#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 6.30 0.43 6.12 0.01 -1.26 -4.50 113.70 120.80 2gqb s SER 2 Ca 0.00 -2.63 0.14 0.00 1.31 0.00 0.00 55.95 54.77 2gqb s SER 2 Cb 0.00 -2.11 0.92 0.00 0.21 0.00 0.00 66.02 65.04 2gqb s SER 2 CO 0.00 -0.55 1.94 0.40 0.41 0.00 0.00 173.24 175.44 2gqb h ILE 3 N 5.05 1.17 0.00 1.44 2.04 -1.92 0.17 117.51 125.46 2gqb h ILE 3 Ca 0.03 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2gqb h ILE 3 Cb 1.03 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2gqb h ILE 3 CO 0.77 0.23 -0.04 2.19 0.00 0.00 0.00 178.15 181.30 2gqb h PHE 4 N 0.00 0.00 -0.01 1.37 -5.15 -1.94 0.25 116.94 111.46 2gqb h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2gqb h PHE 4 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.59 2gqb h PHE 4 CO 0.00 0.04 -0.57 0.41 -2.00 0.00 0.00 178.31 176.19 2gqb n GLY 5 N -0.88 -0.73 0.10 6.09 0.00 0.01 -3.86 105.19 105.92 2gqb n GLY 5 Ca -0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2gqb n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gqb n LYS 6 N -0.95 0.67 0.10 1.61 5.02 -0.02 -4.13 118.16 120.45 2gqb n LYS 6 Ca 0.08 0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 56.61 2gqb n LYS 6 Cb 0.37 -1.77 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 2gqb n LYS 6 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2gqb h ILE 7 N 0.02 1.59 0.00 -0.18 3.07 -1.46 -3.21 117.51 117.34 2gqb h ILE 7 Ca -0.33 -2.81 0.00 0.00 1.55 0.00 0.00 64.86 63.27 2gqb h ILE 7 Cb 2.02 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 41.09 2gqb h ILE 7 CO 0.08 0.80 0.00 1.15 -1.05 0.00 0.00 178.15 179.13 2gqb n MET 8 N -3.57 0.21 0.24 0.16 0.00 -1.25 -2.73 117.12 110.18 2gqb n MET 8 Ca -0.01 0.40 0.08 0.00 0.00 0.00 0.00 57.70 58.18 2gqb n MET 8 Cb 0.79 -1.88 0.59 0.00 0.00 0.00 0.00 33.22 32.72 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 0.00 0.30 3.17 0.02 -1.73 0.12 113.55 115.43 2gqb h SER 9 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2gqb h SER 9 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2gqb h SER 9 CO 0.00 0.16 -1.90 0.00 -1.14 0.00 0.00 176.83 173.95 2gqb n ALA 10 N -2.43 1.93 -0.02 3.77 0.00 -1.11 -3.55 120.51 119.10 2gqb n ALA 10 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.47 2gqb n ALA 10 Cb 0.23 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 0.00 1.25 -0.35 0.00 2.04 -1.46 -3.29 117.51 115.69 2gqb h ILE 11 Ca -0.27 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 63.99 2gqb h ILE 11 Cb 1.73 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 40.01 2gqb h ILE 11 CO 0.03 0.37 0.01 0.49 0.00 0.00 0.00 178.15 179.05 2gqb n PHE 12 N -4.77 1.27 -0.40 1.37 3.01 0.36 -3.94 117.46 114.36 2gqb n PHE 12 Ca -0.08 -0.45 0.07 0.00 1.01 0.00 0.00 57.45 58.00 2gqb n PHE 12 Cb 0.32 -0.36 0.22 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.36 2.96 3.87 1.37 0.00 -1.23 -4.99 105.19 107.53 2gqb n GLY 13 Ca 0.17 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.15 6.28 0.00 1.61 -1.08 -1.25 -4.86 116.67 116.22 2gqb s ASP 14 Ca 0.33 1.34 0.00 0.00 -0.52 0.00 0.00 52.55 53.71 2gqb s ASP 14 Cb 0.20 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 2gqb s ASP 14 CO 0.18 -0.78 0.00 -0.24 0.52 0.00 0.00 175.17 174.85 2gqb n SER 15 N -2.52 0.00 -0.90 -0.34 2.88 -1.26 -4.94 113.62 106.54 2gqb n SER 15 Ca 0.05 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.57 2gqb n SER 15 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqb n ALA 16 N -0.53 2.82 -0.08 -1.46 0.00 -1.26 -4.91 120.51 115.09 2gqb n ALA 16 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 2gqb n ALA 16 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 0.09 0.88 -0.01 0.00 0.00 -1.26 -4.95 120.51 115.27 2gqb n ALA 17 Ca -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 2gqb n ALA 17 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 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 -4.25 2.29 -2.84 0.00 0.00 -1.26 -5.11 120.51 109.33 2gqb n ALA 18 Ca -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2gqb n ALA 18 Cb 0.46 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gqb n SER 19 N -3.77 -4.59 -4.67 0.00 3.41 -1.26 -4.85 113.62 97.88 2gqb n SER 19 Ca -0.07 1.13 -0.45 0.00 -0.26 0.00 0.00 58.87 