#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 4.21 -0.50 -0.52 0.74 -1.26 -5.00 119.66 117.33 2bq4 s GLN 2 Ca 0.00 2.43 -0.06 0.00 0.05 0.00 0.00 55.36 57.77 2bq4 s GLN 2 Cb 0.00 -3.02 0.13 0.00 1.10 0.00 0.00 33.01 31.22 2bq4 s GLN 2 CO 0.00 -0.40 0.34 0.08 -0.55 0.00 0.00 175.29 174.75 2bq4 s VAL 3 N -1.01 3.88 0.89 1.34 1.01 -1.26 -5.09 120.40 120.16 2bq4 s VAL 3 Ca 0.52 -2.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 2bq4 s VAL 3 Cb -0.44 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.49 2bq4 s VAL 3 CO 0.58 -0.78 1.12 -2.84 0.00 0.00 0.00 175.10 173.17 2bq4 s PRO 4 N 0.97 1.28 0.67 2.72 0.02 -1.26 -4.97 135.00 134.43 2bq4 s PRO 4 Ca 0.09 1.31 -0.17 0.00 0.02 0.00 0.00 61.00 62.25 2bq4 s PRO 4 Cb -0.23 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2bq4 s PRO 4 CO -0.03 -2.37 1.11 0.00 -0.33 0.00 0.00 177.00 175.38 2bq4 n ALA 5 N -4.03 0.43 -1.66 -1.55 0.00 -1.26 -4.54 120.51 107.89 2bq4 n ALA 5 Ca 0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 2bq4 n ALA 5 Cb 0.53 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.79 2bq4 n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bq4 n ASP 6 N -1.64 1.89 -4.37 0.00 10.43 -1.26 -4.73 116.55 116.87 2bq4 n ASP 6 Ca 0.14 1.04 -0.18 0.00 2.57 0.00 0.00 54.79 58.37 2bq4 n ASP 6 Cb 0.48 -1.44 -0.10 0.00 1.84 0.00 0.00 41.12 41.90 2bq4 n ASP 6 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2bq4 s VAL 7 N -1.26 1.08 -0.28 2.53 -7.23 -0.63 -5.01 120.40 109.60 2bq4 s VAL 7 Ca 0.64 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2bq4 s VAL 7 Cb -0.51 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 33.97 2bq4 s VAL 7 CO 0.56 -0.22 0.01 -0.69 -0.31 0.00 0.00 175.10 174.45 2bq4 s VAL 8 N -3.38 3.34 -0.28 1.32 1.01 -1.26 -1.34 120.40 119.81 2bq4 s VAL 8 Ca 0.31 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2bq4 s VAL 8 Cb 0.06 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2bq4 s VAL 8 CO 0.11 0.06 1.34 -0.63 0.00 0.00 0.00 175.10 175.99 2bq4 s ILE 9 N 1.37 4.09 -0.45 2.22 1.01 0.19 -4.82 121.20 124.80 2bq4 s ILE 9 Ca -0.00 1.23 0.07 0.00 0.00 0.00 0.00 60.65 61.94 2bq4 s ILE 9 Cb -0.18 -4.08 0.24 0.00 0.01 0.00 0.00 42.46 38.44 2bq4 s ILE 9 CO -0.01 -0.43 0.72 -0.67 0.00 0.00 0.00 174.94 174.56 2bq4 n ASP 10 N 7.68 -1.78 0.00 3.58 2.03 -1.26 -1.35 116.55 125.45 2bq4 n ASP 10 Ca 0.15 -3.02 0.11 0.00 0.52 0.00 0.00 54.79 52.55 2bq4 n ASP 10 Cb 0.46 0.87 -0.14 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 1.72 0.08 -4.12 -0.67 8.25 -1.26 -4.99 115.22 114.23 2bq4 n HIS 11 Ca 0.15 0.02 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 2bq4 n HIS 11 Cb 0.58 -0.45 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 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 -4.29 3.69 -0.50 2.41 1.43 -1.26 -5.01 118.68 115.14 2bq4 s LEU 12 Ca -0.04 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2bq4 s LEU 12 Cb 0.14 -2.30 0.16 0.00 0.03 0.00 0.00 46.19 44.22 2bq4 s LEU 12 CO 0.89 0.21 0.34 -0.44 0.23 0.00 0.00 176.35 177.58 2bq4 s SER 13 N -2.11 3.18 -0.10 2.29 0.01 -1.26 -4.82 113.70 110.89 2bq4 s SER 13 Ca 0.26 -3.11 -0.34 0.00 1.31 0.00 0.00 55.95 54.07 2bq4 s SER 13 Cb -0.12 -0.97 -0.11 0.00 0.21 0.00 0.00 66.02 65.03 2bq4 s SER 13 CO 0.18 -0.18 1.91 -3.20 0.41 0.00 0.00 173.24 172.35 2bq4 n ASN 14 N 2.88 3.42 0.23 2.44 2.85 -1.26 -4.83 115.26 120.99 2bq4 n ASN 14 Ca 0.19 0.93 0.16 