#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 -0.68 0.28 6.12 0.01 -1.26 -4.94 113.70 113.22 2gqb s SER 2 Ca 0.00 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.74 2gqb s SER 2 Cb 0.00 0.88 0.60 0.00 0.21 0.00 0.00 66.02 67.71 2gqb s SER 2 CO 0.00 -0.05 1.77 0.40 0.41 0.00 0.00 173.24 175.77 2gqb h ILE 3 N 3.68 0.73 0.00 1.44 2.04 -1.92 -0.19 117.51 123.29 2gqb h ILE 3 Ca 0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2gqb h ILE 3 Cb 1.19 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2gqb h ILE 3 CO -0.04 0.13 -0.01 2.19 0.00 0.00 0.00 178.15 180.42 2gqb h PHE 4 N 0.70 0.00 0.00 1.37 -5.15 -1.96 0.51 116.94 112.40 2gqb h PHE 4 Ca 0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.27 2gqb h PHE 4 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.90 2gqb h PHE 4 CO -0.06 0.01 -0.45 0.41 -2.00 0.00 0.00 178.31 176.21 2gqb n GLY 5 N -1.49 -1.44 0.10 6.09 0.00 -0.12 -3.36 105.19 104.97 2gqb n GLY 5 Ca -0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 2gqb n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gqb h LYS 6 N 0.00 0.03 -0.47 1.61 1.57 -0.60 -3.35 116.57 115.36 2gqb h LYS 6 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2gqb h LYS 6 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2gqb h LYS 6 CO 0.00 1.03 0.06 -0.84 -0.57 0.00 0.00 179.45 179.12 2gqb h ILE 7 N -0.90 1.22 0.00 1.86 3.07 -1.29 -2.05 117.51 119.43 2gqb h ILE 7 Ca -0.25 -0.86 -0.02 0.00 1.55 0.00 0.00 64.86 65.27 2gqb h ILE 7 Cb 1.29 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2gqb h ILE 7 CO -0.12 0.31 -0.11 0.00 -1.05 0.00 0.00 178.15 177.18 2gqb h MET 8 N 0.71 0.00 0.00 0.16 -0.00 -1.73 -1.66 114.93 112.41 2gqb h MET 8 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 2gqb h MET 8 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 2gqb h MET 8 CO 0.01 0.11 0.00 0.43 -0.00 0.00 0.00 176.91 177.46 2gqb n SER 9 N -3.96 0.65 -0.00 -0.10 7.64 -0.77 -0.11 113.62 116.97 2gqb n SER 9 Ca -0.02 0.60 0.10 0.00 1.01 0.00 0.00 58.87 60.56 2gqb n SER 9 Cb 0.20 -0.76 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 2gqb n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gqb n ALA 10 N -1.74 4.56 -0.11 -0.43 0.00 -0.64 -3.77 120.51 118.38 2gqb n ALA 10 Ca 0.04 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.69 2gqb n ALA 10 Cb 0.33 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.54 1.36 1.79 0.00 5.41 -0.91 -4.14 119.36 121.33 2gqb n ILE 11 Ca 0.03 -0.20 0.10 0.00 1.00 0.00 0.00 62.75 63.68 2gqb n ILE 11 Cb 0.34 -1.94 0.53 0.00 -0.71 0.00 0.00 39.64 37.85 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 -4.15 0.05 -0.34 1.39 3.01 0.85 -2.58 117.46 115.69 2gqb n PHE 12 Ca -0.38 -0.03 0.04 0.00 1.01 0.00 0.00 57.45 58.09 2gqb n PHE 12 Cb 0.74 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.27 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 0.90 3.50 3.87 1.37 0.00 -1.25 -5.02 105.19 108.55 2gqb n GLY 13 Ca 0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.51 6.42 -0.47 1.61 2.15 -1.07 -4.97 116.67 118.83 2gqb s ASP 14 Ca 0.13 1.35 0.06 0.00 0.43 0.00 0.00 52.55 54.52 2gqb s ASP 14 Cb 0.10 -2.43 0.21 0.00 -0.30 0.00 0.00 42.92 40.50 2gqb s ASP 14 CO 0.03 -0.65 0.47 -1.20 -0.17 0.00 0.00 175.17 173.65 2gqb n SER 15 N -2.03 0.68 -1.69 -0.34 7.64 -1.26 -4.94 113.62 111.69 2gqb n SER 15 Ca 0.05 -2.71 -0.09 0.00 1.01 0.00 0.00 58.87 57.13 2gqb n SER 15 Cb 0.54 -0.62 0.03 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.00 -0.52 -2.62 -0.43 0.00 -1.26 -4.95 120.51 112.72 2gqb n ALA 16 Ca 0.26 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2gqb n ALA 16 Cb 0.47 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 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 -3.12 2.83 -1.27 0.00 0.00 -1.26 -3.84 121.76 115.09 2gqb s ALA 17 Ca 0.20 -2.22 -0.04 0.00 0.00 0.00 0.00 51.96 49.90 2gqb s ALA 17 Cb -0.09 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2gqb s ALA 17 CO 0.27 -3.46 0.48 0.00 0.00 0.00 0.00 175.76 173.05 2gqb n ALA 18 N 8.56 -0.77 -1.71 0.00 0.00 -1.26 -4.70 120.51 120.63 2gqb n ALA 18 Ca 0.27 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.58 2gqb n ALA 18 Cb 0.50 -3.21 0.07 0.00 0.00 0.00 0.00 19.45 16.81 