#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqb n ASP 8 N 0.00 0.10 -2.24 -2.24 5.75 -1.04 -4.80 116.55 112.08 1gqb n ASP 8 Ca 0.00 -2.01 -0.21 0.00 -0.01 0.00 0.00 54.79 52.56 1gqb n ASP 8 Cb 0.00 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1gqb n ASP 8 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gqb s GLN 10 N -4.86 0.40 -0.13 0.00 -0.21 -1.26 -1.93 119.66 111.66 1gqb s GLN 10 Ca 0.00 -0.51 -0.27 0.00 0.02 0.00 0.00 55.36 54.60 1gqb s GLN 10 Cb 0.00 0.16 0.07 0.00 1.00 0.00 0.00 33.01 34.23 1gqb s GLN 10 CO 0.00 -0.08 0.67 0.54 -2.12 0.00 0.00 175.29 174.29 1gqb s VAL 11 N -1.44 0.00 -0.11 1.09 0.11 -0.58 -4.58 120.40 114.89 1gqb s VAL 11 Ca -0.15 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 1gqb s VAL 11 Cb -0.09 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1gqb s VAL 11 CO 0.00 -0.01 0.06 0.28 -3.33 0.00 0.00 175.10 172.10 1gqb s THR 12 N -0.56 4.78 -0.23 5.04 -1.32 -1.26 -0.28 115.64 121.81 1gqb s THR 12 Ca -0.07 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 1gqb s THR 12 Cb -0.02 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 1gqb s THR 12 CO 0.06 0.60 1.17 0.21 -2.21 0.00 0.00 174.62 174.45 1gqb s ASN 13 N -0.82 6.94 0.45 8.08 2.47 0.53 -4.91 114.94 127.68 1gqb s ASN 13 Ca 0.13 1.40 0.23 0.00 0.42 0.00 0.00 52.86 55.05 1gqb s ASN 13 Cb -0.12 -2.54 1.05 0.00 -1.45 0.00 0.00 41.25 38.19 1gqb s ASN 13 CO 0.03 -0.81 1.90 1.55 -3.72 0.00 0.00 177.10 176.04 1gqb h PRO 14 N 8.15 0.00 0.00 0.43 0.13 -1.94 1.45 132.00 140.22 1gqb h PRO 14 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1gqb h PRO 14 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1gqb h PRO 14 CO 0.99 0.23 0.00 0.77 -0.23 0.00 0.00 178.00 179.76 1gqb h SER 15 N 0.00 0.00 0.00 1.44 0.02 -1.98 -3.33 113.55 109.70 1gqb h SER 15 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gqb h SER 15 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1gqb h SER 15 CO 0.03 0.00 -0.28 0.35 -1.14 0.00 0.00 176.83 175.79 1gqb n THR 16 N -2.74 0.00 -0.96 -2.27 -2.24 -0.95 -5.00 114.28 100.11 1gqb n THR 16 Ca 0.04 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1gqb n THR 16 Cb 0.44 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.27 0.40 3.71 3.38 0.00 0.49 -4.98 105.19 109.46 1gqb n GLY 17 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gqb n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqb s HIS 18 N -1.93 3.39 -0.24 1.61 5.65 -1.18 -4.75 115.29 117.83 1gqb s HIS 18 Ca 0.00 1.24 -0.15 0.00 0.25 0.00 0.00 55.06 56.39 1gqb s HIS 18 Cb 0.00 -3.46 -0.04 0.00 -1.18 0.00 0.00 32.58 27.90 1gqb s HIS 18 CO 0.00 -1.46 0.39 -1.17 -0.65 0.00 0.00 174.74 171.85 1gqb s LEU 19 N 1.13 4.08 0.02 8.88 2.96 -1.26 -0.35 118.68 134.14 1gqb s LEU 19 Ca 0.60 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1gqb s LEU 19 Cb -0.30 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 1gqb s LEU 19 CO 0.29 -0.15 0.31 -0.36 -1.32 0.00 0.00 176.35 175.11 1gqb s PHE 20 N 1.81 3.60 -0.08 5.38 0.08 0.62 -4.97 117.98 124.42 1gqb s PHE 20 Ca 0.17 0.67 -0.03 0.00 0.12 0.00 0.00 56.93 57.85 1gqb s PHE 20 Cb -0.15 -2.06 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1gqb s PHE 20 CO 0.09 0.60 0.16 0.34 -0.10 0.00 0.00 175.22 176.31 1gqb s ASP 21 N -1.60 0.21 -0.05 1.36 2.15 -1.26 -1.53 116.67 115.94 1gqb s ASP 21 Ca 0.28 0.34 0.15 0.00 0.43 0.00 0.00 52.55 53.74 1gqb s ASP 21 Cb -0.14 0.25 0.48 0.00 -0.30 0.00 0.00 42.92 43.22 1gqb s ASP 21 CO 0.15 -0.19 1.41 0.18 -0.17 0.00 0.00 175.17 176.55 1gqb n LEU 22 N 4.66 3.63 -0.33 -1.34 4.77 -0.81 -4.62 117.00 122.95 1gqb n LEU 22 Ca -0.18 -2.26 0.22 0.00 -0.03 0.00 0.00 56.01 53.75 1gqb n LEU 22 Cb 0.51 -0.40 0.47 0.00 -2.33 0.00 0.00 43.42 41.68 1gqb n LEU 22 CO 0.12 0.78 1.20 0.28 -1.33 0.00 0.00 177.39 178.44 1gqb h SER 23 N 2.77 0.51 0.40 -1.43 0.02 -1.92 0.30 113.55 114.20 1gqb h SER 23 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1gqb h SER 23 Cb 1.04 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1gqb