#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bq4 s GLN 2 N 0.00 4.28 -0.35 -0.52 2.00 -1.26 -4.99 119.66 118.82 2bq4 s GLN 2 Ca 0.00 2.24 -0.19 0.00 -2.00 0.00 0.00 55.36 55.42 2bq4 s GLN 2 Cb 0.00 -3.15 -0.00 0.00 0.80 0.00 0.00 33.01 30.66 2bq4 s GLN 2 CO 0.00 -0.43 0.54 0.08 -0.50 0.00 0.00 175.29 174.98 2bq4 s VAL 3 N 0.38 4.99 0.84 1.34 1.01 -1.26 -5.05 120.40 122.64 2bq4 s VAL 3 Ca 0.62 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2bq4 s VAL 3 Cb -0.41 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.09 2bq4 s VAL 3 CO 0.38 -0.23 1.16 -2.84 0.00 0.00 0.00 175.10 173.57 2bq4 s PRO 4 N 2.45 1.55 1.19 2.72 0.02 -1.26 -5.03 135.00 136.64 2bq4 s PRO 4 Ca 0.20 1.55 -0.17 0.00 0.02 0.00 0.00 61.00 62.60 2bq4 s PRO 4 Cb -0.15 -1.79 0.28 0.00 0.02 0.00 0.00 34.50 32.86 2bq4 s PRO 4 CO 0.13 -2.24 1.07 0.00 -0.33 0.00 0.00 177.00 175.64 2bq4 s ALA 5 N -2.49 0.35 0.40 -1.55 0.00 -1.26 -4.49 121.76 112.72 2bq4 s ALA 5 Ca 0.68 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2bq4 s ALA 5 Cb -0.24 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2bq4 s ALA 5 CO 0.54 -3.61 1.41 -0.51 0.00 0.00 0.00 175.76 173.59 2bq4 s ASP 6 N -3.54 6.21 0.31 0.00 -0.00 -1.26 -4.70 116.67 113.70 2bq4 s ASP 6 Ca 0.69 2.89 0.03 0.00 -0.00 0.00 0.00 52.55 56.16 2bq4 s ASP 6 Cb -0.14 -2.66 -0.06 0.00 -0.00 0.00 0.00 42.92 40.06 2bq4 s ASP 6 CO 0.58 -0.94 0.06 0.68 -0.00 0.00 0.00 175.17 175.54 2bq4 s VAL 7 N -1.18 1.11 -0.24 -1.27 -7.23 -0.81 -5.02 120.40 105.76 2bq4 s VAL 7 Ca 0.56 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2bq4 s VAL 7 Cb -0.43 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 33.76 2bq4 s VAL 7 CO 0.57 -0.01 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.61 2bq4 s VAL 8 N -3.36 3.03 -0.29 1.32 1.01 -1.26 -1.29 120.40 119.56 2bq4 s VAL 8 Ca 0.37 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2bq4 s VAL 8 Cb 0.09 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2bq4 s VAL 8 CO 0.15 0.27 1.12 -0.63 0.00 0.00 0.00 175.10 176.01 2bq4 s ILE 9 N 1.38 4.47 -0.45 2.22 1.01 0.61 -4.82 121.20 125.60 2bq4 s ILE 9 Ca 0.02 1.71 0.07 0.00 0.00 0.00 0.00 60.65 62.44 2bq4 s ILE 9 Cb -0.16 -4.33 0.24 0.00 0.01 0.00 0.00 42.46 38.22 2bq4 s ILE 9 CO -0.04 -0.41 0.72 -0.67 0.00 0.00 0.00 174.94 174.54 2bq4 n ASP 10 N 6.87 -1.72 0.03 3.58 2.03 -1.26 -1.35 116.55 124.73 2bq4 n ASP 10 Ca 0.13 -3.01 0.11 0.00 0.52 0.00 0.00 54.79 52.53 2bq4 n ASP 10 Cb 0.47 0.82 -0.10 0.00 -0.72 0.00 0.00 41.12 41.59 2bq4 n ASP 10 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2bq4 n HIS 11 N 1.71 0.30 -4.19 -0.67 8.25 -1.26 -4.99 115.22 114.37 2bq4 n HIS 11 Ca 0.15 0.09 -0.30 0.00 -0.26 0.00 0.00 57.72 57.39 2bq4 n HIS 11 Cb 0.58 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 2bq4 n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bq4 s LEU 12 N -4.59 3.31 -0.42 2.41 1.43 -1.26 -5.02 118.68 114.54 2bq4 s LEU 12 Ca -0.04 -0.24 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2bq4 s LEU 12 Cb 0.13 -2.05 0.30 0.00 0.03 0.00 0.00 46.19 44.60 2bq4 s LEU 12 CO 0.86 0.19 0.67 -1.20 0.23 0.00 0.00 176.35 177.10 2bq4 n SER 13 N 0.71 1.20 -4.63 2.29 7.64 -1.26 -4.81 113.62 114.75 2bq4 n SER 13 Ca -0.12 -2.99 -0.55 0.00 1.01 0.00 0.00 58.87 56.22 2bq4 n SER 13 Cb 0.52 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 2bq4 n SER 13 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2bq4 n ASN 14 N 0.74 2.36 0.30 6.43 2.85 -1.26 -4.82 115.26 121.85 2bq4 n ASN 14 Ca 0.24 0.91 0.16 0.00 -0.11 0.00 0.00 54.58 55.78 2bq4 n ASN 14 Cb 0.56 -1.17 0.94 0.00 1.24 