#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bh8 n GLY 17 N 0.00 1.65 3.72 0.46 0.00 -0.61 -4.95 105.19 105.47 2bh8 n GLY 17 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2bh8 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bh8 s LYS 18 N 0.00 4.45 -0.19 1.61 2.20 -1.26 -0.51 119.74 126.03 2bh8 s LYS 18 Ca 0.00 1.81 -0.02 0.00 -0.36 0.00 0.00 55.97 57.40 2bh8 s LYS 18 Cb 0.00 -3.31 0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2bh8 s LYS 18 CO 0.00 -0.21 0.01 1.41 -0.36 0.00 0.00 175.35 176.20 2bh8 s MET 19 N 0.71 0.89 0.11 4.03 -2.45 -0.28 -4.93 119.30 117.37 2bh8 s MET 19 Ca 0.57 -0.50 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 2bh8 s MET 19 Cb -0.31 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.60 2bh8 s MET 19 CO 0.31 -0.60 0.08 0.95 1.05 0.00 0.00 175.02 176.81 2bh8 s THR 20 N 1.76 4.40 0.00 10.11 -4.23 -1.26 -0.04 115.64 126.38 2bh8 s THR 20 Ca -0.01 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2bh8 s THR 20 Cb -0.17 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2bh8 s THR 20 CO -0.07 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2bh8 n GLY 21 N 0.24 1.87 3.20 3.99 0.00 0.16 -1.31 105.19 113.35 2bh8 n GLY 21 Ca -0.09 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2bh8 n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bh8 s ILE 22 N -2.61 1.32 -0.08 -0.61 -4.36 -0.10 -1.48 121.20 113.29 2bh8 s ILE 22 Ca 0.00 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 2bh8 s ILE 22 Cb 0.00 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 2bh8 s ILE 22 CO 0.00 -0.10 1.13 -0.69 0.24 0.00 0.00 174.94 175.52 2bh8 s VAL 23 N -1.12 4.45 -0.08 8.37 1.01 -0.12 -0.68 120.40 132.23 2bh8 s VAL 23 Ca 0.02 1.75 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 2bh8 s VAL 23 Cb -0.09 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 31.87 2bh8 s VAL 23 CO 0.03 -0.00 0.53 0.11 0.00 0.00 0.00 175.10 175.76 2bh8 h LYS 24 N 7.32 0.33 -2.21 2.72 1.57 -1.09 0.14 116.57 125.36 2bh8 h LYS 24 Ca -0.33 -0.57 0.01 0.00 -1.87 0.00 0.00 60.65 57.89 2bh8 h LYS 24 Cb 1.15 0.21 -0.17 0.00 0.08 0.00 0.00 32.23 33.50 2bh8 h LYS 24 CO 0.87 1.27 0.32 -0.46 -0.57 0.00 0.00 179.45 180.89 2bh8 s TRP 25 N -2.56 -0.51 -0.09 -1.35 -0.00 -1.02 -4.82 118.94 108.58 2bh8 s TRP 25 Ca -0.19 0.66 -0.21 0.00 -0.00 0.00 0.00 56.10 56.36 2bh8 s TRP 25 Cb 0.06 0.48 0.05 0.00 -0.00 0.00 0.00 33.47 34.05 2bh8 s TRP 25 CO 0.81 -0.60 0.50 0.12 -0.00 0.00 0.00 176.95 177.78 2bh8 s PHE 26 N -2.16 -0.47 -0.39 5.86 5.36 -1.26 -0.86 117.98 124.06 2bh8 s PHE 26 Ca -0.03 0.95 0.02 0.00 -0.96 0.00 0.00 56.93 56.91 2bh8 s PHE 26 Cb -0.01 0.22 0.16 0.00 -0.34 0.00 0.00 43.02 43.06 2bh8 s PHE 26 CO -0.01 -0.41 0.30 1.21 -1.46 0.00 0.00 175.22 174.85 2bh8 s ASN 27 N -0.67 1.95 0.36 6.13 3.84 0.35 -4.99 114.94 121.91 2bh8 s ASN 27 Ca -0.08 -2.65 0.19 0.00 0.21 0.00 0.00 52.86 50.53 2bh8 s ASN 27 Cb -0.03 -0.34 0.57 0.00 -0.55 0.00 0.00 41.25 40.90 2bh8 s ASN 27 CO 0.05 -0.23 1.68 0.00 -2.79 0.00 0.00 177.10 175.81 2bh8 h ALA 28 N 6.21 0.92 -0.86 1.71 0.00 -1.89 -0.57 119.26 124.77 2bh8 h ALA 28 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2bh8 h ALA 28 Cb 0.94 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2bh8 h ALA 28 CO 0.31 0.48 0.50 0.22 0.00 0.00 0.00 179.25 180.77 2bh8 h ASP 29 N 0.00 1.05 -0.02 0.00 3.58 -1.93 -3.05 116.42 116.05 2bh8 h ASP 29 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2bh8 h ASP 29 Cb 0.99 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2bh8 h ASP 29 CO 0.05 0.82 -0.21 0.29 -2.88 0.00 0.00 179.24 177.30 2bh8 n LYS 30 N -4.36 1.63 -2.13 0.28 4.76 -1.05 -5.01 118.16 112.29 2bh8 n LYS 30 Ca 0.09 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 2bh8 n LYS 30 Cb 0.07 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2bh8 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bh8 n GLY 31 N 1.21 0.56 3.22 0.72 0.00 -0.27 -4.89 105.19 105.73 2bh8 n GLY 31 Ca 0.10 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 2bh8 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bh8 s PHE 32 N -2.29 1.41 0.22 1.61 0.40 -0.91 -0.46 117.98 117.97 2bh8 s PHE 32 Ca 0.00 -0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 55.64 2bh8 s PHE 32 Cb 0.00 -0.78 0.04 0.00 0.51 0.00 0.00 43.02 42.79 2bh8 s PHE 32 CO 0.00 0.12 0.73 0.20 0.70 0.00 0.00 175.22 176.97 2bh8 s GLY 33 N -1.91 -0.25 -0.04 4.36 0.00 -0.42 -0.50 107.32 108.56 2bh8 s GLY 33 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 2bh8 s GLY 33 CO 0.03 0.00 0.02 -0.12 0.00 0.00 0.00 173.10 173.03 2bh8 s PHE 34 N -3.76 0.24 0.01 1.90 5.36 -0.04 -0.54 117.98 121.15 2bh8 s PHE 34 Ca 0.09 0.07 0.04 0.00 -0.96 0.00 0.00 56.93 56.17 2bh8 s PHE 34 Cb -0.04 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.16 2bh8 s PHE 34 CO 0.01 -0.17 -0.11 0.42 -1.46 0.00 0.00 175.22 173.90 2bh8 s ILE 35 N 1.52 0.90 -0.48 3.12 1.01 -0.29 -0.43 121.20 126.56 2bh8 s ILE 35 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 2bh8 s ILE 35 Cb -0.13 -0.79 0.09 0.00 0.01 0.00 0.00 42.46 41.64 2bh8 s ILE 35 CO -0.03 0.12 0.40 -0.89 0.00 0.00 0.00 174.94 174.54 2bh8 s THR 36 N -0.52 5.07 0.63 2.92 2.01 0.14 -0.85 115.64 125.05 2bh8 s THR 36 Ca 0.02 -1.23 -0.19 0.00 0.31 0.00 0.00 61.69 60.60 2bh8 s THR 36 Cb -0.06 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2bh8 s THR 36 CO 0.00 -0.65 1.31 -2.84 -0.69 0.00 0.00 174.62 171.76 2bh8 s PRO 37 N 1.60 2.65 0.29 4.92 0.02 -1.26 -0.92 135.00 142.30 2bh8 s PRO 37 Ca 0.04 2.11 0.07 0.00 0.02 0.00 0.00 61.00 63.24 2bh8 s PRO 37 Cb -0.26 -1.92 0.45 0.00 0.02 0.00 0.00 34.50 32.79 2bh8 s PRO 37 CO 0.05 -1.53 1.69 -0.44 -0.33 0.00 0.00 177.00 176.44 2bh8 h ASP 38 N 0.72 