0.00 -0.11 0.00 0.00 54.58 55.75 2bq4 n ASN 14 Cb 0.39 -1.37 0.84 0.00 1.24 0.00 0.00 39.78 40.88 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 9.54 0.00 -6.44 1.20 0.11 -1.99 -3.28 132.00 131.15 2bq4 h PRO 15 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 2bq4 h PRO 15 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 2bq4 h PRO 15 CO 0.95 0.00 1.05 1.21 -0.21 0.00 0.00 178.00 181.00 2bq4 s ASN 16 N -5.97 6.23 0.51 -2.05 3.84 -1.26 -4.91 114.94 111.32 2bq4 s ASN 16 Ca -0.05 -0.10 0.18 0.00 0.21 0.00 0.00 52.86 53.10 2bq4 s ASN 16 Cb 0.15 -2.55 1.28 0.00 -0.55 0.00 0.00 41.25 39.58 2bq4 s ASN 16 CO 0.56 -1.71 2.11 0.00 -2.79 0.00 0.00 177.10 175.27 2bq4 h ALA 17 N 10.18 1.78 0.00 1.71 0.00 -1.98 -1.35 119.26 129.61 2bq4 h ALA 17 Ca -0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2bq4 h ALA 17 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bq4 h ALA 17 CO 1.23 0.09 -0.10 0.87 0.00 0.00 0.00 179.25 181.33 2bq4 h LYS 18 N 0.00 0.00 -0.30 0.00 1.57 -1.91 -2.95 116.57 112.98 2bq4 h LYS 18 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2bq4 h LYS 18 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 2bq4 h LYS 18 CO 0.01 0.10 -0.03 1.28 -0.57 0.00 0.00 179.45 180.24 2bq4 n LEU 19 N -3.86 3.96 -4.74 2.94 4.77 -0.51 -4.95 117.00 114.60 2bq4 n LEU 19 Ca -0.02 -3.41 -0.37 0.00 -0.03 0.00 0.00 56.01 52.18 2bq4 n LEU 19 Cb 0.19 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2bq4 n LEU 19 CO 0.31 0.97 0.12 -0.70 -1.33 0.00 0.00 177.39 176.76 2bq4 s GLU 20 N -3.05 4.27 0.15 3.23 -6.30 -1.12 -4.73 118.70 111.15 2bq4 s GLU 20 Ca 0.43 0.36 0.07 0.00 -2.50 0.00 0.00 54.97 53.33 2bq4 s GLU 20 Cb 0.37 -3.41 -0.04 0.00 0.00 0.00 0.00 34.13 31.05 2bq4 s GLU 20 CO 0.04 0.24 -0.15 0.71 0.02 0.00 0.00 175.26 176.12 2bq4 s TYR 21 N 0.39 1.56 -0.14 5.30 1.51 -1.26 -5.03 117.35 119.67 2bq4 s TYR 21 Ca 0.23 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 2bq4 s TYR 21 Cb -0.15 -0.78 0.05 0.00 -0.11 0.00 0.00 41.96 40.97 2bq4 s TYR 21 CO 0.09 0.23 0.03 0.15 -1.11 0.00 0.00 175.55 174.94 2bq4 s LYS 22 N -2.95 0.54 -0.21 -0.62 1.02 -1.26 -4.81 119.74 111.45 2bq4 s LYS 22 Ca 0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 2bq4 s LYS 22 Cb -0.04 -1.63 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2bq4 s LYS 22 CO 0.04 -0.52 -0.12 0.08 -0.92 0.00 0.00 175.35 173.91 2bq4 s VAL 23 N 1.94 2.56 0.32 3.17 1.01 -0.45 -4.86 120.40 124.09 2bq4 s VAL 23 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2bq4 s VAL 23 Cb -0.15 -2.19 -0.10 0.00 0.00 0.00 0.00 36.38 33.94 2bq4 s VAL 23 CO -0.07 0.39 1.31 -0.54 0.00 0.00 0.00 175.10 176.18 2bq4 s LYS 24 N 1.33 4.37 -0.05 2.72 1.02 -1.26 -0.64 119.74 127.22 2bq4 s LYS 24 Ca 0.03 2.19 -0.02 0.00 0.02 0.00 0.00 55.97 58.19 2bq4 s LYS 24 Cb -0.15 -3.09 0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2bq4 s LYS 24 CO -0.08 -0.19 0.10 0.12 -0.92 0.00 0.00 175.35 174.39 2bq4 s PHE 25 N -0.99 -0.08 -0.24 3.18 5.36 -0.45 -4.89 117.98 119.88 2bq4 s PHE 25 Ca 0.50 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 2bq4 s PHE 25 Cb -0.39 -0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.07 2bq4 s PHE 25 CO 0.51 -0.18 -0.11 0.45 -1.46 0.00 0.00 175.22 174.43 2bq4 s SER 26 N 1.67 4.15 0.26 6.13 0.15 -1.26 -1.60 113.70 123.20 2bq4 s SER 26 Ca -0.03 -1.05 -0.05 0.00 0.70 0.00 0.00 55.95 55.52 2bq4 s SER 26 Cb -0.12 -1.58 0.30 0.00 -1.71 0.00 0.00 66.02 62.91 2bq4 s SER 26 CO -0.05 -0.13 1.89 0.45 1.20 0.00 0.00 173.24 176.60 2bq4 h HIS 27 N 7.90 1.14 -0.57 3.44 3.86 -1.85 -2.95 115.15 126.13 2bq4 h HIS 27 Ca -0.30 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2bq4 h HIS 27 Cb 1.09 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 2bq4 h HIS 27 CO 0.58 0.78 0.35 -0.22 0.86 0.00 0.00 177.93 180.29 2bq4 h LYS 28 N 1.17 0.68 -0.00 2.45 3.64 -1.94 -2.01 116.57 120.56 2bq4 h LYS 28 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2bq4 h LYS 28 Cb 0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2bq4 h LYS 28 CO -0.05 0.45 -0.03 0.00 -2.27 0.00 0.00 179.45 177.55 2bq4 h ALA 29 N 1.24 1.94 -0.19 5.00 0.00 -1.94 -2.52 119.26 122.80 2bq4 h ALA 29 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bq4 h ALA 29 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bq4 h ALA 29 CO -0.09 0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.92 2bq4 n HIS 30 N -4.50 0.44 0.27 0.00 8.25 -0.76 -4.31 115.22 114.61 2bq4 n HIS 30 Ca -0.03 -0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.37 2bq4 n HIS 30 Cb 0.12 -0.11 0.74 0.00 1.12 0.00 0.00 29.99 31.85 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 2.97 1.52 0.00 -1.41 0.00 -1.50 -1.77 119.26 119.07 2bq4 h ALA 31 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bq4 h ALA 31 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2bq4 h ALA 31 CO 0.07 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.08 2bq4 h SER 32 N 0.00 0.00 0.92 0.00 4.64 -1.86 0.33 113.55 117.58 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2bq4 h SER 32 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 2bq4 n LEU 33 N -2.72 0.19 0.00 5.97 4.77 -0.66 -5.01 117.00 119.55 2bq4 n LEU 33 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2bq4 n LEU 33 Cb 0.10 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2bq4 n LEU 33 CO 0.17 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2bq4 n GLY 34 N 0.94 3.16 0.22 -0.72 0.00 0.11 -4.67 105.19 104.22 2bq4 n GLY 34 Ca 0.05 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.59 0.84 -2.93 2.61 -2.24 -1.26 -4.64 114.28 106.08 2bq4 n THR 35 Ca 0.00 -0.92 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 2bq4 n THR 35 Cb 0.00 0.59 0.06 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.90 5.03 0.31 3.42 1.47 -1.26 -4.44 116.67 120.31 2bq4 s ASP 36 Ca 0.08 -0.66 0.01 0.00 1.18 0.00 0.00 52.55 53.15 2bq4 s ASP 36 Cb 0.04 0.06 0.50 0.00 -0.34 0.00 0.00 42.92 43.19 2bq4 s ASP 36 CO 0.06 -1.36 1.89 0.00 0.68 0.00 0.00 175.17 176.44 2bq4 h ALA 37 N 0.10 1.34 -0.98 2.11 0.00 -1.96 -2.06 119.26 117.80 2bq4 h ALA 37 Ca -0.33 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2bq4 h ALA 37 Cb 1.28 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2bq4 h ALA 37 CO 0.42 0.49 0.63 0.00 0.00 0.00 0.00 179.25 180.78 2bq4 h ALA 38 N 1.45 1.52 -0.32 0.00 0.00 -1.98 -2.07 119.26 117.87 2bq4 h ALA 38 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2bq4 h ALA 38 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bq4 h ALA 38 CO -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 2bq4 h ALA 39 N 1.52 0.43 -0.78 0.00 0.00 -1.65 -2.47 119.26 116.31 2bq4 h ALA 39 Ca 0.46 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.28 2bq4 h ALA 39 Cb 0.39 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 2bq4 h ALA 39 CO -0.22 0.20 