0.00 0.00 39.78 41.34 2bq4 n ASN 14 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bq4 h PRO 15 N 8.57 0.00 -6.30 1.20 0.11 -1.99 -3.24 132.00 130.35 2bq4 h PRO 15 Ca -0.41 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.15 2bq4 h PRO 15 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 2bq4 h PRO 15 CO 0.98 0.01 1.15 1.21 -0.21 0.00 0.00 178.00 181.13 2bq4 s ASN 16 N -6.07 6.18 0.45 -2.05 3.04 -1.26 -4.90 114.94 110.33 2bq4 s ASN 16 Ca -0.05 -0.60 0.19 0.00 0.04 0.00 0.00 52.86 52.43 2bq4 s ASN 16 Cb 0.15 -2.56 1.05 0.00 -1.54 0.00 0.00 41.25 38.35 2bq4 s ASN 16 CO 0.54 -1.81 1.95 0.00 -3.04 0.00 0.00 177.10 174.74 2bq4 h ALA 17 N 10.16 1.42 0.00 1.71 0.00 -1.96 -1.60 119.26 128.99 2bq4 h ALA 17 Ca -0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2bq4 h ALA 17 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2bq4 h ALA 17 CO 1.30 0.28 -0.04 0.87 0.00 0.00 0.00 179.25 181.67 2bq4 h LYS 18 N 0.00 0.00 -0.41 0.00 1.57 -1.90 -2.54 116.57 113.28 2bq4 h LYS 18 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2bq4 h LYS 18 Cb 0.46 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 2bq4 h LYS 18 CO 0.03 0.04 0.04 1.28 -0.57 0.00 0.00 179.45 180.27 2bq4 n LEU 19 N -3.27 4.43 -4.76 2.94 4.77 -0.60 -4.96 117.00 115.55 2bq4 n LEU 19 Ca -0.01 -3.53 -0.36 0.00 -0.03 0.00 0.00 56.01 52.09 2bq4 n LEU 19 Cb 0.21 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2bq4 n LEU 19 CO 0.26 1.06 -0.15 -0.70 -1.33 0.00 0.00 177.39 176.52 2bq4 s GLU 20 N -3.13 4.07 0.10 3.23 -6.30 -0.96 -4.76 118.70 110.95 2bq4 s GLU 20 Ca 0.46 -0.16 0.06 0.00 -2.50 0.00 0.00 54.97 52.83 2bq4 s GLU 20 Cb 0.40 -3.38 -0.03 0.00 0.00 0.00 0.00 34.13 31.11 2bq4 s GLU 20 CO 0.04 0.38 -0.14 0.71 0.02 0.00 0.00 175.26 176.26 2bq4 s TYR 21 N 0.13 1.35 -0.20 5.30 1.51 -1.26 -5.05 117.35 119.13 2bq4 s TYR 21 Ca 0.10 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2bq4 s TYR 21 Cb -0.11 -0.72 0.06 0.00 -0.11 0.00 0.00 41.96 41.07 2bq4 s TYR 21 CO -0.00 0.11 0.04 0.15 -1.11 0.00 0.00 175.55 174.74 2bq4 s LYS 22 N -2.36 0.64 -0.22 -0.62 1.02 -1.26 -4.80 119.74 112.15 2bq4 s LYS 22 Ca 0.05 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 2bq4 s LYS 22 Cb -0.07 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2bq4 s LYS 22 CO 0.03 -0.66 -0.06 0.08 -0.92 0.00 0.00 175.35 173.82 2bq4 s VAL 23 N 1.86 3.16 0.32 3.17 1.01 -0.45 -4.86 120.40 124.60 2bq4 s VAL 23 Ca -0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2bq4 s VAL 23 Cb -0.17 -2.45 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 2bq4 s VAL 23 CO -0.09 0.41 1.30 -0.54 0.00 0.00 0.00 175.10 176.18 2bq4 s LYS 24 N 1.44 4.38 -0.03 2.72 1.02 -1.26 -0.29 119.74 127.72 2bq4 s LYS 24 Ca 0.05 2.18 -0.01 0.00 0.02 0.00 0.00 55.97 58.21 2bq4 s LYS 24 Cb -0.14 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2bq4 s LYS 24 CO -0.05 -0.17 0.06 0.12 -0.92 0.00 0.00 175.35 174.40 2bq4 s PHE 25 N -1.05 -0.01 -0.23 3.18 5.36 -0.41 -4.89 117.98 119.93 2bq4 s PHE 25 Ca 0.49 0.23 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 2bq4 s PHE 25 Cb -0.39 -0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.10 2bq4 s PHE 25 CO 0.51 -0.12 -0.13 0.45 -1.46 0.00 0.00 175.22 174.47 2bq4 s SER 26 N 1.26 3.99 0.22 6.13 0.15 -1.26 -1.93 113.70 122.27 2bq4 s SER 26 Ca -0.07 -1.16 -0.08 0.00 0.70 0.00 0.00 55.95 55.35 2bq4 s SER 26 Cb -0.13 -1.48 0.28 0.00 -1.71 0.00 0.00 66.02 62.98 2bq4 s SER 26 CO -0.04 -0.14 1.83 0.45 1.20 0.00 0.00 173.24 176.54 2bq4 h HIS 27 N 7.84 0.82 -0.75 3.44 3.86 -1.84 -2.89 115.15 125.64 2bq4 h HIS 27 Ca -0.26 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.98 2bq4 h HIS 27 Cb 1.07 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.24 2bq4 h HIS 27 CO 0.58 0.41 0.50 -0.22 0.86 0.00 0.00 177.93 180.06 2bq4 h LYS 28 N 0.82 0.98 0.00 2.45 3.64 -1.94 -0.94 116.57 121.58 2bq4 h LYS 28 Ca 0.33 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2bq4 h LYS 28 Cb 0.