#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 5.96 0.35 6.12 0.01 -1.26 -4.30 113.70 120.58 2gqb s SER 2 Ca 0.00 -1.68 0.18 0.00 1.31 0.00 0.00 55.95 55.76 2gqb s SER 2 Cb 0.00 -2.11 0.57 0.00 0.21 0.00 0.00 66.02 64.69 2gqb s SER 2 CO 0.00 -0.72 1.68 0.40 0.41 0.00 0.00 173.24 175.02 2gqb h ILE 3 N 5.96 0.92 0.00 1.44 2.04 -1.91 -1.59 117.51 124.37 2gqb h ILE 3 Ca -0.26 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 63.91 2gqb h ILE 3 Cb 1.09 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2gqb h ILE 3 CO 0.91 0.40 -0.08 2.19 0.00 0.00 0.00 178.15 181.57 2gqb h PHE 4 N 0.00 0.00 0.00 1.37 -5.15 -1.94 0.29 116.94 111.52 2gqb h PHE 4 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.76 2gqb h PHE 4 Cb 0.99 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.16 2gqb h PHE 4 CO 0.00 0.08 -0.91 0.78 -2.00 0.00 0.00 178.31 176.26 2gqb h GLY 5 N 0.63 0.00 0.92 6.09 0.00 -1.70 -3.25 103.07 105.75 2gqb h GLY 5 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2gqb h GLY 5 CO 0.01 0.00 -0.63 0.50 0.00 0.00 0.00 176.54 176.42 2gqb h LYS 6 N 0.00 0.54 -0.03 4.80 1.57 -0.40 -3.24 116.57 119.81 2gqb h LYS 6 Ca -0.00 -0.50 -0.20 0.00 -1.87 0.00 0.00 60.65 58.08 2gqb h LYS 6 Cb 1.01 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2gqb h LYS 6 CO 0.00 1.13 -0.83 -0.84 -0.57 0.00 0.00 179.45 178.34 2gqb h ILE 7 N 0.13 1.42 0.00 1.86 3.07 -1.24 -3.10 117.51 119.64 2gqb h ILE 7 Ca -0.06 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 63.99 2gqb h ILE 7 Cb 1.30 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 40.14 2gqb h ILE 7 CO 0.13 0.70 0.00 1.15 -1.05 0.00 0.00 178.15 179.08 2gqb n MET 8 N -3.76 0.07 0.01 0.16 0.00 -1.23 -3.15 117.12 109.23 2gqb n MET 8 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.89 2gqb n MET 8 Cb 0.77 -1.62 0.31 0.00 0.00 0.00 0.00 33.22 32.68 2gqb n MET 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2gqb h SER 9 N 0.00 0.47 0.11 3.17 0.87 -1.56 0.88 113.55 117.50 2gqb h SER 9 Ca 0.00 -0.08 -0.37 0.00 -1.23 0.00 0.00 61.79 60.11 2gqb h SER 9 Cb 0.38 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2gqb h SER 9 CO 0.00 0.53 -2.09 0.00 -0.53 0.00 0.00 176.83 174.74 2gqb n ALA 10 N -2.48 1.01 0.01 6.23 0.00 -1.19 -3.24 120.51 120.85 2gqb n ALA 10 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 2gqb n ALA 10 Cb 0.23 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2gqb n ALA 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gqb h ILE 11 N 0.06 1.01 -0.58 0.00 2.04 -1.49 -2.42 117.51 116.13 2gqb h ILE 11 Ca -0.45 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2gqb h ILE 11 Cb 2.01 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2gqb h ILE 11 CO 0.05 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.71 2gqb n PHE 12 N -5.05 2.10 -0.13 1.37 3.01 0.29 -4.20 117.46 114.84 2gqb n PHE 12 Ca -0.06 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.67 2gqb n PHE 12 Cb 0.03 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gqb n GLY 13 N 0.60 2.14 3.21 1.37 0.00 -0.92 -4.99 105.19 106.60 2gqb n GLY 13 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.85 1.65 0.00 1.61 2.15 -1.15 -4.95 116.67 115.14 2gqb s ASP 14 Ca 0.00 -0.87 0.03 0.00 0.43 0.00 0.00 52.55 52.15 2gqb s ASP 14 Cb 0.00 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.67 2gqb s ASP 14 CO 0.00 -0.26 0.82 -1.20 -0.17 0.00 0.00 175.17 174.37 2gqb n SER 15 N 0.35 -0.14 0.00 -0.34 7.64 -1.26 -4.96 113.62 114.91 2gqb n SER 15 Ca -0.14 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2gqb n SER 15 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.07 0.59 -3.08 -0.43 0.00 -1.26 -4.96 120.51 111.44 2gqb n ALA 16 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2gqb n ALA 16 Cb 0.68 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 17 N -1.00 3.13 0.00 0.00 0.00 -1.26 -4.49 121.76 118.14 2gqb s ALA 17 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2gqb s ALA 17 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2gqb s ALA 17 CO 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 175.76 174.71 2gqb n ALA 18 N 4.90 0.00 -2.02 0.00 0.00 -1.26 -4.98 120.51 117.15 2gqb n ALA 18 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2gqb n ALA 18 Cb 0.47 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gqb s SER 19 N -2.41 7.27 0.07 0.00 1.04 -1.26 -4.52 113.70 113.89 2gqb s SER 19 Ca 0.00 1.