#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqb n ASP 7 N 0.00 -1.20 -2.58 0.41 10.43 -1.26 -4.91 116.55 117.44 1gqb n ASP 7 Ca 0.00 -0.82 -0.10 0.00 2.57 0.00 0.00 54.79 56.44 1gqb n ASP 7 Cb 0.00 -4.05 0.03 0.00 1.84 0.00 0.00 41.12 38.94 1gqb n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1gqb n ASP 8 N -3.05 2.62 -1.19 -2.24 4.64 -1.18 -4.60 116.55 111.54 1gqb n ASP 8 Ca -0.30 -2.73 -0.14 0.00 -1.38 0.00 0.00 54.79 50.24 1gqb n ASP 8 Cb 0.68 -0.46 -0.05 0.00 -1.04 0.00 0.00 41.12 40.25 1gqb n ASP 8 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1gqb s GLN 10 N -3.46 0.51 0.01 0.00 -0.21 -1.26 -1.45 119.66 113.80 1gqb s GLN 10 Ca 0.00 -0.69 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 1gqb s GLN 10 Cb 0.00 -0.29 0.06 0.00 1.00 0.00 0.00 33.01 33.77 1gqb s GLN 10 CO 0.00 0.05 0.56 0.54 -2.12 0.00 0.00 175.29 174.32 1gqb s VAL 11 N -1.24 0.02 0.13 1.09 0.11 -0.37 -4.58 120.40 115.56 1gqb s VAL 11 Ca -0.09 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1gqb s VAL 11 Cb -0.09 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1gqb s VAL 11 CO 0.00 -0.09 0.00 0.42 -3.33 0.00 0.00 175.10 172.10 1gqb s THR 12 N -1.86 3.89 -0.26 5.04 -4.23 -1.26 0.19 115.64 117.16 1gqb s THR 12 Ca -0.08 -1.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 1gqb s THR 12 Cb -0.01 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.94 1gqb s THR 12 CO 0.03 0.02 1.12 0.21 -0.54 0.00 0.00 174.62 175.46 1gqb s ASN 13 N -2.58 6.97 0.52 3.99 3.84 -0.07 -4.82 114.94 122.80 1gqb s ASN 13 Ca 0.26 1.31 0.30 0.00 0.21 0.00 0.00 52.86 54.94 1gqb s ASN 13 Cb -0.11 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.43 1gqb s ASN 13 CO 0.18 -0.80 2.01 1.55 -2.79 0.00 0.00 177.10 177.25 1gqb h PRO 14 N 7.98 0.00 0.01 0.43 0.13 -1.95 1.22 132.00 139.83 1gqb h PRO 14 Ca -0.21 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.68 1gqb h PRO 14 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1gqb h PRO 14 CO 1.00 0.10 -0.98 0.77 -0.23 0.00 0.00 178.00 178.67 1gqb h SER 15 N 0.00 0.56 0.00 1.44 0.02 -1.99 -3.37 113.55 110.22 1gqb h SER 15 Ca -0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1gqb h SER 15 Cb 0.47 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1gqb h SER 15 CO 0.01 1.27 -0.72 0.35 -1.14 0.00 0.00 176.83 176.60 1gqb n THR 16 N -3.74 0.00 -0.94 -2.27 -2.24 -0.77 -5.00 114.28 99.32 1gqb n THR 16 Ca -0.07 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1gqb n THR 16 Cb 0.85 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1gqb n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqb n GLY 17 N 1.50 0.64 3.69 3.38 0.00 0.41 -4.98 105.19 109.83 1gqb n GLY 17 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1gqb n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gqb n HIS 18 N -2.33 2.51 -3.40 1.61 -0.00 -1.24 -4.67 115.22 107.70 1gqb n HIS 18 Ca 0.00 0.11 -0.39 0.00 -0.00 0.00 0.00 57.72 57.44 1gqb n HIS 18 Cb 0.04 -2.63 -0.09 0.00 -0.00 0.00 0.00 29.99 27.32 1gqb n HIS 18 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1gqb s LEU 19 N 1.41 4.04 -0.02 0.27 2.96 -1.26 -0.89 118.68 125.18 1gqb s LEU 19 Ca 0.78 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.97 1gqb s LEU 19 Cb -0.59 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 1gqb s LEU 19 CO 0.36 -0.17 0.12 -0.36 -1.32 0.00 0.00 176.35 174.98 1gqb s PHE 20 N 2.02 3.41 -0.14 5.38 0.08 0.13 -4.98 117.98 123.88 1gqb s PHE 20 Ca 0.15 0.30 -0.06 0.00 0.12 0.00 0.00 56.93 57.43 1gqb s PHE 20 Cb -0.16 -1.80 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1gqb s PHE 20 CO 0.10 0.60 0.31 0.34 -0.10 0.00 0.00 175.22 176.47 1gqb s ASP 21 N -1.69 -0.14 -0.00 1.36 -1.08 -1.26 -1.24 116.67 112.62 1gqb s ASP 21 Ca 0.23 0.69 0.10 0.00 -0.52 0.00 0.00 52.55 53.05 1gqb s ASP 21 Cb -0.12 0.71 0.28 0.00 -1.46 0.00 0.00 42.92 42.32 1gqb s ASP 21 CO 0.14 -0.20 1.23 0.18 0.52 0.00 0.00 175.17 177.04 1gqb n LEU 22 N 4.72 2.84 0.22 -1.34 4.77 -0.53 -4.63 117.00 123.06 1gqb n LEU 22 Ca -0.17 -2.02 0.16 0.00 -0.03 0.00 0.00 56.01 53.96 1gqb n LEU 22 Cb 0.52 -0.21 0.83 0.00 -2.33 0.00 0.00 43.42 42.22 1gqb n LEU 22 CO 0.07 0.71 1.14 0.77 -1.33 0.00 0.00 177.39 