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2bq4 h LYS 28 CO -0.17 0.65 -0.06 0.00 -2.27 0.00 0.00 179.45 177.60 2bq4 h ALA 29 N 1.28 1.53 -0.42 5.00 0.00 -1.94 -1.98 119.26 122.73 2bq4 h ALA 29 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bq4 h ALA 29 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bq4 h ALA 29 CO -0.06 0.07 0.00 0.72 0.00 0.00 0.00 179.25 179.98 2bq4 n HIS 30 N -3.92 0.86 0.27 0.00 8.25 -0.37 -4.45 115.22 115.87 2bq4 n HIS 30 Ca -0.03 -0.36 0.14 0.00 -0.26 0.00 0.00 57.72 57.22 2bq4 n HIS 30 Cb 0.15 -0.14 0.77 0.00 1.12 0.00 0.00 29.99 31.89 2bq4 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bq4 h ALA 31 N 3.60 1.25 0.00 -1.41 0.00 -1.26 -2.07 119.26 119.37 2bq4 h ALA 31 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bq4 h ALA 31 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bq4 h ALA 31 CO 0.12 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.15 2bq4 h SER 32 N 0.00 0.00 1.13 0.00 4.64 -1.84 -0.90 113.55 116.57 2bq4 h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bq4 h SER 32 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2bq4 h SER 32 CO 0.01 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2bq4 h LEU 33 N 0.00 0.00 0.00 5.97 3.38 -1.73 -3.49 115.31 119.44 2bq4 h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bq4 h LEU 33 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2bq4 h LEU 33 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2bq4 n GLY 34 N 0.65 2.78 0.00 0.83 0.00 -0.34 -4.70 105.19 104.41 2bq4 n GLY 34 Ca 0.04 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2bq4 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bq4 n THR 35 N -0.81 0.31 -2.13 2.61 -2.24 -1.26 -4.72 114.28 106.04 2bq4 n THR 35 Ca 0.00 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 2bq4 n THR 35 Cb 0.00 1.05 0.13 0.00 -2.10 0.00 0.00 70.33 69.40 2bq4 n THR 35 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2bq4 s ASP 36 N -0.31 4.00 0.31 3.42 1.47 -1.26 -4.94 116.67 119.36 2bq4 s ASP 36 Ca 0.00 0.26 -0.01 0.00 1.18 0.00 0.00 52.55 53.98 2bq4 s ASP 36 Cb 0.00 -0.59 0.49 0.00 -0.34 0.00 0.00 42.92 42.49 2bq4 s ASP 36 CO 0.00 -2.15 1.95 0.00 0.68 0.00 0.00 175.17 175.65 2bq4 h ALA 37 N -1.06 1.41 -0.37 2.11 0.00 -1.97 -1.69 119.26 117.68 2bq4 h ALA 37 Ca -0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2bq4 h ALA 37 Cb 1.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2bq4 h ALA 37 CO 0.48 0.51 0.06 0.00 0.00 0.00 0.00 179.25 180.30 2bq4 h ALA 38 N 1.49 1.42 -0.43 0.00 0.00 -1.97 -2.18 119.26 117.59 2bq4 h ALA 38 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2bq4 h ALA 38 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2bq4 h ALA 38 CO -0.05 0.42 0.22 0.00 0.00 0.00 0.00 179.25 179.84 2bq4 h ALA 39 N 1.53 0.53 -0.86 0.00 0.00 -1.59 -2.23 119.26 116.65 2bq4 h ALA 39 Ca 0.12 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2bq4 h ALA 39 Cb 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2bq4 h ALA 39 CO 0.00 -0.13 0.57 0.00 0.00 0.00 0.00 179.25 179.69 2bq4 n GLN 41 N -4.43 0.14 0.27 0.00 6.02 -0.88 -0.30 117.38 118.20 2bq4 n GLN 41 Ca 0.11 0.35 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2bq4 n