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.70 2gqb s SER 19 Cb 0.00 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 2gqb s SER 19 CO 0.00 0.14 1.79 -2.16 0.98 0.00 0.00 173.24 173.99 2gqb s PRO 20 N -1.46 4.16 0.00 4.02 0.04 -1.26 -4.52 135.00 135.98 2gqb s PRO 20 Ca 0.39 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2gqb s PRO 20 Cb -0.21 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2gqb s PRO 20 CO 0.24 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2gqb n GLY 21 N 4.22 -2.15 2.83 0.56 0.00 -1.26 -5.10 105.19 104.28 2gqb n GLY 21 Ca 0.18 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.71 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 3.18 3.46 -0.02 0.00 -1.26 -5.09 105.19 105.47 2gqb n GLY 22 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.08 -0.52 0.35 4.61 0.00 -1.26 -5.03 121.76 116.83 2gqb s ALA 23 Ca 0.28 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2gqb s ALA 23 Cb 0.01 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2gqb s ALA 23 CO 0.19 -0.75 0.54 -0.65 0.00 0.00 0.00 175.76 175.09 2gqb s GLN 24 N -3.92 3.36 -0.17 0.00 -0.21 -1.26 -5.10 119.66 112.36 2gqb s GLN 24 Ca 0.13 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.04 2gqb s GLN 24 Cb 0.01 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.34 2gqb s GLN 24 CO -0.00 0.10 -0.19 0.00 -2.12 0.00 0.00 175.29 173.07 2gqb s ALA 25 N -2.30 2.35 -0.10 6.09 0.00 -1.26 -5.08 121.76 121.45 2gqb s ALA 25 Ca 0.41 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2gqb s ALA 25 Cb -0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 2gqb s ALA 25 CO 0.35 -0.24 2.06 -1.25 0.00 0.00 0.00 175.76 176.68 2gqb s PRO 26 N 1.14 3.64 -0.74 0.00 0.04 -1.26 -4.93 135.00 132.88 2gqb s PRO 26 Ca 0.01 2.27 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 2gqb s PRO 26 Cb -0.14 -4.25 0.15 0.00 0.04 0.00 0.00 34.50 30.30 2gqb s PRO 26 CO -0.08 -1.52 0.80 0.00 0.04 0.00 0.00 177.00 176.23 2gqb s ALA 27 N 6.33 3.66 0.34 8.56 0.00 -1.26 -5.04 121.76 134.35 2gqb s ALA 27 Ca 0.93 -2.76 -0.22 0.00 0.00 0.00 0.00 51.96 49.91 2gqb s ALA 27 Cb -0.37 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.03 2gqb s ALA 27 CO 0.38 -2.44 0.89 0.99 0.00 0.00 0.00 175.76 175.58 2gqb s THR 28 N 1.71 4.37 -0.22 0.00 2.01 -1.26 -4.98 115.64 117.27 2gqb s THR 28 Ca 0.18 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 2gqb s THR 28 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2gqb s THR 28 CO -0.03 -0.03 1.97 -0.89 -0.69 0.00 0.00 174.62 174.95 2gqb s THR 29 N -1.82 3.26 0.01 -0.82 2.01 -1.26 -4.31 115.64 112.71 2gqb s THR 29 Ca 0.53 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2gqb s THR 29 Cb -0.14 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2gqb s THR 29 CO 0.19 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2gqb n GLY 30 N 5.34 -2.02 0.05 4.40 0.00 -1.26 -5.03 105.19 106.68 2gqb n GLY 30 Ca 0.25 0.69 -0.01 0.00 0.00 0.00 0.00 46.02 46.95 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb h ALA 31 N 0.00 0.00 0.00 4.61 0.00 -1.99 -3.47 119.26 118.41 2gqb h ALA 31 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gqb h ALA 31 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gqb h ALA 31 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2gqb n ALA 32 N -2.91 0.00 -1.27 0.00 0.00 -1.26 -4.57 120.51 110.49 2gqb n ALA 32 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 2gqb n ALA 32 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 2gqb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqb n GLY 33 N 0.00 3.82 3.01 0.00 0.00 -1.26 -4.64 105.19 106.13 2gqb n GLY 33 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 2gqb n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gqb s THR 34 N 0.69 -0.78 -0.07 2.61 2.01 -1.26 -5.16 115.64 113.68 2gqb s THR 34 Ca 0.65 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2gqb s THR 34 Cb 0.27 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2gqb s THR 34 CO -0.06 -0.11 -0.02 0.00 -0.69 0.00 0.00 174.62 173.74 2gqb s ALA 35 N 2.67 3.20 -0.49 7.40 0.00 -1.26 -5.06 121.76 128.22 2gqb s ALA 35 Ca 0.14 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 