h SER 23 CO 0.09 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.32 1gqb n SER 24 N -4.71 0.64 -0.93 3.07 3.41 -1.26 -0.05 113.62 113.79 1gqb n SER 24 Ca 0.26 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.71 1gqb n SER 24 Cb 0.86 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.27 2.84 -4.96 1.04 4.77 0.11 -5.00 117.00 113.54 1gqb n LEU 25 Ca 0.00 -1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 54.65 1gqb n LEU 25 Cb 0.14 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1gqb n LEU 25 CO 0.15 0.53 0.74 -0.94 -1.33 0.00 0.00 177.39 176.55 1gqb s SER 26 N -1.81 3.64 0.00 -1.43 1.04 0.93 -4.21 113.70 111.86 1gqb s SER 26 Ca 0.33 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1gqb s SER 26 Cb 0.21 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1gqb s SER 26 CO 0.31 -2.37 0.00 0.61 0.98 0.00 0.00 173.24 172.77 1gqb n GLY 27 N -3.38 3.34 0.19 7.32 0.00 -1.26 -4.82 105.19 106.59 1gqb n GLY 27 Ca 0.15 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.46 1.61 3.08 -1.95 -3.14 114.38 113.51 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 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1gqb h ARG 28 CO 0.00 0.34 0.18 0.00 -1.07 0.00 0.00 179.97 179.43 1gqb h ALA 29 N 1.66 0.60 -0.85 0.04 0.00 -1.90 0.49 119.26 119.29 1gqb h ALA 29 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gqb h ALA 29 Cb 0.92 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1gqb h ALA 29 CO 0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1gqb n GLY 30 N -0.78 1.09 3.08 0.00 0.00 -1.19 -4.77 105.19 102.61 1gqb n GLY 30 Ca 0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 0.60 -0.77 -4.11 1.61 3.01 0.47 -4.99 117.46 113.29 1gqb n PHE 31 Ca 0.00 -2.69 -0.10 0.00 1.01 0.00 0.00 57.45 55.67 1gqb n PHE 31 Cb 0.00 0.28 -0.10 0.00 -0.01 0.00 0.00 39.48 39.65 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 -3.30 0.50 -0.00 4.37 -4.23 -1.26 -0.90 115.64 110.82 1gqb s THR 32 Ca 0.38 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1gqb s THR 32 Cb 0.02 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 1gqb s THR 32 CO 0.27 -0.74 -0.21 0.00 -0.54 0.00 0.00 174.62 173.40 1gqb s ALA 33 N -2.93 1.73 0.31 3.99 0.00 -0.44 -4.47 121.76 119.95 1gqb s ALA 33 Ca 0.03 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1gqb s ALA 33 Cb 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 1gqb s ALA 33 CO -0.04 0.42 1.29 0.00 0.00 0.00 0.00 175.76 177.42 1gqb s ALA 34 N -0.57 3.50 -0.06 0.00 0.00 -1.26 -0.50 121.76 122.87 1gqb s ALA 34 Ca 0.08 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1gqb s ALA 34 Cb -0.08 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1gqb s ALA 34 CO -0.00 -0.57 -0.07 -0.47 0.00 0.00 0.00 175.76 174.65 1gqb s TYR 35 N -0.96 1.04 0.00 0.00 5.04 -0.83 -4.39 117.35 117.25 1gqb s TYR 35 Ca 0.50 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 1gqb s TYR 35 Cb -0.39 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.07 1gqb s TYR 35 CO 0.49 -0.26 0.00 0.45 -1.34 0.00 0.00 175.55 174.90 1gqb n SER 36 N 4.13 -0.86 -0.03 4.32 2.88 -1.26 -1.10 113.62 121.69 1gqb n SER 36 Ca -0.22 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.18 1gqb n SER 36 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.09 0.00 -1.46 3.07 -2.05 -3.40 114.58 110.83 1gqb h GLU 37 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1gqb h GLU 37 Cb 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1gqb h GLU 37 CO 0.00 0.73 0.00 1.63 -1.40 0.00 0.00 179.01 179.97 1gqb n LYS 38 N -4.68 -0.35 -1.78 2.33 5.02 -1.25 -5.08 118.16 112.35 1gqb n LYS 38 Ca -0.09 -0.44 -0.11 0.00 -2.02 0.00 0.00 58.31 55.65 1gqb n LYS 38 Cb 0.37 -0.84 0.05 0.00 -0.02 0.00 0.00 35.03 34.59 1gqb n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gqb n GLY 39 N -0.04 1.29 3.83 0.72 0.00 -0.26 -4.98 105.19 105.74 1gqb n GLY 39 Ca 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.88 1gqb n GLY 39 