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 -2.75 4.63 0.33 0.00 1.04 -1.25 -4.79 113.70 110.92 2gqb s SER 19 Ca 0.24 2.59 -0.29 0.00 0.48 0.00 0.00 55.95 58.97 2gqb s SER 19 Cb -0.10 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.30 2gqb s SER 19 CO 0.29 -1.99 1.31 -2.16 0.98 0.00 0.00 173.24 171.68 2gqb s PRO 20 N -3.41 4.34 0.00 4.02 0.04 -1.26 -3.85 135.00 134.88 2gqb s PRO 20 Ca 0.82 2.22 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2gqb s PRO 20 Cb -0.36 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2gqb s PRO 20 CO 0.39 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2gqb n GLY 21 N 0.79 1.03 3.87 0.56 0.00 -1.26 -5.08 105.19 105.09 2gqb n GLY 21 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.35 2.33 0.60 -0.02 0.00 -1.25 -5.10 107.32 101.53 2gqb s GLY 22 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.51 2gqb s GLY 22 CO 0.00 -0.08 0.83 0.00 0.00 0.00 0.00 173.10 173.85 2gqb s ALA 23 N -1.69 4.27 -0.22 3.20 0.00 -1.26 -5.10 121.76 120.96 2gqb s ALA 23 Ca 0.44 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.53 2gqb s ALA 23 Cb -0.12 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.30 2gqb s ALA 23 CO 0.21 -0.98 -0.14 -0.65 0.00 0.00 0.00 175.76 174.19 2gqb s GLN 24 N -4.80 2.81 -0.41 0.00 -1.52 -1.26 -5.09 119.66 109.39 2gqb s GLN 24 Ca 0.62 -0.97 -0.14 0.00 -1.95 0.00 0.00 55.36 52.93 2gqb s GLN 24 Cb -0.07 -2.76 0.04 0.00 -0.22 0.00 0.00 33.01 30.00 2gqb s GLN 24 CO 0.40 -0.33 0.29 0.00 -0.25 0.00 0.00 175.29 175.40 2gqb s ALA 25 N 1.27 3.43 0.88 6.09 0.00 -1.26 -5.08 121.76 127.08 2gqb s ALA 25 Ca 0.01 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.01 2gqb s ALA 25 Cb -0.15 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.30 2gqb s ALA 25 CO -0.09 -1.52 1.22 -1.25 0.00 0.00 0.00 175.76 174.12 2gqb s PRO 26 N 1.62 1.05 -0.90 0.00 0.04 -1.26 -5.01 135.00 130.53 2gqb s PRO 26 Ca 0.04 -0.56 -0.14 0.00 0.04 0.00 0.00 61.00 60.38 2gqb s PRO 26 Cb -0.20 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.56 2gqb s PRO 26 CO 0.08 -2.07 0.89 0.00 0.04 0.00 0.00 177.00 175.94 2gqb s ALA 27 N -3.65 4.10 -0.33 8.56 0.00 -1.26 -5.01 121.76 124.16 2gqb s ALA 27 Ca 0.71 -3.34 -0.13 0.00 0.00 0.00 0.00 51.96 49.20 2gqb s ALA 27 Cb -0.05 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2gqb s ALA 27 CO 0.50 -2.37 0.24 0.99 0.00 0.00 0.00 175.76 175.12 2gqb s THR 28 N 0.30 5.28 0.08 0.00 2.01 -1.26 -5.07 115.64 116.98 2gqb s THR 28 Ca 0.23 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2gqb s THR 28 Cb -0.09 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2gqb s THR 28 CO -0.09 0.04 0.22 0.28 -0.69 0.00 0.00 174.62 174.38 2gqb s THR 29 N 1.76 5.33 0.00 -0.82 -1.32 -1.26 -4.74 115.64 114.58 2gqb s THR 29 Ca 0.07 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 2gqb s THR 29 Cb -0.17 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2gqb s THR 29 CO 0.11 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2gqb n GLY 30 N 0.09 2.80 5.00 6.08 0.00 -1.26 -5.01 105.19 112.88 2gqb n GLY 30 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb n ALA 31 N 0.00 0.00 -2.27 4.61 0.00 -1.26 -4.87 120.51 116.71 2gqb n ALA 31 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2gqb n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 3.52 0.00 0.00 0.00 -1.26 -4.87 121.76 119.14 2gqb s ALA 32 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2gqb s ALA 32 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2gqb s ALA 32 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2gqb n GLY 33 N 3.43 3.33 3.57 0.00 0.00 -1.26 -5.10 105.19 109.17 2gqb n GLY 33 Ca 0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2gqb n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gqb s THR 34 N 0.00 4.35 -0.28 2.61 -4.23 -1.26 -5.00 115.64 111.83 2gqb s THR 34 Ca 0.00 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2gqb s THR 34 Cb 0.00 -4.52 0.05 0.00 1.34 0.00 0.00 72.50 69.37 2gqb s THR 34 CO 0.00 -0.95 -0.05 0.00 -0.54 0.00 0.00 174.62 173.08 2gqb s ALA 35 N 4.08 2.71 0.41 3.99 0.00 -1.26 -5.10 121.76 126.58 2gqb s ALA 35 Ca 0.40 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 2gqb s ALA 35 Cb -0.09 -1.