2gqb s ALA 35 Cb -0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 2gqb s ALA 35 CO -0.22 0.59 1.72 -1.25 0.00 0.00 0.00 175.76 176.60 2gqb s PRO 36 N -0.92 3.07 -0.79 0.00 0.04 -1.26 -4.93 135.00 130.21 2gqb s PRO 36 Ca 0.14 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.81 2gqb s PRO 36 Cb -0.11 -4.24 -0.01 0.00 0.04 0.00 0.00 34.50 30.18 2gqb s PRO 36 CO 0.03 -2.19 1.71 0.95 0.04 0.00 0.00 177.00 177.54 2gqb s THR 37 N 7.48 3.54 -0.29 1.26 -4.23 -1.26 -4.92 115.64 117.22 2gqb s THR 37 Ca 0.68 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 2gqb s THR 37 Cb -0.16 -4.33 0.09 0.00 1.34 0.00 0.00 72.50 69.44 2gqb s THR 37 CO 0.27 -1.27 0.05 0.00 -0.54 0.00 0.00 174.62 173.13 2gqb s ALA 38 N 8.08 1.91 0.59 3.99 0.00 -1.26 -5.12 121.76 129.95 2gqb s ALA 38 Ca 0.58 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 2gqb s ALA 38 Cb -0.08 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2gqb s ALA 38 CO 0.08 -1.53 1.19 -2.14 0.00 0.00 0.00 175.76 173.36 2gqb s PRO 39 N 1.42 3.03 -0.32 0.00 0.02 -1.26 -5.00 135.00 132.89 2gqb s PRO 39 Ca 0.06 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.70 2gqb s PRO 39 Cb -0.18 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 2gqb s PRO 39 CO -0.16 -1.15 0.45 -1.14 -0.33 0.00 0.00 177.00 174.67 2gqb s GLN 40 N -3.33 3.76 -0.81 5.54 0.74 -1.26 -5.02 119.66 119.28 2gqb s GLN 40 Ca 0.77 -0.11 -0.26 0.00 0.05 0.00 0.00 55.36 55.81 2gqb s GLN 40 Cb -0.29 -3.75 0.03 0.00 1.10 0.00 0.00 33.01 30.10 2gqb s GLN 40 CO 0.32 -0.49 1.38 -2.14 -0.55 0.00 0.00 175.29 173.81 2gqb s PRO 41 N 2.22 3.25 -1.06 1.67 0.02 -1.26 -4.95 135.00 134.89 2gqb s PRO 41 Ca 0.17 -0.43 -0.22 0.00 0.02 0.00 0.00 61.00 60.53 2gqb s PRO 41 Cb -0.16 -4.54 0.04 0.00 0.02 0.00 0.00 34.50 29.86 2gqb s PRO 41 CO 0.12 -2.24 1.58 0.99 -0.33 0.00 0.00 177.00 177.12 2gqb s THR 42 N 5.85 3.88 -0.20 0.99 2.01 -1.26 -4.87 115.64 122.05 2gqb s THR 42 Ca 0.41 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 61.21 2gqb s THR 42 Cb -0.06 -4.93 0.09 0.00 0.01 0.00 0.00 72.50 67.61 2gqb s THR 42 CO 0.08 -1.80 0.82 0.00 -0.69 0.00 0.00 174.62 173.04 2gqb s ALA 43 N 5.71 -1.85 -0.46 7.40 0.00 -1.26 -5.11 121.76 126.19 2gqb s ALA 43 Ca 0.51 1.76 0.03 0.00 0.00 0.00 0.00 51.96 54.26 2gqb s ALA 43 Cb -0.00 -0.89 0.22 0.00 0.00 0.00 0.00 23.12 22.45 2gqb s ALA 43 CO -0.05 -0.32 0.89 0.00 0.00 0.00 0.00 175.76 176.28 2gqb n ALA 44 N 1.86 -2.30 0.95 0.00 0.00 -1.26 -5.00 120.51 114.75 2gqb n ALA 44 Ca -0.14 -0.84 0.13 0.00 0.00 0.00 0.00 53.44 52.59 2gqb n ALA 44 Cb 0.56 -1.97 0.36 0.00 0.00 0.00 0.00 19.45 18.40 2gqb n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2gqb n PRO 45 N 2.41 0.04 -4.28 0.00 -0.04 -1.26 -4.87 135.00 127.00 2gqb n PRO 45 Ca 0.13 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.41 2gqb n PRO 45 Cb 0.61 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.17 1.59 -0.38 3.54 0.15 -1.26 -5.05 113.70 109.13 2gqb s SER 46 Ca 0.11 -0.49 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 2gqb s SER 46 Cb 0.17 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2gqb s SER 46 CO 0.65 -0.01 0.20 -0.63 1.20 0.00 0.00 173.24 174.65 2gqb s ILE 47 N -0.97 4.35 -0.54 6.45 -1.09 -0.90 -4.97 121.20 123.52 2gqb s ILE 47 Ca 0.00 -1.02 -0.28 0.00 -2.23 0.00 0.00 60.65 57.12 2gqb s ILE 47 Cb -0.08 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2gqb s ILE 47 CO 0.01 -0.28 1.16 -0.62 -1.23 0.00 0.00 174.94 173.98 2gqb s ASP 48 N 1.62 6.50 0.30 3.58 -1.08 -1.26 0.12 116.67 126.45 2gqb s ASP 48 Ca 0.01 0.19 0.21 0.00 -0.52 0.00 0.00 52.55 52.44 2gqb s ASP 48 Cb -0.20 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.85 2gqb s ASP 48 CO 0.05 -1.39 1.31 0.58 0.52 0.00 0.00 175.17 176.24 2gqb h VAL 49 N 6.17 0.17 0.24 1.11 2.07 -1.60 -3.37 116.25 121.04 2gqb h VAL 49 Ca -0.24 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2gqb h VAL 49 Cb 1.06 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2gqb h VAL 49 CO 1.16 0.10 -0.13 0.00 0.02 0.00 0.00 177.57 178.72 2gqb h ALA 50 N 1.87 -0.34 -0.33 1.67 0.00 -1.89 -2.28 119.26 117.96 2gqb h ALA 50 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2gqb h ALA 50 Cb 1.11 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2gqb h ALA 50 CO 0.01 -0.70 -0.18 -1.35 