#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb s SER 2 N 0.00 6.97 0.41 7.83 1.04 -1.26 -4.30 113.70 124.39 2gqb s SER 2 Ca 0.00 -2.77 0.10 0.00 0.48 0.00 0.00 55.95 53.76 2gqb s SER 2 Cb 0.00 -2.41 0.86 0.00 0.10 0.00 0.00 66.02 64.57 2gqb s SER 2 CO 0.00 -0.84 1.96 0.40 0.98 0.00 0.00 173.24 175.74 2gqb h ILE 3 N 4.95 1.15 0.00 -1.02 2.04 -1.93 0.80 117.51 123.50 2gqb h ILE 3 Ca 0.30 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2gqb h ILE 3 Cb 0.90 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2gqb h ILE 3 CO 1.24 0.20 -0.08 2.19 0.00 0.00 0.00 178.15 181.70 2gqb h PHE 4 N 0.22 0.00 0.00 1.37 -5.15 -1.95 -0.00 116.94 111.43 2gqb h PHE 4 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 2gqb h PHE 4 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.45 2gqb h PHE 4 CO 0.00 0.08 -0.72 0.78 -2.00 0.00 0.00 178.31 176.45 2gqb h GLY 5 N 0.38 0.00 1.47 6.09 0.00 -1.23 -3.06 103.07 106.73 2gqb h GLY 5 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2gqb h GLY 5 CO 0.01 0.00 -1.30 0.50 0.00 0.00 0.00 176.54 175.75 2gqb h LYS 6 N 0.00 0.00 0.02 4.80 1.57 -0.22 -3.34 116.57 119.40 2gqb h LYS 6 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2gqb h LYS 6 Cb 0.83 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2gqb h LYS 6 CO 0.00 0.68 -1.22 -0.84 -0.57 0.00 0.00 179.45 177.50 2gqb h ILE 7 N 0.00 1.46 0.00 1.86 3.07 -1.16 -3.30 117.51 119.44 2gqb h ILE 7 Ca -0.14 -3.19 0.00 0.00 1.55 0.00 0.00 64.86 63.08 2gqb h ILE 7 Cb 1.83 2.75 0.00 0.00 -0.27 0.00 0.00 36.82 41.13 2gqb h ILE 7 CO 0.10 0.85 0.00 1.15 -1.05 0.00 0.00 178.15 179.20 2gqb n MET 8 N -3.30 0.19 0.13 0.16 0.00 -1.15 -1.99 117.12 111.15 2gqb n MET 8 Ca -0.06 0.48 0.02 0.00 0.00 0.00 0.00 57.70 58.15 2gqb n MET 8 Cb 0.98 -1.91 0.37 0.00 0.00 0.00 0.00 33.22 32.67 2gqb n MET 8 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2gqb h SER 9 N 0.00 0.20 0.47 3.17 0.02 -1.69 0.23 113.55 115.95 2gqb h SER 9 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2gqb h SER 9 Cb 0.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2gqb h SER 9 CO 0.00 0.40 -0.89 0.00 -1.14 0.00 0.00 176.83 175.20 2gqb n ALA 10 N -2.49 3.44 -0.09 3.77 0.00 -0.84 -2.99 120.51 121.32 2gqb n ALA 10 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 2gqb n ALA 10 Cb 0.30 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 2gqb n ALA 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2gqb n ILE 11 N -1.89 1.47 0.61 0.00 5.41 -0.90 -4.33 119.36 119.74 2gqb n ILE 11 Ca 0.03 0.07 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2gqb n ILE 11 Cb 0.42 -2.23 0.17 0.00 -0.71 0.00 0.00 39.64 37.28 2gqb n ILE 11 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2gqb n PHE 12 N -4.50 0.65 0.64 1.39 3.72 0.77 -3.60 117.46 116.52 2gqb n PHE 12 Ca -0.20 -0.28 0.11 0.00 -0.05 0.00 0.00 57.45 57.03 2gqb n PHE 12 Cb 0.49 -0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gqb n GLY 13 N 0.83 -1.20 3.82 1.37 0.00 -1.16 -4.93 105.19 103.92 2gqb n GLY 13 Ca 0.12 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2gqb n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gqb s ASP 14 N -3.78 6.39 0.00 1.61 2.15 -1.24 -4.91 116.67 116.89 2gqb s ASP 14 Ca 0.05 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.75 2gqb s ASP 14 Cb 0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2gqb s ASP 14 CO 0.80 -0.75 0.00 -1.20 -0.17 0.00 0.00 175.17 173.85 2gqb n SER 15 N -1.45 0.00 -0.70 -0.34 7.64 -1.26 -4.96 113.62 112.55 2gqb n SER 15 Ca 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.95 2gqb n SER 15 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gqb n ALA 16 N -1.23 2.29 -0.11 -0.43 0.00 -1.26 -4.79 120.51 114.98 2gqb n ALA 16 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 53.44 52.47 2gqb n ALA 16 Cb 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 17 N 0.06 1.48 -0.04 0.00 0.00 -1.26 -4.88 120.51 115.87 2gqb n ALA 17 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 53.44 52.47 2gqb n ALA 17 Cb 0.68 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 20.30 2gqb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 18 N -4.07 0.42 -2.56 0.00 0.00 -1.26 -4.91 120.51 108.13 2gqb n ALA 18 Ca -0.42 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 2gqb n ALA 18 Cb 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 2gqb