59.22 2gqb n SER 19 Cb 0.24 -3.69 -0.03 0.00 -0.26 0.00 0.00 64.21 60.48 2gqb n SER 19 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2gqb n PRO 20 N 1.76 2.09 0.00 4.33 -0.04 -1.26 -4.86 135.00 137.02 2gqb n PRO 20 Ca -0.18 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2gqb n PRO 20 Cb 0.34 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2gqb n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gqb n GLY 21 N 2.38 0.78 3.55 0.55 0.00 -1.26 -5.13 105.19 106.06 2gqb n GLY 21 Ca 0.12 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2gqb n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 22 N 0.00 -0.49 -0.64 -0.02 0.00 -1.26 -5.12 107.32 99.79 2gqb s GLY 22 Ca 0.00 1.75 -0.08 0.00 0.00 0.00 0.00 44.72 46.40 2gqb s GLY 22 CO 0.00 1.49 0.50 0.00 0.00 0.00 0.00 173.10 175.09 2gqb s ALA 23 N 0.13 3.66 -0.72 3.20 0.00 -1.26 -5.01 121.76 121.77 2gqb s ALA 23 Ca -0.02 -3.07 -0.20 0.00 0.00 0.00 0.00 51.96 48.67 2gqb s ALA 23 Cb -0.04 -2.94 0.10 0.00 0.00 0.00 0.00 23.12 20.24 2gqb s ALA 23 CO 0.02 -2.09 0.94 -0.65 0.00 0.00 0.00 175.76 173.98 2gqb s GLN 24 N 0.41 3.24 -0.02 0.00 -0.21 -1.26 -5.03 119.66 116.79 2gqb s GLN 24 Ca 0.14 -1.24 -0.16 0.00 0.02 0.00 0.00 55.36 54.12 2gqb s GLN 24 Cb -0.19 -4.43 -0.06 0.00 1.00 0.00 0.00 33.01 29.33 2gqb s GLN 24 CO -0.04 -1.73 0.44 0.00 -2.12 0.00 0.00 175.29 171.84 2gqb s ALA 25 N 3.27 3.63 1.00 6.09 0.00 -1.26 -5.09 121.76 129.41 2gqb s ALA 25 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2gqb s ALA 25 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2gqb s ALA 25 CO 0.03 0.36 0.00 -0.35 0.00 0.00 0.00 175.76 175.81 2gqb n PRO 26 N 2.21 0.44 -1.33 0.00 -0.04 -1.26 -4.50 135.00 130.52 2gqb n PRO 26 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2gqb n PRO 26 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2gqb n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gqb n ALA 27 N -3.00 -0.18 0.06 0.55 0.00 -1.26 -4.85 120.51 111.83 2gqb n ALA 27 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 2gqb n ALA 27 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 2gqb n ALA 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2gqb h THR 28 N 0.00 1.38 -2.73 0.00 1.35 -1.90 -3.44 112.91 107.57 2gqb h THR 28 Ca -0.24 -2.41 -0.52 0.00 -0.55 0.00 0.00 66.41 62.69 2gqb h THR 28 Cb 0.90 2.41 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 2gqb h THR 28 CO 0.35 0.72 -0.35 -0.89 -0.25 0.00 0.00 175.52 175.10 2gqb s THR 29 N -3.28 5.22 -1.10 6.82 2.01 -1.26 -4.99 115.64 119.05 2gqb s THR 29 Ca -0.06 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 2gqb s THR 29 Cb 0.09 -3.76 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 2gqb s THR 29 CO 0.88 -0.21 1.95 0.61 -0.69 0.00 0.00 174.62 177.16 2gqb n GLY 30 N -0.81 0.93 3.28 4.40 0.00 -1.26 -4.80 105.19 106.92 2gqb n GLY 30 Ca -0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 31 N 11.35 -1.08 -1.09 4.61 0.00 -1.26 -5.09 121.76 129.20 2gqb s ALA 31 Ca 0.69 1.54 -0.22 0.00 0.00 0.00 0.00 51.96 53.97 2gqb s ALA 31 Cb 0.01 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.15 2gqb s ALA 31 CO 0.15 -0.36 1.61 0.00 0.00 0.00 0.00 175.76 177.15 2gqb s ALA 32 N 1.65 2.72 -0.28 0.00 0.00 -1.26 -4.42 121.76 120.17 2gqb s ALA 32 Ca -0.08 -2.36 0.21 0.00 0.00 0.00 0.00 51.96 49.74 2gqb s ALA 32 Cb -0.09 -4.57 0.49 0.00 0.00 0.00 0.00 23.12 18.95 2gqb s ALA 32 CO -0.13 -3.75 1.14 0.41 0.00 0.00 0.00 175.76 173.44 2gqb n GLY 33 N 6.42 1.77 2.38 0.00 0.00 -1.26 -4.97 105.19 109.53 2gqb n GLY 33 Ca 0.39 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 2gqb n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gqb n THR 34 N -0.65 4.67 -4.51 2.61 -1.04 -1.26 -4.75 114.28 109.35 2gqb n THR 34 Ca 0.04 -3.28 -0.34 0.00 -2.04 0.00 0.00 64.05 58.43 2gqb n THR 34 Cb 0.81 -2.37 -0.11 0.00 -1.82 0.00 0.00 70.33 66.84 2gqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqb s ALA 35 N 0.74 3.07 -0.75 2.41 0.00 -1.26 -5.04 121.76 120.92 2gqb s ALA 35 Ca 0.63 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 2gqb s ALA 35 Cb 0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 2gqb s ALA 35 CO -0.08 0.51 2.02 -2.14 0.00 0.00 0.00 175.76 176.07 2gqb s PRO 36 N -0.59 2.41 0.00 0.00 0.02 -1.26 -4.73 135.00 130.85 2gqb s PRO 36 Ca 0.09 0.26 0.25 0.00 0.02 0.00 0.00 61.00 61.63 2gqb s PRO 36 Cb -0.12 -4.76 0.45 0.00 0.02 0.00 0.00 34.50 30.09 2gqb s PRO 36 CO 0.02 -3.30 1.41 -2.37 -0.33 0.00 0.00 177.00 172.43 2gqb n THR 37 N 7.79 0.02 -4.78 0.99 5.66 -1.26 -4.90 114.28 117.80 2gqb n THR 37 Ca 0.34 -0.44 -0.33 0.00 -3.05 0.00 0.00 64.05 60.58 2gqb n THR 37 Cb 0.49 1.18 -0.12 0.00 -1.55 0.00 0.00 70.33 70.33 2gqb n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gqb s ALA 38 N -1.98 2.76 0.79 1.79 0.00 -1.26 -5.13 121.76 118.74 2gqb s ALA 38 Ca 0.31 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 2gqb s ALA 38 Cb 0.20 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.37 2gqb s ALA 38 CO 0.31 0.57 1.11 -1.25 0.00 0.00 0.00 175.76 176.49 2gqb s PRO 39 N -0.86 2.12 0.17 0.00 0.04 -1.26 -5.05 135.00 130.16 2gqb s PRO 39 Ca 0.12 0.54 -0.23 0.00 0.04 0.00 0.00 61.00 61.47 2gqb s PRO 39 Cb -0.11 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2gqb s PRO 39 CO 0.02 -1.57 0.74 -0.65 0.04 0.00 0.00 177.00 175.58 2gqb s GLN 40 N -5.23 4.44 -0.32 4.56 -1.52 -1.26 -4.98 119.66 115.35 2gqb s GLN 40 Ca 0.61 1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 54.75 2gqb s GLN 40 Cb -0.14 -3.14 -0.08 0.00 -0.22 0.00 0.00 33.01 29.43 2gqb s GLN 40 CO 0.53 0.52 2.25 -2.30 -0.25 0.00 0.00 175.29 176.05 2gqb n PRO 41 N 1.34 1.50 -3.28 2.91 -0.02 -1.26 -4.93 135.00 131.27 2gqb n PRO 41 Ca -0.05 0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 2gqb n PRO 41 Cb 0.50 -2.98 -0.06 0.00 -0.02 0.00 0.00 33.50 30.94 2gqb n PRO 41 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gqb s THR 42 N 8.57 5.15 0.13 3.45 2.01 -1.26 -4.94 115.64 128.76 2gqb s THR 42 Ca 1.04 0.97 0.00 0.00 0.31 0.00 0.00 61.69 64.02 2gqb s THR 42 Cb -0.50 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2gqb s THR 42 CO 0.39 0.27 0.00 0.00 -0.69 0.00 0.00 174.62 174.59 2gqb n ALA 43 N 4.07 -1.46 -3.18 7.40 0.00 -1.26 -4.87 120.51 121.22 2gqb n ALA 43 Ca -0.06 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2gqb n ALA 43 Cb 0.51 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2gqb n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 44 N -1.76 -0.94 -0.64 0.00 0.00 -1.26 -4.99 121.76 112.18 2gqb s ALA 44 Ca 0.00 -0.85 0.24 0.00 0.00 0.00 0.00 51.96 51.35 2gqb s ALA 44 Cb 0.00 -2.29 0.91 0.00 0.00 0.00 0.00 23.12 21.74 2gqb s ALA 44 CO 0.00 -2.16 1.73 -0.35 0.00 0.00 0.00 175.76 174.99 2gqb n PRO 45 N 3.70 0.20 -3.78 0.00 -0.04 -1.26 -4.77 135.00 129.05 2gqb n PRO 45 Ca 0.16 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2gqb n PRO 45 Cb 0.51 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 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 -4.21 -0.18 -0.40 3.54 0.15 -1.26 -5.11 113.70 106.23 2gqb s SER 46 Ca 0.07 0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 2gqb s SER 46 Cb 0.11 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.87 2gqb s SER 46 CO 0.47 -0.33 0.21 -0.63 1.20 0.00 0.00 173.24 174.16 2gqb s ILE 47 N -0.89 3.93 -0.58 6.45 -1.09 -0.72 -5.01 121.20 123.28 2gqb s ILE 47 Ca -0.10 -1.46 -0.25 0.00 -2.23 0.00 0.00 60.65 56.62 2gqb s ILE 47 Cb -0.05 -3.41 0.04 0.00 -1.58 0.00 0.00 42.46 37.47 2gqb s ILE 47 CO 0.03 -0.46 1.00 -0.62 -1.23 0.00 0.00 174.94 173.66 2gqb s ASP 48 N 1.90 6.32 0.32 3.58 -1.08 -1.26 0.10 116.67 126.55 2gqb s ASP 48 Ca 0.03 -0.38 0.19 0.00 -0.52 0.00 0.00 52.55 51.87 2gqb s ASP 48 Cb -0.22 -2.46 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 2gqb s ASP 48 CO 0.01 -1.33 1.42 0.58 0.52 0.00 0.00 175.17 176.37 2gqb h VAL 49 N 6.03 0.43 -0.03 1.11 2.07 -1.54 -3.35 116.25 120.96 2gqb h VAL 49 Ca -0.26 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.66 2gqb h VAL 49 Cb 1.07 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 2gqb h VAL 49 CO 1.13 0.25 -0.23 0.00 0.02 0.00 0.00 177.57 178.73 2gqb h ALA 50 N 1.73 -0.28 0.00 1.67 0.00 -1.90 -0.62 119.26 119.86 2gqb h ALA 50 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2gqb h ALA 50 Cb 1.22 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2gqb h ALA 50 CO 0.03 -0.72 -0.23 -1.00 0.00 0.00 0.00 179.25 177.33 2gqb h PRO 51 N -0.35 0.00 0.37 0.00 0.13 -1.94 -3.01 132.00 127.20 2gqb h PRO 51 