0.00 0.00 0.00 179.25 177.04 2gqb h PRO 51 N -0.35 0.61 -0.31 0.00 0.11 -1.91 -1.40 132.00 128.75 2gqb h PRO 51 Ca -0.03 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2gqb h PRO 51 Cb 0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2gqb h PRO 51 CO 0.04 0.76 0.16 0.82 -0.21 0.00 0.00 178.00 179.57 2gqb h ILE 52 N 0.55 1.14 0.15 4.15 2.04 -1.69 -0.88 117.51 122.97 2gqb h ILE 52 Ca 0.09 -0.40 -0.30 0.00 1.00 0.00 0.00 64.86 65.25 2gqb h ILE 52 Cb 0.62 0.84 0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2gqb h ILE 52 CO 0.04 0.15 -1.29 -0.07 0.00 0.00 0.00 178.15 176.98 2gqb h LEU 53 N 0.37 0.81 -0.65 1.44 3.38 -1.34 -2.07 115.31 117.26 2gqb h LEU 53 Ca 0.11 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 2gqb h LEU 53 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2gqb h LEU 53 CO -0.02 1.59 0.34 0.44 0.09 0.00 0.00 178.44 180.88 2gqb h ASP 54 N 0.22 0.83 0.59 -0.43 5.19 -1.19 0.67 116.42 122.30 2gqb h ASP 54 Ca -0.19 -0.11 -0.14 0.00 -0.62 0.00 0.00 57.03 55.96 2gqb h ASP 54 Cb 1.97 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 41.25 2gqb h ASP 54 CO 0.24 0.71 -0.65 0.11 -3.12 0.00 0.00 179.24 176.53 2gqb h LYS 55 N 0.89 0.05 -0.20 3.56 6.56 -1.23 -2.98 116.57 123.23 2gqb h LYS 55 Ca 0.23 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.68 2gqb h LYS 55 Cb 0.08 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2gqb h LYS 55 CO -0.03 0.68 -0.29 0.00 -2.06 0.00 0.00 179.45 177.75 2gqb h ALA 56 N 1.31 1.15 0.05 3.86 0.00 -0.68 -2.22 119.26 122.73 2gqb h ALA 56 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2gqb h ALA 56 Cb 1.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2gqb h ALA 56 CO 0.09 0.54 -0.10 0.28 0.00 0.00 0.00 179.25 180.06 2gqb h VAL 57 N 0.33 0.76 0.00 0.00 2.07 -0.73 0.29 116.25 118.97 2gqb h VAL 57 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2gqb h VAL 57 Cb 0.68 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2gqb h VAL 57 CO 0.05 0.00 -0.03 0.07 0.02 0.00 0.00 177.57 177.68 2gqb h LYS 58 N -0.20 0.00 0.04 1.57 2.10 -1.53 -2.58 116.57 115.98 2gqb h LYS 58 Ca 0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.43 2gqb h LYS 58 Cb 0.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 2gqb h LYS 58 CO -0.07 0.03 -1.21 0.00 -2.00 0.00 0.00 179.45 176.21 2gqb h ALA 59 N 1.97 0.34 -0.24 0.07 0.00 -0.84 -3.32 119.26 117.24 2gqb h ALA 59 Ca -0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 54.91 53.90 2gqb h ALA 59 Cb 0.66 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2gqb h ALA 59 CO 0.00 1.22 0.14 -0.22 0.00 0.00 0.00 179.25 180.39 2gqb h LYS 60 N 0.02 0.33 0.00 0.00 3.11 -0.02 -3.47 116.57 116.54 2gqb h LYS 60 Ca -0.10 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2gqb h LYS 60 Cb 1.88 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.04 2gqb h LYS 60 CO 0.14 0.28 0.00 0.41 -2.81 0.00 0.00 179.45 177.48 2gqb n GLY 61 N -0.98 1.00 3.69 5.01 0.00 -1.15 -5.11 105.19 107.63 2gqb n GLY 61 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 1.59 -0.35 1.61 -1.05 -1.24 -5.09 118.70 114.17 2gqb s GLU 62 Ca 0.00 -0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 2gqb s GLU 62 Cb 0.00 0.60 0.02 0.00 -0.44 0.00 0.00 34.13 34.31 2gqb s GLU 62 CO 0.00 -0.72 1.07 0.21 0.95 0.00 0.00 175.26 176.77 2gqb s LYS 63 N -3.85 3.99 0.26 -4.83 2.36 -1.26 -4.43 119.74 111.98 2gqb s LYS 63 Ca 0.07 0.94 0.09 0.00 -2.55 0.00 0.00 55.97 54.52 2gqb s LYS 63 Cb -0.04 -3.77 -0.04 0.00 -1.05 0.00 0.00 37.83 32.93 2gqb s LYS 63 CO -0.01 -0.98 0.08 -0.51 1.55 0.00 0.00 175.35 175.48 2gqb s LEU 64 N 3.76 3.43 -0.56 5.43 1.43 -1.26 -5.07 118.68 125.84 2gqb s LEU 64 Ca 0.45 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2gqb s LEU 64 Cb -0.11 -1.95 0.30 0.00 0.03 0.00 0.00 46.19 44.45 2gqb s LEU 64 CO 0.18 -0.03 0.81 1.21 0.23 0.00 0.00 176.35 178.76 2gqb n GLU 65 N -1.01 2.51 0.02 1.70 4.07 -1.26 -4.91 120.64 121.75 2gqb n GLU 65 Ca -0.07 -4.50 0.05 0.00 -0.06 0.00 0.00 57.16 52.59 2gqb n GLU 65 Cb 0.59 -2.10 0.22 0.00 -0.06 0.00 0.00 31.44 30.09 2gqb n GLU 65 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2gqb n TRP 66 N 0.38 0.10 0.07 4.31 4.27 -1.26 -1.20 117.44 124.11 2gqb n TRP 66 Ca 0.29 0.05 -0.12 0.00 -3.89 0.00 0.00 57.50 53.82 2gqb n TRP 66 Cb 0.44 -0.57 -0.07 0.00 -1.36 0.00 0.00 31.31 29.75 2gqb n TRP 66 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gqb h ARG 67 N 0.00 -0.10 0.00 -2.67 2.47 -1.99 -3.36 114.38 108.73 2gqb h ARG 67 Ca 0.00 0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 2gqb h ARG 67 Cb 0.15 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 2gqb h ARG 67 CO 0.00 -0.07 -1.60 -2.37 0.56 0.00 0.00 179.97 176.50 2gqb n THR 68 N -5.15 0.58 -2.89 2.04 5.66 -1.07 -4.68 114.28 108.78 2gqb n THR 68 Ca -0.07 -0.37 -0.43 0.00 -3.05 0.00 0.00 64.05 60.13 2gqb n THR 68 Cb 0.08 -0.74 -0.05 0.00 -1.55 0.00 0.00 70.33 68.08 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2gqb s SER 69 N -4.05 6.40 0.44 1.09 0.01 -0.34 -4.84 113.70 112.41 2gqb s SER 69 Ca -0.04 -0.18 0.23 0.00 1.31 0.00 0.00 55.95 57.27 2gqb s SER 69 Cb 0.03 -2.41 0.97 0.00 0.21 0.00 0.00 66.02 64.81 2gqb s SER 69 CO 0.36 -1.05 1.86 -0.29 0.41 0.00 0.00 173.24 174.52 2gqb h ILE 70 N 6.01 0.67 0.00 1.44 6.09 -1.83 -2.46 117.51 127.43 2gqb h ILE 70 Ca -0.25 -1.10 -0.12 0.00 -1.37 0.00 0.00 64.86 62.02 2gqb h ILE 70 Cb 1.08 1.71 -0.02 0.00 0.47 0.00 0.00 36.82 40.06 2gqb h ILE 70 CO 1.02 0.24 -0.58 0.58 -3.07 0.00 0.00 178.15 176.35 2gqb h VAL 71 N 0.00 1.36 -0.07 2.19 2.07 -1.94 -3.13 116.25 116.73 2gqb h VAL 71 Ca -0.00 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 2gqb h VAL 71 Cb 0.69 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2gqb h VAL 71 CO 0.03 0.57 -0.11 0.44 0.02 0.00 0.00 177.57 178.52 2gqb h ASP 72 N 0.00 0.22 0.50 0.57 3.32 -1.77 -2.42 116.42 116.84 2gqb h ASP 72 Ca -0.01 -0.54 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 2gqb h ASP 72 Cb 1.06 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2gqb h ASP 72 CO 0.08 0.72 -0.23 0.17 -1.72 0.00 0.00 179.24 178.25 2gqb h LEU 73 N -0.28 0.00 0.07 1.55 8.10 -1.64 -0.69 115.31 122.43 2gqb h LEU 73 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2gqb h LEU 73 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2gqb h LEU 73 CO 0.03 0.23 -0.03 -0.03 -4.11 0.00 0.00 178.44 174.52 2gqb h MET 74 N 0.00 -0.09 -0.04 0.17 4.05 -1.47 -2.94 114.93 114.61 2gqb h MET 74 Ca -0.00 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.28 2gqb h MET 74 Cb 0.54 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2gqb h MET 74 CO 0.03 0.20 -0.64 1.57 0.23 0.00 0.00 176.91 178.29 2gqb h LYS 75 N -0.38 0.16 -0.68 0.39 2.10 -1.21 -3.16 116.57 113.78 2gqb h LYS 75 Ca -0.01 -0.12 0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2gqb h LYS 75 Cb 0.33 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.64 2gqb h LYS 75 CO 0.02 0.75 0.43 0.00 -2.00 0.00 0.00 179.45 178.64 2gqb h ALA 76 N 1.22 0.88 0.10 0.07 0.00 -1.09 -3.15 119.26 117.29 2gqb h ALA 76 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2gqb h ALA 76 Cb 1.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2gqb h ALA 76 CO 0.09 0.21 -0.05 1.25 0.00 0.00 0.00 179.25 180.75 2gqb h LEU 77 N 0.85 -0.12 0.00 0.00 7.12 -1.54 -3.42 115.31 118.20 2gqb h LEU 77 Ca 0.27 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.28 2gqb h LEU 77 Cb -0.01 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2gqb h LEU 77 CO -0.10 -0.08 0.00 -0.67 -0.13 0.00 0.00 178.44 177.47 2gqb n ASP 78 N -2.42 0.00 -4.20 1.25 2.03 -1.19 -5.05 116.55 106.98 2gqb n ASP 78 Ca -0.02 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.11 2gqb n ASP 78 Cb 0.05 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 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 1.19 0.21 5.18 -1.09 -1.20 -5.03 121.20 120.46 2gqb s ILE 79 Ca 0.00 -1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 56.85 2gqb s ILE 79 Cb 0.00 -1.25 0.18 0.00 -1.58 0.00 0.00 42.46 39.81 2gqb s ILE 79 CO 0.00 -0.30 1.68 -0.78 -1.23 0.00 0.00 174.94 174.31 2gqb h ASP 80 N 4.01 -0.16 -0.63 3.58 3.58 -1.93 -3.41 116.42 121.46 2gqb h ASP 80 Ca -0.41 0.13 -0.25 0.00 0.42 0.00 0.00 57.03 56.92 2gqb h ASP 80 Cb 1.19 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 42.36 2gqb h ASP 80 CO 0.44 -0.07 -0.23 -1.54 -2.88 0.00 0.00 179.24 174.96 2gqb n SER 81 N -5.22 -5.52 -1.93 2.28 3.41 -1.26 -4.96 113.62 100.42 2gqb n SER 81 Ca 0.09 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2gqb n SER 81 Cb 0.34 -4.22 0.00 0.00 -0.26 0.00 0.00 64.21 60.07 