GLN 41 Cb 0.07 -1.75 0.75 0.00 1.02 0.00 0.00 30.24 30.32 2bq4 n GLN 41 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2bq4 h LYS 42 N 0.00 0.00 0.00 -1.09 1.57 -0.99 -3.24 116.57 112.82 2bq4 h LYS 42 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2bq4 h LYS 42 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2bq4 h LYS 42 CO 0.00 0.08 -0.66 0.00 -0.57 0.00 0.00 179.45 178.30 2bq4 n HIS 44 N -3.27 2.42 0.67 0.00 8.25 0.59 -4.74 115.22 119.14 2bq4 n HIS 44 Ca -0.02 -2.27 0.13 0.00 -0.26 0.00 0.00 57.72 55.30 2bq4 n HIS 44 Cb 0.32 -2.02 0.46 0.00 1.12 0.00 0.00 29.99 29.87 2bq4 n HIS 44 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2bq4 n HIS 45 N 6.63 0.66 0.82 4.41 -0.00 -1.22 -2.17 115.22 124.35 2bq4 n HIS 45 Ca 0.51 0.21 0.11 0.00 -0.00 0.00 0.00 57.72 58.55 2bq4 n HIS 45 Cb 0.37 -0.83 0.12 0.00 -0.00 0.00 0.00 29.99 29.65 2bq4 n HIS 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2bq4 n LYS 46 N -2.05 2.23 -2.10 -1.40 4.76 -1.26 -4.98 118.16 113.36 2bq4 n LYS 46 Ca 0.05 -1.94 -0.41 0.00 -2.87 0.00 0.00 58.31 53.14 2bq4 n LYS 46 Cb 0.37 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 2bq4 n LYS 46 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2bq4 s TRP 47 N -1.82 3.09 -1.91 2.13 -0.00 -0.92 -4.91 118.94 114.60 2bq4 s TRP 47 Ca 0.29 1.21 0.30 0.00 -0.00 0.00 0.00 56.10 57.90 2bq4 s TRP 47 Cb 0.20 -3.71 1.74 0.00 -0.00 0.00 0.00 33.47 31.69 2bq4 s TRP 47 CO 0.29 -2.18 2.10 -0.40 -0.00 0.00 0.00 176.95 176.76 2bq4 n ASP 48 N 1.89 0.00 0.00 5.86 5.68 -1.26 -4.89 116.55 123.83 2bq4 n ASP 48 Ca 0.04 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 2bq4 n ASP 48 Cb 0.41 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2bq4 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bq4 n GLY 49 N 0.92 1.10 0.00 6.12 0.00 -1.26 -4.82 105.19 107.24 2bq4 n GLY 49 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2bq4 n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bq4 n LYS 50 N -2.00 0.21 -1.48 1.61 5.02 -1.26 -4.98 118.16 115.28 2bq4 n LYS 50 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2bq4 n LYS 50 Cb 0.00 -0.73 0.23 0.00 -0.02 0.00 0.00 35.03 34.51 2bq4 n LYS 50 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2bq4 n SER 51 N -1.86 -1.02 -4.72 4.39 3.41 -1.26 -4.96 113.62 107.60 2bq4 n SER 51 Ca 0.00 -1.33 -0.40 0.00 -0.26 0.00 0.00 58.87 56.88 2bq4 n SER 51 Cb 0.23 -1.02 0.02 0.00 -0.26 0.00 0.00 64.21 63.18 2bq4 n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bq4 n GLU 52 N -4.37 1.94 -3.81 4.33 1.02 -1.26 -4.92 120.64 113.57 2bq4 n GLU 52 Ca 0.16 0.69 -0.37 0.00 -0.02 0.00 0.00 57.16 57.63 2bq4 n GLU 52 Cb 0.59 -2.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 2bq4 n GLU 52 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bq4 s ILE 53 N -1.22 5.41 0.00 -3.67 1.01 -1.26 -4.98 121.20 116.48 2bq4 s ILE 53 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2bq4 s ILE 53 Cb -0.47 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2bq4 s ILE 53 CO 0.56 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.68 2bq4 n GLY 54 N 1.79 4.33 3.80 6.18 0.00 -1.26 -5.15 105.19 114.88 2bq4 n GLY 54 Ca -0.17 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 2bq4 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bq4 s GLY 55 N -0.92 1.59 0.15 -0.02 0.00 -1.26 -4.99 107.32 101.88 2bq4 s GLY 55 Ca 0.00 -0.45 0.27 0.00 0.00 0.00 0.00 44.72 44.53 2bq4 s GLY 55 CO 0.00 0.07 1.81 0.00 0.00 0.00 0.00 173.10 174.98 2bq4 n ALA 57 N -1.71 4.13 -1.92 0.00 0.00 -1.26 -1.60 120.51 118.15 2bq4 n ALA 57 Ca 0.06 -3.31 -0.28 0.00 0.00 0.00 0.00 53.44 49.91 2bq4 n ALA 57 Cb 0.40 -0.52 0.11 0.00 0.00 0.00 0.00 19.45 19.43 2bq4 n ALA 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2bq4 s THR 58 N -3.43 2.09 0.23 0.00 -4.23 -1.26 -4.12 115.64 104.91 2bq4 s THR 58 Ca 0.43 -0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.50 2bq4 s THR 58 Cb 0.39 -2.97 -0.12 0.00 1.34 0.00 0.00 72.50 71.14 2bq4 s THR 58 CO -0.03 0.00 1.62 1.21 -0.54 0.00 0.00 174.62 176.88 2bq4 n GLU 59 N -3.27 2.55 -0.79 3.99 2.13 -1.26 -1.56 120.64 122.43 2bq4 n GLU 59 Ca 0.10 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.83 2bq4 n GLU 59 Cb 0.60 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2bq4 n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bq4 n GLY 60 N 3.10 0.87 0.00 8.31 0.00 -1.26 -4.97 105.19 111.24 2bq4 n GLY 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2bq4 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bq4 n HIS 62 N 0.00 2.68 0.43 0.00 8.25 -0.63 -4.63 115.22 121.32 2bq4 n HIS 62 Ca 0.00 -2.61 0.12 0.00 -0.26 0.00 0.00 57.72 54.97 2bq4 n HIS 62 Cb 0.00 -1.19 0.20 0.00 1.12 0.00 0.00 29.99 30.12 2bq4 n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bq4 h ALA 63 N 4.46 0.75 -1.92 -1.41 0.00 -1.65 -3.24 119.26 116.24 2bq4 h ALA 63 Ca 0.45 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.77 2bq4 h ALA 63 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 2bq4 h ALA 63 CO 1.20 0.00 0.65 0.34 0.00 0.00 0.00 179.25 181.44 2bq4 s ASP 64 N -4.91 6.58 -0.31 0.00 3.68 -0.56 -4.87 116.67 116.29 2bq4 s ASP 64 Ca 0.06 0.33 0.10 0.00 2.13 0.00 0.00 52.55 55.18 2bq4 s ASP 64 Cb 0.11 -2.47 0.75 0.00 -1.45 0.00 0.00 42.92 39.86 2bq4 s ASP 64 CO 0.69 -1.02 1.79 0.35 0.13 0.00 0.00 175.17 177.11 2bq4 n THR 65 N 6.34 2.87 0.15 1.71 -2.24 -1.26 -1.71 114.28 120.15 2bq4 n THR 65 Ca 0.07 -1.55 0.04 0.00 -2.27 0.00 0.00 64.05 60.35 2bq4 n THR 65 Cb 0.48 -0.35 0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2bq4 n THR 65 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bq4 n THR 66 N 0.01 0.39 -3.90 4.28 -2.24 -1.26 -4.80 114.28 106.76 2bq4 n THR 66 Ca 0.38 -0.70 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 2bq4 n THR 66 Cb 1.35 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 70.42 2bq4 n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bq4 s SER 67 N -0.80 6.27 -0.17 3.42 0.15 -1.26 -5.00 113.70 116.30 2bq4 s SER 67 Ca 0.12 0.41 0.14 0.00 0.70 0.00 0.00 55.95 57.32 2bq4 s SER 67 Cb 0.08 -2.03 0.41 0.00 -1.71 0.00 0.00 66.02 62.77 2bq4 s SER 67 CO 0.11 0.38 1.20 0.49 1.20 0.00 0.00 173.24 176.62 2bq4 n PHE 68 N 2.19 0.00 -3.48 3.44 3.01 -1.26 -4.65 117.46 116.70 2bq4 n PHE 68 Ca -0.19 -1.29 -0.39 0.00 1.01 0.00 0.00 57.45 56.59 2bq4 n PHE 68 Cb 0.55 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 2bq4 n PHE 68 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2bq4 s LYS 69 N -2.65 3.92 0.61 -1.08 1.02 -1.26 -4.95 119.74 115.35 2bq4 s LYS 69 Ca 0.36 -0.19 0.33 0.00 0.02 0.00 0.00 55.97 56.49 2bq4 s LYS 69 Cb 0.36 -3.68 1.92 0.00 -0.52 0.00 0.00 37.83 35.91 2bq4 s LYS 69 CO -0.08 -0.27 2.25 0.00 -0.92 0.00 0.00 175.35 176.33 2bq4 h ALA 70 N 8.30 1.46 -0.36 5.17 0.00 -1.95 -1.77 119.26 130.11 2bq4 h ALA 70 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bq4 h ALA 70 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2bq4 h ALA 70 CO 0.61 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 180.05 2bq4 n THR 71 N -3.66 0.47 -1.77 0.00 -2.24 -1.26 -4.67 114.28 101.16 2bq4 n THR 71 Ca -0.02 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 2bq4 