0.32 0.00 0.00 0.00 0.00 179.25 179.55 2bq4 n GLN 41 N -4.99 0.18 0.26 0.00 6.02 -0.83 -1.02 117.38 117.00 2bq4 n GLN 41 Ca 0.15 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.69 2bq4 n GLN 41 Cb 0.44 -1.85 0.71 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.17 -3.21 116.57 112.67 2bq4 h LYS 42 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2bq4 h LYS 42 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2bq4 h LYS 42 CO 0.00 0.12 -1.41 0.00 -0.57 0.00 0.00 179.45 177.59 2bq4 n HIS 44 N -3.21 3.25 0.36 0.00 8.25 -0.19 -4.76 115.22 118.92 2bq4 n HIS 44 Ca -0.14 -2.95 0.14 0.00 -0.26 0.00 0.00 57.72 54.51 2bq4 n HIS 44 Cb 0.61 -2.41 0.49 0.00 1.12 0.00 0.00 29.99 29.80 2bq4 n HIS 44 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2bq4 h HIS 45 N 5.78 0.00 -0.01 4.41 2.07 -1.81 -2.15 115.15 123.44 2bq4 h HIS 45 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 2bq4 h HIS 45 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 2bq4 h HIS 45 CO 1.48 0.00 -0.16 1.63 -3.07 0.00 0.00 177.93 177.81 2bq4 n LYS 46 N -2.71 1.39 -1.98 5.12 4.76 -1.26 -4.96 118.16 118.51 2bq4 n LYS 46 Ca 0.02 -0.93 -0.41 0.00 -2.87 0.00 0.00 58.31 54.12 2bq4 n LYS 46 Cb 0.34 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.25 2.93 -2.15 2.13 -0.00 -0.81 -4.91 118.94 113.88 2bq4 s TRP 47 Ca 0.29 1.13 0.30 0.00 -0.00 0.00 0.00 56.10 57.81 2bq4 s TRP 47 Cb 0.20 -3.84 1.58 0.00 -0.00 0.00 0.00 33.47 31.41 2bq4 s TRP 47 CO 0.43 -2.59 2.04 -0.40 -0.00 0.00 0.00 176.95 176.43 2bq4 n ASP 48 N 1.61 0.48 0.00 5.86 5.75 -1.26 -4.90 116.55 124.09 2bq4 n ASP 48 Ca 0.04 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2bq4 n ASP 48 Cb 0.40 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2bq4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bq4 n GLY 49 N 1.04 0.85 0.00 6.12 0.00 -1.26 -4.82 105.19 107.11 2bq4 n GLY 49 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.04 0.16 -1.44 1.61 5.02 -1.26 -5.04 118.16 115.17 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 -0.68 0.22 0.00 -0.02 0.00 0.00 35.03 34.55 2bq4 n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2bq4 s SER 51 N -3.18 1.80 0.93 4.39 1.04 -1.26 -5.02 113.70 112.39 2bq4 s SER 51 Ca 0.00 0.46 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 2bq4 s SER 51 Cb 0.00 -0.60 0.15 0.00 0.10 0.00 0.00 66.02 65.67 2bq4 s SER 51 CO 0.00 -3.57 1.13 -1.84 0.98 0.00 0.00 173.24 169.94 2bq4 n GLU 52 N -4.36 -0.50 -5.07 4.02 0.28 -1.26 -4.97 120.64 108.77 2bq4 n GLU 52 Ca 0.14 -0.08 -0.32 0.00 -0.16 0.00 0.00 57.16 56.74 2bq4 n GLU 52 Cb 0.59 -2.36 -0.15 0.00 1.43 0.00 0.00 31.44 30.96 2bq4 n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2bq4 s ILE 53 N -2.63 2.56 0.00 3.84 1.01 -1.26 -4.97 121.20 119.75 2bq4 s ILE 53 Ca 0.67 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2bq4 s ILE 53 Cb -0.23 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2bq4 s ILE 53 CO 0.58 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.71 2bq4 n GLY 54 N 2.64 4.41 0.00 6.18 0.00 -1.26 -5.17 105.19 111.99 2bq4 n GLY 54 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2bq4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bq4 n GLY 55 N 4.09 -0.88 0.00 -0.02 0.00 -1.26 -5.03 105.19 102.09 2bq4 n GLY 55 Ca 0.00 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.45 2bq4 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bq4 