n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gqb n SER 19 N -3.38 -2.00 -4.43 0.00 7.64 -1.26 -4.07 113.62 106.12 2gqb n SER 19 Ca -0.06 1.30 -0.47 0.00 1.01 0.00 0.00 58.87 60.65 2gqb n SER 19 Cb 0.23 -5.07 -0.13 0.00 -1.01 0.00 0.00 64.21 58.23 2gqb n SER 19 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2gqb n PRO 20 N 1.41 0.10 0.00 1.43 -0.02 -1.26 -0.27 135.00 136.39 2gqb n PRO 20 Ca -0.32 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2gqb n PRO 20 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2gqb n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gqb n GLY 21 N 6.76 3.63 0.00 -1.23 0.00 -1.26 -5.03 105.19 108.06 2gqb n GLY 21 Ca 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2gqb n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqb n GLY 22 N 0.00 3.93 3.07 -0.02 0.00 0.63 -5.12 105.19 107.68 2gqb n GLY 22 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 2gqb n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 23 N -0.57 1.55 0.36 4.61 0.00 -1.26 -4.99 121.76 121.46 2gqb s ALA 23 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2gqb s ALA 23 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2gqb s ALA 23 CO 0.00 0.10 0.53 -0.65 0.00 0.00 0.00 175.76 175.74 2gqb s GLN 24 N 0.69 3.20 0.12 0.00 1.11 -1.26 -5.07 119.66 118.45 2gqb s GLN 24 Ca -0.13 -0.70 0.11 0.00 0.01 0.00 0.00 55.36 54.64 2gqb s GLN 24 Cb -0.16 -2.72 -0.04 0.00 -1.01 0.00 0.00 33.01 29.08 2gqb s GLN 24 CO 0.03 0.02 -0.26 0.00 0.01 0.00 0.00 175.29 175.09 2gqb s ALA 25 N -2.29 2.42 -0.53 6.09 0.00 -1.26 -5.07 121.76 121.12 2gqb s ALA 25 Ca 0.44 -1.44 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 2gqb s ALA 25 Cb -0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2gqb s ALA 25 CO 0.34 0.55 2.15 -1.25 0.00 0.00 0.00 175.76 177.55 2gqb s PRO 26 N -2.04 2.39 0.49 0.00 0.04 -1.26 -4.96 135.00 129.65 2gqb s PRO 26 Ca 0.15 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.35 2gqb s PRO 26 Cb -0.10 -4.48 0.08 0.00 0.04 0.00 0.00 34.50 30.03 2gqb s PRO 26 CO 0.07 -2.98 0.66 0.00 0.04 0.00 0.00 177.00 174.79 2gqb n ALA 27 N 14.30 1.03 -4.32 8.56 0.00 -1.26 -4.64 120.51 134.17 2gqb n ALA 27 Ca 0.29 -1.77 -0.35 0.00 0.00 0.00 0.00 53.44 51.61 2gqb n ALA 27 Cb 0.53 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.40 2gqb n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gqb n THR 28 N -2.05 -1.00 0.94 0.00 5.66 -1.26 -4.81 114.28 111.76 2gqb n THR 28 Ca 0.13 -0.28 0.11 0.00 -3.05 0.00 0.00 64.05 60.96 2gqb n THR 28 Cb 0.51 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 2gqb n THR 28 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2gqb n THR 29 N -4.37 0.00 -3.70 1.09 -1.04 -1.26 -4.91 114.28 100.08 2gqb n THR 29 Ca -0.13 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 61.33 2gqb n THR 29 Cb 0.59 1.27 -0.02 0.00 -1.82 0.00 0.00 70.33 70.35 2gqb n THR 29 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2gqb s GLY 30 N -2.32 1.52 -0.70 3.41 0.00 -1.26 -4.26 107.32 103.70 2gqb s GLY 30 Ca 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2gqb s GLY 30 CO 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 173.10 172.68 2gqb n ALA 31 N -1.14 -0.10 -3.45 3.20 0.00 -1.26 -4.97 120.51 112.80 2gqb n ALA 31 Ca -0.06 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 2gqb n ALA 31 Cb 0.55 -1.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 2gqb n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 32 N -1.85 1.24 0.17 0.00 0.00 -1.26 -5.03 121.76 115.04 2gqb s ALA 32 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 2gqb s ALA 32 Cb 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2gqb s ALA 32 CO 0.00 0.12 1.46 0.78 0.00 0.00 0.00 175.76 178.12 2gqb h GLY 33 N 6.95 0.68 -6.99 0.00 0.00 -1.93 -3.38 103.07 98.39 2gqb h GLY 33 Ca -0.31 -0.82 -0.60 0.00 0.00 0.00 0.00 47.33 45.60 2gqb h GLY 33 CO 0.47 0.74 -0.76 -1.59 0.00 0.00 0.00 176.54 175.41 2gqb s THR 34 N -3.96 1.12 -0.10 4.70 2.01 -1.26 -5.11 115.64 113.05 2gqb s THR 34 Ca -0.08 -2.15 -0.18 0.00 0.31 0.00 0.00 61.69 59.59 2gqb s THR 34 Cb 0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2gqb s THR 34 CO 0.86 -0.85 0.49 0.00 -0.69 0.00 0.00 174.62 174.43 2gqb s ALA 35 N 0.78 3.49 -0.84 7.40 0.00 -1.26 -5.00 121.76 126.32 2gqb s ALA 35 Ca 0.16 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 2gqb s ALA 35 Cb -0.22 