178.75 1gqb h SER 23 N 1.81 0.00 0.60 -1.43 4.64 -1.91 0.13 113.55 117.38 1gqb h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqb h SER 23 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1gqb h SER 23 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1gqb n SER 24 N -3.89 0.51 -0.64 4.97 3.41 -1.26 -1.85 113.62 114.87 1gqb n SER 24 Ca 0.01 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1gqb n SER 24 Cb 0.27 -0.74 0.22 0.00 -0.26 0.00 0.00 64.21 63.70 1gqb n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gqb n LEU 25 N -2.08 2.14 -4.86 1.04 4.77 0.44 -4.98 117.00 113.47 1gqb n LEU 25 Ca 0.02 -0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.99 1gqb n LEU 25 Cb 0.19 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1gqb n LEU 25 CO 0.17 0.37 0.76 -0.94 -1.33 0.00 0.00 177.39 176.42 1gqb s SER 26 N -2.18 4.06 0.00 -1.43 1.04 -0.77 -4.32 113.70 110.10 1gqb s SER 26 Ca 0.28 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1gqb s SER 26 Cb 0.20 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1gqb s SER 26 CO 0.40 -2.19 0.00 0.61 0.98 0.00 0.00 173.24 173.04 1gqb n GLY 27 N -2.90 4.26 0.18 7.32 0.00 -1.26 -4.89 105.19 107.90 1gqb n GLY 27 Ca 0.08 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.82 1gqb n GLY 27 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gqb h ARG 28 N 0.00 0.00 -0.80 1.61 3.08 -1.95 -2.98 114.38 113.35 1gqb h ARG 28 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1gqb h ARG 28 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1gqb h ARG 28 CO 0.00 0.43 0.36 0.00 -1.07 0.00 0.00 179.97 179.69 1gqb h ALA 29 N 1.57 1.04 -0.71 0.04 0.00 -1.92 -1.59 119.26 117.68 1gqb h ALA 29 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gqb h ALA 29 Cb 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1gqb h ALA 29 CO 0.06 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1gqb n GLY 30 N -0.96 1.57 3.22 0.00 0.00 -1.12 -4.78 105.19 103.13 1gqb n GLY 30 Ca 0.07 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1gqb n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqb n PHE 31 N 5.45 -0.65 -4.07 1.61 3.01 0.87 -4.99 117.46 118.69 1gqb n PHE 31 Ca 0.00 -2.77 -0.08 0.00 1.01 0.00 0.00 57.45 55.60 1gqb n PHE 31 Cb 0.00 0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.61 1gqb n PHE 31 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1gqb s THR 32 N -3.31 0.29 -0.02 4.37 -4.23 -1.26 -1.36 115.64 110.12 1gqb s THR 32 Ca 0.37 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1gqb s THR 32 Cb 0.02 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 1gqb s THR 32 CO 0.26 -0.81 -0.22 0.00 -0.54 0.00 0.00 174.62 173.31 1gqb s ALA 33 N -3.08 1.83 0.33 3.99 0.00 0.38 -4.49 121.76 120.72 1gqb s ALA 33 Ca 0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 1gqb s ALA 33 Cb 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 1gqb s ALA 33 CO -0.06 0.45 1.42 0.00 0.00 0.00 0.00 175.76 177.57 1gqb s ALA 34 N -0.52 3.57 -0.06 0.00 0.00 -1.26 -0.44 121.76 123.05 1gqb s ALA 34 Ca 0.08 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1gqb s ALA 34 Cb -0.08 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1gqb s ALA 34 CO -0.01 -0.85 -0.10 -0.47 0.00 0.00 0.00 175.76 174.34 1gqb s TYR 35 N -0.83 1.24 0.00 0.00 5.04 0.30 -4.32 117.35 118.78 1gqb s TYR 35 Ca 0.53 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1gqb s TYR 35 Cb -0.43 -0.95 0.00 0.00 0.35 0.00 0.00 41.96 40.93 1gqb s TYR 35 CO 0.55 -0.25 0.00 0.45 -1.34 0.00 0.00 175.55 174.95 1gqb n SER 36 N 3.89 -2.03 0.13 4.32 2.88 -1.26 -1.33 113.62 120.22 1gqb n SER 36 Ca -0.24 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.17 1gqb n SER 36 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1gqb n SER 36 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1gqb h GLU 37 N 0.00 -0.28 0.00 -1.46 4.39 -2.05 -3.39 114.58 111.79 1gqb h GLU 37 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1gqb h GLU 37 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1gqb h GLU 37 CO 0.00 -0.10 -0.63 1.63 -1.16 0.00 0.00 179.01 178.75 1gqb n LYS 38 N -5.17 2.14 -2.23 2.33 4.01 -1.25 -5.09 118.16 112.91 1gqb n LYS 38 Ca -0.09 