0.21 -3.07 2.53 3.32 -1.55 -3.44 116.42 115.14 2bh8 h ASP 38 Ca -0.51 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 55.85 2bh8 h ASP 38 Cb 1.33 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 2bh8 h ASP 38 CO 0.54 0.63 -0.33 -1.81 -1.72 0.00 0.00 179.24 176.55 2bh8 s ASP 39 N -6.88 6.52 0.11 6.45 1.01 -1.26 -5.01 116.67 117.61 2bh8 s ASP 39 Ca -0.04 0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.83 2bh8 s ASP 39 Cb 0.13 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2bh8 s ASP 39 CO 0.77 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.90 2bh8 n GLY 40 N 0.55 -1.60 0.82 0.21 0.00 -1.26 -4.67 105.19 99.23 2bh8 n GLY 40 Ca -0.06 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2bh8 n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bh8 n SER 41 N -2.19 3.17 -4.27 1.61 3.41 -1.26 -4.92 113.62 109.17 2bh8 n SER 41 Ca -0.00 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.29 2bh8 n SER 41 Cb 0.19 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 63.70 2bh8 n SER 41 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bh8 s LYS 42 N -1.00 3.21 0.83 4.33 1.02 -1.26 -5.12 119.74 121.75 2bh8 s LYS 42 Ca 0.29 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 2bh8 s LYS 42 Cb 0.15 -2.56 0.09 0.00 -0.52 0.00 0.00 37.83 34.99 2bh8 s LYS 42 CO 0.20 0.08 1.10 -0.51 -0.92 0.00 0.00 175.35 175.30 2bh8 s ASP 43 N 0.65 4.15 -0.07 2.83 1.01 -1.26 -4.46 116.67 119.52 2bh8 s ASP 43 Ca -0.09 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.56 2bh8 s ASP 43 Cb -0.16 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2bh8 s ASP 43 CO 0.02 -2.20 -0.04 0.54 0.21 0.00 0.00 175.17 173.71 2bh8 s VAL 44 N -3.07 0.60 -0.02 -1.27 0.11 -0.03 -5.00 120.40 111.71 2bh8 s VAL 44 Ca 0.62 -0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 59.34 2bh8 s VAL 44 Cb -0.16 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2bh8 s VAL 44 CO 0.55 0.27 0.74 -0.36 -3.33 0.00 0.00 175.10 172.98 2bh8 s PHE 45 N 1.41 3.64 0.01 1.54 0.08 -1.26 -1.14 117.98 122.26 2bh8 s PHE 45 Ca -0.03 1.36 0.06 0.00 0.12 0.00 0.00 56.93 58.44 2bh8 s PHE 45 Cb -0.13 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 2bh8 s PHE 45 CO -0.03 0.15 -0.16 0.14 -0.10 0.00 0.00 175.22 175.21 2bh8 s VAL 46 N 0.50 2.90 -0.10 -0.44 -7.23 0.29 -4.97 120.40 111.36 2bh8 s VAL 46 Ca 0.39 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2bh8 s VAL 46 Cb -0.19 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2bh8 s VAL 46 CO 0.21 0.41 -0.11 -2.28 -0.31 0.00 0.00 175.10 173.01 2bh8 s HIS 47 N -0.88 1.61 0.03 2.82 2.46 -1.26 -1.31 115.29 118.77 2bh8 s HIS 47 Ca 0.14 -0.73 -0.03 0.00 0.47 0.00 0.00 55.06 54.90 2bh8 s HIS 47 Cb -0.11 -1.23 -0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2bh8 s HIS 47 CO 0.04 -0.43 0.04 -0.59 -2.47 0.00 0.00 174.74 171.33 2bh8 s PHE 48 N 1.17 