n THR 71 Cb 0.13 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2bq4 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2bq4 s GLU 72 N -1.53 4.11 -0.00 -0.78 2.56 -0.67 -4.92 118.70 117.47 2bq4 s GLU 72 Ca 0.32 2.59 0.01 0.00 0.00 0.00 0.00 54.97 57.89 2bq4 s GLU 72 Cb 0.17 -3.02 -0.01 0.00 2.00 0.00 0.00 34.13 33.28 2bq4 s GLU 72 CO 0.24 -0.64 0.03 1.63 -0.56 0.00 0.00 175.26 175.96 2bq4 n LYS 73 N 2.10 6.34 -2.52 4.30 5.02 -1.26 -4.47 118.16 127.67 2bq4 n LYS 73 Ca 0.08 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 2bq4 n LYS 73 Cb 0.37 -0.57 -0.02 0.00 -0.02 0.00 0.00 35.03 34.80 2bq4 n LYS 73 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bq4 s ASP 74 N -1.14 6.85 0.03 4.39 -1.08 -1.26 -4.91 116.67 119.55 2bq4 s ASP 74 Ca 0.00 1.24 0.12 0.00 -0.52 0.00 0.00 52.55 53.39 2bq4 s ASP 74 Cb 0.01 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.45 2bq4 s ASP 74 CO 0.03 -0.92 1.38 -2.65 0.52 0.00 0.00 175.17 173.54 2bq4 n PRO 75 N 6.95 0.02 0.22 4.34 -0.02 -1.26 -2.19 135.00 143.07 2bq4 n PRO 75 Ca 0.13 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2bq4 n PRO 75 Cb 0.46 -1.55 0.66 0.00 -0.02 0.00 0.00 33.50 33.06 2bq4 n PRO 75 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2bq4 h LYS 76 N 0.00 0.00 -6.23 -0.52 2.10 -1.91 -3.40 116.57 106.60 2bq4 h LYS 76 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2bq4 h LYS 76 Cb 0.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 2bq4 h LYS 76 CO 0.00 0.00 -0.06 -0.06 -2.00 0.00 0.00 179.45 177.33 2bq4 s PHE 77 N -3.58 3.76 0.32 0.07 0.40 -0.93 -1.49 117.98 116.54 2bq4 s PHE 77 Ca 0.01 1.21 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 2bq4 s PHE 77 Cb 0.09 -2.46 0.54 0.00 0.51 0.00 0.00 43.02 41.71 2bq4 s PHE 77 CO 0.45 0.56 1.83 1.25 0.70 0.00 0.00 175.22 180.01 2bq4 h LEU 78 N 4.37 0.51 -0.95 -0.37 5.85 -1.35 -2.74 115.31 120.62 2bq4 h LEU 78 Ca -0.50 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.27 2bq4 h LEU 78 Cb 1.21 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 2bq4 h LEU 78 CO 0.64 0.62 0.56 0.24 -0.34 0.00 0.00 178.44 180.15 2bq4 h MET 79 N 0.50 0.77 -0.83 1.25 2.86 -1.83 -1.81 114.93 115.85 2bq4 h MET 79 Ca 0.10 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2bq4 h MET 79 Cb 0.41 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2bq4 h MET 79 CO 0.02 0.51 0.55 1.15 1.06 0.00 0.00 176.91 180.19 2bq4 h THR 80 N 0.79 1.22 0.00 2.22 2.02 -1.71 -1.80 112.91 115.65 2bq4 h THR 80 Ca 0.52 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2bq4 h THR 80 Cb 0.69 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2bq4 h THR 80 CO -0.34 0.21 -0.10 0.00 0.37 0.00 0.00 175.52 175.66 2bq4 h ALA 81 N 1.30 1.68 0.00 6.16 0.00 -1.39 -1.84 119.26 125.18 2bq4 h ALA 81 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2bq4 h ALA 81 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2bq4 h ALA 81 CO -0.06 0.13 -1.55 1.19 0.00 0.00 0.00 179.25 178.95 2bq4 n PHE 82 N -4.20 0.01 0.00 0.00 0.99 -1.02 -4.07 117.46 109.17 2bq4 n PHE 82 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2bq4 n PHE 82 Cb 0.18 -0.