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 2gqb s ALA 35 CO -0.06 0.05 1.98 -2.14 0.00 0.00 0.00 175.76 175.59 2gqb s PRO 36 N 0.42 2.47 -0.69 0.00 0.02 -1.26 -4.92 135.00 131.05 2gqb s PRO 36 Ca 0.27 -0.05 -0.17 0.00 0.02 0.00 0.00 61.00 61.07 2gqb s PRO 36 Cb -0.16 -4.93 0.15 0.00 0.02 0.00 0.00 34.50 29.59 2gqb s PRO 36 CO 0.11 -3.37 0.71 -0.08 -0.33 0.00 0.00 177.00 174.05 2gqb s THR 37 N 10.37 5.16 -0.28 0.99 -1.32 -1.26 -5.04 115.64 124.27 2gqb s THR 37 Ca 0.72 -1.64 -0.28 0.00 -1.21 0.00 0.00 61.69 59.27 2gqb s THR 37 Cb -0.08 -4.47 0.01 0.00 -1.51 0.00 0.00 72.50 66.44 2gqb s THR 37 CO 0.04 -1.07 1.02 0.00 -2.21 0.00 0.00 174.62 172.40 2gqb s ALA 38 N 1.62 3.58 0.12 11.08 0.00 -1.26 -5.00 121.76 131.90 2gqb s ALA 38 Ca 0.13 -0.00 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 2gqb s ALA 38 Cb -0.19 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 2gqb s ALA 38 CO -0.01 -1.26 1.44 -2.14 0.00 0.00 0.00 175.76 173.79 2gqb s PRO 39 N 3.37 4.29 -0.42 0.00 0.02 -1.26 -5.00 135.00 136.00 2gqb s PRO 39 Ca 0.43 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.60 2gqb s PRO 39 Cb -0.14 -3.26 0.11 0.00 0.02 0.00 0.00 34.50 31.24 2gqb s PRO 39 CO 0.11 -0.49 0.17 -0.65 -0.33 0.00 0.00 177.00 175.81 2gqb s GLN 40 N 1.24 1.84 -0.06 5.54 -0.21 -1.26 -5.08 119.66 121.67 2gqb s GLN 40 Ca 0.66 -2.03 -0.30 0.00 0.02 0.00 0.00 55.36 53.71 2gqb s GLN 40 Cb -0.38 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.19 2gqb s GLN 40 CO 0.30 -1.03 1.08 -2.14 -2.12 0.00 0.00 175.29 171.38 2gqb s PRO 41 N 0.71 4.42 -0.21 2.91 0.02 -1.26 -5.03 135.00 136.56 2gqb s PRO 41 Ca 0.12 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 62.62 2gqb s PRO 41 Cb -0.21 -3.52 0.11 0.00 0.02 0.00 0.00 34.50 30.89 2gqb s PRO 41 CO -0.05 -0.32 0.33 0.99 -0.33 0.00 0.00 177.00 177.62 2gqb s THR 42 N 1.89 -0.52 0.52 0.99 2.01 -1.26 -5.15 115.64 114.11 2gqb s THR 42 Ca 0.52 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 2gqb s THR 42 Cb -0.22 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2gqb s THR 42 CO 0.21 -0.09 0.83 0.00 -0.69 0.00 0.00 174.62 174.89 2gqb s ALA 43 N 2.49 3.35 -0.39 7.40 0.00 -1.26 -5.07 121.76 128.28 2gqb s ALA 43 Ca 0.08 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2gqb s ALA 43 Cb -0.15 -2.64 0.16 0.00 0.00 0.00 0.00 23.12 20.49 2gqb s ALA 43 CO -0.14 -0.47 0.31 0.00 0.00 0.00 0.00 175.76 175.47 2gqb s ALA 44 N -2.83 0.98 -2.07 0.00 0.00 -1.26 -4.96 121.76 111.62 2gqb s ALA 44 Ca 0.49 -2.08 0.20 0.00 0.00 0.00 0.00 51.96 50.58 2gqb s ALA 44 Cb -0.10 -1.66 1.09 0.00 0.00 0.00 0.00 23.12 22.44 2gqb s ALA 44 CO 0.46 -2.04 1.72 -0.35 0.00 0.00 0.00 175.76 175.55 2gqb n PRO 45 N 3.36 1.18 -3.71 0.00 -0.04 -1.26 -4.75 135.00 129.77 2gqb n PRO 45 Ca 0.22 -0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2gqb n PRO 45 Cb 0.44 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 2gqb n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqb s SER 46 N -1.62 -0.45 -0.35 3.54 0.15 -1.26 -4.97 113.70 108.73 2gqb s SER 46 Ca 0.31 0.81 -0.07 0.00 0.70 0.00 0.00 55.95 57.69 2gqb s SER 46 Cb 0.15 0.83 0.05 0.00 -1.71 0.00 0.00 66.02 65.34 2gqb s SER 46 CO 0.24 -0.21 0.14 -0.63 1.20 0.00 0.00 173.24 173.97 2gqb s ILE 47 N -0.02 3.89 -0.42 6.45 -1.09 -0.34 -4.90 121.20 124.78 2gqb s ILE 47 Ca -0.02 -1.18 -0.29 0.00 -2.23 0.00 0.00 60.65 56.94 2gqb s ILE 47 Cb -0.03 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 2gqb s ILE 47 CO 0.02 -0.24 1.39 -0.62 -1.23 0.00 0.00 174.94 174.25 2gqb s ASP 48 N 1.52 6.36 0.30 3.58 2.15 -1.26 0.95 116.67 130.27 2gqb s ASP 48 Ca -0.00 0.81 0.25 0.00 0.43 0.00 0.00 52.55 54.03 2gqb s ASP 48 Cb -0.20 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.50 2gqb s ASP 48 CO 0.03 -1.41 1.71 0.58 -0.17 0.00 0.00 175.17 175.90 2gqb h VAL 49 N 6.44 0.00 0.32 1.11 2.07 -1.35 -3.35 116.25 121.49 2gqb h VAL 49 Ca -0.27 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2gqb h VAL 49 Cb 1.10 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2gqb h VAL 49 CO 1.09 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 178.43 2gqb h ALA 50 N 2.32 -0.56 0.00 1.67 0.00 -1.89 -0.75 119.26 120.05 2gqb h ALA 50 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gqb h ALA 50 Cb 0.84 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gqb h ALA 50 CO 0.00 -0.84 0.00 -0.35 0.00 0.00 0.00 