0.26 0.00 3.88 -0.12 0.39 -5.01 117.98 118.56 2bh8 s PHE 48 Ca -0.04 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 2bh8 s PHE 48 Cb -0.14 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.05 2bh8 s PHE 48 CO -0.03 -0.31 0.00 -1.13 -0.05 0.00 0.00 175.22 173.70 2bh8 n SER 49 N 0.94 1.82 0.30 1.98 3.41 -1.26 -4.46 113.62 116.35 2bh8 n SER 49 Ca -0.20 -0.94 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 2bh8 n SER 49 Cb 0.58 0.00 0.94 0.00 -0.26 0.00 0.00 64.21 65.47 2bh8 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bh8 h ALA 50 N 1.00 1.15 -0.86 7.33 0.00 -1.95 -1.41 119.26 124.53 2bh8 h ALA 50 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2bh8 h ALA 50 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2bh8 h ALA 50 CO 0.00 0.04 0.50 0.78 0.00 0.00 0.00 179.25 180.57 2bh8 h GLY 51 N 0.63 1.36 0.00 0.00 0.00 -1.95 -0.81 103.07 102.29 2bh8 h GLY 51 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2bh8 h GLY 51 CO 0.00 0.12 -1.87 -1.14 0.00 0.00 0.00 176.54 173.66 2bh8 n SER 52 N -4.73 1.21 -0.00 0.19 3.41 -0.99 -4.68 113.62 108.03 2bh8 n SER 52 Ca 0.15 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.85 2bh8 n SER 52 Cb 0.30 1.42 -0.11 0.00 -0.26 0.00 0.00 64.21 65.56 2bh8 n SER 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bh8 n SER 53 N -2.27 0.83 0.00 4.04 3.41 -0.57 -5.04 113.62 114.04 2bh8 n SER 53 Ca -0.12 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2bh8 n SER 53 Cb 0.65 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 2bh8 n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bh8 n GLY 54 N 1.44 0.53 0.22 5.00 0.00 -0.31 -4.81 105.19 107.25 2bh8 n GLY 54 Ca 0.02 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 2bh8 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bh8 h ALA 55 N 0.00 0.34 -2.06 4.61 0.00 -1.96 -3.41 119.26 116.78 2bh8 h ALA 55 Ca 0.00 -0.55 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 2bh8 h ALA 55 Cb 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 17.84 2bh8 h ALA 55 CO 0.00 0.61 0.45 0.00 0.00 0.00 0.00 179.25 180.31 2bh8 n ALA 56 N -2.58 0.24 -1.99 0.00 0.00 -1.26 -4.89 120.51 110.03 2bh8 n ALA 56 Ca -0.06 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2bh8 n ALA 56 Cb 0.67 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 2bh8 n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bh8 s VAL 57 N -0.12 3.21 -0.04 0.00 1.01 -1.26 -5.00 120.40 118.20 2bh8 s VAL 57 Ca 0.70 0.61 0.04 0.00 0.00 0.00 0.00 61.98 63.33 2bh8 s VAL 57 Cb -0.74 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2bh8 s VAL 57 CO 0.51 -0.01 -0.14 0.00 0.00 0.00 0.00 175.10 175.46 2bh8 s ARG 58 N 2.73 1.45 0.82 2.72 1.70 -1.26 -5.15 118.95 121.97 2bh8 s ARG 58 Ca 0.72 -0.49 -0.12 0.00 -0.47 0.00 0.00 55.73 55.37 2bh8 s ARG 58 Cb -0.38 -1.29 0.09 0.00 -0.57 0.00 0.00 34.95 