#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb n SER 2 N 0.00 -1.87 -0.12 6.12 7.64 -1.26 -4.73 113.62 119.39 2gqb n SER 2 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 2gqb n SER 2 Cb 0.00 -0.94 0.39 0.00 -1.01 0.00 0.00 64.21 62.65 2gqb n SER 2 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2gqb h ILE 3 N 0.00 1.03 0.00 0.44 2.04 -1.91 0.47 117.51 119.58 2gqb h ILE 3 Ca 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2gqb h ILE 3 Cb 0.00 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2gqb h ILE 3 CO 0.00 0.12 -0.19 2.19 0.00 0.00 0.00 178.15 180.28 2gqb h PHE 4 N 0.66 0.00 0.00 1.37 -5.15 -1.94 0.71 116.94 112.59 2gqb h PHE 4 Ca 0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.04 2gqb h PHE 4 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.38 2gqb h PHE 4 CO -0.00 0.19 -0.31 0.78 -2.00 0.00 0.00 178.31 176.96 2gqb h GLY 5 N 0.58 0.00 1.03 6.09 0.00 -1.24 -2.99 103.07 106.54 2gqb h GLY 5 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2gqb h GLY 5 CO 0.02 0.00 -1.50 0.50 0.00 0.00 0.00 176.54 175.56 2gqb h LYS 6 N 0.00 0.45 -0.00 4.80 1.57 -0.44 -3.36 116.57 119.59 2gqb h LYS 6 Ca 0.00 -0.77 -0.17 0.00 -1.87 0.00 0.00 60.65 57.85 2gqb h LYS 6 Cb 0.95 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2gqb h LYS 6 CO 0.00 1.37 -0.78 -0.84 -0.57 0.00 0.00 179.45 178.63 2gqb h ILE 7 N 0.04 1.54 0.00 1.86 3.07 -1.00 -3.22 117.51 119.80 2gqb h ILE 7 Ca -0.28 -2.61 0.00 0.00 1.55 0.00 0.00 64.86 63.52 2gqb h ILE 7 Cb 2.06 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 41.03 2gqb h ILE 7 CO 0.22 0.75 0.00 0.00 -1.05 0.00 0.00 178.15 178.07 2gqb h MET 8 N 0.02 0.00 0.00 0.16 -0.00 -1.67 -2.72 114.93 110.72 2gqb h MET 8 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.61 2gqb h MET 8 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.96 2gqb h MET 8 CO 0.10 0.00 -0.36 0.77 -0.00 0.00 0.00 176.91 177.43 2gqb h SER 9 N 0.00 0.00 0.16 -0.10 0.02 -1.72 0.42 113.55 112.32 2gqb h SER 9 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2gqb h SER 9 Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2gqb h SER 9 CO 0.00 0.36 -1.88 0.00 -1.14 0.00 0.00 176.83 174.17 2gqb h ALA 10 N 1.64 0.30 -0.08 3.77 0.00 -1.71 -3.12 119.26 120.06 2gqb h ALA 10 Ca -0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 54.91 53.62 2gqb h ALA 10 Cb 0.69 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gqb h ALA 10 CO 0.05 1.18 -0.01 0.82 0.00 0.00 0.00 179.25 181.28 2gqb h ILE 11 N 0.09 1.27 -0.35 0.00 2.04 -1.48 -2.85 117.51 116.23 2gqb h ILE 11 Ca -0.39 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2gqb h ILE 11 Cb 2.07 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2gqb h ILE 11 CO 0.13 0.24 0.00 0.49 0.00 0.00 0.00 178.15 179.02 2gqb n PHE 12 N -4.81 0.67 -1.77 1.37 3.01 0.12 -3.61 117.46 112.44 2gqb n PHE 12 Ca -0.07 -0.28 0.06 0.00 1.01 0.00 0.00 57.45 58.17 2gqb n PHE 12 Cb 0.21 -0.10 0.16 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.85 4.15 3.68 1.37 0.00 -1.08 -5.01 105.19 109.14 2gqb n GLY 13 Ca 0.13 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.91 6.59 -0.00 1.61 2.15 -1.19 -4.80 116.67 118.11 2gqb s ASP 14 Ca 0.36 2.47 0.00 0.00 0.43 0.00 0.00 52.55 55.81 2gqb s ASP 14 Cb 0.36 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2gqb s ASP 14 CO -0.08 -0.93 0.88 -0.24 -0.17 0.00 0.00 175.17 174.63 2gqb n SER 15 N 6.26 0.00 -0.03 -0.34 2.88 -1.26 -4.67 113.62 116.47 2gqb n SER 15 Ca 0.17 -1.76 -0.03 0.00 -1.33 0.00 0.00 58.87 55.92 2gqb n SER 15 Cb 0.41 -0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.00 1.88 -0.05 -1.46 0.00 -1.26 -4.68 120.51 114.93 2gqb n ALA 16 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 2gqb n ALA 16 Cb 0.65 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.53 1.40 -3.19 0.00 0.00 -1.26 -5.01 120.51 109.92 2gqb n ALA 17 Ca -0.09 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 2gqb n ALA 17 Cb 0.62 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.76 -1.29 -0.62 0.00 0.00 -1.26 -4.74 120.51 109.84 2gqb n ALA 18 Ca -0.27 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2gqb n ALA 18 Cb 1.08 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 2gqb n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gqb n SER 19 N -2.31 -3.37 -4.71 0.00 7.64 -1.26 -4.81 113.62 104.79 2gqb n SER 19 Ca -0.12 0.64 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 2gqb n SER 19 Cb 0.59 -2.09 -0.02 0.00 -1.01 0.00 0.00 64.21 61.69 2gqb n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2gqb n PRO 20 N -2.92 2.36 -0.85 1.43 -0.04 -1.26 -4.87 135.00 128.85 2gqb n PRO 20 Ca -0.04 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2gqb n PRO 20 Cb 0.29 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 1.81 -0.60 0.00 0.55 0.00 -1.26 -5.17 105.19 100.52 2gqb n GLY 21 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 4.27 2.82 -0.02 0.00 -1.26 -5.14 105.19 105.86 2gqb n GLY 22 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2gqb n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 23 N -0.07 0.78 -0.08 4.61 0.00 -1.26 -5.11 121.76 120.63 2gqb s ALA 23 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 2gqb s ALA 23 Cb 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.48 2gqb s ALA 23 CO 0.00 -0.32 0.05 -1.14 0.00 0.00 0.00 175.76 174.35 2gqb s GLN 24 N 1.63 0.10 -0.28 0.00 0.74 -1.26 -5.13 119.66 115.46 2gqb s GLN 24 Ca 0.00 0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.50 2gqb s GLN 24 Cb -0.13 -0.92 -0.05 0.00 1.10 0.00 0.00 33.01 33.02 2gqb s GLN 24 CO -0.04 -0.41 0.24 0.00 -0.55 0.00 0.00 175.29 174.53 2gqb s ALA 25 N 2.12 3.54 0.52 1.58 0.00 -1.26 -5.07 121.76 123.19 2gqb s ALA 25 Ca 0.04 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 2gqb s ALA 25 Cb -0.13 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 2gqb s ALA 25 CO -0.05 -0.58 1.26 -2.14 0.00 0.00 0.00 175.76 174.26 2gqb s PRO 26 N 1.84 3.33 -1.03 0.00 0.02 -1.26 -3.87 135.00 134.03 2gqb s PRO 26 Ca 0.09 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 63.01 2gqb s PRO 26 Cb -0.16 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 2gqb s PRO 26 CO 0.11 -0.97 0.84 0.00 -0.33 0.00 0.00 177.00 176.65 2gqb n ALA 27 N -0.93 -2.52 1.94 -1.55 