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2gqb s ALA 35 CO 0.27 -1.22 1.41 -1.25 0.00 0.00 0.00 175.76 174.98 2gqb s PRO 36 N 1.19 3.94 -0.69 0.00 0.04 -1.26 -4.97 135.00 133.26 2gqb s PRO 36 Ca -0.07 2.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 2gqb s PRO 36 Cb -0.20 -2.82 0.18 0.00 0.04 0.00 0.00 34.50 31.70 2gqb s PRO 36 CO -0.03 -0.60 0.60 0.99 0.04 0.00 0.00 177.00 177.99 2gqb s THR 37 N -1.18 4.98 -0.49 1.26 2.01 -1.26 -5.02 115.64 115.94 2gqb s THR 37 Ca 0.56 -2.29 -0.14 0.00 0.31 0.00 0.00 61.69 60.14 2gqb s THR 37 Cb -0.43 -4.15 0.10 0.00 0.01 0.00 0.00 72.50 68.03 2gqb s THR 37 CO 0.57 -0.93 0.41 0.00 -0.69 0.00 0.00 174.62 173.97 2gqb s ALA 38 N 0.55 3.53 -0.60 7.40 0.00 -1.26 -5.04 121.76 126.34 2gqb s ALA 38 Ca 0.13 -2.36 -0.24 0.00 0.00 0.00 0.00 51.96 49.49 2gqb s ALA 38 Cb -0.18 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.94 2gqb s ALA 38 CO -0.05 -1.86 1.00 -1.25 0.00 0.00 0.00 175.76 173.60 2gqb s PRO 39 N 1.54 3.27 -0.06 0.00 0.04 -1.26 -5.02 135.00 133.51 2gqb s PRO 39 Ca 0.04 -0.39 -0.29 0.00 0.04 0.00 0.00 61.00 60.40 2gqb s PRO 39 Cb -0.27 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 2gqb s PRO 39 CO 0.03 -1.65 0.98 -0.65 0.04 0.00 0.00 177.00 175.75 2gqb s GLN 40 N 4.22 4.48 -0.25 4.56 -0.21 -1.26 -4.95 119.66 126.25 2gqb s GLN 40 Ca 0.29 1.38 -0.35 0.00 0.02 0.00 0.00 55.36 56.70 2gqb s GLN 40 Cb -0.13 -3.50 -0.12 0.00 1.00 0.00 0.00 33.01 30.26 2gqb s GLN 40 CO 0.17 -0.19 2.02 -0.35 -2.12 0.00 0.00 175.29 174.82 2gqb n PRO 41 N 4.50 1.49 -4.11 2.91 -0.04 -1.26 -4.97 135.00 133.52 2gqb n PRO 41 Ca 0.07 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.72 2gqb n PRO 41 Cb 0.50 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.37 2gqb n PRO 41 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2gqb s THR 42 N 5.78 4.17 0.17 0.52 -1.32 -1.26 -5.13 115.64 118.57 2gqb s THR 42 Ca 1.02 -0.95 -0.07 0.00 -1.21 0.00 0.00 61.69 60.49 2gqb s THR 42 Cb -0.81 -3.01 -0.02 0.00 -1.51 0.00 0.00 72.50 67.16 2gqb s THR 42 CO 0.52 0.10 0.24 0.00 -2.21 0.00 0.00 174.62 173.27 2gqb s ALA 43 N -1.37 0.33 -0.41 11.08 0.00 -1.26 -5.12 121.76 125.01 2gqb s ALA 43 Ca 0.27 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2gqb s ALA 43 Cb -0.12 0.97 0.16 0.00 0.00 0.00 0.00 23.12 24.13 2gqb s ALA 43 CO 0.20 -0.63 0.39 0.00 0.00 0.00 0.00 175.76 175.72 2gqb s ALA 44 N -4.02 0.20 -2.27 0.00 0.00 -1.26 -4.97 121.76 109.44 2gqb s ALA 44 Ca 0.22 -1.58 0.24 0.00 0.00 0.00 0.00 51.96 50.85 2gqb s ALA 44 Cb 0.04 -1.92 1.05 0.00 0.00 0.00 0.00 23.12 22.29 2gqb s ALA 44 CO 0.03 -2.09 1.72 -0.35 0.00 0.00 0.00 175.76 175.07 2gqb n PRO 45 N 3.49 1.50 -3.84 0.00 -0.04 -1.26 -4.85 135.00 130.00 2gqb n PRO 45 Ca 0.19 -0.74 -0.12 0.00 -0.04 0.00 0.00 63.50 62.79 2gqb n PRO 45 Cb 0.47 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2gqb n PRO 45 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqb s SER 46 N -1.76 -0.03 -0.44 3.54 0.01 -1.26 -5.11 113.70 108.65 2gqb s SER 46 Ca 0.35 -0.14 -0.17 0.00 1.31 0.00 0.00 55.95 57.31 2gqb s SER 46 Cb 0.18 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.68 2gqb s SER 46 CO 0.29 -0.39 0.45 -0.63 0.41 0.00 0.00 173.24 173.37 2gqb s ILE 47 N -1.37 5.09 -0.63 1.44 -1.09 -0.79 -4.94 121.20 118.91 2gqb s ILE 47 Ca -0.14 -0.53 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 2gqb s ILE 47 Cb -0.07 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 2gqb s ILE 47 CO 0.02 -0.50 1.20 -0.62 -1.23 0.00 0.00 174.94 173.81 2gqb s ASP 48 N 2.08 6.34 0.06 3.58 -1.08 -1.26 0.10 116.67 126.49 2gqb s ASP 48 Ca 0.10 -0.14 0.04 0.00 -0.52 0.00 0.00 52.55 52.03 2gqb s ASP 48 Cb -0.19 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.49 2gqb s ASP 48 CO 0.12 -1.58 1.08 0.58 0.52 0.00 0.00 175.17 175.89 2gqb h VAL 49 N 6.10 1.43 0.13 1.11 2.07 -1.79 -3.36 116.25 121.95 2gqb h VAL 49 Ca -0.26 -3.12 0.02 0.00 0.82 0.00 0.00 66.70 64.15 2gqb h VAL 49 Cb 1.06 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 2gqb h VAL 49 CO 1.21 0.86 -0.28 0.00 0.02 0.00 0.00 177.57 179.37 2gqb h ALA 50 N 0.82 -0.49 -0.76 1.67 0.00 -1.89 -2.50 119.26 116.11 2gqb h ALA 50 Ca -0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2gqb h ALA 50 Cb 1.89 