179.25 178.06 2gqb n PRO 51 N -5.37 0.89 -0.05 0.00 -0.04 -1.25 -2.37 135.00 126.81 2gqb n PRO 51 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 2gqb n PRO 51 Cb 0.28 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 2gqb n PRO 51 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2gqb n ILE 52 N -0.38 1.33 0.02 0.52 5.41 -0.64 -4.53 119.36 121.09 2gqb n ILE 52 Ca 0.00 0.23 -0.19 0.00 1.00 0.00 0.00 62.75 63.79 2gqb n ILE 52 Cb 0.05 -2.07 -0.11 0.00 -0.71 0.00 0.00 39.64 36.79 2gqb n ILE 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2gqb h LEU 53 N -0.66 0.65 -2.07 1.39 4.07 -1.23 -0.78 115.31 116.68 2gqb h LEU 53 Ca 0.00 -0.77 -0.01 0.00 0.08 0.00 0.00 57.88 57.18 2gqb h LEU 53 Cb 0.66 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 2gqb h LEU 53 CO 0.00 1.33 -0.06 -0.78 -1.08 0.00 0.00 178.44 177.86 2gqb h ASP 54 N 0.03 0.00 0.06 -0.43 3.58 -1.66 0.98 116.42 118.98 2gqb h ASP 54 Ca -0.10 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.08 2gqb h ASP 54 Cb 1.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 2gqb h ASP 54 CO 0.15 0.06 -1.47 0.11 -2.88 0.00 0.00 179.24 175.20 2gqb h LYS 55 N 0.00 0.14 0.00 0.28 1.79 -1.72 -3.37 116.57 113.69 2gqb h LYS 55 Ca -0.00 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.20 2gqb h LYS 55 Cb 0.30 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2gqb h LYS 55 CO 0.01 1.11 -0.19 0.00 -1.08 0.00 0.00 179.45 179.30 2gqb h ALA 56 N -0.21 1.50 -0.91 3.86 0.00 -0.75 -1.94 119.26 120.81 2gqb h ALA 56 Ca -0.35 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2gqb h ALA 56 Cb 1.62 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2gqb h ALA 56 CO -0.05 0.24 0.59 0.28 0.00 0.00 0.00 179.25 180.31 2gqb h VAL 57 N 0.00 1.08 -0.10 0.00 2.07 -0.97 -0.34 116.25 117.99 2gqb h VAL 57 Ca -0.00 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2gqb h VAL 57 Cb 0.38 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2gqb h VAL 57 CO 0.02 0.19 -0.33 0.11 0.02 0.00 0.00 177.57 177.58 2gqb h LYS 58 N 1.05 0.20 0.00 1.57 1.57 -1.50 -2.24 116.57 117.22 2gqb h LYS 58 Ca 0.39 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2gqb h LYS 58 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2gqb h LYS 58 CO -0.14 0.52 -0.26 0.00 -0.57 0.00 0.00 179.45 179.00 2gqb h ALA 59 N 1.48 0.86 -0.23 3.86 0.00 -1.22 -3.25 119.26 120.77 2gqb h ALA 59 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2gqb h ALA 59 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2gqb h ALA 59 CO 0.05 0.00 -0.42 -0.22 0.00 0.00 0.00 179.25 178.66 2gqb h LYS 60 N 0.00 0.55 0.00 0.00 1.63 -0.48 -3.47 116.57 114.79 2gqb h LYS 60 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2gqb h LYS 60 Cb 0.93 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2gqb h LYS 60 CO 0.00 0.87 0.00 0.41 -3.45 0.00 0.00 179.45 177.28 2gqb n GLY 61 N 0.01 2.73 3.25 5.01 0.00 -1.18 -5.11 105.19 109.91 2gqb n GLY 61 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2gqb n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqb s GLU 62 N 0.00 1.01 0.02 1.61 -1.05 -1.25 -5.02 118.70 114.01 2gqb s GLU 62 Ca 0.00 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.30 2gqb s GLU 62 Cb 0.00 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 2gqb s GLU 62 CO 0.00 -0.34 1.17 0.21 0.95 0.00 0.00 175.26 177.25 2gqb s LYS 63 N -3.97 4.43 0.21 -4.83 2.47 -1.26 -4.51 119.74 112.27 2gqb s LYS 63 Ca 0.16 1.69 0.08 0.00 -1.56 0.00 0.00 55.97 56.34 2gqb s LYS 63 Cb 0.05 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.94 2gqb s LYS 63 CO -0.02 -0.29 -0.14 -0.51 0.16 0.00 0.00 175.35 174.56 2gqb s LEU 64 N 1.41 2.55 -0.49 5.43 1.43 -1.26 -5.11 118.68 122.64 2gqb s LEU 64 Ca 0.57 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2gqb s LEU 64 Cb -0.27 -0.68 0.13 0.00 0.03 0.00 0.00 46.19 45.40 2gqb s LEU 64 CO 0.27 -0.18 0.23 -1.61 0.23 0.00 0.00 176.35 175.29 2gqb s GLU 65 N -3.65 1.88 0.39 1.70 2.02 -1.26 -4.92 118.70 114.87 2gqb s GLU 65 Ca 0.23 -2.49 0.28 0.00 0.02 0.00 0.00 54.97 53.00 2gqb s GLU 65 Cb -0.01 -3.28 0.97 0.00 0.10 0.00 0.00 34.13 31.92 2gqb s GLU 65 CO 0.07 -1.08 1.80 0.11 0.02 0.00 0.00 175.26 176.18 2gqb h TRP 66 N 6.68 0.00 0.00 1.61 5.08 -1.91 0.14 115.95 127.54 2gqb h TRP 66 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 2gqb h TRP 66 Cb 0.91 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.07 