0.00 -1.26 -4.88 120.51 111.31 2gqb n ALA 27 Ca 0.10 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2gqb n ALA 27 Cb 0.47 -4.53 0.86 0.00 0.00 0.00 0.00 19.45 16.25 2gqb n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gqb n THR 28 N -3.32 0.00 -1.04 0.00 5.66 -1.25 -4.21 114.28 110.11 2gqb n THR 28 Ca -0.08 -0.03 -0.15 0.00 -3.05 0.00 0.00 64.05 60.74 2gqb n THR 28 Cb 0.60 -0.36 -0.07 0.00 -1.55 0.00 0.00 70.33 68.94 2gqb n THR 28 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2gqb n THR 29 N -0.84 2.89 -1.76 1.09 -2.24 -1.26 -4.95 114.28 107.21 2gqb n THR 29 Ca 0.22 -1.80 -0.42 0.00 -2.27 0.00 0.00 64.05 59.79 2gqb n THR 29 Cb 0.13 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.65 2gqb n THR 29 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gqb s GLY 30 N 1.22 1.36 0.10 3.38 0.00 -1.26 -4.91 107.32 107.20 2gqb s GLY 30 Ca 0.47 1.56 -0.10 0.00 0.00 0.00 0.00 44.72 46.66 2gqb s GLY 30 CO -0.07 2.81 1.24 0.00 0.00 0.00 0.00 173.10 177.08 2gqb h ALA 31 N 6.55 0.23 -2.65 3.20 0.00 -1.97 -3.37 119.26 121.25 2gqb h ALA 31 Ca -0.43 -0.70 -0.76 0.00 0.00 0.00 0.00 54.91 53.02 2gqb h ALA 31 Cb 1.20 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.71 2gqb h ALA 31 CO 0.93 0.74 0.24 0.00 0.00 0.00 0.00 179.25 181.16 2gqb n ALA 32 N -2.61 4.09 -0.21 0.00 0.00 -1.26 -4.94 120.51 115.59 2gqb n ALA 32 Ca -0.09 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.70 2gqb n ALA 32 Cb 0.86 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 2.46 1.98 3.48 0.00 0.00 -1.26 -4.82 105.19 107.04 2gqb n GLY 33 Ca 0.23 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 2gqb n GLY 33 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gqb n THR 34 N 0.00 -5.70 -3.18 2.61 -2.24 -1.26 -4.81 114.28 99.71 2gqb n THR 34 Ca 0.00 0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 2gqb n THR 34 Cb 0.00 -4.36 -0.07 0.00 -2.10 0.00 0.00 70.33 63.80 2gqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gqb s ALA 35 N -2.60 3.47 0.73 6.98 0.00 -1.26 -4.94 121.76 124.14 2gqb s ALA 35 Ca 0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 2gqb s ALA 35 Cb -0.02 -3.09 0.10 0.00 0.00 0.00 0.00 23.12 20.12 2gqb s ALA 35 CO 0.85 -1.26 1.02 -1.25 0.00 0.00 0.00 175.76 175.12 2gqb s PRO 36 N 2.54 1.81 -0.19 0.00 0.05 -1.26 -5.10 135.00 132.85 2gqb s PRO 36 Ca 0.22 -0.70 -0.00 0.00 0.05 0.00 0.00 61.00 60.56 2gqb s PRO 36 Cb -0.15 -2.23 0.05 0.00 0.05 0.00 0.00 34.50 32.21 2gqb s PRO 36 CO 0.14 -1.42 -0.05 -0.08 0.05 0.00 0.00 177.00 175.64 2gqb s THR 37 N -3.23 1.21 -0.41 1.26 -1.32 -1.26 -5.10 115.64 106.79 2gqb s THR 37 Ca 0.64 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 2gqb s THR 37 Cb -0.07 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.50 2gqb s THR 37 CO 0.45 0.05 1.31 0.00 -2.21 0.00 0.00 174.62 174.21 2gqb s ALA 38 N 1.57 3.13 -0.46 11.08 0.00 -1.26 -4.99 121.76 130.84 2gqb s ALA 38 Ca -0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2gqb s ALA 38 Cb -0.16 -3.90 0.06 0.00 0.00 0.00 0.00 23.12 19.12 2gqb s ALA 38 CO -0.07 -2.24 0.39 -1.25 0.00 0.00 0.00 175.76 172.58 2gqb s PRO 39 N 4.65 2.98 -0.17 0.00 