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.11 2gqb h ALA 50 CO 0.14 -0.83 0.26 -1.00 0.00 0.00 0.00 179.25 177.82 2gqb h PRO 51 N -0.51 1.17 -0.93 0.00 0.13 -1.93 0.10 132.00 130.04 2gqb h PRO 51 Ca 0.03 -0.24 0.04 0.00 -0.87 0.00 0.00 66.00 64.96 2gqb h PRO 51 Cb 0.53 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.43 2gqb h PRO 51 CO -0.16 0.98 0.60 0.82 -0.23 0.00 0.00 178.00 180.01 2gqb h ILE 52 N 1.12 1.13 0.07 -3.56 2.04 -1.65 0.95 117.51 117.62 2gqb h ILE 52 Ca 0.25 -0.39 -0.31 0.00 1.00 0.00 0.00 64.86 65.41 2gqb h ILE 52 Cb 0.28 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 2gqb h ILE 52 CO -0.01 0.21 -1.64 -0.07 0.00 0.00 0.00 178.15 176.63 2gqb h LEU 53 N 1.14 0.24 -1.60 1.44 4.07 -1.26 -1.06 115.31 118.28 2gqb h LEU 53 Ca 0.38 -0.42 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 2gqb h LEU 53 Cb 0.05 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2gqb h LEU 53 CO -0.14 1.36 -0.08 -0.78 -1.08 0.00 0.00 178.44 177.72 2gqb h ASP 54 N 0.04 0.14 0.66 -0.43 3.58 -0.68 -0.64 116.42 119.10 2gqb h ASP 54 Ca -0.28 -0.02 -0.27 0.00 0.42 0.00 0.00 57.03 56.89 2gqb h ASP 54 Cb 2.00 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.98 2gqb h ASP 54 CO 0.12 0.25 -1.45 0.11 -2.88 0.00 0.00 179.24 175.39 2gqb h LYS 55 N 0.15 0.03 -0.09 0.28 1.79 -0.86 -3.34 116.57 114.52 2gqb h LYS 55 Ca 0.03 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2gqb h LYS 55 Cb 0.24 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2gqb h LYS 55 CO 0.01 0.74 -0.16 0.00 -1.08 0.00 0.00 179.45 178.96 2gqb h ALA 56 N 0.94 1.56 -0.12 3.86 0.00 -0.23 -1.17 119.26 124.10 2gqb h ALA 56 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2gqb h ALA 56 Cb 1.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2gqb h ALA 56 CO 0.10 0.32 0.08 0.28 0.00 0.00 0.00 179.25 180.04 2gqb h VAL 57 N 0.14 1.03 -0.50 0.00 2.07 -1.27 0.21 116.25 117.92 2gqb h VAL 57 Ca 0.03 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2gqb h VAL 57 Cb 0.38 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2gqb h VAL 57 CO 0.02 0.03 -0.08 0.11 0.02 0.00 0.00 177.57 177.68 2gqb h LYS 58 N 0.17 0.91 0.00 1.57 1.57 -1.62 -2.62 116.57 116.55 2gqb h LYS 58 Ca 0.05 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2gqb h LYS 58 Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2gqb h LYS 58 CO -0.01 0.95 -0.45 0.00 -0.57 0.00 0.00 179.45 179.37 2gqb h ALA 59 N 1.08 1.20 0.24 3.86 0.00 -0.87 -3.12 119.26 121.64 2gqb h ALA 59 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2gqb h ALA 59 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gqb h ALA 59 CO 0.04 0.56 -0.12 -0.22 0.00 0.00 0.00 179.25 179.52 2gqb h LYS 60 N 0.00 -0.31 0.00 0.00 3.64 -0.30 -3.49 116.57 116.11 2gqb h LYS 60 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2gqb h LYS 60 Cb 0.82 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2gqb h LYS 60 CO 0.06 0.05 0.00 0.41 -2.27 0.00 0.00 179.45 177.70 2gqb n GLY 61 N 0.00 2.10 3.72 5.01 0.00 -1.01 -5.11 105.19 109.90 2gqb n GLY 61 Ca -0.09 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 2.34 -0.48 1.61 -1.05 -1.25 -4.93 118.70 114.95 2gqb s GLU 62 Ca 0.00 -1.57 -0.17 0.00 -0.15 0.00 0.00 54.97 53.08 2gqb s GLU 62 Cb 0.00 -2.15 0.06 0.00 -0.44 0.00 0.00 34.13 31.60 2gqb s GLU 62 CO 0.00 0.12 0.48 0.21 0.95 0.00 0.00 175.26 177.02 2gqb s LYS 63 N -3.83 3.05 0.04 -4.83 2.36 -1.26 -4.45 119.74 110.82 2gqb s LYS 63 Ca 0.37 -1.09 0.00 0.00 -2.55 0.00 0.00 55.97 52.70 2gqb s LYS 63 Cb -0.02 -4.09 0.00 0.00 -1.05 0.00 0.00 37.83 32.67 2gqb s LYS 63 CO 0.22 -1.07 0.02 1.28 1.55 0.00 0.00 175.35 177.35 2gqb n LEU 64 N 5.61 0.00 -3.51 5.43 4.32 -1.26 -5.13 117.00 122.46 2gqb n LEU 64 Ca -0.10 -0.21 -0.29 0.00 -0.02 0.00 0.00 56.01 55.40 2gqb n LEU 64 Cb 0.45 0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.12 2gqb n LEU 64 CO 0.49 -0.17 -0.33 -0.70 -1.22 0.00 0.00 177.39 175.46 2gqb s GLU 65 N -2.14 0.32 0.50 3.23 2.56 -1.26 -4.98 118.70 116.94 2gqb s GLU 65 Ca 0.01 -0.83 0.29 0.00 0.00 0.00 0.00 54.97 54.44 2gqb s GLU 65 Cb -0.00 -1.21 1.03 0.00 2.00 0.00 0.00 34.13 35.95 2gqb s GLU 65 CO 0.01 -1.09 1.86 0.11 -0.56 0.00 0.00 175.26 175.59 2gqb h TRP 66 N 7.88 0.00 0.00 5.30 5.08 -1.94 