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2gqb h PRO 51 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2gqb h PRO 51 CO -0.23 0.23 -0.18 0.82 -0.23 0.00 0.00 178.00 178.41 2gqb h ILE 52 N 0.00 0.26 -0.09 -3.56 2.04 -1.48 -3.03 117.51 111.64 2gqb h ILE 52 Ca -0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 2gqb h ILE 52 Cb 0.76 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2gqb h ILE 52 CO 0.03 0.06 -0.08 0.25 0.00 0.00 0.00 178.15 178.41 2gqb h LEU 53 N -1.06 0.23 -0.89 1.44 5.85 -1.23 -0.87 115.31 118.79 2gqb h LEU 53 Ca -0.05 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.10 2gqb h LEU 53 Cb 0.48 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2gqb h LEU 53 CO 0.08 0.65 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.80 2gqb h ASP 54 N -0.18 0.52 1.77 1.25 3.58 -1.70 0.52 116.42 122.18 2gqb h ASP 54 Ca 0.02 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 2gqb h ASP 54 Cb 0.58 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 2gqb h ASP 54 CO 0.02 0.77 -0.23 0.11 -2.88 0.00 0.00 179.24 177.03 2gqb h LYS 55 N 0.45 0.00 0.00 0.28 6.56 -1.53 -2.74 116.57 119.60 2gqb h LYS 55 Ca 0.06 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.63 2gqb h LYS 55 Cb 0.69 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2gqb h LYS 55 CO 0.05 0.07 -0.13 0.00 -2.06 0.00 0.00 179.45 177.38 2gqb h ALA 56 N 1.92 0.93 -0.12 3.86 0.00 -0.46 -3.12 119.26 122.28 2gqb h ALA 56 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2gqb h ALA 56 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2gqb h ALA 56 CO 0.01 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.69 2gqb h VAL 57 N 0.00 1.27 0.00 0.00 2.07 -0.60 -2.06 116.25 116.92 2gqb h VAL 57 Ca -0.00 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2gqb h VAL 57 Cb 0.99 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2gqb h VAL 57 CO 0.02 0.25 -0.11 0.07 0.02 0.00 0.00 177.57 177.81 2gqb h LYS 58 N -0.07 0.00 0.00 1.57 2.10 -1.61 -0.51 116.57 118.06 2gqb h LYS 58 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2gqb h LYS 58 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2gqb h LYS 58 CO 0.01 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.57 2gqb n ALA 59 N -2.20 2.25 -0.07 0.07 0.00 -1.01 -3.65 120.51 115.90 2gqb n ALA 59 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2gqb n ALA 59 Cb 0.30 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 2gqb n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gqb h LYS 60 N 0.00 0.00 0.00 0.00 1.63 -0.40 -3.50 116.57 114.30 2gqb h LYS 60 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gqb h LYS 60 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2gqb h LYS 60 CO 0.00 0.35 0.00 0.41 -3.45 0.00 0.00 179.45 176.76 2gqb n GLY 61 N 1.64 -0.47 3.96 5.01 0.00 -1.03 -5.12 105.19 109.18 2gqb n GLY 61 Ca -0.10 0.33 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 2.83 -0.87 1.61 -1.05 -1.26 -4.89 118.70 115.07 2gqb s GLU 62 Ca 0.00 -1.25 -0.20 0.00 -0.15 0.00 0.00 54.97 53.37 2gqb s GLU 62 Cb 0.00 -2.67 0.10 0.00 -0.44 0.00 0.00 34.13 31.12 2gqb s GLU 62 CO 0.00 -0.14 1.13 0.21 0.95 0.00 0.00 175.26 177.41 2gqb s LYS 63 N -4.23 3.46 0.47 -4.83 2.36 -1.26 -4.40 119.74 111.31 2gqb s LYS 63 Ca 0.50 -1.41 -0.11 0.00 -2.55 0.00 0.00 55.97 52.40 2gqb s LYS 63 Cb -0.08 -4.78 -0.06 0.00 -1.05 0.00 0.00 37.83 31.86 2gqb s LYS 63 CO 0.31 -1.85 0.85 -0.51 1.55 0.00 0.00 175.35 175.70 2gqb s LEU 64 N 3.40 3.68 -0.55 5.43 1.43 -1.26 -5.05 118.68 125.76 2gqb s LEU 64 Ca 0.32 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2gqb s LEU 64 Cb -0.07 -4.16 0.14 0.00 0.03 0.00 0.00 46.19 42.12 2gqb s LEU 64 CO -0.04 -0.52 0.30 -1.61 0.23 0.00 0.00 176.35 174.71 2gqb s GLU 65 N -4.18 2.08 0.00 1.70 0.41 -1.26 -4.92 118.70 112.53 2gqb s GLU 65 Ca 0.53 -2.69 0.17 0.00 -0.41 0.00 0.00 54.97 52.57 2gqb s GLU 65 Cb -0.10 -3.37 0.84 0.00 -1.78 0.00 0.00 34.13 29.72 2gqb s GLU 65 CO 0.36 -1.13 1.51 -2.67 -0.49 0.00 0.00 175.26 172.84 2gqb n TRP 66 N 3.02 0.00 0.13 1.61 4.27 -1.26 -0.81 117.44 124.40 2gqb n TRP 66 Ca 0.07 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.66 2gqb n TRP 66 Cb 0.33 -0.32 0.13 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.00 0.00 -2.67 