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1gqb s LEU 40 N 0.00 -0.22 -0.12 0.99 0.05 -1.25 -1.96 118.68 116.18 1gqb s LEU 40 Ca 0.32 -0.57 0.03 0.00 0.05 0.00 0.00 54.13 53.96 1gqb s LEU 40 Cb -0.02 2.55 0.00 0.00 -2.05 0.00 0.00 46.19 46.67 1gqb s LEU 40 CO 0.21 -1.22 -0.23 -0.69 -0.55 0.00 0.00 176.35 173.87 1gqb s VAL 41 N -3.62 2.09 0.23 1.48 1.01 0.34 -0.19 120.40 121.75 1gqb s VAL 41 Ca 0.12 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1gqb s VAL 41 Cb -0.04 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1gqb s VAL 41 CO 0.06 0.55 0.88 -0.31 0.00 0.00 0.00 175.10 176.28 1gqb s TYR 42 N 0.51 3.91 -0.18 5.22 2.02 0.18 -1.32 117.35 127.69 1gqb s TYR 42 Ca -0.14 1.79 -0.14 0.00 -0.37 0.00 0.00 57.07 58.20 1gqb s TYR 42 Cb -0.17 -2.89 0.05 0.00 -0.40 0.00 0.00 41.96 38.55 1gqb s TYR 42 CO 0.05 0.44 0.47 0.00 -1.57 0.00 0.00 175.55 174.94 1gqb s MET 43 N -1.32 0.52 0.09 -0.62 0.23 -0.08 -1.68 119.30 116.43 1gqb s MET 43 Ca 0.41 0.73 0.05 0.00 -1.03 0.00 0.00 55.69 55.85 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 0.29 -0.10 -0.04 -1.12 -2.03 0.00 0.00 175.02 172.03 1gqb s SER 44 N 0.65 4.81 -0.26 -1.18 0.01 0.17 -0.40 113.70 117.50 1gqb s SER 44 Ca -0.03 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 1gqb s SER 44 Cb -0.05 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.05 1gqb s SER 44 CO -0.04 0.19 0.15 -0.63 0.41 0.00 0.00 173.24 173.32 1gqb s ILE 45 N -1.25 5.09 -1.37 1.44 -1.09 -1.26 -4.40 121.20 118.36 1gqb s ILE 45 Ca 0.24 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1gqb s ILE 45 Cb -0.11 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1gqb s ILE 45 CO 0.16 0.30 0.00 0.00 -1.23 0.00 0.00 174.94 174.17 1gqb n GLY 47 N -1.02 0.41 3.77 0.00 0.00 -1.26 -4.68 105.19 102.42 1gqb n GLY 47 Ca -0.18 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 2.54 -0.13 1.61 -1.05 -1.26 -4.42 118.70 113.98 1gqb s GLU 48 Ca 0.00 1.23 -0.04 0.00 -0.15 0.00 0.00 54.97 56.01 1gqb s GLU 48 Cb 0.00 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 1gqb s GLU 48 CO 0.00 -1.43 0.00 1.21 0.95 0.00 0.00 175.26 175.99 1gqb s ASN 49 N -3.12 5.18 0.35 0.83 3.84 -0.54 -4.27 114.94 117.21 1gqb s ASN 49 Ca 0.63 0.04 0.25 0.00 0.21 0.00 0.00 52.86 53.99 1gqb s ASN 49 Cb -0.18 -1.70 1.24 0.00 -0.55 0.00 0.00 41.25 40.06 1gqb s ASN 49 CO 0.50 0.26 1.77 1.05 -2.79 0.00 0.00 177.10 177.89 1gqb h GLU 50 N 6.04 0.00 -0.02 0.43 4.11 -1.19 -1.41 114.58 122.54 1gqb h GLU 50 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1gqb h GLU 50 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1gqb h GLU 50 CO 0.61 0.00 -0.02 0.09 0.07 0.00 0.00 179.01 179.76 1gqb n ASN 51 N -2.39 1.94 -4.67 3.06 3.02 -1.26 -4.92 115.26 110.04 1gqb n ASN 51 Ca -0.00 -1.62 -0.24 0.00 -0.03 0.00 0.00 54.58 52.68 1gqb n ASN 51 Cb 0.13 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.03 -0.86 -1.67 0.00 -0.02 -1.26 -4.84 135.00 125.31 1gqb n PRO 53 Ca -0.04 -0.19 -0.45 0.00 -2.02 0.00 0.00 63.50 60.80 1gqb n PRO 53 Cb 0.63 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1gqb n PRO 53 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gqb n PRO 54 N -4.36 1.99 -0.08 0.52 -0.02 -1.26 -1.76 135.00 130.04 1gqb n PRO 54 Ca 0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1gqb n PRO 54 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1gqb n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqb n GLY 55 N 2.18 2.47 3.71 -1.23 0.00 -1.26 -5.01 105.19 106.06 1gqb n GLY 55 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.95 5.11 -0.18 1.61 1.01 -0.72 -0.77 120.40 123.51 1gqb s VAL 56 Ca 0.00 1.18 0.22 0.00 0.00 0.00 0.00 61.98 63.39 1gqb s VAL 56 Cb 0.00 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1gqb s VAL 56 CO 0.00 0.27 0.86 0.61 0.00 0.00 0.00 175.10 176.84 1gqb n GLY 57 N 3.25 -1.31 3.22 4.51 0.00 -0.15 -1.46 105.19 113.25 1gqb n GLY 57 Ca -0.04 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.41 -0.82 0.02 4.61 0.00 -1.20 -0.66 121.76 