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.44 1gqb n LYS 38 Cb 0.18 -0.80 0.14 0.00 -0.51 0.00 0.00 35.03 34.04 1gqb n LYS 38 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1gqb s GLY 39 N -1.45 1.76 0.27 0.72 0.00 -0.44 -4.93 107.32 103.25 1gqb s GLY 39 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 1gqb s GLY 39 CO 0.00 -0.73 0.37 0.48 0.00 0.00 0.00 173.10 173.22 1gqb s LEU 40 N -5.50 0.88 -0.09 0.66 0.05 -1.26 -0.54 118.68 112.89 1gqb s LEU 40 Ca 0.69 -1.30 0.04 0.00 0.05 0.00 0.00 54.13 53.61 1gqb s LEU 40 Cb -0.06 1.21 0.00 0.00 -2.05 0.00 0.00 46.19 45.29 1gqb s LEU 40 CO 0.48 -1.11 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.26 1gqb s VAL 41 N -3.69 1.92 0.19 1.48 1.01 0.42 -0.57 120.40 121.15 1gqb s VAL 41 Ca 0.31 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1gqb s VAL 41 Cb 0.02 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1gqb s VAL 41 CO 0.15 0.53 0.83 -0.31 0.00 0.00 0.00 175.10 176.30 1gqb s TYR 42 N 0.30 3.93 -0.17 5.22 2.02 -0.29 -0.47 117.35 127.89 1gqb s TYR 42 Ca -0.16 1.73 -0.14 0.00 -0.37 0.00 0.00 57.07 58.13 1gqb s TYR 42 Cb -0.17 -2.85 0.05 0.00 -0.40 0.00 0.00 41.96 38.59 1gqb s TYR 42 CO 0.07 0.48 0.43 0.00 -1.57 0.00 0.00 175.55 174.97 1gqb s MET 43 N -1.10 0.48 0.08 -0.62 0.23 -0.47 -1.70 119.30 116.20 1gqb s MET 43 Ca 0.38 0.66 0.05 0.00 -1.03 0.00 0.00 55.69 55.75 1gqb s MET 43 Cb -0.24 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 1gqb s MET 43 CO 0.28 -0.09 -0.04 -1.12 -2.03 0.00 0.00 175.02 172.03 1gqb s SER 44 N 0.53 4.80 -0.24 -1.18 0.01 -0.52 -0.09 113.70 117.02 1gqb s SER 44 Ca -0.02 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 1gqb s SER 44 Cb -0.04 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1gqb s SER 44 CO -0.03 0.20 0.09 -0.63 0.41 0.00 0.00 173.24 173.28 1gqb s ILE 45 N -1.23 4.62 -1.30 1.44 -1.09 -1.26 -4.47 121.20 117.92 1gqb s ILE 45 Ca 0.23 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1gqb s ILE 45 Cb -0.11 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 1gqb s ILE 45 CO 0.15 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 1gqb n GLY 47 N -1.02 1.18 3.76 0.00 0.00 -1.26 -4.67 105.19 103.18 1gqb n GLY 47 Ca -0.18 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1gqb n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gqb s GLU 48 N -2.00 2.35 -0.12 1.61 -1.05 -1.26 -4.44 118.70 113.78 1gqb s GLU 48 Ca 0.00 1.33 -0.05 0.00 -0.15 0.00 0.00 54.97 56.10 1gqb s GLU 48 Cb 0.00 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 1gqb s GLU 48 CO 0.00 -1.59 0.05 1.21 0.95 0.00 0.00 175.26 175.88 1gqb s ASN 49 N -2.92 5.65 0.41 0.83 3.84 -0.35 -4.37 114.94 118.03 1gqb s ASN 49 Ca 0.65 0.21 0.29 0.00 0.21 0.00 0.00 52.86 54.21 1gqb s ASN 49 Cb -0.20 -1.78 1.34 0.00 -0.55 0.00 0.00 41.25 40.06 1gqb s ASN 49 CO 0.50 0.33 1.87 1.05 -2.79 0.00 0.00 177.10 178.05 1gqb h GLU 50 N 5.57 0.00 -0.01 0.43 4.11 -1.59 -1.63 114.58 121.46 1gqb h GLU 50 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1gqb h GLU 50 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1gqb h GLU 50 CO 0.60 0.00 -0.36 0.09 0.07 0.00 0.00 179.01 179.41 1gqb n ASN 51 N -2.57 1.12 -4.83 3.06 3.02 -1.26 -4.94 115.26 108.86 1gqb n ASN 51 Ca 0.00 -0.91 -0.22 0.00 -0.03 0.00 0.00 54.58 53.42 1gqb n ASN 51 Cb 0.18 0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1gqb n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqb n PRO 53 N -1.37 -1.04 -1.87 0.00 -0.02 -1.26 -4.84 135.00 124.60 1gqb n PRO 53 Ca -0.00 -0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 60.82 1gqb n PRO 53 Cb 0.61 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1gqb n PRO 53 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gqb s PRO 54 N -4.46 4.14 0.00 0.52 0.02 -1.26 -1.62 135.00 132.34 1gqb s PRO 54 Ca 0.66 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1gqb s PRO 54 Cb -0.23 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1gqb s PRO 54 CO 0.61 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 1gqb n GLY 55 N 0.54 2.82 3.69 0.52 0.00 -1.26 -5.00 105.19 106.50 1gqb n GLY 55 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1gqb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqb s VAL 56 N -2.41 4.97 -0.38 1.61 1.01 -0.64 -1.27 120.40 123.29 1gqb s VAL 56 Ca 0.00 1.55 0.23 0.00 0.00 0.00 0.00 61.98 63.76 1gqb s VAL 56 Cb 0.00 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1gqb s VAL 56 CO 0.00 0.15 1.03 0.61 0.00 0.00 0.00 175.10 176.88 1gqb n GLY 57 N 3.27 -1.34 3.34 4.51 0.00 0.11 -1.21 105.19 113.86 1gqb n GLY 57 Ca 0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1gqb n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqb s ALA 58 N -3.31 -1.09 0.05 4.61 0.00 -1.15 -1.44 121.76 119.43 1gqb s ALA 58 Ca 0.01 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 1gqb s ALA 58 Cb 0.12 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.56 1gqb s ALA 58 CO 0.79 -0.21 0.50 0.00 0.00 0.00 0.00 175.76 176.85 1gqb s PHE 60 N -2.52 2.98 0.23 0.00 0.08 -0.52 -1.14 117.98 117.08 1gqb s PHE 60 Ca -0.05 0.90 -0.07 0.00 0.12 0.00 0.00 56.93 57.83 1gqb s PHE 60 Cb -0.01 -3.89 0.30 0.00 -0.57 0.00 0.00 43.02 38.85 1gqb s PHE 60 CO -0.02 -2.99 1.83 0.78 -0.10 0.00 0.00 175.22 174.71 1gqb h GLY 61 N 5.39 1.15 2.00 4.36 0.00 -1.19 0.20 103.07 114.99 1gqb h GLY 61 Ca -0.45 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.44 1gqb h GLY 61 CO 0.81 0.20 -0.57 -1.61 0.00 0.00 0.00 176.54 175.37 1gqb h GLN 62 N 0.82 0.00 0.00 4.80 5.75 -1.92 -3.37 115.11 121.19 1gqb h GLN 62 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1gqb h GLN 62 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1gqb h GLN 62 CO -0.19 0.57 -0.73 0.25 -2.65 0.00 0.00 178.83 176.08 1gqb n THR 63 N -3.50 0.00 -1.25 2.39 -2.24 -1.21 -5.02 114.28 103.45 1gqb n THR 63 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1gqb n THR 63 Cb 0.66 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1gqb n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gqb n ARG 64 N -1.10 -1.49 -2.07 -0.78 5.12 0.72 -4.98 116.66 112.07 1gqb n ARG 64 Ca 0.00 0.77 -0.42 0.00 -1.93 0.00 0.00 57.85 56.27 1gqb n ARG 64 Cb 0.01 -5.05 -0.03 0.00 -1.16 0.00 0.00 32.46 26.23 1gqb n ARG 64 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1gqb s ILE 65 N -1.88 2.94 0.17 0.55 1.01 -1.26 -4.25 121.20 118.49 1gqb s ILE 65 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 1gqb s ILE 65 Cb 0.00 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 1gqb s ILE 65 CO 0.00 0.08 1.12 -0.55 0.00 0.00 0.00 174.94 175.59 1gqb s SER 66 N 0.80 7.22 -0.21 3.58 0.15 -1.26 -1.45 113.70 122.54 1gqb s SER 66 Ca 0.63 2.11 0.13 0.00 0.70 0.00 0.00 55.95 59.53 1gqb s SER 66 Cb -0.40 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 61.73 1gqb s SER 66 CO 0.35 -0.26 1.28 1.33 1.20 0.00 0.00 173.24 177.14 1gqb n VAL 67 N 2.47 2.22 0.00 4.45 0.24 0.07 -0.66 118.33 127.12 1gqb n VAL 67 Ca 0.03 -2.72 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 1gqb n VAL 67 Cb 0.46 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1gqb n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gqb n GLY 68 N -1.14 4.04 3.74 7.63 0.00 -1.21 -1.99 105.19 116.26 1gqb n GLY 68 Ca 0.22 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1gqb n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqb s LYS 69 N -2.05 4.59 0.70 1.61 1.02 -0.40 -0.72 119.74 124.49 1gqb s LYS 69 Ca 0.00 1.75 -0.15 0.00 0.02 0.00 0.00 55.97 57.58 1gqb s LYS 69 Cb 0.00 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1gqb s LYS 69 CO 0.00 0.07 1.16 0.00 -0.92 0.00 0.00 175.35 175.67 1gqb s ALA 70 N -0.33 2.27 0.28 5.17 0.00 -0.40 -3.94 121.76 124.81 1gqb s ALA 70 Ca 0.49 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 1gqb s ALA 70 Cb -0.30 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.46 1gqb s ALA 70 CO 0.36 -1.61 0.84 0.54 0.00 0.00 0.00 175.76 175.88 1gqb s ASN 71 N -2.25 -0.12 -0.14 0.00 2.20 -1.26 -4.89 114.94 108.48 1gqb s ASN 71 Ca 0.71 -0.76 0.18 0.00 -0.94 0.00 0.00 52.86 52.05 1gqb s ASN 71 Cb -0.25 0.69 0.35 0.00 -2.00 0.00 0.00 41.25 40.03 1gqb s ASN 71 CO 0.43 -1.33 1.21 0.29 -2.94 0.00 0.00 177.10 174.76 1gqb n LYS 72 N -0.52 1.62 -2.32 3.55 5.02 -1.26 -3.93 118.16 120.32 1gqb n LYS 72 Ca -0.06 -2.67 -0.43 0.00 -2.02 0.00 0.00 58.31 53.14 1gqb n LYS 72 Cb 0.60 