3.08 -1.99 -3.39 114.38 109.41 2gqb h ARG 67 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2gqb h ARG 67 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2gqb h ARG 67 CO 0.00 0.67 -1.14 0.25 -1.07 0.00 0.00 179.97 178.68 2gqb n THR 68 N -3.72 0.14 -3.44 2.04 -2.24 -0.97 -4.89 114.28 101.21 2gqb n THR 68 Ca -0.01 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 2gqb n THR 68 Cb 0.66 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 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 -4.51 6.18 0.18 3.42 0.01 0.01 -4.83 113.70 114.15 2gqb s SER 69 Ca -0.03 0.07 0.09 0.00 1.31 0.00 0.00 55.95 57.38 2gqb s SER 69 Cb 0.01 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 2gqb s SER 69 CO 0.05 -0.20 1.39 -0.29 0.41 0.00 0.00 173.24 174.61 2gqb h ILE 70 N 5.43 1.55 -0.17 1.44 6.09 -1.85 -3.14 117.51 126.86 2gqb h ILE 70 Ca -0.32 -2.95 -0.09 0.00 -1.37 0.00 0.00 64.86 60.13 2gqb h ILE 70 Cb 1.16 2.61 -0.01 0.00 0.47 0.00 0.00 36.82 41.05 2gqb h ILE 70 CO 0.64 0.83 -0.30 0.58 -3.07 0.00 0.00 178.15 176.82 2gqb h VAL 71 N 0.00 1.27 0.59 2.19 2.07 -1.94 -2.52 116.25 117.91 2gqb h VAL 71 Ca -0.01 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 2gqb h VAL 71 Cb 1.54 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2gqb h VAL 71 CO 0.11 0.40 -0.39 0.44 0.02 0.00 0.00 177.57 178.15 2gqb h ASP 72 N 0.30 -0.99 0.49 0.57 5.19 -1.88 -2.39 116.42 117.71 2gqb h ASP 72 Ca 0.04 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 2gqb h ASP 72 Cb 0.69 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 2gqb h ASP 72 CO 0.05 -0.59 -0.46 0.17 -3.12 0.00 0.00 179.24 175.29 2gqb h LEU 73 N -0.93 0.00 0.40 1.55 8.10 -1.61 -0.99 115.31 121.83 2gqb h LEU 73 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 2gqb h LEU 73 Cb 0.76 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2gqb h LEU 73 CO 0.05 0.46 -0.24 -0.03 -4.11 0.00 0.00 178.44 174.57 2gqb h MET 74 N 0.00 -0.59 -0.08 0.17 4.05 -1.28 -2.67 114.93 114.53 2gqb h MET 74 Ca -0.00 0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 2gqb h MET 74 Cb 0.82 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2gqb h MET 74 CO 0.06 -0.39 -0.51 1.57 0.23 0.00 0.00 176.91 177.87 2gqb h LYS 75 N -0.61 0.21 -0.72 0.39 2.10 -1.36 -2.88 116.57 113.69 2gqb h LYS 75 Ca -0.05 -0.12 0.16 0.00 -2.00 0.00 0.00 60.65 58.64 2gqb h LYS 75 Cb 0.50 0.01 -0.11 0.00 -0.90 0.00 0.00 32.23 31.73 2gqb h LYS 75 CO 0.05 0.67 0.13 0.00 -2.00 0.00 0.00 179.45 178.31 2gqb h ALA 76 N 1.31 0.89 -1.09 0.07 0.00 -0.84 -2.66 119.26 116.94 2gqb h ALA 76 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2gqb h ALA 76 Cb 0.96 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gqb h ALA 76 CO 0.08 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2gqb n LEU 77 N -5.20 0.16 -0.27 0.00 7.99 -1.09 -4.76 117.00 113.83 2gqb n LEU 77 Ca 0.14 0.74 -0.00 0.00 -0.01 0.00 0.00 56.01 56.88 2gqb n LEU 77 Cb 0.45 -0.32 -0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2gqb n LEU 77 CO 0.11 -0.32 0.01 -0.67 -1.51 0.00 0.00 177.39 175.01 2gqb n ASP 78 N -1.46 -0.01 -4.85 -1.43 2.03 -1.00 -5.08 116.55 104.76 2gqb n ASP 78 Ca 0.00 -0.03 -0.37 0.00 0.52 0.00 0.00 54.79 54.91 2gqb n ASP 78 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 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 5.03 0.39 5.18 -1.09 -1.09 -4.96 121.20 124.66 2gqb s ILE 79 Ca 0.00 0.71 0.10 0.00 -2.23 0.00 0.00 60.65 59.24 2gqb s ILE 79 Cb 0.00 -3.69 0.32 0.00 -1.58 0.00 0.00 42.46 37.51 2gqb s ILE 79 CO 0.00 0.46 1.94 -0.78 -1.23 0.00 0.00 174.94 175.32 2gqb h ASP 80 N 4.28 0.53 -0.41 3.58 3.58 -1.92 -3.36 116.42 122.71 2gqb h ASP 80 Ca -0.51 0.02 -0.17 0.00 0.42 0.00 0.00 57.03 56.79 2gqb h ASP 80 Cb 1.21 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 42.10 2gqb h ASP 80 CO 0.63 0.31 -0.16 -1.54 -2.88 0.00 0.00 179.24 175.61 2gqb n SER 81 N -4.49 -5.56 -2.97 2.28 3.41 -1.26 -4.96 113.62 100.07 2gqb n SER 81 Ca 0.12 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2gqb n SER 81 Cb 0.37 -3.81 0.08 0.00 -0.26 0.00 0.00 64.21 60.59 2gqb n SER 81 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gqb n SER 82 N -1.00 0.26 -0.30 4.04 3.41 -1.26 -4.75 113.62 114.02 2gqb n SER 82 Ca -0.09 -1.33 0.06 