n ALA 57 N -1.71 3.18 -1.88 0.00 0.00 -1.26 -1.17 120.51 117.67 2bq4 n ALA 57 Ca 0.00 -2.69 -0.29 0.00 0.00 0.00 0.00 53.44 50.46 2bq4 n ALA 57 Cb 0.34 -0.60 0.10 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.98 2.00 0.07 0.00 -4.23 -1.26 -3.99 115.64 105.24 2bq4 s THR 58 Ca 0.40 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.56 2bq4 s THR 58 Cb 0.34 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 71.06 2bq4 s THR 58 CO 0.04 0.00 1.62 1.21 -0.54 0.00 0.00 174.62 176.95 2bq4 n GLU 59 N -3.39 1.96 -0.47 3.99 2.13 -1.26 -1.52 120.64 122.08 2bq4 n GLU 59 Ca 0.09 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2bq4 n GLU 59 Cb 0.61 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 3.56 0.77 0.00 8.31 0.00 -1.26 -4.99 105.19 111.58 2bq4 n GLY 60 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.75 0.51 0.00 8.25 -0.32 -4.67 115.22 121.74 2bq4 n HIS 62 Ca 0.00 -2.59 0.12 0.00 -0.26 0.00 0.00 57.72 54.99 2bq4 n HIS 62 Cb 0.00 -1.28 0.26 0.00 1.12 0.00 0.00 29.99 30.09 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 4.27 0.81 -2.09 -1.41 0.00 -1.67 -3.24 119.26 115.93 2bq4 h ALA 63 Ca 0.56 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.86 2bq4 h ALA 63 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 2bq4 h ALA 63 CO 1.22 0.00 0.43 0.34 0.00 0.00 0.00 179.25 181.23 2bq4 s ASP 64 N -4.73 6.52 -0.33 0.00 3.68 -0.75 -4.87 116.67 116.19 2bq4 s ASP 64 Ca 0.08 0.22 0.09 0.00 2.13 0.00 0.00 52.55 55.07 2bq4 s ASP 64 Cb 0.11 -2.41 0.67 0.00 -1.45 0.00 0.00 42.92 39.85 2bq4 s ASP 64 CO 0.67 -0.84 1.74 0.35 0.13 0.00 0.00 175.17 177.21 2bq4 n THR 65 N 6.00 2.86 0.35 1.71 -2.24 -1.26 -1.33 114.28 120.37 2bq4 n THR 65 Ca 0.04 -1.89 0.04 0.00 -2.27 0.00 0.00 64.05 59.97 2bq4 n THR 65 Cb 0.48 -0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.53 0.04 -3.54 4.28 -2.24 -1.26 -4.80 114.28 106.23 2bq4 n THR 66 Ca 0.41 -0.52 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 2bq4 n THR 66 Cb 1.34 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 70.66 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 -0.75 6.70 -0.16 3.42 0.15 -1.26 -4.99 113.70 116.80 2bq4 s SER 67 Ca 0.11 0.83 0.14 0.00 0.70 0.00 0.00 55.95 57.73 2bq4 s SER 67 Cb 0.08 -2.22 0.37 0.00 -1.71 0.00 0.00 66.02 62.53 2bq4 s SER 67 CO 0.11 0.28 1.19 0.49 1.20 0.00 0.00 173.24 176.51 2bq4 n PHE 68 N 2.21 0.00 -3.45 3.44 3.01 -1.26 -4.68 117.46 116.73 2bq4 n PHE 68 Ca -0.14 -1.19 -0.38 0.00 1.01 0.00 0.00 57.45 56.75 2bq4 n PHE 68 Cb 0.53 -0.20 -0.09 0.00 -0.01 0.00 0.00 39.48 39.70 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 -2.62 4.03 0.60 -1.08 1.02 -1.26 -4.95 119.74 115.47 2bq4 s LYS 69 Ca 0.34 -0.03 0.30 0.00 0.02 0.00 0.00 55.97 56.61 2bq4 s LYS 69 Cb 0.33 -3.63 1.83 0.00 -0.52 0.00 0.00 37.83 35.85 2bq4 s LYS 69 CO -0.05 -0.19 2.24 0.00 -0.92 0.00 0.00 175.35 176.42 2bq4 h ALA 70 N 8.02 1.54 -0.30 5.17 0.00 -1.95 -1.97 119.26 129.77 2bq4 h ALA 70 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 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 0.64 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 180.09 2bq4 n THR 71 N -3.79 0.39 -1.80 0.00 -2.24 -1.26 -4.68 114.28 100.90 2bq4 n THR 71 Ca -0.02 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 2bq4 n THR 71 Cb 0.12 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.61 4.14 -0.00 -0.78 2.56 -0.74 -4.91 118.70 117.36 