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1gqb n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gqb n ARG 73 N -1.24 3.24 -2.41 1.97 1.74 -1.26 -1.78 116.66 116.91 1gqb n ARG 73 Ca 0.17 -3.24 -0.41 0.00 -0.77 0.00 0.00 57.85 53.60 1gqb n ARG 73 Cb 0.70 -3.19 -0.03 0.00 -1.02 0.00 0.00 32.46 28.91 1gqb n ARG 73 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1gqb s LEU 74 N 1.91 4.45 0.14 0.55 2.96 -1.26 -4.65 118.68 122.77 1gqb s LEU 74 Ca 0.46 2.18 0.08 0.00 -0.22 0.00 0.00 54.13 56.62 1gqb s LEU 74 Cb 0.07 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1gqb s LEU 74 CO -0.01 -0.35 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.37 1gqb s ARG 75 N -0.11 1.16 -0.15 1.98 1.81 -0.36 -4.75 118.95 118.53 1gqb s ARG 75 Ca 0.53 -1.30 0.01 0.00 -1.72 0.00 0.00 55.73 53.24 1gqb s ARG 75 Cb -0.32 -1.20 -0.00 0.00 -0.45 0.00 0.00 34.95 32.98 1gqb s ARG 75 CO 0.35 0.25 -0.17 -0.47 -0.68 0.00 0.00 175.30 174.59 1gqb s TYR 76 N -1.89 2.75 -0.15 -0.53 5.04 -1.26 -0.73 117.35 120.58 1gqb s TYR 76 Ca 0.12 -1.07 -0.07 0.00 -2.44 0.00 0.00 57.07 53.61 1gqb s TYR 76 Cb -0.06 -1.87 0.07 0.00 0.35 0.00 0.00 41.96 40.45 1gqb s TYR 76 CO 0.05 -0.48 0.34 0.54 -1.34 0.00 0.00 175.55 174.65 1gqb s VAL 77 N 0.77 -0.30 -1.23 3.14 0.11 0.10 -4.96 120.40 118.03 1gqb s VAL 77 Ca -0.06 0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1gqb s VAL 77 Cb -0.15 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1gqb s VAL 77 CO 0.00 0.07 0.70 0.47 -3.33 0.00 0.00 175.10 173.01 1gqb n ASP 78 N 4.86 -3.24 0.00 3.54 8.00 -1.26 -1.64 116.55 126.81 1gqb n ASP 78 Ca -0.15 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1gqb n ASP 78 Cb 0.52 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 1gqb n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gqb n GLN 79 N -4.18 -0.07 -4.19 -1.24 3.00 -1.26 -4.99 117.38 104.45 1gqb n GLN 79 Ca -0.19 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 1gqb n GLN 79 Cb 0.64 -3.30 -0.08 0.00 0.00 0.00 0.00 30.24 27.50 1gqb n GLN 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1gqb s VAL 80 N -2.76 4.60 -0.10 5.09 1.01 -0.65 -4.59 120.40 123.00 1gqb s VAL 80 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1gqb s VAL 80 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1gqb s VAL 80 CO 0.00 0.47 0.11 -0.76 0.00 0.00 0.00 175.10 174.92 1gqb s LEU 81 N -1.35 4.21 -0.03 3.92 1.43 -0.26 -0.72 118.68 125.88 1gqb s LEU 81 Ca 0.18 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1gqb s LEU 81 Cb -0.12 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1gqb s LEU 81 CO 0.08 0.38 0.08 -1.58 0.23 0.00 0.00 176.35 175.55 1gqb s GLN 82 N -1.12 0.08 -0.02 1.70 0.74 0.09 0.36 119.66 121.49 1gqb s GLN 82 Ca 0.16 0.16 0.04 0.00 0.05 0.00 0.00 55.36 55.77 1gqb s GLN 82 Cb -0.12 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 1gqb s GLN 82 CO 0.05 -0.05 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.10 1gqb s LEU 83 N 0.33 2.81 -0.22 3.68 1.43 -0.25 -1.22 118.68 125.23 1gqb s LEU 83 Ca -0.02 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1gqb s LEU 83 Cb -0.04 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.64 1gqb s LEU 83 CO -0.01 0.31 -0.03 -0.69 0.23 0.00 0.00 176.35 176.16 1gqb s VAL 84 N -0.83 1.23 -0.47 -1.59 1.01 -1.26 -0.33 120.40 118.16 1gqb s VAL 84 Ca 0.13 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1gqb s VAL 84 Cb -0.11 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1gqb s VAL 84 CO 0.03 -0.11 0.52 -0.31 0.00 0.00 0.00 175.10 175.23 1gqb s TYR 85 N 1.53 3.13 0.55 5.22 2.02 0.04 -4.89 117.35 124.96 1gqb s TYR 85 Ca -0.04 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1gqb s TYR 85 Cb -0.18 -3.27 0.07 0.00 -0.40 0.00 0.00 41.96 38.18 1gqb s TYR 85 CO -0.07 -0.88 0.60 0.36 -1.57 0.00 0.00 175.55 173.99 1gqb n LYS 86 N 5.79 0.66 -3.38 -0.62 2.85 -1.25 -0.48 118.16 121.72 1gqb n LYS 86 Ca -0.08 -3.20 -0.18 0.00 -1.05 0.00 0.00 58.31 53.80 1gqb n LYS 86 Cb 0.46 0.06 0.08 0.00 -0.65 0.00 0.00 35.03 34.97 1gqb n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1gqb n ASP 87 N -2.10 -3.83 -2.79 -5.58 8.00 -1.26 -1.27 116.55 107.73 1gqb n ASP 87 Ca 0.07 