0.04 -1.26 -5.07 135.00 136.18 2gqb s PRO 39 Ca 0.56 -1.28 -0.13 0.00 0.04 0.00 0.00 61.00 60.20 2gqb s PRO 39 Cb -0.12 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.27 2gqb s PRO 39 CO 0.30 -0.99 0.25 -0.65 0.04 0.00 0.00 177.00 175.96 2gqb s GLN 40 N 1.68 4.24 -0.37 4.56 -0.21 -1.26 -5.02 119.66 123.28 2gqb s GLN 40 Ca 0.05 0.00 -0.33 0.00 0.02 0.00 0.00 55.36 55.10 2gqb s GLN 40 Cb -0.23 -3.43 -0.10 0.00 1.00 0.00 0.00 33.01 30.24 2gqb s GLN 40 CO 0.07 0.24 2.24 -2.30 -2.12 0.00 0.00 175.29 173.43 2gqb n PRO 41 N 3.60 1.17 0.06 2.91 -0.02 -1.26 -4.81 135.00 136.66 2gqb n PRO 41 Ca -0.13 0.29 -0.02 0.00 -2.02 0.00 0.00 63.50 61.62 2gqb n PRO 41 Cb 0.52 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 2gqb n PRO 41 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2gqb h THR 42 N 7.21 0.87 -3.40 3.45 2.02 -1.97 -3.45 112.91 117.64 2gqb h THR 42 Ca -0.28 -2.41 -0.66 0.00 0.77 0.00 0.00 66.41 63.83 2gqb h THR 42 Cb 1.30 2.35 -0.14 0.00 -1.74 0.00 0.00 68.15 69.92 2gqb h THR 42 CO 1.04 0.50 -0.66 0.00 0.37 0.00 0.00 175.52 176.77 2gqb s ALA 43 N -2.85 3.24 -0.41 6.16 0.00 -1.26 -5.08 121.76 121.55 2gqb s ALA 43 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2gqb s ALA 43 Cb 0.08 -1.26 0.17 0.00 0.00 0.00 0.00 23.12 22.11 2gqb s ALA 43 CO 0.79 0.66 0.40 0.00 0.00 0.00 0.00 175.76 177.61 2gqb s ALA 44 N -1.14 0.29 -0.08 0.00 0.00 -1.26 -5.02 121.76 114.55 2gqb s ALA 44 Ca 0.21 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 2gqb s ALA 44 Cb -0.11 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2gqb s ALA 44 CO 0.12 -2.08 -0.05 -1.00 0.00 0.00 0.00 175.76 172.75 2gqb h PRO 45 N 6.04 0.00 -6.36 0.00 0.13 -2.01 -3.46 132.00 126.35 2gqb h PRO 45 Ca 0.15 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.74 2gqb h PRO 45 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2gqb h PRO 45 CO 0.25 0.00 0.50 -1.54 -0.23 0.00 0.00 178.00 176.98 2gqb s SER 46 N -4.82 7.25 -0.48 1.44 1.04 -1.26 -5.01 113.70 111.86 2gqb s SER 46 Ca -0.05 1.69 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 2gqb s SER 46 Cb 0.01 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.63 2gqb s SER 46 CO 0.07 -0.39 0.46 -0.63 0.98 0.00 0.00 173.24 173.73 2gqb s ILE 47 N 1.48 5.12 -0.42 -1.02 -1.09 -1.19 -4.95 121.20 119.14 2gqb s ILE 47 Ca 0.52 -0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 57.84 2gqb s ILE 47 Cb -0.22 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 2gqb s ILE 47 CO 0.24 -0.64 0.87 -0.62 -1.23 0.00 0.00 174.94 173.56 2gqb s ASP 48 N 2.57 6.53 0.42 3.58 -1.08 -1.26 0.93 116.67 128.37 2gqb s ASP 48 Ca 0.08 0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.56 2gqb s ASP 48 Cb -0.22 -2.43 0.55 0.00 -1.46 0.00 0.00 42.92 39.36 2gqb s ASP 48 CO 0.09 -0.91 1.67 0.58 0.52 0.00 0.00 175.17 177.12 2gqb h VAL 49 N 5.93 0.30 0.59 1.11 2.07 -1.07 -3.34 116.25 121.83 2gqb h VAL 49 Ca -0.24 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2gqb h VAL 49 Cb 1.08 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2gqb h VAL 49 CO 0.98 0.15 -0.28 0.00 0.02 0.00 0.00 177.57 178.44 2gqb h ALA 50 N 1.84 -0.98 