0.12 115.95 132.39 2gqb h TRP 66 Ca -0.10 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.85 2gqb h TRP 66 Cb 0.99 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 2gqb h TRP 66 CO 0.35 0.04 -0.11 0.00 -1.28 0.00 0.00 178.44 177.44 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.27 114.38 112.32 2gqb h ARG 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gqb h ARG 67 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2gqb h ARG 67 CO 0.01 0.11 -0.91 -2.37 -1.07 0.00 0.00 179.97 175.74 2gqb n THR 68 N -3.85 0.00 -3.72 2.04 5.66 -1.14 -4.84 114.28 108.44 2gqb n THR 68 Ca -0.02 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.61 2gqb n THR 68 Cb 0.21 -0.74 -0.12 0.00 -1.55 0.00 0.00 70.33 68.12 2gqb n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2gqb s SER 69 N -2.69 5.51 0.43 1.09 0.15 0.39 -4.89 113.70 113.69 2gqb s SER 69 Ca 0.00 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 56.81 2gqb s SER 69 Cb 0.00 -2.00 0.75 0.00 -1.71 0.00 0.00 66.02 63.06 2gqb s SER 69 CO 0.00 -0.02 1.75 -0.29 1.20 0.00 0.00 173.24 175.88 2gqb h ILE 70 N 5.41 0.00 -0.08 6.45 6.09 -1.80 -3.04 117.51 130.54 2gqb h ILE 70 Ca -0.37 -0.73 -0.14 0.00 -1.37 0.00 0.00 64.86 62.25 2gqb h ILE 70 Cb 1.18 1.71 -0.01 0.00 0.47 0.00 0.00 36.82 40.17 2gqb h ILE 70 CO 0.58 0.00 -0.58 0.58 -3.07 0.00 0.00 178.15 175.67 2gqb h VAL 71 N 0.00 1.38 0.32 2.19 2.07 -1.91 -3.07 116.25 117.22 2gqb h VAL 71 Ca 0.00 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2gqb h VAL 71 Cb 0.77 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2gqb h VAL 71 CO 0.00 0.57 -0.15 -0.78 0.02 0.00 0.00 177.57 177.22 2gqb h ASP 72 N 0.18 -0.36 -0.31 0.57 3.58 -1.83 -2.95 116.42 115.30 2gqb h ASP 72 Ca -0.00 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.55 2gqb h ASP 72 Cb 1.07 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2gqb h ASP 72 CO 0.09 -0.15 0.28 0.17 -2.88 0.00 0.00 179.24 176.75 2gqb h LEU 73 N -0.64 0.00 0.63 2.28 8.10 -1.68 0.16 115.31 124.16 2gqb h LEU 73 Ca -0.04 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 2gqb h LEU 73 Cb 0.33 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2gqb h LEU 73 CO 0.07 0.00 -0.30 -0.03 -4.11 0.00 0.00 178.44 174.07 2gqb h MET 74 N 0.00 -0.81 0.00 0.17 4.05 -1.56 -3.19 114.93 113.59 2gqb h MET 74 Ca 0.15 0.06 -0.17 0.00 -0.28 0.00 0.00 59.70 59.45 2gqb h MET 74 Cb 0.70 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 2gqb h MET 74 CO -0.00 -0.53 -0.81 1.57 0.23 0.00 0.00 176.91 177.37 2gqb h LYS 75 N -0.88 0.03 -0.06 0.39 2.10 -0.92 -3.22 116.57 114.01 2gqb h LYS 75 Ca -0.09 -0.04 0.04 0.00 -2.00 0.00 0.00 60.65 58.57 2gqb h LYS 75 Cb 0.66 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.95 2gqb h LYS 75 CO 0.14 0.82 -0.24 0.00 -2.00 0.00 0.00 179.45 178.17 2gqb h ALA 76 N 1.17 -0.28 0.17 0.07 0.00 -1.09 -3.23 119.26 116.07 2gqb h ALA 76 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 76 Cb 1.42 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2gqb h ALA 76 CO 0.11 -0.73 -0.08 -0.07 0.00 0.00 0.00 179.25 178.48 2gqb h LEU 77 N -0.35 -0.19 0.00 0.00 -0.00 -1.63 -3.45 115.31 109.69 2gqb h LEU 77 Ca 0.08 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2gqb h LEU 77 Cb 0.46 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2gqb h LEU 77 CO -0.26 -0.13 0.00 -0.67 -0.00 0.00 0.00 178.44 177.39 2gqb n ASP 78 N -2.67 0.00 -3.91 -0.43 2.03 -1.22 -5.11 116.55 105.24 2gqb n ASP 78 Ca -0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.17 2gqb n ASP 78 Cb 0.09 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.36 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 0.05 0.24 5.18 -1.09 -1.22 -4.94 121.20 119.42 2gqb s ILE 79 Ca 0.00 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 2gqb s ILE 79 Cb 0.00 -0.12 0.26 0.00 -1.58 0.00 0.00 42.46 41.02 2gqb s ILE 79 CO 0.00 -0.21 1.65 -0.78 -1.23 0.00 0.00 174.94 174.37 2gqb h ASP 80 N 5.52 -0.29 -0.72 3.58 3.58 -1.93 -3.42 116.42 122.75 2gqb h ASP 80 Ca -0.27 0.18 -0.31 0.00 0.42 0.00 0.00 57.03 57.05 2gqb h ASP 80 Cb 1.21 0.31 -0.12 0.00 1.72 0.00 0.00 39.33 42.45 2gqb h ASP 80 CO 0.47 -0.15 -0.28 -1.54 -2.88 0.00 0.00 179.24 174.86 2gqb n SER 81 N -5.31 -5.13 -0.64 2.28 3.41 -1.26 -4.97 113.62 102.00 2gqb n SER 81 Ca 0.13 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2gqb n SER 81 Cb 0.45 -3.95 0.00 0.00 -0.26 0.00 0.00 64.21 60.45 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 -0.79 0.00 -0.10 4.04 2.88 -1.26 -4.81 113.62 113.58 2gqb n SER 82 Ca -0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 2gqb n SER 82 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.44 -0.37 2.46 7.12 -1.99 -2.56 115.31 120.41 2gqb h LEU 83 Ca 0.00 -0.21 0.04 0.00 0.13 0.00 0.00 57.88 57.83 2gqb h LEU 83 Cb 0.00 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 2gqb h LEU 83 CO 0.00 0.54 0.14 0.28 -0.13 0.00 0.00 178.44 179.27 2gqb h SER 84 N 0.31 0.17 0.15 1.25 0.02 -1.98 -0.48 113.55 113.00 2gqb h SER 84 Ca 0.09 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2gqb h SER 84 Cb 0.26 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2gqb h SER 84 CO -0.00 0.14 -0.07 0.00 -1.14 0.00 0.00 176.83 175.75 2gqb h ALA 85 N 1.23 -0.21 -0.28 3.77 0.00 -1.90 -0.96 119.26 120.91 2gqb h ALA 85 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2gqb h ALA 85 Cb 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2gqb h ALA 85 CO -0.15 -0.53 0.19 0.00 0.00 0.00 0.00 179.25 178.75 2gqb h ARG 86 N -0.38 0.21 -0.08 0.00 3.08 -1.30 -1.88 114.38 114.03 2gqb h ARG 86 Ca -0.02 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2gqb h ARG 86 Cb 0.30 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2gqb h ARG 86 CO 0.03 0.14 -0.40 -0.22 -1.07 0.00 0.00 179.97 178.45 2gqb h LYS 87 N 0.22 0.41 -0.30 0.04 1.63 -0.71 -2.92 116.57 114.94 2gqb h LYS 87 Ca 0.12 -0.34 -0.08 0.00 -0.85 0.00 0.00 60.65 59.50 2gqb h LYS 87 Cb 0.20 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2gqb h LYS 87 CO -0.02 0.98 -0.13 1.05 -3.45 0.00 0.00 179.45 177.87 2gqb h GLU 88 N -0.05 0.61 -0.89 1.90 4.11 -0.72 -1.56 114.58 117.99 2gqb h GLU 88 Ca -0.03 -0.26 0.04 0.00 0.07 0.00 0.00 59.36 59.18 2gqb h GLU 88 Cb 1.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2gqb h GLU 88 CO 0.08 0.84 0.57 1.25 0.07 0.00 0.00 179.01 181.82 2gqb h LEU 89 N 0.36 0.94 -0.04 3.06 5.85 -1.45 -0.82 115.31 123.21 2gqb h LEU 89 Ca 0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2gqb h LEU 89 Cb 0.65 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2gqb h LEU 89 CO 0.04 0.64 -0.03 0.00 -0.34 0.00 0.00 178.44 178.75 2gqb h ALA 90 N 1.38 0.06 0.00 1.25 0.00 -1.38 -3.02 119.26 117.54 2gqb h ALA 90 Ca 0.36 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2gqb h ALA 90 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2gqb h ALA 90 CO -0.13 -0.19 -0.33 1.57 0.00 0.00 0.00 179.25 180.17 2gqb h LYS 91 N -0.33 0.00 0.00 0.00 2.10 -0.99 0.21 116.57 117.56 2gqb h LYS 91 Ca 0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.56 2gqb h LYS 91 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2gqb h LYS 91 CO 0.01 0.33 -0.46 0.93 -2.00 0.00 0.00 179.45 178.26 2gqb h GLU 92 N 0.00 0.00 0.00 0.07 4.39 -1.23 -3.22 114.58 114.59 2gqb h GLU 92 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2gqb h GLU 92 Cb 0.93 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 2gqb h GLU 92 CO 0.04 0.46 -1.39 -0.07 -1.16 0.00 0.00 179.01 176.90 2gqb h LEU 93 N 0.00 0.00 0.00 1.33 3.38 -1.28 -3.48 115.31 115.26 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 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2gqb h LEU 93 CO 0.06 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2gqb n GLY 94 N 1.45 1.12 2.48 0.83 0.00 -0.24 -4.90 105.19 105.91 2gqb n GLY 94 Ca -0.10 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.55 -1.80 1.61 9.36 0.58 -4.86 117.16 121.50 2gqb n TYR 95 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2gqb n TYR 95 Cb 0.00 -3.70 -0.03 0.00 -0.63 0.00 0.00 39.34 34.98 2gqb n TYR 95 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2gqb s SER 96 N -2.38 6.52 0.00 2.98 0.01 -1.26 -4.79 113.70 114.78 2gqb s SER 96 Ca 0.00 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.80 2gqb s SER 96 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2gqb s SER 96 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 2gqb n GLY 97 N 4.34 0.51 0.68 3.44 0.00 -1.26 -5.06 105.19 107.84 2gqb n GLY 97 