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1gqb n ASP 87 Cb 0.60 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1gqb n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gqb n GLY 88 N -1.46 -1.50 3.79 0.44 0.00 0.46 -4.24 105.19 102.68 1gqb n GLY 88 Ca -0.14 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1gqb n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqb s SER 89 N -1.22 5.27 0.20 1.61 1.04 0.17 -4.44 113.70 116.32 1gqb s SER 89 Ca 0.00 1.83 -0.33 0.00 0.48 0.00 0.00 55.95 57.93 1gqb s SER 89 Cb 0.00 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.46 1gqb s SER 89 CO 0.00 -1.52 1.49 -2.65 0.98 0.00 0.00 173.24 171.55 1gqb n PRO 90 N -2.65 2.07 -3.69 4.02 -0.02 -1.26 -0.70 135.00 132.77 1gqb n PRO 90 Ca 0.09 0.74 -0.20 0.00 -2.02 0.00 0.00 63.50 62.11 1gqb n PRO 90 Cb 0.53 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1gqb n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqb s PRO 92 N -4.07 1.84 -0.15 0.00 0.02 -1.26 -4.66 135.00 126.72 1gqb s PRO 92 Ca 0.41 0.86 -0.08 0.00 0.02 0.00 0.00 61.00 62.21 1gqb s PRO 92 Cb -0.08 -4.70 0.06 0.00 0.02 0.00 0.00 34.50 29.79 1gqb s PRO 92 CO 0.29 -3.91 0.37 0.45 -0.33 0.00 0.00 177.00 173.87 1gqb s SER 93 N 11.35 -0.45 0.40 2.53 0.15 -1.26 -5.02 113.70 121.39 1gqb s SER 93 Ca 0.94 0.80 0.16 0.00 0.70 0.00 0.00 55.95 58.55 1gqb s SER 93 Cb -0.14 0.68 0.85 0.00 -1.71 0.00 0.00 66.02 65.69 1gqb s SER 93 CO 0.16 -0.19 1.86 0.11 1.20 0.00 0.00 173.24 176.38 1gqb h LYS 94 N 7.13 0.00 -0.69 5.44 1.57 -1.98 -2.96 116.57 125.08 1gqb h LYS 94 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1gqb h LYS 94 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1gqb h LYS 94 CO 0.32 0.32 0.00 -1.13 -0.57 0.00 0.00 179.45 178.39 1gqb n SER 95 N -3.92 3.86 0.00 0.86 3.41 -1.26 -4.97 113.62 111.61 1gqb n SER 95 Ca -0.02 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1gqb n SER 95 Cb 0.39 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1gqb n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqb n GLY 96 N 1.53 0.61 3.76 5.00 0.00 -1.12 -5.04 105.19 109.93 1gqb n GLY 96 Ca 0.24 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1gqb n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqb s LEU 97 N 0.00 2.86 0.12 0.99 1.43 -1.26 -4.90 118.68 117.92 1gqb s LEU 97 Ca 0.00 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.91 1gqb s LEU 97 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1gqb s LEU 97 CO 0.00 -2.15 -0.10 -0.44 0.23 0.00 0.00 176.35 173.89 1gqb s SER 98 N -3.42 4.36 0.38 2.29 0.01 -1.26 -1.50 113.70 114.56 1gqb s SER 98 Ca 0.62 -0.43 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 1gqb s SER 98 Cb -0.17 -0.81 -0.09 0.00 0.21 0.00 0.00 66.02 65.16 1gqb s SER 98 CO 0.56 0.16 1.21 -0.31 0.41 0.00 0.00 173.24 175.27 1gqb s TYR 99 N -1.34 3.06 0.09 2.43 2.02 0.12 -4.69 117.35 119.04 1gqb s TYR 99 Ca 0.22 1.52 -0.00 0.00 -0.37 0.00 0.00 57.07 58.44 1gqb s TYR 99 Cb -0.10 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 37.94 1gqb s TYR 99 CO 0.14 -1.47 -0.02 -1.59 -1.57 0.00 0.00 175.55 171.04 1gqb s LYS 100 N -2.14 0.77 -0.08 -0.62 -2.85 -0.68 -0.40 119.74 113.73 1gqb s LYS 100 Ca 0.55 -1.32 0.04 0.00 -1.00 0.00 0.00 55.97 54.24 1gqb s LYS 100 Cb -0.33 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.52 1gqb s LYS 100 CO 0.43 -0.12 -0.21 -1.12 0.10 0.00 0.00 175.35 174.42 1gqb s SER 101 N -2.99 2.77 -0.22 0.03 0.01 0.37 -1.58 113.70 112.09 1gqb s SER 101 Ca 0.13 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1gqb s SER 101 Cb 0.07 -1.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1gqb s SER 101 CO -0.05 0.14 0.03 -0.69 0.41 0.00 0.00 173.24 173.08 1gqb s VAL 102 N 0.32 4.14 -0.28 3.43 1.01 0.70 -0.78 120.40 128.95 1gqb s VAL 102 Ca -0.15 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1gqb s VAL 102 Cb -0.17 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.39 1gqb s VAL 102 CO 0.07 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 1gqb s ILE 103 N 1.18 2.03 -0.24 2.22 1.01 0.55 -0.30 121.20 127.65 1gqb s ILE 103 Ca 0.04 -1.74 -0.08 0.00 0.00 0.00 0.00 60.65 58.87 1gqb s ILE 103 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1gqb