2gqb h TRP 66 CO 0.51 0.00 0.00 2.89 -1.28 0.00 0.00 178.44 180.56 2gqb n ARG 67 N -2.71 0.16 0.06 0.12 1.85 -1.26 -4.29 116.66 110.59 2gqb n ARG 67 Ca 0.02 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2gqb n ARG 67 Cb 0.35 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2gqb n ARG 67 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2gqb n THR 68 N -1.41 0.34 -3.19 8.89 -2.24 -1.07 -4.73 114.28 110.86 2gqb n THR 68 Ca 0.09 0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.59 2gqb n THR 68 Cb 0.26 -1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gqb s SER 69 N -5.27 6.69 0.17 3.42 0.01 0.46 -4.85 113.70 114.33 2gqb s SER 69 Ca 0.00 0.83 0.07 0.00 1.31 0.00 0.00 55.95 58.16 2gqb s SER 69 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2gqb s SER 69 CO 0.00 -0.16 1.39 -0.29 0.41 0.00 0.00 173.24 174.59 2gqb h ILE 70 N 5.00 1.60 -0.30 1.44 6.09 -1.83 -3.15 117.51 126.36 2gqb h ILE 70 Ca -0.36 -2.93 -0.09 0.00 -1.37 0.00 0.00 64.86 60.12 2gqb h ILE 70 Cb 1.16 2.59 -0.02 0.00 0.47 0.00 0.00 36.82 41.03 2gqb h ILE 70 CO 0.76 0.84 -0.18 0.58 -3.07 0.00 0.00 178.15 177.07 2gqb h VAL 71 N 0.01 1.25 0.28 2.19 2.07 -1.92 -2.72 116.25 117.42 2gqb h VAL 71 Ca -0.02 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2gqb h VAL 71 Cb 1.54 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2gqb h VAL 71 CO 0.12 0.38 -0.14 0.44 0.02 0.00 0.00 177.57 178.38 2gqb h ASP 72 N 0.48 -0.34 0.19 0.57 5.19 -1.84 -1.89 116.42 118.78 2gqb h ASP 72 Ca 0.08 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 2gqb h ASP 72 Cb 0.59 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 2gqb h ASP 72 CO 0.04 -0.24 -0.35 0.17 -3.12 0.00 0.00 179.24 175.74 2gqb h LEU 73 N -0.39 0.24 0.25 1.55 8.10 -1.62 -1.07 115.31 122.37 2gqb h LEU 73 Ca -0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 57.85 2gqb h LEU 73 Cb 0.30 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 2gqb h LEU 73 CO 0.06 0.59 -0.12 -0.03 -4.11 0.00 0.00 178.44 174.83 2gqb h MET 74 N 0.21 -0.32 -0.21 0.17 4.05 -1.17 -2.69 114.93 114.97 2gqb h MET 74 Ca 0.02 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.31 2gqb h MET 74 Cb 0.73 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 2gqb h MET 74 CO 0.06 -0.20 -0.52 1.57 0.23 0.00 0.00 176.91 178.05 2gqb h LYS 75 N -0.35 0.59 -0.60 0.39 2.10 -1.29 -3.00 116.57 114.39 2gqb h LYS 75 Ca -0.03 -0.35 0.11 0.00 -2.00 0.00 0.00 60.65 58.37 2gqb h LYS 75 Cb 0.27 0.03 -0.09 0.00 -0.90 0.00 0.00 32.23 31.55 2gqb h LYS 75 CO 0.06 0.96 0.13 0.00 -2.00 0.00 0.00 179.45 178.60 2gqb h ALA 76 N 0.97 0.72 -0.63 0.07 0.00 -1.00 -3.15 119.26 116.24 2gqb h ALA 76 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2gqb h ALA 76 Cb 1.06 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2gqb h ALA 76 CO 0.10 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2gqb n LEU 77 N -5.13 0.17 0.00 0.00 7.99 -1.03 -4.74 117.00 114.26 2gqb n LEU 77 Ca 0.09 0.76 0.00 0.00 -0.01 0.00 0.00 56.01 56.85 2gqb n LEU 77 Cb 0.32 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2gqb n LEU 77 CO 0.17 -0.39 0.00 -0.67 -1.51 0.00 0.00 177.39 174.99 2gqb n ASP 78 N -1.68 0.00 -4.35 -1.43 2.03 -1.19 -5.08 116.55 104.85 2gqb n ASP 78 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2gqb n ASP 78 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 2gqb n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2gqb s ILE 79 N 0.00 2.05 0.29 5.18 -1.09 -1.13 -5.03 121.20 121.46 2gqb s ILE 79 Ca 0.00 -1.61 0.03 0.00 -2.23 0.00 0.00 60.65 56.84 2gqb s ILE 79 Cb 0.00 -1.82 0.28 0.00 -1.58 0.00 0.00 42.46 39.34 2gqb s ILE 79 CO 0.00 0.10 1.76 0.44 -1.23 0.00 0.00 174.94 176.00 2gqb h ASP 80 N 4.13 0.61 -0.83 3.58 5.19 -1.92 -3.38 116.42 123.80 2gqb h ASP 80 Ca -0.48 0.11 -0.27 0.00 -0.62 0.00 0.00 57.03 55.76 2gqb h ASP 80 Cb 1.17 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.58 2gqb h ASP 80 CO 0.40 0.20 -0.24 -1.54 -3.12 0.00 0.00 179.24 174.94 2gqb n SER 81 N -4.86 -4.87 -1.90 6.45 3.41 -1.26 -4.96 113.62 105.64 2gqb n SER 81 Ca 0.21 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2gqb n SER 81 Cb 0.54 -3.94 0.00 0.00 -0.26 0.00 0.00 64.21 60.55 2gqb n SER 81 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gqb n SER 82 N -0.89 0.00 -0.13 4.04 2.88 -1.26 -4.79 113.62 113.47 2gqb n SER 82 Ca -0.13 -0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.02 2gqb n SER 82 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2gqb h LEU 83 N 0.00 0.76 -0.04 2.46 7.12 -1.99 -2.44 115.31 121.19 2gqb h LEU 83 Ca 0.00 -0.38 0.04 0.00 0.13 0.00 0.00 57.88 57.67 2gqb h LEU 83 Cb 0.00 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.87 2gqb h LEU 83 CO 0.00 0.97 -0.30 0.77 -0.13 0.00 0.00 178.44 179.75 2gqb h SER 84 N 0.55 -0.92 -0.02 1.25 4.64 -1.99 -0.58 113.55 116.48 2gqb h SER 84 Ca 0.09 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2gqb h SER 84 Cb 0.66 0.38 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2gqb h SER 84 CO 0.04 -0.36 0.01 0.00 -0.87 0.00 0.00 176.83 175.65 2gqb h ALA 85 N 0.34 0.02 0.00 5.18 0.00 -1.91 -2.10 119.26 120.80 2gqb h ALA 85 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2gqb h ALA 85 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2gqb h ALA 85 CO -0.28 -0.45 -0.21 0.07 0.00 0.00 0.00 179.25 178.38 2gqb h ARG 86 N -0.04 0.00 0.35 0.00 0.11 -1.33 -1.49 114.38 111.99 2gqb h ARG 86 Ca 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2gqb h ARG 86 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2gqb h ARG 86 CO -0.00 0.21 -0.17 -0.22 0.10 0.00 0.00 179.97 179.89 2gqb h LYS 87 N 0.00 -0.46 -0.52 0.08 1.63 -0.63 -2.55 116.57 114.12 2gqb h LYS 87 Ca -0.00 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 2gqb h LYS 87 Cb 0.48 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2gqb h LYS 87 CO 0.03 -0.15 0.18 1.05 -3.45 0.00 0.00 179.45 177.11 2gqb h GLU 88 N -0.96 0.80 -0.19 1.90 4.11 -1.29 -1.88 114.58 117.06 2gqb h GLU 88 Ca -0.05 -0.17 0.02 0.00 0.07 0.00 0.00 59.36 59.24 2gqb h GLU 88 Cb 0.52 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2gqb h GLU 88 CO 0.08 0.73 0.05 1.25 0.07 0.00 0.00 179.01 181.20 2gqb h LEU 89 N 0.71 0.05 -0.99 3.06 5.85 -1.36 -0.60 115.31 122.03 2gqb h LEU 89 Ca 0.17 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2gqb h LEU 89 Cb 0.25 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2gqb h LEU 89 CO -0.01 0.06 0.12 0.00 -0.34 0.00 0.00 178.44 178.27 2gqb h ALA 90 N 1.12 1.18 0.00 1.25 0.00 -1.38 -2.67 119.26 118.77 2gqb h ALA 90 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2gqb h ALA 90 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2gqb h ALA 90 CO -0.10 0.56 -0.41 0.87 0.00 0.00 0.00 179.25 180.17 2gqb h LYS 91 N 0.82 0.00 -0.02 0.00 1.57 -0.59 0.36 116.57 118.72 2gqb h LYS 91 Ca 0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2gqb h LYS 91 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2gqb h LYS 91 CO 0.00 0.41 -0.38 0.93 -0.57 0.00 0.00 179.45 179.84 2gqb h GLU 92 N 0.00 0.03 0.07 3.15 4.39 -0.79 -3.27 114.58 118.17 2gqb h GLU 92 Ca -0.00 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.43 2gqb h GLU 92 Cb 0.73 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2gqb h GLU 92 CO 0.05 0.41 -1.32 -0.07 -1.16 0.00 0.00 179.01 176.93 2gqb h LEU 93 N 0.03 0.24 0.00 1.33 3.38 -1.19 -3.49 115.31 115.61 2gqb h LEU 93 Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2gqb h LEU 93 Cb 0.69 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2gqb h LEU 93 CO 0.05 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.75 2gqb n GLY 94 N 1.67 0.54 2.40 0.83 0.00 0.91 -4.97 105.19 106.56 2gqb n GLY 94 Ca -0.27 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 2gqb n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2gqb n TYR 95 N 0.00 -0.37 -3.11 1.61 9.36 0.82 -4.83 117.16 120.64 2gqb n TYR 95 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 2gqb n TYR 95 Cb 0.00 -3.10 -0.05 0.00 -0.63 0.00 0.00 39.34 35.56 2gqb n TYR 95 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2gqb s SER 96 N -2.56 6.89 0.00 2.98 1.04 -1.26 -4.97 113.70 115.82 2gqb s SER 96 Ca 0.00 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2gqb s SER 96 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2gqb s SER 96 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2gqb n GLY 97 N 3.20 2.05 2.00 7.32 0.00 -1.26 -5.03 105.19 113.47 2gqb n GLY 97 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2gqb n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqb n ASP 98 N 0.00 -0.13 0.00 1.61 -0.08 -1.26 -4.90 116.55 111.79 2gqb n ASP 98 Ca 0.00 0.28 0.12 0.00 -1.51 0.00 0.00 54.79 53.69 2gqb n ASP 98 Cb 0.00 0.26 0.60 