2bq4 s GLU 72 Ca 0.27 2.54 0.04 0.00 0.00 0.00 0.00 54.97 57.82 2bq4 s GLU 72 Cb 0.14 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.16 2bq4 s GLU 72 CO 0.20 -0.64 0.11 1.63 -0.56 0.00 0.00 175.26 176.00 2bq4 n LYS 73 N 2.75 1.99 -2.29 4.30 5.02 -1.26 -4.40 118.16 124.26 2bq4 n LYS 73 Ca 0.10 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 2bq4 n LYS 73 Cb 0.37 -0.95 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.08 6.65 0.00 4.39 -1.08 -1.26 -4.90 116.67 118.38 2bq4 s ASP 74 Ca -0.00 1.53 0.10 0.00 -0.52 0.00 0.00 52.55 53.65 2bq4 s ASP 74 Cb 0.03 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.41 2bq4 s ASP 74 CO 0.16 -1.05 1.24 -2.65 0.52 0.00 0.00 175.17 173.39 2bq4 n PRO 75 N 7.24 0.08 0.28 4.34 -0.02 -1.26 -2.18 135.00 143.48 2bq4 n PRO 75 Ca 0.16 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 62.05 2bq4 n PRO 75 Cb 0.45 -1.50 0.79 0.00 -0.02 0.00 0.00 33.50 33.23 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 -6.32 -0.52 2.10 -1.91 -3.41 116.57 106.52 2bq4 h LYS 76 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2bq4 h LYS 76 Cb 0.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.41 2bq4 h LYS 76 CO 0.00 0.07 0.04 -0.06 -2.00 0.00 0.00 179.45 177.51 2bq4 s PHE 77 N -3.99 3.83 0.38 0.07 0.40 -0.93 -1.80 117.98 115.94 2bq4 s PHE 77 Ca -0.02 1.39 0.06 0.00 -0.60 0.00 0.00 56.93 57.76 2bq4 s PHE 77 Cb 0.12 -2.61 0.76 0.00 0.51 0.00 0.00 43.02 41.80 2bq4 s PHE 77 CO 0.54 0.53 2.00 1.25 0.70 0.00 0.00 175.22 180.25 2bq4 h LEU 78 N 4.61 0.51 -0.99 -0.37 5.85 -1.23 -2.85 115.31 120.84 2bq4 h LEU 78 Ca -0.48 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.30 2bq4 h LEU 78 Cb 1.21 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 2bq4 h LEU 78 CO 0.65 0.42 0.63 0.24 -0.34 0.00 0.00 178.44 180.04 2bq4 h MET 79 N 0.58 1.03 -0.72 1.25 2.86 -1.83 -1.78 114.93 116.33 2bq4 h MET 79 Ca 0.15 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2bq4 h MET 79 Cb 0.04 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 2bq4 h MET 79 CO -0.02 0.68 0.45 1.15 1.06 0.00 0.00 176.91 180.23 2bq4 h THR 80 N 1.07 1.09 0.00 2.22 2.02 -1.71 -2.23 112.91 115.37 2bq4 h THR 80 Ca 0.46 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2bq4 h THR 80 Cb 0.33 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2bq4 h THR 80 CO -0.22 0.16 -0.06 0.00 0.37 0.00 0.00 175.52 175.77 2bq4 h ALA 81 N 1.31 1.82 0.00 6.16 0.00 -1.38 -1.94 119.26 125.22 2bq4 h ALA 81 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bq4 h ALA 81 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bq4 h ALA 81 CO -0.11 0.08 -1.27 1.19 0.00 0.00 0.00 179.25 179.13 2bq4 n PHE 82 N -4.35 0.03 0.00 0.00 0.99 -1.02 -4.08 117.46 109.02 2bq4 n PHE 82 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2bq4 n PHE 82 Cb 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 39.48 38.43 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 -1.76 0.00 -0.95 1.38 8.25 -0.87 -2.25 115.22 119.03 2bq4 n HIS 83 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 2bq4 n HIS 83 Cb 0.41 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.12 2.04 0.10 0.41 1.04 -0.75 -4.41 113.70 111.01 2bq4 s SER 84 Ca 0.00 1.31 0.14 0.00 0.48 0.00 0.00 55.95 57.88 2bq4 s SER 84 Cb 0.00 -2.02 0.61 0.00 0.10 0.00 0.00 66.02 64.71 2bq4 s SER 84 CO 0.00 -3.51 1.42 0.29 0.98 0.00 0.00 173.24 172.42 2bq4 n LYS 85 N -4.44 