0.00 1.67 0.00 -1.91 -2.48 119.26 117.40 2gqb h ALA 50 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2gqb h ALA 50 Cb 0.97 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2gqb h ALA 50 CO 0.02 -0.92 -0.11 -1.00 0.00 0.00 0.00 179.25 177.24 2gqb h PRO 51 N -0.97 0.00 0.14 0.00 0.13 -1.95 0.13 132.00 129.48 2gqb h PRO 51 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2gqb h PRO 51 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2gqb h PRO 51 CO 0.13 0.11 -0.07 0.82 -0.23 0.00 0.00 178.00 178.76 2gqb h ILE 52 N 0.00 0.96 0.11 -3.56 2.04 -1.67 -2.67 117.51 112.72 2gqb h ILE 52 Ca -0.00 -0.41 -0.29 0.00 1.00 0.00 0.00 64.86 65.16 2gqb h ILE 52 Cb 0.20 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2gqb h ILE 52 CO 0.01 0.10 -1.41 -0.07 0.00 0.00 0.00 178.15 176.78 2gqb h LEU 53 N -0.37 0.37 -1.16 1.44 3.38 -1.06 -1.80 115.31 116.11 2gqb h LEU 53 Ca -0.02 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.55 2gqb h LEU 53 Cb 0.30 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2gqb h LEU 53 CO 0.03 1.38 0.58 0.44 0.09 0.00 0.00 178.44 180.97 2gqb h ASP 54 N 0.07 0.88 0.69 -0.43 3.32 -0.83 -1.26 116.42 118.85 2gqb h ASP 54 Ca -0.20 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2gqb h ASP 54 Cb 1.99 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.36 2gqb h ASP 54 CO 0.17 0.56 -1.25 0.29 -1.72 0.00 0.00 179.24 177.29 2gqb n LYS 55 N -4.50 0.58 0.09 3.56 4.76 -1.01 -3.74 118.16 117.91 2gqb n LYS 55 Ca 0.14 0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.59 2gqb n LYS 55 Cb 0.22 -1.73 0.24 0.00 -1.84 0.00 0.00 35.03 31.93 2gqb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gqb h ALA 56 N 2.06 1.16 -0.91 7.82 0.00 -0.68 -2.38 119.26 126.33 2gqb h ALA 56 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2gqb h ALA 56 Cb 0.97 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2gqb h ALA 56 CO 0.00 0.56 0.59 0.28 0.00 0.00 0.00 179.25 180.67 2gqb h VAL 57 N 0.22 1.13 0.00 0.00 2.07 -1.34 0.28 116.25 118.62 2gqb h VAL 57 Ca 0.03 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2gqb h VAL 57 Cb 0.75 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2gqb h VAL 57 CO 0.06 0.21 -0.01 0.11 0.02 0.00 0.00 177.57 177.95 2gqb h LYS 58 N 1.13 0.00 0.01 1.57 1.57 -1.57 -2.91 116.57 116.36 2gqb h LYS 58 Ca 0.37 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.86 2gqb h LYS 58 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2gqb h LYS 58 CO -0.13 0.01 -1.65 0.00 -0.57 0.00 0.00 179.45 177.11 2gqb h ALA 59 N 1.99 0.72 -0.06 3.86 0.00 -0.92 -3.37 119.26 121.49 2gqb h ALA 59 Ca -0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 54.91 53.49 2gqb h ALA 59 Cb 0.69 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2gqb h ALA 59 CO 0.00 1.55 0.02 -0.22 0.00 0.00 0.00 179.25 180.60 2gqb h LYS 60 N 0.00 0.09 0.00 0.00 1.63 -0.78 -3.48 116.57 114.03 2gqb h LYS 60 Ca -0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2gqb h LYS 60 Cb 1.99 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 2gqb h LYS 60 CO 0.08 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 2gqb n GLY 61 N -0.61 1.27 3.14 5.01 0.00 -1.15 -5.11 105.19 107.73 2gqb n GLY 61 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.12 0.74 -0.23 1.61 -1.05 -1.26 -5.10 118.70 113.28 2gqb s GLU 62 Ca 0.00 -1.28 -0.29 0.00 -0.15 0.00 0.00 54.97 53.25 2gqb s GLU 62 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.63 2gqb s GLU 62 CO 0.00 -0.05 1.54 0.21 0.95 0.00 0.00 175.26 177.90 2gqb s LYS 63 N -3.83 3.85 -0.04 -4.83 2.47 -1.26 -4.75 119.74 111.35 2gqb s LYS 63 Ca 0.09 1.59 0.04 0.00 -1.56 0.00 0.00 55.97 56.13 2gqb s LYS 63 Cb 0.06 -3.99 -0.00 0.00 -1.46 0.00 0.00 37.83 32.44 2gqb s LYS 63 CO -0.07 -1.22 -0.15 -0.51 0.16 0.00 0.00 175.35 173.57 2gqb s LEU 64 N 4.92 1.86 -0.65 5.43 1.43 -1.26 -5.07 118.68 125.34 2gqb s LEU 64 Ca 0.68 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 2gqb s LEU 64 Cb -0.23 -0.85 0.20 0.00 0.03 0.00 0.00 46.19 45.34 2gqb s LEU 64 CO 0.27 0.12 0.56 -1.84 0.23 0.00 0.00 176.35 175.69 2gqb n GLU 65 N 3.24 1.83 0.32 1.70 0.28 -1.26 -4.92 120.64 121.83 2gqb n GLU 65 Ca -0.19 -4.36 0.22 0.00 -0.16 0.00 0.00 57.16 52.67 2gqb n GLU 65 Cb 0.53 -2.17 1.13 0.00 1.43 0.00 0.00 31.44 32.36 2gqb n GLU 65 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 177.13 177.08 2gqb h TRP 66 N 4.99 0.00 0.00 -1.84 5.08 -1.91 0.98 115.95 123.25 2gqb h TRP 66 Ca 0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.14 2gqb h TRP 66 Cb 0.75 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 2gqb h TRP 66 CO 0.64 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.80 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 3.08 -1.94 -3.30 114.38 112.34 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2gqb h ARG 67 CO 0.00 0.00 -0.51 -2.37 -1.07 0.00 0.00 179.97 176.02 2gqb n THR 68 N -2.94 0.00 -4.12 2.04 5.66 -0.55 -4.62 114.28 109.74 2gqb n THR 68 Ca -0.01 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2gqb n THR 68 Cb 0.21 -0.39 -0.12 0.00 -1.55 0.00 0.00 70.33 68.47 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 -1.87 4.95 0.12 1.09 0.01 0.23 -4.86 113.70 113.38 2gqb s SER 69 Ca 0.00 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2gqb s SER 69 Cb 0.00 -1.84 -0.19 0.00 0.21 0.00 0.00 66.02 64.20 2gqb s SER 69 CO 0.00 0.10 1.27 -0.29 0.41 0.00 0.00 173.24 174.72 2gqb h ILE 70 N 5.27 1.65 -0.48 1.44 6.09 -1.82 -3.24 117.51 126.41 2gqb h ILE 70 Ca -0.35 -3.25 -0.09 0.00 -1.37 0.00 0.00 64.86 59.80 2gqb h ILE 70 Cb 1.18 2.82 -0.02 0.00 0.47 0.00 0.00 36.82 41.27 2gqb h ILE 70 CO 0.62 0.93 -0.07 0.58 -3.07 0.00 0.00 178.15 177.15 2gqb h VAL 71 N 0.02 1.26 -0.00 2.19 2.07 -1.93 -2.58 116.25 117.27 2gqb h VAL 71 Ca -0.04 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.36 2gqb h VAL 71 Cb 1.77 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2gqb h VAL 71 CO 0.15 0.39 -0.08 0.44 0.02 0.00 0.00 177.57 178.49 2gqb h ASP 72 N 0.77 -0.23 0.57 0.57 5.19 -1.90 -2.26 116.42 119.11 2gqb h ASP 72 Ca 0.14 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.48 2gqb h ASP 72 Cb 0.56 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2gqb h ASP 72 CO 0.03 -0.12 -0.50 0.17 -3.12 0.00 0.00 179.24 175.70 2gqb h