32.80 2bh8 s ARG 58 CO 0.31 0.20 1.19 0.20 -1.08 0.00 0.00 175.30 176.12 2bh8 s GLY 59 N 0.08 1.61 0.66 3.88 0.00 -1.26 -4.74 107.32 107.56 2bh8 s GLY 59 Ca -0.03 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 2bh8 s GLY 59 CO 0.01 -0.20 1.00 0.70 0.00 0.00 0.00 173.10 174.61 2bh8 n ASN 60 N -3.36 0.77 -4.88 1.64 5.03 -1.26 -4.95 115.26 108.26 2bh8 n ASN 60 Ca 0.09 0.75 -0.30 0.00 0.87 0.00 0.00 54.58 55.99 2bh8 n ASN 60 Cb 0.61 -1.41 0.06 0.00 -1.02 0.00 0.00 39.78 38.01 2bh8 n ASN 60 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2bh8 s PRO 61 N -3.06 2.60 0.38 3.52 0.04 -1.26 -5.04 135.00 132.18 2bh8 s PRO 61 Ca 0.76 0.41 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2bh8 s PRO 61 Cb -0.38 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2bh8 s PRO 61 CO 0.47 -1.21 1.08 -1.14 0.04 0.00 0.00 177.00 176.24 2bh8 s GLN 62 N -5.38 4.22 0.24 4.56 0.74 -1.26 -4.91 119.66 117.88 2bh8 s GLN 62 Ca 0.59 1.61 -0.31 0.00 0.05 0.00 0.00 55.36 57.30 2bh8 s GLN 62 Cb -0.11 -2.67 -0.13 0.00 1.10 0.00 0.00 33.01 31.20 2bh8 s GLN 62 CO 0.52 -0.12 1.46 1.04 -0.55 0.00 0.00 175.29 177.64 2bh8 n GLN 63 N 0.16 2.19 -0.08 1.67 6.02 -1.26 -0.88 117.38 125.20 2bh8 n GLN 63 Ca 0.04 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 2bh8 n GLN 63 Cb 0.48 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.27 2bh8 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bh8 n GLY 64 N 2.29 1.70 3.89 1.08 0.00 0.50 -4.97 105.19 109.68 2bh8 n GLY 64 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2bh8 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bh8 s ASP 65 N -3.19 3.85 0.47 1.61 -1.08 -0.05 -4.61 116.67 113.67 2bh8 s ASP 65 Ca 0.00 0.62 -0.20 0.00 -0.52 0.00 0.00 52.55 52.45 2bh8 s ASP 65 Cb 0.00 -0.96 -0.09 0.00 -1.46 0.00 0.00 42.92 40.41 2bh8 s ASP 65 CO 0.00 -2.30 1.00 -0.13 0.52 0.00 0.00 175.17 174.26 2bh8 s ARG 66 N -5.65 3.96 -0.04 4.34 1.81 -1.26 -0.94 118.95 121.16 2bh8 s ARG 66 Ca 0.66 1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 55.84 2bh8 s ARG 66 Cb -0.09 -2.13 0.01 0.00 -0.45 0.00 0.00 34.95 32.30 2bh8 s ARG 66 CO 0.51 -0.27 0.18 0.54 -0.68 0.00 0.00 175.30 175.58 2bh8 s VAL 67 N -2.11 0.03 0.10 3.52 0.11 -0.55 -4.81 120.40 116.68 2bh8 s VAL 67 Ca 0.65 -0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.52 2bh8 s VAL 67 Cb -0.13 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2bh8 s VAL 67 CO 0.18 -0.14 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.02 2bh8 s GLU 68 N -0.46 1.03 0.32 1.54 2.02 -1.26 -0.66 118.70 121.22 2bh8 s GLU 68 Ca -0.06 -1.11 -0.03 0.00 0.02 0.00 0.00 54.97 53.79 2bh8 s GLU 68 Cb -0.04 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.00 2bh8 s GLU 68 CO 0.01 0.27 0.43 0.20 0.02 0.00 0.00 175.26 176.18 2bh8 s GLY 69 N -1.92 1.42 -0.10 -1.39 0.00 0.95 -4.99 107.32 101.30 2bh8 s GLY 69 