2gqb n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gqb n SER 82 N -1.14 0.00 -0.30 4.04 7.64 -1.26 -4.76 113.62 117.84 2gqb n SER 82 Ca -0.12 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.70 2gqb n SER 82 Cb 0.60 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.87 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2gqb h LEU 83 N 0.00 1.11 0.00 -3.43 7.12 -1.98 -2.35 115.31 115.78 2gqb h LEU 83 Ca 0.00 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.88 2gqb h LEU 83 Cb 0.00 -0.29 -0.04 0.00 -0.53 0.00 0.00 40.66 39.80 2gqb h LEU 83 CO 0.00 0.97 -0.21 0.77 -0.13 0.00 0.00 178.44 179.83 2gqb h SER 84 N 1.19 -0.62 -0.34 1.25 4.64 -1.98 -0.34 113.55 117.35 2gqb h SER 84 Ca 0.28 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.65 2gqb h SER 84 Cb 0.18 0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2gqb h SER 84 CO -0.03 -0.28 0.08 0.00 -0.87 0.00 0.00 176.83 175.73 2gqb h ALA 85 N 0.54 0.45 0.00 5.18 0.00 -1.88 -2.59 119.26 120.96 2gqb h ALA 85 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2gqb h ALA 85 Cb 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gqb h ALA 85 CO -0.19 0.12 -0.12 0.00 0.00 0.00 0.00 179.25 179.05 2gqb h ARG 86 N 0.39 0.00 -0.03 0.00 3.08 -1.26 -1.56 114.38 115.00 2gqb h ARG 86 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 2gqb h ARG 86 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2gqb h ARG 86 CO 0.00 0.12 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.63 2gqb h LYS 87 N 0.00 0.18 -0.16 0.04 1.63 -0.69 -3.02 116.57 114.55 2gqb h LYS 87 Ca -0.00 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.52 2gqb h LYS 87 Cb 0.39 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2gqb h LYS 87 CO 0.02 0.81 -0.41 1.05 -3.45 0.00 0.00 179.45 177.47 2gqb h GLU 88 N -0.40 0.56 -0.87 1.90 4.11 -1.20 -2.89 114.58 115.79 2gqb h GLU 88 Ca -0.01 -0.39 0.08 0.00 0.07 0.00 0.00 59.36 59.11 2gqb h GLU 88 Cb 0.85 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 2gqb h GLU 88 CO 0.04 1.01 0.53 1.25 0.07 0.00 0.00 179.01 181.90 2gqb h LEU 89 N 0.20 0.79 -0.45 3.06 5.85 -1.41 -0.97 115.31 122.38 2gqb h LEU 89 Ca -0.01 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2gqb h LEU 89 Cb 1.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2gqb h LEU 89 CO 0.09 0.47 -0.06 0.00 -0.34 0.00 0.00 178.44 178.60 2gqb h ALA 90 N 1.45 0.61 0.00 1.25 0.00 -1.52 -3.04 119.26 118.01 2gqb h ALA 90 Ca 0.40 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2gqb h ALA 90 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2gqb h ALA 90 CO -0.22 0.46 -0.54 1.57 0.00 0.00 0.00 179.25 180.52 2gqb h LYS 91 N 0.67 0.00 0.00 0.00 2.10 -1.16 0.26 116.57 118.44 2gqb h LYS 91 Ca 0.12 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.71 2gqb h LYS 91 Cb 0.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2gqb h LYS 91 CO 0.04 0.54 -0.30 0.93 -2.00 0.00 0.00 179.45 178.66 2gqb h GLU 92 N 0.00 0.00 -0.00 0.07 4.39 -1.12 -2.26 114.58 115.65 2gqb h GLU 92 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2gqb h GLU 92 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2gqb h GLU 92 CO 0.07 0.30 -0.52 1.28 -1.16 0.00 0.00 179.01 178.98 2gqb n LEU 93 N -4.16 0.70 0.00 1.33 4.77 -0.93 -4.94 117.00 113.77 2gqb n LEU 93 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2gqb n LEU 93 Cb 0.35 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2gqb n LEU 93 CO 0.38 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2gqb n GLY 94 N 1.47 1.75 2.41 -0.72 0.00 -0.77 -4.97 105.19 104.36 2gqb n GLY 94 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.42 -3.90 1.61 4.19 0.84 -4.83 117.16 111.64 2gqb n TYR 95 Ca 0.00 1.80 -0.12 0.00 3.31 0.00 0.00 57.90 62.90 2gqb n TYR 95 Cb 0.00 -3.47 -0.13 0.00 0.49 0.00 0.00 39.34 36.23 2gqb n TYR 95 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2gqb s SER 96 N -0.86 0.07 0.00 2.98 0.01 -1.26 -5.00 113.70 109.64 2gqb s SER 96 Ca -0.13 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2gqb s SER 96 Cb 0.01 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2gqb s SER 96 CO 0.63 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2gqb n GLY 97 N 2.79 4.05 0.81 3.44 0.00 -1.26 -5.03 105.19 109.99 2gqb n GLY 97 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -1.39 