0.00 -0.26 0.00 0.00 58.87 57.26 2gqb n SER 82 Cb 0.54 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.31 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gqb h LEU 83 N 0.00 0.61 -1.34 1.04 7.12 -1.99 -0.12 115.31 120.63 2gqb h LEU 83 Ca -0.18 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.89 2gqb h LEU 83 Cb 0.54 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2gqb h LEU 83 CO 0.15 0.29 0.16 -1.28 -0.13 0.00 0.00 178.44 177.62 2gqb h SER 84 N 0.70 0.56 0.07 1.25 0.87 -1.99 -0.37 113.55 114.64 2gqb h SER 84 Ca 0.46 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2gqb h SER 84 Cb 0.58 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2gqb h SER 84 CO -0.33 0.51 -0.03 0.00 -0.53 0.00 0.00 176.83 176.46 2gqb h ALA 85 N 1.57 -0.09 0.00 6.23 0.00 -1.36 -2.74 119.26 122.87 2gqb h ALA 85 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2gqb h ALA 85 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2gqb h ALA 85 CO -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 179.25 178.76 2gqb h ARG 86 N -0.59 0.00 0.58 0.00 -0.00 -1.25 -1.71 114.38 111.41 2gqb h ARG 86 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2gqb h ARG 86 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.48 2gqb h ARG 86 CO 0.02 0.17 -0.28 -0.22 0.00 0.00 0.00 179.97 179.66 2gqb h LYS 87 N 0.00 -0.75 -0.41 0.04 1.63 -0.96 -1.13 116.57 114.98 2gqb h LYS 87 Ca -0.00 0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 2gqb h LYS 87 Cb 0.41 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2gqb h LYS 87 CO 0.02 -0.45 -0.19 1.05 -3.45 0.00 0.00 179.45 176.44 2gqb h GLU 88 N -0.94 0.85 -0.69 1.90 4.11 -1.37 -2.18 114.58 116.26 2gqb h GLU 88 Ca -0.08 -0.37 0.05 0.00 0.07 0.00 0.00 59.36 59.03 2gqb h GLU 88 Cb 0.65 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2gqb h GLU 88 CO 0.13 1.01 0.41 1.25 0.07 0.00 0.00 179.01 181.87 2gqb h LEU 89 N 0.67 0.63 -0.27 3.06 5.85 -1.34 -1.06 115.31 122.84 2gqb h LEU 89 Ca 0.09 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2gqb h LEU 89 Cb 0.74 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2gqb h LEU 89 CO 0.06 0.42 -0.24 0.00 -0.34 0.00 0.00 178.44 178.33 2gqb h ALA 90 N 1.33 0.40 0.00 1.25 0.00 -1.10 -3.02 119.26 118.12 2gqb h ALA 90 Ca 0.30 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2gqb h ALA 90 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2gqb h ALA 90 CO -0.15 0.38 -0.42 1.57 0.00 0.00 0.00 179.25 180.63 2gqb h LYS 91 N 0.38 0.00 0.00 0.00 2.10 -1.06 0.72 116.57 118.71 2gqb h LYS 91 Ca 0.05 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.62 2gqb h LYS 91 Cb 0.80 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 2gqb h LYS 91 CO 0.06 0.42 -0.38 0.93 -2.00 0.00 0.00 179.45 178.48 2gqb h GLU 92 N 0.00 0.00 0.00 0.07 4.39 -1.19 -3.01 114.58 114.84 2gqb h GLU 92 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2gqb h GLU 92 Cb 0.92 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2gqb h GLU 92 CO 0.05 0.38 -1.24 -0.07 -1.16 0.00 0.00 179.01 176.97 2gqb h LEU 93 N 0.00 0.00 0.00 1.33 3.38 -1.23 -3.48 115.31 115.31 2gqb h LEU 93 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gqb h LEU 93 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2gqb h LEU 93 CO 0.05 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2gqb n GLY 94 N 1.41 1.29 2.91 0.83 0.00 -0.31 -4.95 105.19 106.36 2gqb n GLY 94 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.83 1.61 9.36 0.09 -4.87 117.16 119.11 2gqb n TYR 95 Ca 0.00 1.41 0.08 0.00 3.32 0.00 0.00 57.90 62.71 2gqb n TYR 95 Cb 0.00 -3.77 0.29 0.00 -0.63 0.00 0.00 39.34 35.23 2gqb n TYR 95 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2gqb n SER 96 N -0.09 4.25 -4.18 2.98 7.64 -1.26 -4.83 113.62 118.13 2gqb n SER 96 Ca 0.08 -2.80 -0.40 0.00 1.01 0.00 0.00 58.87 56.75 2gqb n SER 96 Cb 0.41 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 2gqb n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gqb s GLY 97 N -1.46 2.38 0.00 0.23 0.00 -1.26 -4.95 107.32 102.25 2gqb s GLY 97 Ca 0.43 -3.03 0.00 0.00 0.00 0.00 0.00 44.72 42.13 2gqb s GLY 97 CO 0.13 1.13 0.00 1.34 0.00 0.00 0.00 173.10 175.70 2gqb n ASP 98 N 4.06 0.00 -1.23 1.64 2.03 -1.26 -4.81 116.55 116.97 2gqb n ASP 98 