s ILE 103 CO 0.02 -0.22 0.08 -0.44 0.00 0.00 0.00 174.94 174.38 1gqb s SER 104 N 1.12 5.28 -0.26 3.58 0.01 -0.93 -1.09 113.70 121.41 1gqb s SER 104 Ca -0.02 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 1gqb s SER 104 Cb -0.19 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1gqb s SER 104 CO -0.07 0.00 0.13 -0.36 0.41 0.00 0.00 173.24 173.35 1gqb s PHE 105 N 1.41 3.16 0.13 2.43 0.40 0.16 -0.52 117.98 125.14 1gqb s PHE 105 Ca 0.05 -0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.33 1gqb s PHE 105 Cb -0.15 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 1gqb s PHE 105 CO 0.04 -0.23 -0.16 0.14 0.70 0.00 0.00 175.22 175.71 1gqb s VAL 106 N 1.60 2.94 0.15 -0.44 -7.23 -0.54 -1.10 120.40 115.78 1gqb s VAL 106 Ca 0.07 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 1gqb s VAL 106 Cb -0.15 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 1gqb s VAL 106 CO 0.07 0.06 1.47 0.00 -0.31 0.00 0.00 175.10 176.39 1gqb s ARG 108 N 1.03 1.68 0.45 0.00 3.52 -0.43 -4.67 118.95 120.53 1gqb s ARG 108 Ca 0.67 -1.11 0.14 0.00 -0.13 0.00 0.00 55.73 55.30 1gqb s ARG 108 Cb -0.40 -2.65 1.06 0.00 -1.56 0.00 0.00 34.95 31.40 1gqb s ARG 108 CO 0.31 -0.63 2.03 -1.35 -0.81 0.00 0.00 175.30 174.85 1gqb h PRO 109 N 7.91 0.33 0.00 5.12 0.11 -1.92 -1.74 132.00 141.80 1gqb h PRO 109 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1gqb h PRO 109 Cb 1.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1gqb h PRO 109 CO 0.43 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1gqb n GLU 110 N -4.47 0.00 -2.66 1.05 -0.58 -1.26 -4.79 120.64 107.93 1gqb n GLU 110 Ca 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1gqb n GLU 110 Cb 0.27 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.20 1gqb n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1gqb n ASN 115 N 0.00 -1.11 -4.18 1.62 5.15 -1.26 -4.78 115.26 110.69 1gqb n ASN 115 Ca 0.00 -1.66 -0.29 0.00 -0.60 0.00 0.00 54.58 52.03 1gqb n ASN 115 Cb 0.00 1.05 -0.16 0.00 -0.53 0.00 0.00 39.78 40.14 1gqb n ASN 115 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1gqb s ARG 116 N 0.02 2.28 0.66 1.20 3.52 -1.26 -5.11 118.95 120.27 1gqb s ARG 116 Ca 0.12 -0.74 -0.15 0.00 -0.13 0.00 0.00 55.73 54.83 1gqb s ARG 116 Cb 0.18 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 1gqb s ARG 116 CO -0.12 0.25 1.13 -1.25 -0.81 0.00 0.00 175.30 174.50 1gqb s PRO 117 N 0.10 2.72 -0.01 5.12 0.04 -1.26 -4.73 135.00 136.99 1gqb s PRO 117 Ca -0.08 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1gqb s PRO 117 Cb -0.14 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1gqb s PRO 117 CO 0.04 -1.32 -0.08 -1.64 0.04 0.00 0.00 177.00 174.04 1gqb s MET 118 N -4.02 0.70 -0.30 4.56 -1.94 0.25 -4.51 119.30 114.03 1gqb s MET 118 Ca 0.68 -0.29 -0.25 0.00 -1.71 0.00 0.00 55.69 54.12 1gqb s MET 118 Cb -0.22 -0.67 0.01 0.00 2.01 0.00 0.00 34.83 35.95 1gqb s MET 118 CO 0.41 0.17 0.88 -1.17 -0.01 0.00 0.00 175.02 175.30 1gqb s LEU 119 N -0.14 4.05 -0.12 -0.03 2.96 -1.26 -0.34 118.68 123.80 1gqb s LEU 119 Ca 0.02 0.85 0.18 0.00 -0.22 0.00 0.00 54.13 54.95 1gqb s LEU 119 Cb -0.04 -3.24 -0.26 0.00 0.50 0.00 0.00 46.19 43.15 1gqb s LEU 119 CO -0.00 -0.68 0.21 2.30 -1.32 0.00 0.00 176.35 176.86 1gqb n ILE 120 N 5.58 0.73 -3.69 6.68 -5.35 0.68 -4.96 119.36 119.03 1gqb n ILE 120 Ca 0.07 -0.63 -0.14 0.00 -0.27 0.00 0.00 62.75 61.77 1gqb n ILE 120 Cb 0.48 -0.28 -0.09 0.00 -1.74 0.00 0.00 39.64 38.01 1gqb n ILE 120 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1gqb s SER 121 N -4.82 -0.47 -0.32 7.28 0.15 -1.08 -5.03 113.70 109.40 1gqb s SER 121 Ca -0.08 0.78 0.03 0.00 0.70 0.00 0.00 55.95 57.38 1gqb s SER 121 Cb 0.08 0.81 0.09 0.00 -1.71 0.00 0.00 66.02 65.29 1gqb s SER 121 CO 0.77 -0.29 0.02 -0.22 1.20 0.00 0.00 173.24 174.71 1gqb s LEU 122 N -0.27 4.42 -0.52 3.45 0.20 -1.26 -0.06 118.68 124.64 1gqb s LEU 122 Ca -0.04 -1.92 -0.26 0.00 0.69 0.00 0.00 54.13 52.59 1gqb s LEU 122 Cb -0.03 -1.62 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1gqb s LEU 122 CO 0.03 -0.34 1.03 -0.62 -0.29 0.00 0.00 176.35 176.16 1gqb s ASP 123 N 1.02 6.46 0.60 3.68 3.68 0.42 -4.85 116.67 127.69 1gqb s ASP 123 Ca 0.05 0.04 0.33 0.00 2.13 0.00 0.00 52.55 55.10 1gqb s ASP 123 Cb -0.20 -2.49 1.93 0.00 -1.45 0.00 0.00 42.92 40.72 1gqb s ASP 123 CO -0.07 -1.24 2.27 0.11 0.13 0.00 0.00 175.17 176.38 1gqb h LYS 124 N 9.28 0.00 -0.19 4.34 1.79 -1.96 -0.74 116.57 129.09 1gqb h LYS 124 Ca -0.25 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 1gqb h LYS 124 Cb 1.