175.26 174.01 1a7b s ILE 57 N 2.68 4.92 0.77 -3.70 2.07 -1.26 -0.95 121.20 125.73 1a7b s ILE 57 Ca -0.02 1.47 -0.10 0.00 -1.41 0.00 0.00 60.65 60.60 1a7b s ILE 57 Cb -0.09 -4.05 0.08 0.00 0.13 0.00 0.00 42.46 38.53 1a7b s ILE 57 CO -0.18 0.32 1.11 -0.76 -1.91 0.00 0.00 174.94 173.52 1a7b s LEU 58 N 0.35 2.65 0.36 8.50 1.43 0.23 -4.96 118.68 127.24 1a7b s LEU 58 Ca 0.37 0.61 0.27 0.00 -1.03 0.00 0.00 54.13 54.35 1a7b s LEU 58 Cb -0.19 -3.16 1.17 0.00 0.03 0.00 0.00 46.19 44.05 1a7b s LEU 58 CO 0.20 -1.80 1.81 0.00 0.23 0.00 0.00 176.35 176.79 1a7b h ALA 59 N -0.87 1.00 -0.53 4.21 0.00 -1.97 -1.81 119.26 119.29 1a7b h ALA 59 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a7b h ALA 59 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a7b h ALA 59 CO 0.62 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.14 1a7b n ASN 60 N -2.51 3.90 0.00 0.00 6.94 -1.26 -4.95 115.26 117.38 1a7b n ASN 60 Ca 0.01 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 1a7b n ASN 60 Cb 0.22 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1a7b n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a7b n GLY 61 N 0.85 2.71 3.68 4.83 0.00 -0.68 -5.04 105.19 111.54 1a7b n GLY 61 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1a7b n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a7b n ASP 62 N 0.00 1.72 -4.71 1.61 8.00 -1.26 -4.56 116.55 117.35 1a7b n ASP 62 Ca 0.00 0.91 -0.37 0.00 0.71 0.00 0.00 54.79 56.04 1a7b n ASP 62 Cb 0.00 -1.48 -0.07 0.00 -0.02 0.00 0.00 41.12 39.55 1a7b n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1a7b s LEU 63 N -2.61 4.23 -0.32 0.64 0.20 -1.26 -0.60 118.68 118.96 1a7b s LEU 63 Ca 0.73 0.53 -0.02 0.00 0.69 0.00 0.00 54.13 56.06 1a7b s LEU 63 Cb -0.43 -2.43 0.06 0.00 -0.43 0.00 0.00 46.19 42.96 1a7b s LEU 63 CO 0.49 0.05 0.03 -0.75 -0.29 0.00 0.00 176.35 175.88 1a7b s LYS 64 N 0.66 2.35 -0.42 1.98 2.20 -0.12 -4.98 119.74 121.40 1a7b s LYS 64 Ca 0.18 -1.36 -0.20 0.00 -0.36 0.00 0.00 55.97 54.23 1a7b s LYS 64 Cb -0.14 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1a7b s LYS 64 CO 0.05 -0.70 0.61 0.42 -0.36 0.00 0.00 175.35 175.38 1a7b s ILE 65 N 1.23 4.87 0.09 5.43 1.01 -1.26 -1.42 121.20 131.15 1a7b s ILE 65 Ca -0.03 0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.39 1a7b s ILE 65 Cb -0.20 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 37.95 1a7b s ILE 65 CO -0.02 -0.53 1.57 0.11 0.00 0.00 0.00 174.94 176.08 1a7b h LYS 66 N 8.80 -0.90 -4.74 2.79 1.57 -0.96 -3.41 116.57 119.72 1a7b h LYS 66 Ca -0.26 0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 57.93 1a7b h LYS 66 Cb 1.10 0.21 -0.37 0.00 0.08 0.00 0.00 32.23 33.25 1a7b h LYS 66 CO 0.87 -0.60 -0.81 -0.80 -0.57 0.00 0.00 179.45 177.54 1a7b s ASN 67 N -4.44 4.03 0.46 0.86 -0.87 -1.26 -5.11 114.94 108.60 1a7b s ASN 67 Ca -0.18 -1.20 -0.24 0.00 -1.57 0.00 0.00 52.86 49.67 1a7b s ASN 67 Cb 0.05 