Ca 0.04 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.29 2bh8 s GLY 69 CO 0.04 -1.02 -0.16 1.25 0.00 0.00 0.00 173.10 173.21 2bh8 s LYS 70 N -3.32 2.21 0.18 2.90 2.20 -1.26 -1.13 119.74 121.52 2bh8 s LYS 70 Ca 0.31 -0.57 0.10 0.00 -0.36 0.00 0.00 55.97 55.45 2bh8 s LYS 70 Cb 0.00 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 2bh8 s LYS 70 CO 0.19 -0.01 -0.14 0.96 -0.36 0.00 0.00 175.35 175.99 2bh8 s ILE 71 N 0.82 2.93 -0.00 5.43 -4.36 0.33 -4.99 121.20 121.36 2bh8 s ILE 71 Ca -0.10 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2bh8 s ILE 71 Cb -0.16 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2bh8 s ILE 71 CO 0.01 -0.09 -0.06 -0.54 0.24 0.00 0.00 174.94 174.50 2bh8 s LYS 72 N -2.72 0.51 0.45 0.37 1.02 -1.26 -1.57 119.74 116.54 2bh8 s LYS 72 Ca 0.23 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.74 2bh8 s LYS 72 Cb -0.09 -0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 36.66 2bh8 s LYS 72 CO 0.13 0.13 1.39 -1.12 -0.92 0.00 0.00 175.35 174.96 2bh8 s SER 73 N -0.18 5.92 -0.63 2.83 0.01 -1.26 -4.90 113.70 115.49 2bh8 s SER 73 Ca 0.02 2.84 -0.21 0.00 1.31 0.00 0.00 55.95 59.91 2bh8 s SER 73 Cb -0.03 -2.65 0.09 0.00 0.21 0.00 0.00 66.02 63.65 2bh8 s SER 73 CO -0.00 -1.14 0.83 -0.63 0.41 0.00 0.00 173.24 172.71 2bh8 s ILE 74 N -1.23 4.59 -0.15 1.44 1.01 -1.26 -4.88 121.20 120.72 2bh8 s ILE 74 Ca 0.61 -0.71 0.19 0.00 0.00 0.00 0.00 60.65 60.74 2bh8 s ILE 74 Cb -0.42 -4.58 -0.27 0.00 0.01 0.00 0.00 42.46 37.20 2bh8 s ILE 74 CO 0.54 -1.28 0.18 0.35 0.00 0.00 0.00 174.94 174.72 2bh8 n THR 75 N 5.72 1.02 -3.81 2.92 -2.24 -1.26 -4.84 114.28 111.78 2bh8 n THR 75 Ca -0.07 -0.76 -0.36 0.00 -2.27 0.00 0.00 64.05 60.59 2bh8 n THR 75 Cb 0.44 -0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 2bh8 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2bh8 s ASP 76 N -5.21 5.15 0.14 3.42 1.11 -1.26 -5.06 116.67 114.96 2bh8 s ASP 76 Ca -0.09 -1.69 -0.10 0.00 0.18 0.00 0.00 52.55 50.85 2bh8 s ASP 76 Cb 0.08 -1.80 -0.00 0.00 1.07 0.00 0.00 42.92 42.27 2bh8 s ASP 76 CO 0.84 -0.43 0.28 0.72 1.18 0.00 0.00 175.17 177.76 2bh8 s PHE 77 N 1.21 0.29 -0.05 4.23 -0.12 -1.26 -1.47 117.98 120.80 2bh8 s PHE 77 Ca 0.03 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.29 2bh8 s PHE 77 Cb -0.21 -0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.15 2bh8 s PHE 77 CO -0.02 -0.68 -0.19 0.20 -0.05 0.00 0.00 175.22 174.47 2bh8 s GLY 78 N -2.93 1.01 -0.29 1.99 0.00 -0.37 -4.75 107.32 101.97 2bh8 s GLY 78 Ca 0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 2bh8 s GLY 78 CO -0.03 -0.41 0.07 -0.42 0.00 0.00 0.00 173.10 172.30 2bh8 s ILE 79 N 0.01 3.92 0.09 0.90 1.01 -1.26 -1.02 121.20 124.85 2bh8 s ILE 79 Ca -0.04 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 2bh8 s ILE 79 Cb -0.12 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 2bh8 