120.31 1gqb s ALA 58 Ca -0.03 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1gqb s ALA 58 Cb 0.11 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1gqb s ALA 58 CO 0.83 -0.17 0.50 0.00 0.00 0.00 0.00 175.76 176.93 1gqb s PHE 60 N -2.07 2.81 0.14 0.00 0.08 -0.58 -0.64 117.98 117.71 1gqb s PHE 60 Ca -0.07 1.17 -0.14 0.00 0.12 0.00 0.00 56.93 58.01 1gqb s PHE 60 Cb -0.01 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1gqb s PHE 60 CO 0.01 -2.68 1.63 0.78 -0.10 0.00 0.00 175.22 174.86 1gqb h GLY 61 N 3.65 0.79 2.00 4.36 0.00 -0.93 0.18 103.07 113.12 1gqb h GLY 61 Ca -0.49 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.25 1gqb h GLY 61 CO 0.68 0.48 -0.34 -1.61 0.00 0.00 0.00 176.54 175.76 1gqb h GLN 62 N 0.60 0.00 0.00 4.80 5.75 -1.93 -3.37 115.11 120.96 1gqb h GLN 62 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1gqb h GLN 62 Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1gqb h GLN 62 CO 0.01 0.34 -0.90 0.25 -2.65 0.00 0.00 178.83 175.87 1gqb n THR 63 N -3.29 0.00 -1.26 2.39 -2.24 -1.23 -5.02 114.28 103.62 1gqb n THR 63 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1gqb n THR 63 Cb 0.58 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.48 -1.45 -2.03 -0.78 5.12 0.64 -4.98 116.66 111.70 1gqb n ARG 64 Ca 0.00 0.78 -0.41 0.00 -1.93 0.00 0.00 57.85 56.29 1gqb n ARG 64 Cb 0.11 -5.04 -0.02 0.00 -1.16 0.00 0.00 32.46 26.35 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 -1.93 2.73 0.29 0.55 1.01 -1.26 -4.27 121.20 118.33 1gqb s ILE 65 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1gqb s ILE 65 Cb 0.00 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 1gqb s ILE 65 CO 0.00 0.09 1.12 -0.55 0.00 0.00 0.00 174.94 175.60 1gqb s SER 66 N 0.43 7.20 -0.17 3.58 0.15 -1.26 -1.53 113.70 122.10 1gqb s SER 66 Ca 0.60 2.30 0.15 0.00 0.70 0.00 0.00 55.95 59.70 1gqb s SER 66 Cb -0.41 -2.63 0.36 0.00 -1.71 0.00 0.00 66.02 61.63 1gqb s SER 66 CO 0.42 -0.19 1.18 1.33 1.20 0.00 0.00 173.24 177.18 1gqb n VAL 67 N 1.11 2.00 0.00 4.45 0.24 0.06 -1.92 118.33 124.26 1gqb n VAL 67 Ca -0.01 -2.73 0.00 0.00 -2.04 0.00 0.00 64.34 59.56 1gqb n VAL 67 Cb 0.45 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.22 4.08 3.76 7.63 0.00 -1.23 -2.30 105.19 115.91 1gqb n GLY 68 Ca 0.17 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.48 4.74 0.62 1.61 1.02 0.01 -0.98 119.74 124.28 1gqb s LYS 69 Ca 0.00 1.63 -0.15 0.00 0.02 0.00 0.00 55.97 57.46 1gqb s LYS 69 Cb 0.00 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1gqb s LYS 69 CO 0.00 0.36 1.08 0.00 -0.92 0.00 0.00 175.35 175.87 1gqb s ALA 70 N -1.19 2.65 0.35 5.17 0.00 0.05 -3.81 121.76 124.97 1gqb s ALA 70 Ca 0.43 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1gqb s ALA 70 Cb -0.28 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1gqb s ALA 70 CO 0.36 -0.97 0.72 0.54 0.00 0.00 0.00 175.76 176.40 1gqb s ASN 71 N -2.72 0.08 -0.10 0.00 2.20 -1.26 -4.92 114.94 108.22 1gqb s ASN 71 Ca 0.65 -1.09 0.15 0.00 -0.94 0.00 0.00 52.86 51.63 1gqb s ASN 71 Cb -0.18 0.79 0.22 0.00 -2.00 0.00 0.00 41.25 40.09 1gqb s ASN 71 CO 0.39 -1.55 1.11 0.29 -2.94 0.00 0.00 177.10 174.40 1gqb n LYS 72 N -0.51 1.22 -2.49 3.55 5.02 -1.26 -3.86 118.16 119.82 1gqb n LYS 72 Ca -0.06 -2.24 -0.40 0.00 -2.02 0.00 0.00 58.31 53.59 1gqb n LYS 72 Cb 0.60 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.29 1gqb n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1gqb s ARG 73 N -2.28 3.70 -0.03 1.97 0.52 -1.26 -0.92 118.95 120.65 1gqb s ARG 73 Ca 0.24 -1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 53.42 1gqb s ARG 73 Cb 0.21 -5.47 -0.03 0.00 0.52 0.00 0.00 34.95 30.19 1gqb s ARG 73 CO 0.02 -2.52 0.97 -1.17 0.02 0.00 0.00 175.30 172.62 1gqb s LEU 74 N 5.40 4.34 0.30 2.53 2.96 -1.26 -4.58 118.68 128.37 1gqb s LEU 74 Ca 0.55 1.60 0.11 0.00 -0.22 0.00 0.00 54.13 56.18 1gqb s LEU 74 Cb 0.03 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1gqb s LEU 74 CO 0.06 -0.29 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.51 