0.00 2.34 0.00 0.00 41.12 44.32 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 2gqb n MET 99 N -3.05 0.19 -0.03 -0.67 0.00 -1.26 -2.15 117.12 110.15 2gqb n MET 99 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 57.70 57.88 2gqb n MET 99 Cb 0.00 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.17 2gqb n MET 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2gqb n ASN 100 N -1.39 1.67 -1.16 3.17 6.94 -1.26 -5.05 115.26 118.18 2gqb n ASN 100 Ca 0.09 -1.61 0.15 0.00 -0.02 0.00 0.00 54.58 53.19 2gqb n ASN 100 Cb 0.25 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.58 2gqb n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2gqb n ASP 101 N 0.31 -6.91 0.27 0.53 2.03 -0.92 -2.42 116.55 109.45 2gqb n ASP 101 Ca 0.18 1.18 0.17 0.00 0.52 0.00 0.00 54.79 56.83 2gqb n ASP 101 Cb 0.36 -3.31 0.61 0.00 -0.72 0.00 0.00 41.12 38.06 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gqb h SER 102 N -1.02 0.00 0.18 1.67 0.02 -1.97 -3.01 113.55 109.42 2gqb h SER 102 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2gqb h SER 102 Cb 1.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2gqb h SER 102 CO 0.01 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 175.43 2gqb h ALA 103 N 2.00 -0.89 0.00 3.77 0.00 -2.00 -2.14 119.26 120.00 2gqb h ALA 103 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gqb h ALA 103 Cb 0.58 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gqb h ALA 103 CO 0.00 -0.92 0.00 0.43 0.00 0.00 0.00 179.25 178.76 2gqb n SER 104 N -3.99 0.00 -0.12 0.00 7.64 -1.02 -3.03 113.62 113.11 2gqb n SER 104 Ca -0.05 0.44 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 2gqb n SER 104 Cb 0.23 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2gqb n SER 104 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gqb h MET 105 N 0.00 0.79 -0.30 1.43 -1.53 -1.28 0.16 114.93 114.19 2gqb h MET 105 Ca 0.00 -0.37 -0.10 0.00 -3.44 0.00 0.00 59.70 55.80 2gqb h MET 105 Cb 0.40 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 2gqb h MET 105 CO 0.00 0.99 -0.21 -0.97 0.14 0.00 0.00 176.91 176.86 2gqb h ASN 106 N 0.57 0.57 0.02 1.39 -1.24 -1.32 -2.42 115.58 113.15 2gqb h ASN 106 Ca 0.07 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2gqb h ASN 106 Cb 0.79 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2gqb h ASN 106 CO 0.06 0.78 -0.01 0.40 -1.29 0.00 0.00 177.43 177.38 2gqb h ILE 107 N 0.51 1.42 -0.04 2.57 2.04 -1.55 -2.30 117.51 120.15 2gqb h ILE 107 Ca 0.08 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.58 2gqb h ILE 107 Cb 0.65 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2gqb h ILE 107 CO 0.05 0.35 -0.03 -0.25 0.00 0.00 0.00 178.15 178.27 2gqb h TRP 108 N -0.62 -0.06 -0.45 1.37 7.01 -0.69 -2.18 115.95 120.33 2gqb h TRP 108 Ca -0.00 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2gqb h TRP 108 Cb 0.59 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 2gqb h TRP 108 CO 0.13 -0.04 0.03 1.25 -2.79 0.00 0.00 178.44 177.01 2gqb h LEU 109 N -0.03 0.67 -0.86 0.65 6.46 -1.53 -1.87 115.31 118.80 2gqb h LEU 109 Ca 0.03 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2gqb h LEU 109 Cb 0.07 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 2gqb h LEU 109 CO -0.06 0.72 0.57 -0.74 -0.62 0.00 0.00 178.44 178.31 2gqb h HIS 110 N 0.67 1.08 0.07 1.25 2.76 -1.06 -1.77 115.15 118.15 2gqb h HIS 110 Ca 0.14 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2gqb h HIS 110 Cb 0.38 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2gqb h HIS 110 CO 0.02 0.67 -0.04 0.87 -1.30 0.00 0.00 177.93 178.16 2gqb h LYS 111 N 1.16 -0.10 -0.48 5.26 1.57 -0.74 -2.73 116.57 120.51 2gqb h LYS 111 Ca 0.32 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 2gqb h LYS 111 Cb -0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2gqb h LYS 111 CO -0.07 0.19 0.26 1.96 -0.57 0.00 0.00 179.45 181.21 2gqb h GLN 112 N -0.38 0.50 -0.72 3.15 1.08 -1.15 -1.72 115.11 115.86 2gqb h GLN 112 Ca -0.01 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 2gqb h GLN 112 Cb 0.33 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2gqb h GLN 112 CO 0.02 0.33 0.23 0.28 -0.95 0.00 0.00 178.83 178.74 2gqb h VAL 113 N 0.51 1.26 -0.52 -0.54 2.07 -1.37 -2.48 116.25 115.18 2gqb h VAL 113 Ca 0.20 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2gqb h VAL 113 Cb 0.08 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2gqb