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.25 39.78 1a7b s ASN 67 CO 0.61 -0.17 1.34 -0.22 -2.57 0.00 0.00 177.10 176.09 1a7b s LEU 68 N 1.22 4.08 0.00 0.60 2.96 -1.26 -5.01 118.68 121.27 1a7b s LEU 68 Ca -0.06 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.44 1a7b s LEU 68 Cb -0.18 -4.03 0.02 0.00 0.50 0.00 0.00 46.19 42.50 1a7b s LEU 68 CO -0.07 -1.12 0.31 -0.89 -1.32 0.00 0.00 176.35 173.26 1a7b s THR 69 N -1.28 0.07 0.39 3.68 2.01 -1.26 -5.01 115.64 114.23 1a7b s THR 69 Ca 0.62 -0.54 0.18 0.00 0.31 0.00 0.00 61.69 62.26 1a7b s THR 69 Cb -0.39 -0.71 0.38 0.00 0.01 0.00 0.00 72.50 71.79 1a7b s THR 69 CO 0.50 -0.30 1.75 0.03 -0.69 0.00 0.00 174.62 175.91 1a7b h ARG 70 N 3.67 0.38 0.00 4.92 -0.00 -2.00 0.62 114.38 121.97 1a7b h ARG 70 Ca -0.30 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.08 1a7b h ARG 70 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.06 1a7b h ARG 70 CO 0.42 0.25 -0.33 -0.44 0.00 0.00 0.00 179.97 179.87 1a7b h ASP 71 N 0.40 0.00 0.12 7.04 3.32 -2.00 -2.63 116.42 122.66 1a7b h ASP 71 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 1a7b h ASP 71 Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1a7b h ASP 71 CO -0.35 0.33 0.00 0.47 -1.72 0.00 0.00 179.24 177.97 1a7b n ASP 72 N -3.93 0.00 -2.76 6.45 8.00 0.22 -4.73 116.55 119.80 1a7b n ASP 72 Ca -0.02 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1a7b n ASP 72 Cb 0.40 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1a7b n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a7b n SER 73 N -1.14 -0.41 0.00 -2.24 3.41 -0.99 -4.90 113.62 107.36 1a7b n SER 73 Ca 0.08 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1a7b n SER 73 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1a7b n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a7b n GLY 74 N 3.27 -0.15 3.84 5.00 0.00 -1.20 -4.93 105.19 111.02 1a7b n GLY 74 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1a7b n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7b s THR 75 N -1.14 5.23 0.18 2.61 2.01 -1.26 -2.52 115.64 120.75 1a7b s THR 75 Ca 0.00 0.58 0.07 0.00 0.31 0.00 0.00 61.69 62.65 1a7b s THR 75 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1a7b s THR 75 CO 0.00 0.58 0.01 -0.31 -0.69 0.00 0.00 174.62 174.20 1a7b s TYR 76 N -0.91 2.86 -0.06 4.92 1.51 0.69 -4.95 117.35 121.40 1a7b s TYR 76 Ca 0.20 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1a7b s TYR 76 Cb -0.15 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1a7b s TYR 76 CO 0.09 0.52 -0.07 -0.80 -1.11 0.00 0.00 175.55 174.18 1a7b s ASN 77 N -3.01 1.37 -0.18 2.29 0.01 -1.26 -0.39 114.94 113.77 1a7b s ASN 77 Ca 0.28 -0.20 -0.08 0.00 -0.71 0.00 0.00 52.86 52.16 1a7b s ASN 77 Cb -0.09 -0.61 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 1a7b s ASN 77 CO 0.19 -0.04 0.08 -0.69 -1.51 0.00 0.00 177.10 175.13 1a7b s VAL 78 N 0.97 4.92 -0.14 1.60 1.01 0.05 -4.99 120.40 123.82 1a7b s VAL 78 