1gqb s ARG 75 N 1.21 1.75 -0.08 1.98 0.52 -0.24 -4.66 118.95 119.43 1gqb s ARG 75 Ca 0.50 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.94 1gqb s ARG 75 Cb -0.20 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.51 1gqb s ARG 75 CO 0.25 0.27 -0.18 -0.47 0.02 0.00 0.00 175.30 175.19 1gqb s TYR 76 N -2.53 2.00 -0.28 -0.53 5.04 -1.26 -0.74 117.35 119.04 1gqb s TYR 76 Ca 0.31 -0.77 -0.13 0.00 -2.44 0.00 0.00 57.07 54.05 1gqb s TYR 76 Cb -0.03 -1.38 0.10 0.00 0.35 0.00 0.00 41.96 41.01 1gqb s TYR 76 CO 0.16 -0.33 0.64 0.54 -1.34 0.00 0.00 175.55 175.22 1gqb s VAL 77 N 0.45 -0.45 -1.35 3.14 0.11 0.24 -4.97 120.40 117.56 1gqb s VAL 77 Ca -0.15 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1gqb s VAL 77 Cb -0.16 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1gqb s VAL 77 CO 0.06 0.01 0.55 0.47 -3.33 0.00 0.00 175.10 172.86 1gqb n ASP 78 N 4.84 -0.87 0.00 3.54 8.00 -1.26 -1.07 116.55 129.73 1gqb n ASP 78 Ca -0.16 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1gqb n ASP 78 Cb 0.54 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 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 -4.33 -0.60 -4.54 -1.24 3.00 -1.26 -4.99 117.38 103.42 1gqb n GLN 79 Ca -0.30 0.15 -0.34 0.00 -0.01 0.00 0.00 57.00 56.50 1gqb n GLN 79 Cb 0.68 -3.66 -0.11 0.00 0.00 0.00 0.00 30.24 27.14 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 -1.89 3.84 -0.11 5.09 1.01 -0.24 -4.52 120.40 123.59 1gqb s VAL 80 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1gqb s VAL 80 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1gqb s VAL 80 CO 0.00 0.58 0.09 -0.76 0.00 0.00 0.00 175.10 175.01 1gqb s LEU 81 N -0.56 4.10 -0.10 3.92 1.43 -0.57 -0.60 118.68 126.30 1gqb s LEU 81 Ca 0.09 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1gqb s LEU 81 Cb -0.12 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1gqb s LEU 81 CO 0.02 0.39 0.27 -1.58 0.23 0.00 0.00 176.35 175.68 1gqb s GLN 82 N -0.93 0.31 0.02 1.70 0.74 0.08 -0.30 119.66 121.28 1gqb s GLN 82 Ca 0.14 0.38 0.06 0.00 0.05 0.00 0.00 55.36 55.99 1gqb s GLN 82 Cb -0.12 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1gqb s GLN 82 CO 0.03 -0.04 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.04 1gqb s LEU 83 N 0.17 2.59 -0.17 3.68 1.43 -0.34 -1.08 118.68 124.97 1gqb s LEU 83 Ca -0.00 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1gqb s LEU 83 Cb -0.02 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.73 1gqb s LEU 83 CO 0.00 0.28 -0.04 -0.69 0.23 0.00 0.00 176.35 176.13 1gqb s VAL 84 N -0.86 1.02 -0.56 -1.59 1.01 -1.26 -0.60 120.40 117.55 1gqb s VAL 84 Ca 0.14 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1gqb s VAL 84 Cb -0.10 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.15 1gqb s VAL 84 CO 0.04 0.09 0.61 -0.31 0.00 0.00 0.00 175.10 175.53 1gqb s TYR 85 N 1.67 3.10 0.74 5.22 2.02 0.51 -4.84 117.35 125.76 1gqb s TYR 85 Ca 0.01 -1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 55.62 1gqb s TYR 85 Cb -0.15 -3.85 0.10 0.00 -0.40 0.00 0.00 41.96 37.66 1gqb s TYR 85 CO -0.07 -1.15 1.04 0.15 -1.57 0.00 0.00 175.55 173.94 1gqb s LYS 86 N 2.27 1.84 -1.23 -0.62 1.02 -1.25 -1.51 119.74 120.26 1gqb s LYS 86 Ca 0.09 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 1gqb s LYS 86 Cb -0.26 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1gqb s LYS 86 CO 0.06 -1.44 0.90 -3.47 -0.92 0.00 0.00 175.35 170.48 1gqb n ASP 87 N -2.98 -1.89 -2.39 2.83 4.64 -1.26 -0.81 116.55 114.69 1gqb n ASP 87 Ca 0.11 -0.69 0.00 0.00 -1.38 0.00 0.00 54.79 52.83 1gqb n ASP 87 Cb 0.60 -4.76 0.00 0.00 -1.04 0.00 0.00 41.12 35.92 1gqb n ASP 87 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1gqb n GLY 88 N -1.28 -1.05 3.82 0.27 0.00 -0.45 -4.21 105.19 102.28 1gqb n GLY 88 Ca -0.29 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.02 5.33 0.31 1.61 1.04 -0.81 -4.47 113.70 115.69 1gqb s SER 89 Ca 0.00 1.64 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 