Ca 0.04 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.41 2gqb n ASP 98 Cb 0.41 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.06 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 -0.05 3.03 -0.16 -0.67 0.00 -1.26 -3.69 117.12 114.31 2gqb n MET 99 Ca 0.00 -2.01 0.10 0.00 0.00 0.00 0.00 57.70 55.79 2gqb n MET 99 Cb 0.00 -1.76 0.27 0.00 0.00 0.00 0.00 33.22 31.74 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 0.66 2.35 -0.93 3.17 6.94 -1.26 -5.05 115.26 121.14 2gqb n ASN 100 Ca 0.18 -1.88 0.07 0.00 -0.02 0.00 0.00 54.58 52.92 2gqb n ASN 100 Cb 0.70 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.89 2gqb n ASN 100 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2gqb n ASP 101 N 0.77 -5.53 0.28 0.53 8.00 -1.24 -3.20 116.55 116.15 2gqb n ASP 101 Ca 0.17 0.52 0.16 0.00 0.71 0.00 0.00 54.79 56.34 2gqb n ASP 101 Cb 0.41 -1.46 0.74 0.00 -0.02 0.00 0.00 41.12 40.79 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2gqb h SER 102 N -0.45 0.00 0.02 -2.24 0.02 -1.96 -2.83 113.55 106.12 2gqb h SER 102 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2gqb h SER 102 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2gqb h SER 102 CO 0.00 0.06 -0.03 0.00 -1.14 0.00 0.00 176.83 175.73 2gqb h ALA 103 N 1.94 -0.71 0.00 3.77 0.00 -2.01 -0.52 119.26 121.72 2gqb h ALA 103 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 103 Cb 0.43 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gqb h ALA 103 CO 0.01 -0.71 0.00 0.77 0.00 0.00 0.00 179.25 179.32 2gqb h SER 104 N -0.05 0.00 -0.15 0.00 0.02 -1.62 -3.06 113.55 108.70 2gqb h SER 104 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2gqb h SER 104 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2gqb h SER 104 CO -0.01 0.00 -0.00 -0.03 -1.14 0.00 0.00 176.83 175.65 2gqb h MET 105 N 0.00 0.27 -0.28 3.45 -1.53 -1.22 0.44 114.93 116.06 2gqb h MET 105 Ca 0.00 -0.09 -0.08 0.00 -3.44 0.00 0.00 59.70 56.09 2gqb h MET 105 Cb 0.56 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.57 2gqb h MET 105 CO 0.00 0.50 -0.16 -0.97 0.14 0.00 0.00 176.91 176.42 2gqb h ASN 106 N 0.01 0.48 0.48 1.39 -1.24 -1.00 -2.34 115.58 113.35 2gqb h ASN 106 Ca 0.04 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 2gqb h ASN 106 Cb 0.38 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2gqb h ASN 106 CO 0.01 0.67 -0.23 0.40 -1.29 0.00 0.00 177.43 176.98 2gqb h ILE 107 N 0.45 0.36 -0.55 2.57 2.04 -1.41 -2.13 117.51 118.83 2gqb h ILE 107 Ca 0.08 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2gqb h ILE 107 Cb 0.54 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2gqb h ILE 107 CO 0.04 0.06 0.34 -0.25 0.00 0.00 0.00 178.15 178.34 2gqb h TRP 108 N -0.99 0.64 -0.15 1.37 7.01 -0.93 -2.38 115.95 120.51 2gqb h TRP 108 Ca -0.07 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.85 2gqb h TRP 108 Cb 0.59 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2gqb h TRP 108 CO 0.01 0.38 -0.36 1.25 -2.79 0.00 0.00 178.44 176.93 2gqb h LEU 109 N 0.68 0.33 -0.99 0.65 6.46 -1.50 -2.31 115.31 118.64 2gqb h LEU 109 Ca 0.22 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2gqb h LEU 109 Cb -0.01 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2gqb h LEU 109 CO -0.08 0.67 -0.01 -0.74 -0.62 0.00 0.00 178.44 177.66 2gqb h HIS 110 N 0.27 0.76 0.15 1.25 2.76 -0.90 -1.15 115.15 118.30 2gqb h HIS 110 Ca 0.03 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2gqb h HIS 110 Cb 0.77 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2gqb h HIS 110 CO 0.02 0.72 -0.07 0.87 -1.30 0.00 0.00 177.93 178.16 2gqb h LYS 111 N 0.67 -0.20 -0.40 5.26 1.79 -0.97 -2.79 116.57 119.94 2gqb h LYS 111 Ca 0.13 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 2gqb h LYS 111 Cb 0.43 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2gqb h LYS 111 CO 0.02 0.01 -0.12 0.37 -1.08 0.00 0.00 179.45 178.65 2gqb h GLN 112 N -0.38 0.79 -0.48 3.15 5.75 -1.23 -2.42 115.11 120.29 2gqb h GLN 112 Ca -0.02 -0.31 -0.04 0.00 -0.15 0.00 0.00 58.65 58.12 2gqb h GLN 112 Cb 0.30 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 2gqb h GLN 112 CO 0.03 0.93 0.12 0.28 -2.65 0.00 0.00 178.83 177.55 2gqb h VAL 113 N 0.60 1.21 -0.16 2.39 2.07 -1.29 -1.96 116.25 119.11 2gqb h VAL 113 Ca 0.10 