1.61 2.03 -1.26 -4.97 116.55 112.58 2gqb n ASP 98 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2gqb n ASP 98 Cb 0.00 0.20 0.32 0.00 -0.72 0.00 0.00 41.12 40.93 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2gqb n MET 99 N -1.60 2.95 0.00 -0.67 0.00 -1.26 -4.20 117.12 112.33 2gqb n MET 99 Ca 0.00 -2.62 0.12 0.00 0.00 0.00 0.00 57.70 55.20 2gqb n MET 99 Cb 0.00 -1.65 0.28 0.00 0.00 0.00 0.00 33.22 31.85 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 1.44 1.13 0.00 3.17 6.94 -1.26 -5.04 115.26 121.63 2gqb n ASN 100 Ca 0.24 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.88 2gqb n ASN 100 Cb 0.68 0.24 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 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 -0.67 -0.98 0.19 0.53 2.03 -1.26 -2.44 116.55 113.95 2gqb n ASP 101 Ca 0.11 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.52 2gqb n ASP 101 Cb 0.37 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.89 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 3.24 0.00 0.16 1.67 0.02 -1.97 -3.22 113.55 113.45 2gqb h SER 102 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2gqb h SER 102 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gqb h SER 102 CO 0.00 0.09 -0.10 0.00 -1.14 0.00 0.00 176.83 175.68 2gqb h ALA 103 N 1.91 -0.97 0.00 3.77 0.00 -1.99 -2.55 119.26 119.43 2gqb h ALA 103 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gqb h ALA 103 Cb 1.07 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gqb h ALA 103 CO 0.01 -0.96 0.00 0.77 0.00 0.00 0.00 179.25 179.07 2gqb h SER 104 N -0.25 0.00 -0.20 0.00 0.02 -1.66 -3.23 113.55 108.24 2gqb h SER 104 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2gqb h SER 104 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2gqb h SER 104 CO 0.02 0.00 0.02 -0.03 -1.14 0.00 0.00 176.83 175.70 2gqb h MET 105 N 0.00 0.33 -0.14 3.45 -1.53 -1.54 0.10 114.93 115.61 2gqb h MET 105 Ca 0.00 -0.09 -0.05 0.00 -3.44 0.00 0.00 59.70 56.12 2gqb h MET 105 Cb 0.63 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.63 2gqb h MET 105 CO 0.00 0.50 -0.13 -0.97 0.14 0.00 0.00 176.91 176.45 2gqb h ASN 106 N 0.11 0.21 -0.12 1.39 -1.24 -1.47 -2.56 115.58 111.90 2gqb h ASN 106 Ca 0.06 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 2gqb h ASN 106 Cb 0.34 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.33 2gqb h ASN 106 CO 0.01 0.37 -0.26 0.40 -1.29 0.00 0.00 177.43 176.65 2gqb h ILE 107 N 0.21 1.38 0.28 2.57 2.04 -1.52 -1.84 117.51 120.64 2gqb h ILE 107 Ca 0.04 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 2gqb h ILE 107 Cb 0.37 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2gqb h ILE 107 CO 0.02 0.45 -0.14 -0.25 0.00 0.00 0.00 178.15 178.24 2gqb h TRP 108 N -0.04 -0.35 -0.39 1.37 7.01 -0.84 -2.29 115.95 120.42 2gqb h TRP 108 Ca 0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2gqb h TRP 108 Cb 0.86 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 2gqb h TRP 108 CO 0.11 -0.20 0.10 1.25 -2.79 0.00 0.00 178.44 176.90 2gqb h LEU 109 N -0.41 0.52 -0.68 0.65 5.85 -1.55 -2.21 115.31 117.49 2gqb h LEU 109 Ca -0.04 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2gqb h LEU 109 Cb 0.31 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2gqb h LEU 109 CO 0.06 0.53 0.39 -0.74 -0.34 0.00 0.00 178.44 178.34 2gqb h HIS 110 N 0.56 0.72 0.08 1.25 2.76 -0.99 -1.61 115.15 117.91 2gqb h HIS 110 Ca 0.13 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2gqb h HIS 110 Cb 0.21 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2gqb h HIS 110 CO 0.01 0.37 -0.04 0.87 -1.30 0.00 0.00 177.93 177.84 2gqb h LYS 111 N 0.74 -0.10 -0.16 5.26 1.57 -0.91 -2.96 116.57 120.01 2gqb h LYS 111 Ca 0.29 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2gqb h LYS 111 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2gqb h LYS 111 CO -0.16 0.36 0.01 1.96 -0.57 0.00 0.00 179.45 181.05 2gqb h GLN 112 N -0.60 0.07 -0.48 3.15 1.08 -1.21 -0.15 115.11 116.97 2gqb h GLN 112 Ca -0.01 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2gqb h GLN 112 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2gqb h GLN 112 CO 0.02 0.04 0.27 0.28 -0.95 0.00 0.00 178.83 178.49 2gqb h VAL 113 N 0.07 1.17 -0.32 -0.54 2.07 -1.43 -2.91 116.25 114.36 2gqb h VAL 113 Ca 0.07 