0.06 -1.74 4.02 5.02 -1.26 -3.05 118.16 116.77 2bq4 n LYS 85 Ca 0.04 0.41 -0.40 0.00 -2.02 0.00 0.00 58.31 56.35 2bq4 n LYS 85 Cb 0.56 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2bq4 n LYS 85 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bq4 n SER 86 N -1.77 2.99 0.00 4.39 2.88 -1.26 -4.74 113.62 116.11 2bq4 n SER 86 Ca 0.02 1.09 0.03 0.00 -1.33 0.00 0.00 58.87 58.67 2bq4 n SER 86 Cb 0.12 -1.57 0.17 0.00 -0.75 0.00 0.00 64.21 62.17 2bq4 n SER 86 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2bq4 n PRO 87 N -0.29 0.89 0.00 -1.46 -0.04 -1.26 -2.31 135.00 130.53 2bq4 n PRO 87 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2bq4 n PRO 87 Cb 0.42 -1.10 0.08 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.60 0.30 -3.46 0.54 2.81 -1.26 -4.22 117.12 111.22 2bq4 n MET 88 Ca 0.04 -0.22 -0.25 0.00 -1.81 0.00 0.00 57.70 55.46 2bq4 n MET 88 Cb 0.02 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.85 6.34 0.10 7.83 1.04 -0.98 -4.82 113.70 120.35 2bq4 s SER 89 Ca 0.13 0.46 -0.28 0.00 0.48 0.00 0.00 55.95 56.74 2bq4 s SER 89 Cb 0.17 -2.04 -0.12 0.00 0.10 0.00 0.00 66.02 64.14 2bq4 s SER 89 CO 0.72 -0.22 1.65 0.00 0.98 0.00 0.00 173.24 176.37 2bq4 h GLN 91 N -0.51 0.72 -0.25 0.00 4.15 -1.72 -2.75 115.11 114.75 2bq4 h GLN 91 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 2bq4 h GLN 91 Cb 0.48 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2bq4 h GLN 91 CO -0.05 0.88 0.05 0.78 -1.93 0.00 0.00 178.83 178.56 2bq4 h GLY 92 N 0.52 0.44 0.81 2.39 0.00 -1.47 -1.21 103.07 104.55 2bq4 h GLY 92 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2bq4 h GLY 92 CO 0.04 0.26 0.02 0.00 0.00 0.00 0.00 176.54 176.86 2bq4 h HIS 94 N -0.11 0.75 -0.36 0.00 -0.00 -1.42 -0.38 115.15 113.63 2bq4 h HIS 94 Ca 0.02 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 2bq4 h HIS 94 Cb 0.22 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 2bq4 h HIS 94 CO -0.00 0.36 -0.35 0.87 -0.00 0.00 0.00 177.93 178.81 2bq4 h LYS 95 N 0.74 0.83 -0.68 2.45 1.57 -1.14 -0.65 116.57 119.69 2bq4 h LYS 95 Ca 0.32 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2bq4 h LYS 95 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2bq4 h LYS 95 CO -0.19 1.05 0.32 1.49 -0.57 0.00 0.00 179.45 181.55 2bq4 h GLU 96 N 0.69 0.99 -0.04 3.15 4.81 -0.67 -0.81 114.58 122.71 2bq4 h GLU 96 Ca 0.07 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 2bq4 h GLU 96 Cb 0.91 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2bq4 h GLU 96 CO 0.08 0.79 -0.76 0.52 -0.73 0.00 0.00 179.01 178.91 2bq4 h MET 97 N 0.95 0.28 -0.21 1.92 2.86 -0.94 -2.91 114.93 116.89 2bq4 h MET 97 Ca 0.23 -0.25 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 2bq4 h MET 97 Cb 0.13 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2bq4 h MET 97 CO -0.03 0.92 -0.61 -0.22 1.06 0.00 0.00 176.91 178.03 2bq4 h LYS 98 N 0.19 0.72 -0.71 1.72 3.64 -0.90 -1.45 116.57 119.78 2bq4 h LYS 98 Ca -0.03 -0.49 0.15 0.00 -1.27 0.00 0.00 60.65 59.01 2bq4 h LYS 98 Cb 1.34 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.11 2bq4 h LYS 98 CO 0.12 1.11 -0.08 1.15 -2.27 0.00 0.00 179.45 179.49 2bq4 h THR 99 N 0.53 0.35 -0.14 1.00 2.02 -1.18 -2.17 112.91 113.31 2bq4 h THR 99 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2bq4 h THR 99 Cb 1.20 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2bq4 h THR 99 CO 0.12 0.01 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2bq4 