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1gqb h LYS 124 CO 1.10 0.01 -0.20 0.37 -1.08 0.00 0.00 179.45 179.65 1gqb h GLN 125 N 0.00 0.33 0.00 3.15 4.15 -1.96 -3.17 115.11 117.61 1gqb h GLN 125 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1gqb h GLN 125 Cb 0.02 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1gqb h GLN 125 CO 0.00 0.52 0.00 0.25 -1.93 0.00 0.00 178.83 177.67 1gqb n THR 126 N -4.19 0.30 -4.07 2.39 -2.24 -1.06 -5.01 114.28 100.41 1gqb n THR 126 Ca -0.00 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 1gqb n THR 126 Cb 0.34 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1gqb n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqb s THR 128 N -3.64 3.42 -0.22 0.00 2.01 -1.00 -1.68 115.64 114.53 1gqb s THR 128 Ca 0.37 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.63 1gqb s THR 128 Cb -0.20 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 1gqb s THR 128 CO 0.90 0.46 0.76 -0.76 -0.69 0.00 0.00 174.62 175.29 1gqb s LEU 129 N 0.98 4.11 -0.23 4.42 1.02 -0.61 -0.44 118.68 127.93 1gqb s LEU 129 Ca -0.00 0.97 -0.08 0.00 0.02 0.00 0.00 54.13 55.04 1gqb s LEU 129 Cb -0.15 -3.08 -0.04 0.00 0.02 0.00 0.00 46.19 42.94 1gqb s LEU 129 CO 0.00 -0.42 0.09 -0.36 0.02 0.00 0.00 176.35 175.68 1gqb s PHE 130 N 2.46 3.18 0.18 0.29 0.08 0.91 -0.21 117.98 124.87 1gqb s PHE 130 Ca 0.33 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.36 1gqb s PHE 130 Cb -0.16 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1gqb s PHE 130 CO 0.09 -0.12 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.90 1gqb s PHE 131 N 1.16 2.55 0.09 0.36 0.08 0.59 -0.23 117.98 122.59 1gqb s PHE 131 Ca 0.05 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.91 1gqb s PHE 131 Cb -0.14 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1gqb s PHE 131 CO 0.04 0.51 -0.16 -1.54 -0.10 0.00 0.00 175.22 173.97 1gqb s SER 132 N -2.80 1.98 -0.20 1.36 1.04 0.53 -2.19 113.70 113.43 1gqb s SER 132 Ca 0.24 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1gqb s SER 132 Cb -0.09 -0.08 0.10 0.00 0.10 0.00 0.00 66.02 66.06 1gqb s SER 132 CO 0.14 -0.06 0.26 0.86 0.98 0.00 0.00 173.24 175.42 1gqb s TRP 133 N -1.46 -0.40 -0.29 5.02 -0.11 0.32 -0.59 118.94 121.43 1gqb s TRP 133 Ca 0.03 0.41 -0.25 0.00 1.22 0.00 0.00 56.10 57.51 1gqb s TRP 133 Cb -0.09 -0.26 0.00 0.00 -1.50 0.00 0.00 33.47 31.63 1gqb s TRP 133 CO 0.03 -0.60 0.85 -1.01 -4.62 0.00 0.00 176.95 171.60 1gqb s HIS 134 N 2.38 3.22 -0.07 5.86 3.76 -1.26 -1.47 115.29 127.70 1gqb s HIS 134 Ca 0.08 0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 55.80 1gqb s HIS 134 Cb -0.15 -3.27 0.03 0.00 1.11 0.00 0.00 32.58 30.30 1gqb s HIS 134 CO -0.12 -0.57 0.34 -0.08 -0.85 0.00 0.00 174.74 173.45 1gqb s THR 135 N 3.06 0.03 -0.42 1.30 -1.32 -0.56 -4.56 115.64 113.17 1gqb s THR 135 Ca 0.35 -0.24 0.20 0.00 -1.21 0.00 0.00 61.69 60.79 1gqb s THR 135 Cb -0.14 -0.56 0.20 0.00 -1.51 0.00 0.00 72.50 70.49 1gqb s THR 135 CO 0.12 -0.13 1.60 -0.81 -2.21 0.00 0.00 174.62 173.19 1gqb n PRO 136 N 2.04 0.14 0.18 7.08 -0.04 -0.66 -1.31 135.00 142.43 1gqb n PRO 136 Ca -0.17 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1gqb n PRO 136 Cb 0.57 -1.86 0.53 0.00 -0.04 0.00 0.00 33.50 32.70 1gqb n PRO 136 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1gqb h LEU 137 N 0.00 0.00 -2.54 1.53 3.38 -1.92 -2.90 115.31 112.86 1gqb h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqb h LEU 137 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1gqb h LEU 137 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1gqb n ALA 138 N -1.88 2.40 -2.64 1.53 0.00 -0.63 -4.55 120.51 114.73 1gqb n ALA 138 Ca 0.02 -1.15 -0.33 0.00 0.00 0.00 0.00 53.44 51.98 1gqb n ALA 138 Cb 0.28 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 1gqb n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50