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2gqb h VAL 113 Cb 0.08 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2gqb h VAL 113 CO -0.11 0.18 -0.08 -0.03 0.02 0.00 0.00 177.57 177.55 2gqb h MET 114 N 0.64 0.52 0.00 1.57 1.85 -1.23 -1.10 114.93 117.19 2gqb h MET 114 Ca 0.17 -0.14 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 2gqb h MET 114 Cb 0.05 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 2gqb h MET 114 CO -0.03 0.61 -0.11 1.03 -0.40 0.00 0.00 176.91 178.01 2gqb h SER 115 N 0.49 0.00 0.50 1.39 0.87 -0.86 -0.53 113.55 115.40 2gqb h SER 115 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2gqb h SER 115 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2gqb h SER 115 CO 0.02 0.11 -0.50 0.29 -0.53 0.00 0.00 176.83 176.22 2gqb n LYS 116 N -3.28 0.01 0.00 2.24 4.76 -0.47 -4.09 118.16 117.33 2gqb n LYS 116 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2gqb n LYS 116 Cb 0.34 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.51 -4.73 117.00 118.07 2gqb n LEU 117 Ca 0.06 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.10 2gqb n LEU 117 Cb 0.34 -0.34 0.48 0.00 0.53 0.00 0.00 43.42 44.42 2gqb n LEU 117 CO 0.35 -0.38 0.91 -0.37 -1.11 0.00 0.00 177.39 176.78 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.40 -2.79 116.25 112.51 2gqb h VAL 118 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2gqb h VAL 118 Cb 0.00 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2gqb h VAL 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2gqb h ALA 119 N 2.14 1.00 -0.00 5.19 0.00 -1.71 0.08 119.26 125.96 2gqb h ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gqb h ALA 119 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gqb h ALA 119 CO 0.00 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.33 2gqb n ASN 120 N -2.36 0.01 0.00 0.00 3.02 -1.05 -4.81 115.26 110.07 2gqb n ASN 120 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2gqb n ASN 120 Cb 0.15 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gqb n GLY 121 N 1.42 1.31 3.78 7.41 0.00 -0.44 -5.05 105.19 113.63 2gqb n GLY 121 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.49 2.85 -0.17 -0.02 0.00 -0.11 -2.13 107.32 106.25 2gqb s GLY 122 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.91 2gqb s GLY 122 CO 0.00 0.81 0.36 1.25 0.00 0.00 0.00 173.10 175.52 2gqb s LYS 123 N -1.40 4.24 0.03 2.90 2.20 0.32 -4.75 119.74 123.26 2gqb s LYS 123 Ca 0.39 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 2gqb s LYS 123 Cb -0.21 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2gqb s LYS 123 CO 0.25 0.12 -0.08 -0.48 -0.36 0.00 0.00 175.35 174.79 2gqb s LEU 124 N 0.82 2.16 0.56 5.43 -0.00 -1.26 -1.42 118.68 124.97 2gqb s LEU 124 Ca 0.19 -0.39 -0.21 0.00 -0.00 0.00 0.00 54.13 53.73 2gqb s LEU 124 Cb -0.14 -0.30 -0.04 0.00 -0.00 0.00 0.00 46.19 45.71 2gqb s LEU 124 CO 0.06 -0.07 1.30 -2.84 -0.00 0.00 0.00 176.35 174.81 2gqb s PRO 125 N -1.02 3.08 0.00 1.48 0.02 -1.26 -4.84 135.00 132.46 2gqb s PRO 125 Ca -0.04 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2gqb s PRO 125 Cb -0.07 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2gqb s PRO 125 CO 0.00 -1.19 0.39 -2.30 -0.33 0.00 0.00 177.00 173.57 2gqb n PRO 126 N -1.20 0.31 -0.05 5.54 -0.02 -1.26 -2.54 135.00 135.78 2gqb n PRO 126 Ca 0.11 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 2gqb n PRO 126 Cb 0.47 -1.35 -0.16 0.00 -0.02 0.00 0.00 33.50 32.44 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gqb n GLU 127 N 1.13 0.71 -3.61 -0.52 1.02 -1.26 -4.88 120.64 113.22 2gqb n GLU 127 Ca 0.00 -0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.64 2gqb n GLU 127 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gqb s ILE 128 N -3.03 4.89 0.00 -3.67 1.09 -1.05 -4.75 121.20 114.68 2gqb s ILE 128 Ca -0.09 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.17 2gqb s ILE 128 Cb 0.10 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 38.02 2gqb s ILE 128 CO 0.85 0.06 0.00 1.17 -0.10 0.00 0.00 174.94 176.92 2gqb n LYS 129 N 5.03 0.00 0.00 2.79 3.00 -1.26 -5.00 118.16 122.72 2gqb n LYS 129 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2gqb n LYS 129 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.44 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98