n ALA 100 N -3.02 2.52 -3.21 6.16 0.00 -0.88 -4.91 120.51 117.16 2bq4 n ALA 100 Ca 0.11 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 2bq4 n ALA 100 Cb 0.40 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.05 -4.45 -3.93 0.00 4.76 -0.80 -4.99 118.16 108.69 2bq4 n LYS 101 Ca 0.11 0.72 -0.30 0.00 -2.87 0.00 0.00 58.31 55.97 2bq4 n LYS 101 Cb 0.19 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 27.80 2bq4 n LYS 101 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2bq4 s LYS 102 N -5.88 3.41 0.21 1.97 1.02 -0.61 -5.03 119.74 114.82 2bq4 s LYS 102 Ca 0.37 -0.47 -0.32 0.00 0.02 0.00 0.00 55.97 55.56 2bq4 s LYS 102 Cb -0.18 -3.01 -0.13 0.00 -0.52 0.00 0.00 37.83 33.99 2bq4 s LYS 102 CO 0.45 0.60 1.60 2.41 -0.92 0.00 0.00 175.35 179.49 2bq4 n THR 103 N 0.20 0.31 -3.81 2.17 -1.04 -1.26 -4.37 114.28 106.48 2bq4 n THR 103 Ca -0.05 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 2bq4 n THR 103 Cb 0.51 -1.74 0.03 0.00 -1.82 0.00 0.00 70.33 67.31 2bq4 n THR 103 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2bq4 s THR 104 N 0.70 0.00 0.81 12.58 -1.32 -1.26 -4.99 115.64 122.16 2bq4 s THR 104 Ca 0.74 -1.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.12 2bq4 s THR 104 Cb -0.59 -2.96 0.18 0.00 -1.51 0.00 0.00 72.50 67.61 2bq4 s THR 104 CO 0.40 0.00 1.11 0.61 -2.21 0.00 0.00 174.62 174.52 2bq4 n GLY 105 N -0.54 -0.48 3.76 6.08 0.00 -1.26 -5.01 105.19 107.74 2bq4 n GLY 105 Ca -0.09 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -5.37 4.16 -0.12 1.61 0.04 -1.26 -4.86 135.00 129.20 2bq4 s PRO 106 Ca 0.67 2.50 0.18 0.00 0.04 0.00 0.00 61.00 64.39 2bq4 s PRO 106 Cb -0.03 -3.02 -0.26 0.00 0.04 0.00 0.00 34.50 31.23 2bq4 s PRO 106 CO 0.46 -0.52 0.21 0.25 0.04 0.00 0.00 177.00 177.44 2bq4 n THR 107 N 1.48 0.76 -3.06 1.26 -2.24 -1.26 -4.75 114.28 106.47 2bq4 n THR 107 Ca 0.05 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 2bq4 n THR 107 Cb 0.39 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.81 3.27 0.12 6.98 0.00 -1.26 -4.96 121.76 123.10 2bq4 s ALA 108 Ca -0.08 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 2bq4 s ALA 108 Cb 0.08 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 2bq4 s ALA 108 CO 0.78 0.29 1.62 0.00 0.00 0.00 0.00 175.76 178.45 2bq4 h ALA 110 N 0.19 1.19 -0.25 0.00 0.00 -1.96 -1.51 119.26 116.91 2bq4 h ALA 110 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2bq4 h ALA 110 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2bq4 h ALA 110 CO -0.20 0.53 -0.30 1.96 0.00 0.00 0.00 179.25 181.24 2bq4 h GLN 111 N 0.34 0.52 0.06 0.00 1.08 -1.77 -1.27 115.11 114.06 2bq4 h GLN 111 Ca 0.05 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 2bq4 h GLN 111 Cb 0.64 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2bq4 h GLN 111 CO 0.05 0.76 -0.41 0.00 -0.95 0.00 0.00 178.83 178.28 2bq4 h HIS 113 N -0.61 0.87 -3.01 0.00 3.86 -1.30 -3.37 115.15 111.59 2bq4 h HIS 113 Ca -0.07 -0.20 -0.65 0.00 -1.16 0.00 0.00 60.37 58.28 2bq4 h HIS 113 Cb 1.29 -0.20 -0.39 0.00 1.06 0.00 0.00 27.41 29.16 2bq4 h HIS 113 CO 0.22 0.93 -0.36 0.09 0.86 0.00 0.00 177.93 179.67 2bq4 n ASN 114 N -4.10 3.68 -0.04 2.45 3.02 -0.48 -4.55 115.26 115.23 2bq4 n ASN 114 Ca -0.00 -3.24 0.16 0.00 -0.03 0.00 0.00 54.58 51.47 2bq4 n ASN 114 Cb 0.45 -0.86 0.91 0.00 -0.61 0.00 0.00 39.78 39.66 2bq4 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64