1gqb s SER 89 Cb 0.00 -2.50 -0.13 0.00 0.10 0.00 0.00 66.02 63.50 1gqb s SER 89 CO 0.00 -1.48 1.34 -2.65 0.98 0.00 0.00 173.24 171.44 1gqb n PRO 90 N -3.11 2.15 -2.82 4.02 -0.02 -1.26 -0.79 135.00 133.17 1gqb n PRO 90 Ca 0.08 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1gqb n PRO 90 Cb 0.53 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1gqb n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqb h PRO 92 N 8.37 0.00 0.00 0.00 0.11 -1.90 -2.79 132.00 135.79 1gqb h PRO 92 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1gqb h PRO 92 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1gqb h PRO 92 CO 0.97 0.05 -0.62 -1.13 -0.21 0.00 0.00 178.00 177.06 1gqb n SER 93 N -3.46 0.60 -3.55 -2.05 3.41 -1.26 -4.76 113.62 102.54 1gqb n SER 93 Ca -0.02 -0.35 -0.26 0.00 -0.26 0.00 0.00 58.87 57.97 1gqb n SER 93 Cb 0.18 0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 1gqb n SER 93 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1gqb s LYS 94 N -3.02 0.15 0.18 4.33 -0.14 -1.05 -5.12 119.74 115.06 1gqb s LYS 94 Ca 0.10 -0.29 -0.33 0.00 -1.36 0.00 0.00 55.97 54.09 1gqb s LYS 94 Cb 0.17 -1.38 -0.15 0.00 -1.68 0.00 0.00 37.83 34.79 1gqb s LYS 94 CO 0.74 -0.87 1.40 0.43 -0.76 0.00 0.00 175.35 176.29 1gqb n SER 95 N 5.27 2.40 0.00 2.83 7.64 -1.26 -1.70 113.62 128.80 1gqb n SER 95 Ca -0.06 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1gqb n SER 95 Cb 0.45 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1gqb n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqb n GLY 96 N 2.55 2.30 3.88 0.23 0.00 -1.26 -5.02 105.19 107.87 1gqb n GLY 96 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 3.81 0.14 0.99 1.43 -0.69 -5.03 118.68 119.34 1gqb s LEU 97 Ca 0.00 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 1gqb s LEU 97 Cb 0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1gqb s LEU 97 CO 0.00 -0.23 -0.20 -0.44 0.23 0.00 0.00 176.35 175.71 1gqb s SER 98 N -3.98 2.66 0.52 2.29 0.01 -1.26 -0.50 113.70 113.45 1gqb s SER 98 Ca 0.38 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.64 1gqb s SER 98 Cb -0.07 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1gqb s SER 98 CO 0.27 0.02 1.30 -0.31 0.41 0.00 0.00 173.24 174.93 1gqb s TYR 99 N -1.61 2.47 0.07 2.43 2.02 0.03 -4.72 117.35 118.04 1gqb s TYR 99 Ca 0.12 1.42 -0.09 0.00 -0.37 0.00 0.00 57.07 58.15 1gqb s TYR 99 Cb -0.08 -3.67 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 1gqb s TYR 99 CO 0.06 -2.46 0.20 -1.59 -1.57 0.00 0.00 175.55 170.18 1gqb s LYS 100 N -2.84 0.79 -0.06 -0.62 -2.85 -0.91 -1.34 119.74 111.92 1gqb s LYS 100 Ca 0.69 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.87 1gqb s LYS 100 Cb -0.37 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.73 1gqb s LYS 100 CO 0.44 -0.24 -0.17 -1.12 0.10 0.00 0.00 175.35 174.35 1gqb s SER 101 N -2.56 2.26 -0.18 0.03 0.01 -0.57 -0.50 113.70 112.19 1gqb s SER 101 Ca 0.01 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1gqb s SER 101 Cb 0.03 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1gqb s SER 101 CO -0.08 0.12 -0.14 -0.69 0.41 0.00 0.00 173.24 172.86 1gqb s VAL 102 N 0.30 2.70 -0.25 3.43 1.01 0.37 -0.36 120.40 127.59 1gqb s VAL 102 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1gqb s VAL 102 Cb -0.14 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.13 1gqb s VAL 102 CO 0.04 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 1gqb s ILE 103 N 1.12 2.15 -0.14 2.22 1.01 0.23 -0.43 121.20 127.35 1gqb s ILE 103 Ca 0.01 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 1gqb s ILE 103 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1gqb s ILE 103 CO -0.04 0.03 -0.10 -0.44 0.00 0.00 0.00 174.94 174.39 1gqb s SER 104 N 1.13 4.27 -0.19 3.58 0.01 -0.76 -1.20 113.70 120.54 1gqb s SER 104 Ca -0.07 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 1gqb s SER 104 Cb -0.19 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 1gqb s SER 104 CO -0.06 0.15 0.02 -0.36 0.41 0.00 0.00 