h VAL 113 CO -0.13 0.35 0.23 0.24 0.02 0.00 0.00 177.57 178.28 2gqb h MET 114 N 1.07 0.73 0.00 1.57 2.86 -1.08 -0.54 114.93 119.54 2gqb h MET 114 Ca 0.23 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2gqb h MET 114 Cb 0.30 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2gqb h MET 114 CO -0.01 0.58 0.00 1.03 1.06 0.00 0.00 176.91 179.58 2gqb h SER 115 N 0.73 0.00 0.00 1.22 0.87 -0.87 -0.07 113.55 115.43 2gqb h SER 115 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2gqb h SER 115 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2gqb h SER 115 CO -0.02 0.00 -0.97 0.29 -0.53 0.00 0.00 176.83 175.60 2gqb n LYS 116 N -2.85 0.43 0.00 2.24 4.76 -0.32 -4.36 118.16 118.06 2gqb n LYS 116 Ca -0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2gqb n LYS 116 Cb 0.21 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2gqb n LEU 117 N -1.49 0.00 0.21 -0.35 7.94 -0.50 -4.70 117.00 118.11 2gqb n LEU 117 Ca 0.04 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.08 2gqb n LEU 117 Cb 0.32 -0.22 0.52 0.00 0.53 0.00 0.00 43.42 44.57 2gqb n LEU 117 CO 0.41 -0.37 0.92 -0.37 -1.11 0.00 0.00 177.39 176.86 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.32 -1.98 116.25 113.40 2gqb h VAL 118 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2gqb h VAL 118 Cb 0.00 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 2gqb h VAL 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2gqb n ALA 119 N -1.97 2.39 1.29 5.19 0.00 -1.21 -1.61 120.51 124.59 2gqb n ALA 119 Ca 0.02 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2gqb n ALA 119 Cb 0.33 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 18.78 2gqb n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gqb n ASN 120 N -1.03 1.17 0.00 0.00 5.03 -0.74 -4.86 115.26 114.84 2gqb n ASN 120 Ca 0.18 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.58 2gqb n ASN 120 Cb 0.09 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gqb n GLY 121 N 1.31 0.47 3.77 7.41 0.00 -0.97 -5.02 105.19 112.16 2gqb n GLY 121 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2gqb n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 122 N -0.49 2.96 -0.04 -0.02 0.00 -0.63 -1.20 107.32 107.90 2gqb s GLY 122 Ca 0.00 1.19 0.05 0.00 0.00 0.00 0.00 44.72 45.96 2gqb s GLY 122 CO 0.00 1.80 -0.17 1.25 0.00 0.00 0.00 173.10 175.98 2gqb s LYS 123 N -2.01 2.39 0.07 2.90 2.36 0.27 -4.67 119.74 121.05 2gqb s LYS 123 Ca 0.53 -0.76 0.03 0.00 -2.55 0.00 0.00 55.97 53.21 2gqb s LYS 123 Cb -0.37 -2.30 -0.03 0.00 -1.05 0.00 0.00 37.83 34.07 2gqb s LYS 123 CO 0.49 0.61 -0.09 -0.48 1.55 0.00 0.00 175.35 177.43 2gqb s LEU 124 N -0.77 2.35 0.84 5.43 -0.00 -1.26 -0.83 118.68 124.45 2gqb s LEU 124 Ca 0.11 -0.72 -0.12 0.00 -0.00 0.00 0.00 54.13 53.40 2gqb s LEU 124 Cb -0.10 -0.23 0.11 0.00 -0.00 0.00 0.00 46.19 45.96 2gqb s LEU 124 CO 0.01 -0.26 1.19 -2.84 -0.00 0.00 0.00 176.35 174.45 2gqb s PRO 125 N -2.38 1.41 0.00 1.48 0.02 -1.26 -4.86 135.00 129.42 2gqb s PRO 125 Ca -0.01 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.74 2gqb s PRO 125 Cb -0.05 -1.76 0.21 0.00 0.02 0.00 0.00 34.50 32.92 2gqb s PRO 125 CO -0.00 -2.37 0.60 -2.30 -0.33 0.00 0.00 177.00 172.60 2gqb n PRO 126 N -3.63 0.15 0.09 5.54 -0.02 -1.26 -1.66 135.00 134.20 2gqb n PRO 126 Ca 0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.53 2gqb n PRO 126 Cb 0.51 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.59 2gqb n PRO 126 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gqb h GLU 127 N 0.00 0.12 -4.18 -0.52 4.39 -2.00 -3.39 114.58 109.00 2gqb h GLU 127 Ca 0.00 -0.14 -0.75 0.00 0.34 0.00 0.00 59.36 58.81 2gqb h GLU 127 Cb 0.00 0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 28.52 2gqb h GLU 127 CO 0.00 0.94 1.55 -0.89 -1.16 0.00 0.00 179.01 179.45 2gqb n ILE 128 N -3.57 4.34 -3.22 3.13 -0.00 -0.66 -4.69 119.36 114.68 2gqb n ILE 128 Ca -0.03 -4.68 -0.01 0.00 -0.00 0.00 0.00 62.75 58.04 2gqb n ILE 128 Cb 0.84 -2.42 -0.02 0.00 -0.00 0.00 0.00 39.64 38.05 2gqb n ILE 128 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2gqb s LYS 129 N 0.85 0.77 0.00 0.38 -0.14 -1.26 -4.98 119.74 115.36 2gqb s LYS 129 Ca 0.41 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2gqb s LYS 129 Cb 0.02 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.18 2gqb s LYS 129 CO 0.00 -1.18 0.11 0.72 -0.76 0.00 0.00 175.35 174.24