Ca -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1a7b s VAL 78 Cb -0.15 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1a7b s VAL 78 CO 0.00 0.48 0.03 -0.89 0.00 0.00 0.00 175.10 174.72 1a7b s THR 79 N 0.20 0.38 -0.03 3.92 2.01 -1.26 -0.98 115.64 119.88 1a7b s THR 79 Ca 0.05 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1a7b s THR 79 Cb -0.12 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1a7b s THR 79 CO 0.00 -0.02 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.18 1a7b s VAL 80 N 1.94 3.94 0.03 3.82 1.01 -0.53 -4.98 120.40 125.63 1a7b s VAL 80 Ca 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1a7b s VAL 80 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1a7b s VAL 80 CO -0.07 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.08 1a7b s TYR 81 N -0.97 0.95 0.85 5.22 1.51 -1.26 -1.27 117.35 122.37 1a7b s TYR 81 Ca 0.16 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1a7b s TYR 81 Cb -0.11 -0.57 0.16 0.00 -0.11 0.00 0.00 41.96 41.33 1a7b s TYR 81 CO 0.06 -0.00 1.17 -1.54 -1.11 0.00 0.00 175.55 174.13 1a7b s SER 82 N -0.97 3.75 0.22 2.29 1.04 -0.90 -4.88 113.70 114.24 1a7b s SER 82 Ca -0.01 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 1a7b s SER 82 Cb -0.07 -0.28 0.26 0.00 0.10 0.00 0.00 66.02 66.03 1a7b s SER 82 CO 0.01 -2.30 1.83 0.74 0.98 0.00 0.00 173.24 174.50 1a7b h THR 83 N -1.13 1.02 -0.79 2.02 2.02 -2.02 0.12 112.91 114.15 1a7b h THR 83 Ca -0.41 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 66.57 1a7b h THR 83 Cb 1.26 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1a7b h THR 83 CO 0.41 0.15 0.52 -1.13 0.37 0.00 0.00 175.52 175.84 1a7b h ASN 84 N 0.81 0.70 0.00 4.18 -0.73 -2.06 -3.46 115.58 115.01 1a7b h ASN 84 Ca 0.32 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1a7b h ASN 84 Cb 0.15 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1a7b h ASN 84 CO -0.16 0.43 0.00 0.61 -0.37 0.00 0.00 177.43 177.93 1a7b n GLY 85 N -1.44 0.91 3.77 1.57 0.00 0.41 -5.11 105.19 105.31 1a7b n GLY 85 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1a7b n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a7b s THR 86 N -2.00 3.19 -1.01 2.61 -4.23 -1.26 -4.67 115.64 108.27 1a7b s THR 86 Ca 0.00 0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 61.14 1a7b s THR 86 Cb 0.00 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.44 1a7b s THR 86 CO 0.00 -0.04 1.64 -0.60 -0.54 0.00 0.00 174.62 175.08 1a7b s ARG 87 N -2.80 3.26 0.08 3.99 3.52 -1.26 -2.13 118.95 123.61 1a7b s ARG 87 Ca 0.65 -0.94 -0.23 0.00 -0.13 0.00 0.00 55.73 55.08 1a7b s ARG 87 Cb -0.27 -5.28 -0.14 0.00 -1.56 0.00 0.00 34.95 27.70 1a7b s ARG 87 CO 0.32 -2.64 1.67 0.82 -0.81 0.00 0.00 175.30 174.66 1a7b h ILE 88 N 6.82 1.08 -3.94 4.11 1.08 -1.53 -3.46 117.51 121.66 1a7b h ILE 88 Ca 0.19 -0.22 -0.36 0.00 -0.39 0.00 0.00 64.86 64.09 1a7b h ILE 88 Cb 0.99 1.14 -0.21 0.00 -3.07 0.00 0.00 