173.24 173.40 1gqb s PHE 105 N 0.44 3.11 0.14 2.43 0.40 0.59 -0.99 117.98 124.10 1gqb s PHE 105 Ca -0.08 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1gqb s PHE 105 Cb -0.15 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1gqb s PHE 105 CO 0.04 -0.08 -0.19 0.14 0.70 0.00 0.00 175.22 175.83 1gqb s VAL 106 N 0.73 1.76 0.36 -0.44 -7.23 -0.77 -1.52 120.40 113.30 1gqb s VAL 106 Ca 0.01 -1.76 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 1gqb s VAL 106 Cb -0.14 -1.72 -0.12 0.00 0.56 0.00 0.00 36.38 34.97 1gqb s VAL 106 CO 0.02 -0.21 1.42 0.00 -0.31 0.00 0.00 175.10 176.02 1gqb s ARG 108 N -1.98 2.02 0.44 0.00 3.52 -1.11 -4.62 118.95 117.22 1gqb s ARG 108 Ca 0.54 -1.64 0.24 0.00 -0.13 0.00 0.00 55.73 54.75 1gqb s ARG 108 Cb -0.51 -3.32 0.92 0.00 -1.56 0.00 0.00 34.95 30.48 1gqb s ARG 108 CO 0.63 -0.87 1.83 -1.35 -0.81 0.00 0.00 175.30 174.73 1gqb h PRO 109 N 7.91 0.00 0.00 5.12 0.11 -1.93 -3.36 132.00 139.84 1gqb h PRO 109 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1gqb h PRO 109 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1gqb h PRO 109 CO 0.59 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 1gqb n GLU 110 N -3.37 0.00 0.00 1.05 4.71 -1.26 -5.08 120.64 116.68 1gqb n GLU 110 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1gqb n GLU 110 Cb 0.43 -0.50 0.00 0.00 -1.01 0.00 0.00 31.44 30.35 1gqb n GLU 110 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1gqb n ASN 115 N -1.23 0.00 -4.88 1.62 5.03 -1.26 -5.09 115.26 109.45 1gqb n ASN 115 Ca 0.00 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.08 1gqb n ASN 115 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1gqb n ASN 115 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1gqb s ARG 116 N -0.52 3.51 0.52 3.52 3.52 -1.26 -5.00 118.95 123.25 1gqb s ARG 116 Ca 0.00 -0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 55.31 1gqb s ARG 116 Cb 0.00 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1gqb s ARG 116 CO 0.00 0.75 1.18 -0.35 -0.81 0.00 0.00 175.30 176.07 1gqb n PRO 117 N 1.80 1.45 -5.03 5.12 -0.04 -1.26 -4.83 135.00 132.21 1gqb n PRO 117 Ca -0.18 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.49 1gqb n PRO 117 Cb 0.54 -2.35 -0.14 0.00 -0.04 0.00 0.00 33.50 31.51 1gqb n PRO 117 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1gqb s MET 118 N -2.61 2.49 -0.56 0.54 -1.94 0.31 -4.52 119.30 113.01 1gqb s MET 118 Ca 0.70 -0.78 -0.23 0.00 -1.71 0.00 0.00 55.69 53.67 1gqb s MET 118 Cb -0.45 -2.29 0.05 0.00 2.01 0.00 0.00 34.83 34.14 1gqb s MET 118 CO 0.51 0.54 0.89 -1.17 -0.01 0.00 0.00 175.02 175.78 1gqb s LEU 119 N -0.54 4.28 0.02 -0.03 2.96 -1.26 -0.58 118.68 123.53 1gqb s LEU 119 Ca 0.07 -0.52 0.16 0.00 -0.22 0.00 0.00 54.13 53.62 1gqb s LEU 119 Cb -0.11 -2.71 -0.17 0.00 0.50 0.00 0.00 46.19 43.69 1gqb s LEU 119 CO 0.01 -1.20 0.73 2.30 -1.32 0.00 0.00 176.35 176.87 1gqb n ILE 120 N 6.06 1.29 -3.71 6.68 -5.35 -0.19 -4.92 119.36 119.22 1gqb n ILE 120 Ca -0.00 -0.72 -0.12 0.00 -0.27 0.00 0.00 62.75 61.63 1gqb n ILE 120 Cb 0.47 -0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 37.48 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 -5.82 -0.50 -0.44 7.28 0.15 -1.11 -5.04 113.70 108.23 1gqb s SER 121 Ca -0.04 0.91 -0.10 0.00 0.70 0.00 0.00 55.95 57.43 1gqb s SER 121 Cb 0.08 0.88 0.09 0.00 -1.71 0.00 0.00 66.02 65.37 1gqb s SER 121 CO 0.82 -0.17 0.30 -0.22 1.20 0.00 0.00 173.24 175.17 1gqb s LEU 122 N 0.63 5.36 -0.29 3.45 0.20 -1.26 -0.20 118.68 126.57 1gqb s LEU 122 Ca -0.03 -1.60 -0.29 0.00 0.69 0.00 0.00 54.13 52.90 1gqb s LEU 122 Cb -0.05 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.69 1gqb s LEU 122 CO -0.04 -0.60 1.45 -0.62 -0.29 0.00 0.00 176.35 176.26 1gqb s ASP 123 N 2.34 6.48 0.35 3.68 2.15 0.32 -4.90 116.67 127.09 1gqb s ASP 123 Ca 0.04 1.31 0.15 0.00 0.43 0.00 0.00 52.55 54.47 1gqb s ASP 123 Cb -0.24 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.50 1gqb s ASP 123 CO 0.02 -1.23 1.75 0.11 -0.17 0.00 0.00 175.17 