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.36 2bq4 n PHE 82 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2bq4 n HIS 83 N -1.94 0.00 -1.15 1.38 8.25 -0.71 -2.30 115.22 118.75 2bq4 n HIS 83 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 2bq4 n HIS 83 Cb 0.47 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.78 2bq4 n HIS 83 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bq4 s SER 84 N -1.28 1.98 0.00 0.41 1.04 -0.71 -4.45 113.70 110.69 2bq4 s SER 84 Ca 0.00 0.95 0.22 0.00 0.48 0.00 0.00 55.95 57.60 2bq4 s SER 84 Cb 0.00 -1.46 1.05 0.00 0.10 0.00 0.00 66.02 65.71 2bq4 s SER 84 CO 0.00 -3.50 1.72 0.29 0.98 0.00 0.00 173.24 172.72 2bq4 n LYS 85 N -4.39 0.19 -1.89 4.02 5.02 -1.26 -3.05 118.16 116.81 2bq4 n LYS 85 Ca 0.08 0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 56.07 2bq4 n LYS 85 Cb 0.58 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2bq4 n LYS 85 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bq4 s SER 86 N -2.74 5.86 0.00 4.39 0.15 -1.26 -4.77 113.70 115.33 2bq4 s SER 86 Ca 0.17 2.78 0.09 0.00 0.70 0.00 0.00 55.95 59.69 2bq4 s SER 86 Cb 0.15 -2.64 0.55 0.00 -1.71 0.00 0.00 66.02 62.36 2bq4 s SER 86 CO 0.36 -1.17 1.09 -0.81 1.20 0.00 0.00 173.24 173.91 2bq4 n PRO 87 N -0.32 0.66 0.00 5.44 -0.04 -1.26 -2.39 135.00 137.09 2bq4 n PRO 87 Ca 0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2bq4 n PRO 87 Cb 0.43 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 2bq4 n PRO 87 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2bq4 n MET 88 N -0.72 0.03 -2.94 0.54 2.81 -1.26 -4.14 117.12 111.45 2bq4 n MET 88 Ca 0.07 -0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.70 2bq4 n MET 88 Cb 0.03 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 2bq4 n MET 88 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2bq4 s SER 89 N -3.08 6.06 0.08 7.83 1.04 -1.01 -4.84 113.70 119.79 2bq4 s SER 89 Ca 0.08 0.56 -0.31 0.00 0.48 0.00 0.00 55.95 56.75 2bq4 s SER 89 Cb 0.16 -1.89 -0.17 0.00 0.10 0.00 0.00 66.02 64.22 2bq4 s SER 89 CO 0.84 -0.59 1.63 0.00 0.98 0.00 0.00 173.24 176.10 2bq4 h GLN 91 N -0.77 0.89 -0.26 0.00 4.15 -1.74 -2.83 115.11 114.56 2bq4 h GLN 91 Ca -0.06 -0.34 -0.12 0.00 0.77 0.00 0.00 58.65 58.89 2bq4 h GLN 91 Cb 0.62 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 2bq4 h GLN 91 CO 0.08 0.99 -0.32 0.78 -1.93 0.00 0.00 178.83 178.43 2bq4 h GLY 92 N 0.94 0.74 0.79 2.39 0.00 -1.46 -1.63 103.07 104.83 2bq4 h GLY 92 Ca 0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 2bq4 h GLY 92 CO 0.05 0.71 -0.06 0.00 0.00 0.00 0.00 176.54 177.24 2bq4 h HIS 94 N 0.07 0.60 -0.25 0.00 -0.00 -1.51 -0.28 115.15 113.78 2bq4 h HIS 94 Ca 0.04 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.26 2bq4 h HIS 94 Cb 0.52 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2bq4 h HIS 94 CO 0.06 0.32 -0.53 0.87 -0.00 0.00 0.00 177.93 178.64 2bq4 h LYS 95 N 0.63 0.73 -0.62 2.45 1.57 -1.25 -1.53 116.57 118.55 2bq4 h LYS 95 Ca 0.24 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2bq4 h LYS 95 Cb 0.09 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2bq4 h LYS 95 CO -0.13 1.08 0.29 1.49 -0.57 0.00 0.00 179.45 181.60 2bq4 h GLU 96 N 0.57 0.89 0.00 3.15 4.81 -0.78 -2.43 114.58 120.79 2bq4 h GLU 96 Ca 0.02 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2bq4 h GLU 96 Cb 1.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2bq4 h GLU 96 CO 0.11 0.73 -0.25 0.52 -0.73 0.00 0.00 179.01 179.39 2bq4 h MET 97 N 0.85 0.00 0.00 1.92 2.86 -0.89 -2.15 114.93 117.51 2bq4 h MET 97 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2bq4 h MET 97 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2bq4 h MET 97 CO -0.02 0.25 0.00 1.17 1.06 0.00 0.00 176.91 179.36 2bq4 n LYS 98 N -3.97 0.09 -0.31 1.72 4.81 -0.59 -1.41 118.16 118.51 2bq4 n LYS 98 Ca -0.02 0.13 -0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2bq4 n LYS 98 Cb 0.32 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 34.00 2bq4 n LYS 98 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2bq4 h THR 99 N 0.00 