36.82 35.67 1a7b h ILE 88 CO 1.36 0.06 -0.76 -0.22 -0.69 0.00 0.00 178.15 177.90 1a7b s LEU 89 N -10.02 2.28 -0.40 1.44 0.20 -0.98 -4.99 118.68 106.20 1a7b s LEU 89 Ca -0.13 -0.61 0.05 0.00 0.69 0.00 0.00 54.13 54.13 1a7b s LEU 89 Cb 0.06 -0.37 0.17 0.00 -0.43 0.00 0.00 46.19 45.61 1a7b s LEU 89 CO 0.67 -0.14 0.51 -0.62 -0.29 0.00 0.00 176.35 176.49 1a7b s ASP 90 N -1.73 -0.13 0.30 3.68 2.15 -1.26 -1.46 116.67 118.22 1a7b s ASP 90 Ca -0.04 -1.38 0.09 0.00 0.43 0.00 0.00 52.55 51.65 1a7b s ASP 90 Cb -0.09 1.19 -0.05 0.00 -0.30 0.00 0.00 42.92 43.66 1a7b s ASP 90 CO 0.01 -0.20 0.00 -0.54 -0.17 0.00 0.00 175.17 174.28 1a7b s LYS 91 N 1.44 2.18 0.03 4.34 -0.14 -0.15 -4.97 119.74 122.46 1a7b s LYS 91 Ca 0.19 -1.57 0.07 0.00 -1.36 0.00 0.00 55.97 53.30 1a7b s LYS 91 Cb -0.08 -2.06 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1a7b s LYS 91 CO -0.05 0.26 -0.21 0.00 -0.76 0.00 0.00 175.35 174.58 1a7b s ALA 92 N -2.41 1.80 -0.03 5.17 0.00 -1.26 -0.77 121.76 124.25 1a7b s ALA 92 Ca 0.33 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1a7b s ALA 92 Cb -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1a7b s ALA 92 CO 0.20 0.42 -0.10 -0.51 0.00 0.00 0.00 175.76 175.76 1a7b s LEU 93 N -0.97 1.80 -0.66 0.00 1.43 0.47 -4.98 118.68 115.77 1a7b s LEU 93 Ca 0.08 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1a7b s LEU 93 Cb -0.09 -0.63 0.17 0.00 0.03 0.00 0.00 46.19 45.68 1a7b s LEU 93 CO 0.01 0.08 0.57 -1.81 0.23 0.00 0.00 176.35 175.43 1a7b s ASP 94 N 0.19 6.20 -0.26 2.29 1.11 -1.26 -0.23 116.67 124.71 1a7b s ASP 94 Ca -0.04 -2.34 -0.29 0.00 0.18 0.00 0.00 52.55 50.07 1a7b s ASP 94 Cb -0.09 -2.12 -0.00 0.00 1.07 0.00 0.00 42.92 41.77 1a7b s ASP 94 CO 0.01 -0.64 1.31 -0.22 1.18 0.00 0.00 175.17 176.80 1a7b s LEU 95 N 0.73 3.95 0.01 1.23 2.96 -1.05 -5.01 118.68 121.51 1a7b s LEU 95 Ca 0.12 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 1a7b s LEU 95 Cb -0.20 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1a7b s LEU 95 CO -0.04 -1.01 -0.24 -0.13 -1.32 0.00 0.00 176.35 173.61 1a7b s ARG 96 N 4.03 1.82 -0.12 1.98 0.52 -1.26 -3.22 118.95 122.70 1a7b s ARG 96 Ca 0.57 -0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 54.64 1a7b s ARG 96 Cb -0.18 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1a7b s ARG 96 CO 0.21 0.50 0.51 0.42 0.02 0.00 0.00 175.30 176.96 1a7b s ILE 97 N -0.67 5.16 0.43 1.52 1.09 -1.26 -5.07 121.20 122.40 1a7b s ILE 97 Ca 0.10 1.01 -0.22 0.00 -1.10 0.00 0.00 60.65 60.43 1a7b s ILE 97 Cb -0.09 -3.84 -0.09 0.00 -1.06 0.00 0.00 42.46 37.37 1a7b s ILE 97 CO 0.00 0.30 1.03 -0.76 -0.10 0.00 0.00 174.94 175.41 1a7b s LEU 98 N 0.78 4.01 0.00 2.97 1.43 -1.26 -5.19 118.68 121.41 1a7b s LEU 98 Ca 0.27 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1a7b s LEU 98 Cb -0.15 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1a7b s LEU 98 CO 0.11 -0.58 0.00 -0.62 0.23 0.00 0.00 176.35 175.49