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 3.00 0.00 -0.27 1.61 2.03 -1.26 -4.96 116.55 116.70 2gqb n ASP 98 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2gqb n ASP 98 Cb 0.00 0.17 0.59 0.00 -0.72 0.00 0.00 41.12 41.16 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 -1.74 1.37 0.08 -0.67 0.00 -1.26 -3.62 117.12 111.28 2gqb n MET 99 Ca 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 57.70 57.29 2gqb n MET 99 Cb 0.00 -1.42 0.38 0.00 0.00 0.00 0.00 33.22 32.18 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 -0.29 0.68 0.00 3.17 6.94 -1.26 -5.02 115.26 119.48 2gqb n ASN 100 Ca 0.18 0.45 0.00 0.00 -0.02 0.00 0.00 54.58 55.19 2gqb n ASN 100 Cb 0.22 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 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 -2.11 -2.17 0.21 0.53 2.03 -1.24 -2.26 116.55 111.54 2gqb n ASP 101 Ca 0.05 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.46 2gqb n ASP 101 Cb 0.42 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.19 0.00 0.58 1.67 0.02 -1.95 -2.94 113.55 111.11 2gqb h SER 102 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2gqb h SER 102 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2gqb h SER 102 CO 0.00 0.14 -0.45 0.00 -1.14 0.00 0.00 176.83 175.38 2gqb h ALA 103 N 1.86 -1.18 -0.00 3.77 0.00 -1.99 -1.31 119.26 120.41 2gqb h ALA 103 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gqb h ALA 103 Cb 1.01 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2gqb h ALA 103 CO 0.02 -1.17 -0.10 0.43 0.00 0.00 0.00 179.25 178.43 2gqb n SER 104 N -5.24 0.14 0.10 0.00 7.64 -0.96 -3.33 113.62 111.97 2gqb n SER 104 Ca -0.12 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 59.87 2gqb n SER 104 Cb 0.44 -0.29 0.07 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.06 0.10 -0.33 1.43 -1.53 -1.24 -0.65 114.93 112.78 2gqb h MET 105 Ca 0.00 -0.09 -0.09 0.00 -3.44 0.00 0.00 59.70 56.08 2gqb h MET 105 Cb 0.45 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.51 2gqb h MET 105 CO 0.00 0.79 -0.17 -0.97 0.14 0.00 0.00 176.91 176.70 2gqb h ASN 106 N 0.06 0.59 0.11 1.39 -1.24 -1.26 -2.15 115.58 113.08 2gqb h ASN 106 Ca -0.02 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 2gqb h ASN 106 Cb 1.31 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2gqb h ASN 106 CO 0.10 0.77 -0.05 0.40 -1.29 0.00 0.00 177.43 177.37 2gqb h ILE 107 N 0.54 0.97 -0.31 2.57 2.04 -1.62 -2.55 117.51 119.14 2gqb h ILE 107 Ca 0.09 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 2gqb h ILE 107 Cb 0.60 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2gqb h ILE 107 CO 0.04 0.27 0.19 -0.25 0.00 0.00 0.00 178.15 178.40 2gqb h TRP 108 N -0.87 0.41 -0.45 1.37 7.01 -1.19 -2.59 115.95 119.62 2gqb h TRP 108 Ca -0.01 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 2gqb h TRP 108 Cb 0.56 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 2gqb h TRP 108 CO 0.11 0.29 0.08 1.25 -2.79 0.00 0.00 178.44 177.39 2gqb h LEU 109 N 0.40 0.64 -0.02 0.65 5.85 -1.51 -2.44 115.31 118.89 2gqb h LEU 109 Ca 0.11 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2gqb h LEU 109 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2gqb h LEU 109 CO -0.02 0.66 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.88 2gqb h HIS 110 N 0.67 -0.30 -0.09 1.25 2.76 -1.06 -1.35 115.15 117.03 2gqb h HIS 110 Ca 0.15 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 2gqb h HIS 110 Cb 0.29 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2gqb h HIS 110 CO 0.01 -0.18 -0.52 1.57 -1.30 0.00 0.00 177.93 177.51 2gqb h LYS 111 N -0.19 0.24 -0.19 5.26 2.10 -1.34 -2.24 116.57 120.22 2gqb h LYS 111 Ca 0.05 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2gqb h LYS 111 Cb 0.26 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2gqb h LYS 111 CO -0.14 0.71 0.02 1.96 -2.00 0.00 0.00 179.45 180.00 2gqb h GLN 112 N 0.19 0.32 -0.51 0.07 1.08 -1.15 -2.51 115.11 112.61 2gqb h GLN 112 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2gqb h GLN 112 Cb 0.99 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 2gqb h GLN 112 CO 0.08 0.50 0.33 0.28 -0.95 0.00 0.00 178.83 179.07 2gqb h VAL 113 N 0.10 1.13 -0.90 -0.54 2.07 -1.18 -2.06 116.25 114.88 2gqb h VAL 113 Ca 