s ILE 79 CO 0.03 0.10 1.03 -0.36 0.00 0.00 0.00 174.94 175.73 2bh8 s PHE 80 N 1.50 3.68 -0.16 3.97 0.40 0.11 -4.97 117.98 122.50 2bh8 s PHE 80 Ca 0.03 1.67 -0.02 0.00 -0.60 0.00 0.00 56.93 58.00 2bh8 s PHE 80 Cb -0.17 -3.17 -0.02 0.00 0.51 0.00 0.00 43.02 40.17 2bh8 s PHE 80 CO 0.02 -0.23 -0.08 0.42 0.70 0.00 0.00 175.22 176.06 2bh8 s ILE 81 N 0.31 3.41 0.75 0.64 -1.09 -1.26 -0.48 121.20 123.49 2bh8 s ILE 81 Ca 0.50 -0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 2bh8 s ILE 81 Cb -0.25 -2.49 0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2bh8 s ILE 81 CO 0.30 0.49 1.13 -0.83 -1.23 0.00 0.00 174.94 174.80 2bh8 s GLY 82 N 0.67 1.61 0.31 6.18 0.00 -0.45 -4.85 107.32 110.78 2bh8 s GLY 82 Ca -0.04 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.26 2bh8 s GLY 82 CO 0.02 -0.06 1.74 1.41 0.00 0.00 0.00 173.10 176.22 2bh8 h LEU 83 N -0.83 0.66 0.00 0.66 3.38 -1.99 0.49 115.31 117.67 2bh8 h LEU 83 Ca -0.45 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2bh8 h LEU 83 Cb 1.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2bh8 h LEU 83 CO 0.65 0.16 0.00 -0.90 0.09 0.00 0.00 178.44 178.44 2bh8 n ASP 84 N -4.86 0.00 0.00 -0.43 5.75 -1.26 -4.90 116.55 110.85 2bh8 n ASP 84 Ca 0.24 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 2bh8 n ASP 84 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2bh8 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bh8 n GLY 85 N 0.92 0.75 3.29 6.12 0.00 0.17 -5.07 105.19 111.38 2bh8 n GLY 85 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2bh8 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bh8 n GLY 86 N -2.29 -0.89 3.46 -0.02 0.00 -1.26 -4.65 105.19 99.54 2bh8 n GLY 86 Ca 0.00 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2bh8 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bh8 s ILE 87 N -3.24 4.29 -2.41 -0.61 1.01 -1.26 -1.34 121.20 117.63 2bh8 s ILE 87 Ca 0.62 -0.30 0.23 0.00 0.00 0.00 0.00 60.65 61.20 2bh8 s ILE 87 Cb -0.02 -4.69 0.44 0.00 0.01 0.00 0.00 42.46 38.20 2bh8 s ILE 87 CO 0.43 -1.47 1.43 0.47 0.00 0.00 0.00 174.94 175.80 2bh8 n ASP 88 N 7.80 3.21 0.00 3.58 9.92 0.37 -4.95 116.55 136.47 2bh8 n ASP 88 Ca -0.03 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 2bh8 n ASP 88 Cb 0.46 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2bh8 n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bh8 n GLY 89 N 1.46 3.23 2.80 0.44 0.00 -1.22 -4.87 105.19 107.03 2bh8 n GLY 89 Ca 0.19 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2bh8 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bh8 s LEU 90 N 0.00 0.79 0.13 0.99 2.96 -1.26 -0.71 118.68 121.58 2bh8 s LEU 90 Ca 0.00 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2bh8 s LEU 90 Cb 0.00 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 2bh8 s LEU 90 CO 0.00 -0.16 -0.12 0.68 -1.32 0.00 0.00 176.35 175.43 