175.65 1gqb h LYS 124 N 10.19 0.00 0.00 4.34 1.79 -1.97 0.17 116.57 131.09 1gqb h LYS 124 Ca -0.29 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.10 1gqb h LYS 124 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1gqb h LYS 124 CO 1.03 0.43 -0.36 1.96 -1.08 0.00 0.00 179.45 181.42 1gqb h GLN 125 N 0.00 0.00 0.00 3.15 4.20 -1.98 -3.35 115.11 117.14 1gqb h GLN 125 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1gqb h GLN 125 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1gqb h GLN 125 CO 0.06 0.36 0.00 0.25 -0.67 0.00 0.00 178.83 178.83 1gqb n THR 126 N -3.43 0.00 -3.36 -0.54 -2.24 -1.09 -5.01 114.28 98.61 1gqb n THR 126 Ca 0.00 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1gqb n THR 126 Cb 0.54 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 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 -3.15 5.30 -0.33 0.00 2.01 -1.17 -2.13 115.64 116.16 1gqb s THR 128 Ca 0.44 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.62 1gqb s THR 128 Cb -0.21 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1gqb s THR 128 CO 0.54 0.31 0.68 -0.76 -0.69 0.00 0.00 174.62 174.70 1gqb s LEU 129 N 1.14 4.17 -0.22 4.42 1.02 0.34 -0.52 118.68 129.03 1gqb s LEU 129 Ca 0.12 0.35 -0.09 0.00 0.02 0.00 0.00 54.13 54.53 1gqb s LEU 129 Cb -0.14 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 1gqb s LEU 129 CO 0.06 -0.58 0.11 -0.36 0.02 0.00 0.00 176.35 175.60 1gqb s PHE 130 N 2.77 3.26 0.13 0.29 0.08 0.72 -0.48 117.98 124.76 1gqb s PHE 130 Ca 0.27 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.50 1gqb s PHE 130 Cb -0.14 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1gqb s PHE 130 CO 0.14 0.03 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.01 1gqb s PHE 131 N 0.91 2.41 0.08 0.36 0.08 0.43 -1.02 117.98 121.23 1gqb s PHE 131 Ca 0.06 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.85 1gqb s PHE 131 Cb -0.13 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1gqb s PHE 131 CO 0.03 0.38 -0.17 -1.54 -0.10 0.00 0.00 175.22 173.82 1gqb s SER 132 N -2.19 2.10 -0.15 1.36 1.04 0.25 -1.82 113.70 114.29 1gqb s SER 132 Ca 0.17 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1gqb s SER 132 Cb -0.10 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.98 1gqb s SER 132 CO 0.08 0.01 0.16 0.86 0.98 0.00 0.00 173.24 175.33 1gqb s TRP 133 N -1.14 -0.09 -0.41 5.02 -0.11 -0.16 -0.53 118.94 121.52 1gqb s TRP 133 Ca 0.03 0.17 -0.22 0.00 1.22 0.00 0.00 56.10 57.30 1gqb s TRP 133 Cb -0.10 -0.44 0.02 0.00 -1.50 0.00 0.00 33.47 31.45 1gqb s TRP 133 CO 0.03 -0.46 0.73 -1.01 -4.62 0.00 0.00 176.95 171.62 1gqb s HIS 134 N 2.25 3.07 -0.01 5.86 3.76 -1.26 -1.85 115.29 127.10 1gqb s HIS 134 Ca 0.04 0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1gqb s HIS 134 Cb -0.15 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.12 1gqb s HIS 134 CO -0.09 -0.82 0.04 -0.08 -0.85 0.00 0.00 174.74 172.94 1gqb s THR 135 N 3.03 0.01 0.67 1.30 -1.32 -0.65 -4.72 115.64 113.95 1gqb s THR 135 Ca 0.28 -0.05 0.37 0.00 -1.21 0.00 0.00 61.69 61.07 1gqb s THR 135 Cb -0.13 -0.09 0.37 0.00 -1.51 0.00 0.00 72.50 71.14 1gqb s THR 135 CO 0.19 -0.03 2.13 -0.65 -2.21 0.00 0.00 174.62 174.05 1gqb h PRO 136 N 5.98 0.00 0.00 7.08 0.11 -1.86 -0.92 132.00 142.39 1gqb h PRO 136 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gqb h PRO 136 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gqb h PRO 136 CO 0.48 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.55 1gqb n LEU 137 N -2.99 0.38 -1.18 2.35 4.77 -1.26 -1.76 117.00 117.31 1gqb n LEU 137 Ca -0.02 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 1gqb n LEU 137 Cb 0.24 -0.56 0.29 0.00 -2.33 0.00 0.00 43.42 41.06 1gqb n LEU 137 CO 0.17 -0.47 0.75 0.00 -1.33 0.00 0.00 177.39 176.50 1gqb n ALA 138 N -1.66 3.08 -2.89 -1.18 0.00 -0.37 -4.63 120.51 112.86 1gqb n ALA 138 Ca 0.02 -1.95 -0.35 0.00 0.00 0.00 0.00 53.44 51.17 1gqb n ALA 138 Cb 0.18 -0.81 -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