1.07 -0.14 3.15 2.02 -1.20 -1.74 112.91 116.07 2bq4 h THR 99 Ca 0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2bq4 h THR 99 Cb 0.30 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2bq4 h THR 99 CO 0.00 0.18 -0.07 0.00 0.37 0.00 0.00 175.52 176.00 2bq4 n ALA 100 N -2.35 2.99 -3.63 6.16 0.00 -1.25 -5.00 120.51 117.43 2bq4 n ALA 100 Ca 0.11 -2.69 -0.22 0.00 0.00 0.00 0.00 53.44 50.64 2bq4 n ALA 100 Cb 0.15 -0.54 0.06 0.00 0.00 0.00 0.00 19.45 19.12 2bq4 n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bq4 n LYS 101 N -1.06 -6.25 -2.11 0.00 5.02 -0.66 -4.99 118.16 108.11 2bq4 n LYS 101 Ca 0.21 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.89 2bq4 n LYS 101 Cb 0.79 -5.61 0.01 0.00 -0.02 0.00 0.00 35.03 30.20 2bq4 n LYS 101 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bq4 s LYS 102 N -5.98 3.25 0.17 1.97 1.02 -0.50 -4.98 119.74 114.70 2bq4 s LYS 102 Ca 0.25 1.43 -0.32 0.00 0.02 0.00 0.00 55.97 57.35 2bq4 s LYS 102 Cb -0.12 -2.01 -0.11 0.00 -0.52 0.00 0.00 37.83 35.08 2bq4 s LYS 102 CO 0.77 -0.90 1.68 0.99 -0.92 0.00 0.00 175.35 176.97 2bq4 s THR 103 N -2.10 2.36 0.28 2.17 2.01 -1.26 -4.50 115.64 114.60 2bq4 s THR 103 Ca 0.68 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 2bq4 s THR 103 Cb -0.20 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.23 2bq4 s THR 103 CO 0.32 0.01 0.66 1.07 -0.69 0.00 0.00 174.62 175.99 2bq4 n THR 104 N 4.14 0.00 -2.15 -0.82 5.66 -1.26 -5.02 114.28 114.82 2bq4 n THR 104 Ca 0.15 -0.72 -0.26 0.00 -3.05 0.00 0.00 64.05 60.17 2bq4 n THR 104 Cb 0.37 0.75 0.16 0.00 -1.55 0.00 0.00 70.33 70.07 2bq4 n THR 104 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bq4 n GLY 105 N -0.45 -0.67 3.74 1.09 0.00 -1.26 -5.01 105.19 102.62 2bq4 n GLY 105 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2bq4 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bq4 s PRO 106 N -5.47 4.23 -0.03 1.61 0.04 -1.26 -4.87 135.00 129.24 2bq4 s PRO 106 Ca 0.69 2.37 0.21 0.00 0.04 0.00 0.00 61.00 64.31 2bq4 s PRO 106 Cb -0.03 -3.10 -0.29 0.00 0.04 0.00 0.00 34.50 31.12 2bq4 s PRO 106 CO 0.47 -0.49 0.48 0.25 0.04 0.00 0.00 177.00 177.75 2bq4 n THR 107 N 2.52 0.28 -2.97 1.26 -2.24 -1.26 -4.75 114.28 107.12 2bq4 n THR 107 Ca 0.08 -0.56 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 2bq4 n THR 107 Cb 0.39 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 2bq4 n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bq4 s ALA 108 N -3.35 3.34 0.14 6.98 0.00 -1.26 -4.99 121.76 122.62 2bq4 s ALA 108 Ca -0.08 0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2bq4 s ALA 108 Cb 0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2bq4 s ALA 108 CO 0.89 0.27 1.61 0.00 0.00 0.00 0.00 175.76 178.53 2bq4 h ALA 110 N 0.45 1.03 -0.17 0.00 0.00 -1.94 -1.49 119.26 117.14 2bq4 h ALA 110 Ca 0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2bq4 h ALA 110 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2bq4 h ALA 110 CO -0.35 0.62 -0.33 1.96 0.00 0.00 0.00 179.25 181.16 2bq4 h GLN 111 N 0.23 0.34 0.12 0.00 1.08 -1.86 0.65 115.11 115.67 2bq4 h GLN 111 Ca 0.02 -0.14 -0.18 0.00 -1.45 0.00 0.00 58.65 56.89 2bq4 h GLN 111 Cb 0.88 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.31 2bq4 h GLN 111 CO 0.07 0.64 -0.85 0.00 -0.95 0.00 0.00 178.83 177.74 2bq4 h HIS 113 N -0.45 0.73 0.00 0.00 3.86 -1.27 -3.43 115.15 114.59 2bq4 h HIS 113 Ca -0.16 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2bq4 h HIS 113 Cb 1.58 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.88 2bq4 h HIS 113 CO 0.19 0.84 0.00 0.09 0.86 0.00 0.00 177.93 179.92