2bh8 s VAL 91 N 1.69 1.24 0.23 1.68 -7.23 -0.19 -4.98 120.40 112.84 2bh8 s VAL 91 Ca 0.01 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 2bh8 s VAL 91 Cb -0.13 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 2bh8 s VAL 91 CO -0.04 -0.58 1.11 -1.00 -0.31 0.00 0.00 175.10 174.28 2bh8 s HIS 92 N -2.69 3.57 -0.36 2.82 3.76 -1.26 -1.24 115.29 119.89 2bh8 s HIS 92 Ca 0.12 1.63 -0.06 0.00 -0.15 0.00 0.00 55.06 56.60 2bh8 s HIS 92 Cb -0.02 -3.29 0.06 0.00 1.11 0.00 0.00 32.58 30.44 2bh8 s HIS 92 CO 0.02 -0.63 0.14 -1.17 -0.85 0.00 0.00 174.74 172.25 2bh8 s LEU 93 N -0.89 4.60 0.09 0.89 2.96 -0.54 -4.76 118.68 121.02 2bh8 s LEU 93 Ca 0.47 -1.36 0.13 0.00 -0.22 0.00 0.00 54.13 53.15 2bh8 s LEU 93 Cb -0.31 -1.87 -0.14 0.00 0.50 0.00 0.00 46.19 44.36 2bh8 s LEU 93 CO 0.38 -0.40 1.02 0.28 -1.32 0.00 0.00 176.35 176.31 2bh8 h SER 94 N 8.22 0.00 -4.60 3.68 0.02 -1.96 -3.43 113.55 115.48 2bh8 h SER 94 Ca -0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2bh8 h SER 94 Cb 1.08 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.41 2bh8 h SER 94 CO 0.64 0.79 0.30 -0.62 -1.14 0.00 0.00 176.83 176.81 2bh8 s ASP 95 N -6.24 -0.57 -0.05 3.07 2.15 -1.26 -5.17 116.67 108.59 2bh8 s ASP 95 Ca -0.01 0.68 -0.05 0.00 0.43 0.00 0.00 52.55 53.60 2bh8 s ASP 95 Cb 0.09 0.54 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 2bh8 s ASP 95 CO 0.80 -0.49 0.14 -0.51 -0.17 0.00 0.00 175.17 174.95 2bh8 s ILE 96 N -1.01 -0.00 0.08 4.11 2.07 -1.26 -5.18 121.20 120.02 2bh8 s ILE 96 Ca -0.07 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 2bh8 s ILE 96 Cb -0.01 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.38 2bh8 s ILE 96 CO 0.06 0.00 0.23 -0.94 -1.91 0.00 0.00 174.94 172.38 2bh8 s SER 97 N 0.11 0.05 0.20 4.50 1.04 -1.26 -5.18 113.70 113.17 2bh8 s SER 97 Ca -0.00 -0.54 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 2bh8 s SER 97 Cb -0.01 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2bh8 s SER 97 CO -0.00 -0.72 0.37 -1.66 0.98 0.00 0.00 173.24 172.21 2bh8 s TRP 98 N -3.60 0.41 0.55 5.02 -2.14 -1.26 -5.15 118.94 112.78 2bh8 s TRP 98 Ca 0.03 -0.76 -0.20 0.00 2.66 0.00 0.00 56.10 57.83 2bh8 s TRP 98 Cb 0.03 0.03 -0.05 0.00 -3.10 0.00 0.00 33.47 30.38 2bh8 s TRP 98 CO -0.10 -0.84 1.16 0.00 -2.66 0.00 0.00 176.95 174.51 2bh8 s ALA 99 N -4.00 2.69 0.13 2.67 0.00 -1.26 -5.01 121.76 116.98 2bh8 s ALA 99 Ca 0.21 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 2bh8 s ALA 99 Cb 0.02 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2bh8 s ALA 99 CO 0.05 -0.87 0.45 -1.14 0.00 0.00 0.00 175.76 174.24 2bh8 s GLN 100 N -3.23 3.78 0.00 0.00 0.74 -1.26 -5.36 119.66 114.33 2bh8 s GLN 100 Ca 0.73 0.20 0.26 0.00 0.05 0.00 0.00 55.36 56.60 2bh8 s GLN 100 Cb -0.26 -2.90 0.67 0.00 1.10 0.00 0.00 33.01 31.61 2bh8 s GLN 100 CO 0.30 0.49 1.53 0.00 -0.55 0.00 0.00 175.29 177.06