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 2gqb h VAL 113 Cb 0.65 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2gqb h VAL 113 CO 0.04 0.27 -0.26 0.24 0.02 0.00 0.00 177.57 177.89 2gqb h MET 114 N 0.71 0.30 0.00 1.57 2.86 -1.19 -1.09 114.93 118.09 2gqb h MET 114 Ca 0.16 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2gqb h MET 114 Cb 0.25 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2gqb h MET 114 CO -0.00 0.54 -0.14 1.03 1.06 0.00 0.00 176.91 179.40 2gqb h SER 115 N 0.27 0.00 0.35 1.22 0.87 -0.88 0.07 113.55 115.44 2gqb h SER 115 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2gqb h SER 115 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2gqb h SER 115 CO 0.04 0.14 -0.45 0.29 -0.53 0.00 0.00 176.83 176.32 2gqb n LYS 116 N -3.40 0.34 0.00 2.24 4.76 -0.49 -4.14 118.16 117.46 2gqb n LYS 116 Ca -0.01 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2gqb n LYS 116 Cb 0.33 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2gqb n LYS 116 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2gqb n LEU 117 N -1.15 0.00 0.17 -0.35 4.77 -0.60 -4.75 117.00 115.09 2gqb n LEU 117 Ca 0.08 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2gqb n LEU 117 Cb 0.34 -0.21 0.58 0.00 -2.33 0.00 0.00 43.42 41.80 2gqb n LEU 117 CO 0.32 -0.33 0.89 -0.37 -1.33 0.00 0.00 177.39 176.57 2gqb h VAL 118 N 0.00 0.00 0.00 4.08 -1.51 -1.28 -0.69 116.25 116.84 2gqb h VAL 118 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2gqb h VAL 118 Cb 0.00 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 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 -1.84 1.74 -0.02 5.19 0.00 -1.26 -1.44 120.51 122.89 2gqb n ALA 119 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2gqb n ALA 119 Cb 0.19 -1.26 0.25 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.48 3.63 0.00 0.00 3.02 -0.27 -4.81 115.26 115.35 2gqb n ASN 120 Ca 0.04 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 2gqb n ASN 120 Cb 0.18 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.71 1.11 3.68 7.41 0.00 -0.97 -4.96 105.19 112.17 2gqb n GLY 121 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 2.24 -0.03 -0.02 0.00 -0.52 -1.75 107.32 105.23 2gqb s GLY 122 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.49 2gqb s GLY 122 CO 0.00 1.44 0.62 1.25 0.00 0.00 0.00 173.10 176.41 2gqb s LYS 123 N 1.70 4.37 0.21 2.90 2.36 0.28 -4.71 119.74 126.86 2gqb s LYS 123 Ca 0.36 0.77 0.07 0.00 -2.55 0.00 0.00 55.97 54.61 2gqb s LYS 123 Cb -0.17 -3.39 -0.05 0.00 -1.05 0.00 0.00 37.83 33.18 2gqb s LYS 123 CO 0.14 0.24 -0.11 -0.48 1.55 0.00 0.00 175.35 176.69 2gqb s LEU 124 N 0.23 2.50 0.92 5.43 -0.00 -1.26 -1.30 118.68 125.20 2gqb s LEU 124 Ca 0.33 -1.07 -0.12 0.00 -0.00 0.00 0.00 54.13 53.27 2gqb s LEU 124 Cb -0.18 -0.58 0.14 0.00 -0.00 0.00 0.00 46.19 45.57 2gqb s LEU 124 CO 0.17 -0.26 1.10 -2.84 -0.00 0.00 0.00 176.35 174.52 2gqb s PRO 125 N -3.70 1.09 0.00 1.48 0.02 -1.26 -4.89 135.00 127.75 2gqb s PRO 125 Ca 0.24 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.86 2gqb s PRO 125 Cb 0.01 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2gqb s PRO 125 CO 0.07 -2.30 0.38 -2.30 -0.33 0.00 0.00 177.00 172.53 2gqb n PRO 126 N -3.89 0.48 -0.07 5.54 -0.02 -1.26 -2.97 135.00 132.81 2gqb n PRO 126 Ca 0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.39 2gqb n PRO 126 Cb 0.57 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.56 0.68 -3.69 -0.52 -0.58 -1.26 -4.87 120.64 110.96 2gqb n GLU 127 Ca 0.00 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.61 2gqb n GLU 127 Cb 0.19 -1.62 -0.15 0.00 -0.57 0.00 0.00 31.44 29.29 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2gqb s ILE 128 N -2.54 0.66 -0.29 -3.67 1.09 -1.16 -5.06 121.20 110.23 2gqb s ILE 128 Ca -0.20 -1.20 -0.16 0.00 -1.10 0.00 0.00 60.65 58.00 2gqb s ILE 128 Cb 0.07 -1.47 0.14 0.00 -1.06 0.00 0.00 42.46 40.14 2gqb s ILE 128 CO 0.74 -0.65 0.91 -0.75 -0.10 0.00 0.00 174.94 175.10 2gqb s LYS 129 N 1.73 0.43 0.00 2.79 2.20 -1.26 -4.85 119.74 120.78 2gqb s LYS 129 Ca 0.09 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2gqb s LYS 129 Cb -0.17 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 2gqb s LYS 129 CO -0.26 -0.10 0.00 1.58 -0.36 0.00 0.00 175.35 176.21