0.06 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2gqb h VAL 113 Cb 0.34 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2gqb h VAL 113 CO 0.01 0.13 0.59 0.24 0.02 0.00 0.00 177.57 178.55 2gqb h MET 114 N 0.69 1.09 0.00 1.57 2.86 -0.98 -0.29 114.93 119.87 2gqb h MET 114 Ca 0.19 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2gqb h MET 114 Cb -0.08 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.34 2gqb h MET 114 CO -0.04 0.72 0.00 1.03 1.06 0.00 0.00 176.91 179.68 2gqb h SER 115 N 1.13 0.00 0.00 1.22 0.87 -1.03 -2.30 113.55 113.43 2gqb h SER 115 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2gqb h SER 115 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2gqb h SER 115 CO -0.11 0.00 -1.12 0.29 -0.53 0.00 0.00 176.83 175.37 2gqb n LYS 116 N -2.65 0.88 0.00 2.24 4.76 -0.36 -4.52 118.16 118.52 2gqb n LYS 116 Ca 0.01 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2gqb n LYS 116 Cb 0.27 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.62 0.00 0.02 -0.35 0.00 -0.26 -4.73 117.00 110.07 2gqb n LEU 117 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.12 2gqb n LEU 117 Cb 0.34 -0.03 0.41 0.00 0.00 0.00 0.00 43.42 44.14 2gqb n LEU 117 CO 0.38 -0.04 0.81 1.33 0.00 0.00 0.00 177.39 179.87 2gqb n VAL 118 N -1.47 0.71 0.46 1.96 0.24 -0.98 -2.34 118.33 116.91 2gqb n VAL 118 Ca 0.00 0.16 0.09 0.00 -2.04 0.00 0.00 64.34 62.55 2gqb n VAL 118 Cb 0.00 -0.87 0.38 0.00 -1.47 0.00 0.00 33.84 31.87 2gqb n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqb n ALA 119 N -1.55 1.67 1.10 2.33 0.00 -1.23 -1.27 120.51 121.55 2gqb n ALA 119 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2gqb n ALA 119 Cb 0.23 -1.29 0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.78 1.52 0.00 0.00 3.02 -0.99 -4.79 115.26 112.25 2gqb n ASN 120 Ca 0.03 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2gqb n ASN 120 Cb 0.19 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.94 1.48 3.73 7.41 0.00 -1.02 -4.97 105.19 112.75 2gqb n GLY 121 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 3.01 -0.18 -0.02 0.00 -0.40 -1.89 107.32 105.84 2gqb s GLY 122 Ca 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 44.72 45.13 2gqb s GLY 122 CO 0.00 1.44 0.53 1.25 0.00 0.00 0.00 173.10 176.32 2gqb s LYS 123 N -0.14 4.22 0.04 2.90 2.20 0.28 -4.80 119.74 124.45 2gqb s LYS 123 Ca 0.46 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 2gqb s LYS 123 Cb -0.24 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2gqb s LYS 123 CO 0.30 -0.10 -0.09 -0.48 -0.36 0.00 0.00 175.35 174.63 2gqb s LEU 124 N 1.46 2.25 0.55 5.43 -0.00 -1.26 -2.19 118.68 124.92 2gqb s LEU 124 Ca 0.25 -0.54 -0.18 0.00 -0.00 0.00 0.00 54.13 53.66 2gqb s LEU 124 Cb -0.15 -0.22 -0.05 0.00 -0.00 0.00 0.00 46.19 45.76 2gqb s LEU 124 CO 0.10 -0.17 1.09 -2.16 -0.00 0.00 0.00 176.35 175.21 2gqb s PRO 125 N -1.53 3.37 0.00 1.48 0.04 -1.26 -4.91 135.00 132.20 2gqb s PRO 125 Ca -0.08 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2gqb s PRO 125 Cb -0.10 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2gqb s PRO 125 CO 0.01 -0.80 0.37 -2.30 0.04 0.00 0.00 177.00 174.31 2gqb n PRO 126 N -1.49 0.23 0.14 0.56 -0.02 -1.26 -1.85 135.00 131.30 2gqb n PRO 126 Ca 0.10 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.60 2gqb n PRO 126 Cb 0.52 -1.10 0.06 0.00 -0.02 0.00 0.00 33.50 32.95 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 0.00 -4.04 -0.52 4.39 -2.01 -3.37 114.58 109.03 2gqb h GLU 127 Ca 0.00 0.00 -0.77 0.00 0.34 0.00 0.00 59.36 58.93 2gqb h GLU 127 Cb 0.00 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.42 2gqb h GLU 127 CO 0.00 0.56 0.96 -0.89 -1.16 0.00 0.00 179.01 178.48 2gqb n ILE 128 N -3.30 4.47 -3.57 3.13 -0.00 -0.77 -4.82 119.36 114.49 2gqb n ILE 128 Ca 0.01 -5.08 -0.28 0.00 -0.00 0.00 0.00 62.75 57.40 2gqb n ILE 128 Cb 0.73 -2.49 -0.11 0.00 -0.00 0.00 0.00 39.64 37.76 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 -0.04 1.25 0.00 0.38 1.02 -1.26 -4.99 119.74 116.10 2gqb s LYS 129 Ca 0.37 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.13 2gqb s LYS 129 Cb -0.05 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2gqb s LYS 129 CO -0.03 -1.30 0.00 0.72 -0.92 0.00 0.00 175.35 173.83