LEU 73 N -0.14 0.00 0.39 1.55 8.10 -1.61 -1.06 115.31 122.54 2gqb h LEU 73 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 2gqb h LEU 73 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2gqb h LEU 73 CO -0.08 0.50 -0.22 -0.03 -4.11 0.00 0.00 178.44 174.50 2gqb h MET 74 N 0.00 -0.55 0.00 0.17 4.05 -1.03 -2.79 114.93 114.78 2gqb h MET 74 Ca -0.01 0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 2gqb h MET 74 Cb 0.92 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2gqb h MET 74 CO 0.07 -0.37 -0.34 1.57 0.23 0.00 0.00 176.91 178.07 2gqb h LYS 75 N -0.57 0.00 -0.42 0.39 2.10 -1.39 -3.11 116.57 113.57 2gqb h LYS 75 Ca -0.05 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.69 2gqb h LYS 75 Cb 0.46 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.71 2gqb h LYS 75 CO 0.06 0.34 -0.11 0.00 -2.00 0.00 0.00 179.45 177.74 2gqb h ALA 76 N 1.66 0.26 0.11 0.07 0.00 -0.91 -2.72 119.26 117.73 2gqb h ALA 76 Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2gqb h ALA 76 Cb 1.05 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2gqb h ALA 76 CO 0.04 -0.46 -0.05 -0.07 0.00 0.00 0.00 179.25 178.72 2gqb h LEU 77 N -0.01 -0.12 0.00 0.00 -0.00 -1.61 -3.44 115.31 110.13 2gqb h LEU 77 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2gqb h LEU 77 Cb 0.32 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2gqb h LEU 77 CO -0.44 -0.08 0.00 -0.67 -0.00 0.00 0.00 178.44 177.26 2gqb n ASP 78 N -2.44 0.00 -4.02 -0.43 -0.08 -1.03 -5.07 116.55 103.48 2gqb n ASP 78 Ca -0.02 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.07 2gqb n ASP 78 Cb 0.06 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.37 2gqb n ASP 78 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2gqb s ILE 79 N 0.00 0.78 0.35 5.18 -1.09 -1.17 -4.96 121.20 120.28 2gqb s ILE 79 Ca 0.00 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 2gqb s ILE 79 Cb 0.00 -0.67 0.29 0.00 -1.58 0.00 0.00 42.46 40.50 2gqb s ILE 79 CO 0.00 0.23 1.95 0.44 -1.23 0.00 0.00 174.94 176.33 2gqb h ASP 80 N 6.07 0.73 -0.42 3.58 5.19 -1.94 -3.38 116.42 126.26 2gqb h ASP 80 Ca -0.32 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.91 2gqb h ASP 80 Cb 1.17 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.46 2gqb h ASP 80 CO 0.49 0.48 -0.16 -1.20 -3.12 0.00 0.00 179.24 175.73 2gqb n SER 81 N -4.48 -4.80 -2.82 6.45 7.64 -1.26 -4.99 113.62 109.37 2gqb n SER 81 Ca 0.11 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2gqb n SER 81 Cb 0.20 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 2gqb n SER 81 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gqb n SER 82 N -0.41 -0.05 -0.06 6.43 2.88 -1.26 -4.68 113.62 116.48 2gqb n SER 82 Ca -0.09 -0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.08 2gqb n SER 82 Cb 0.41 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.31 -0.94 2.46 7.12 -1.99 -2.34 115.31 119.93 2gqb h LEU 83 Ca 0.00 -0.34 0.05 0.00 0.13 0.00 0.00 57.88 57.72 2gqb h LEU 83 Cb 0.00 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 39.99 2gqb h LEU 83 CO 0.00 0.58 0.60 -1.28 -0.13 0.00 0.00 178.44 178.21 2gqb h SER 84 N 0.04 0.99 0.30 1.25 0.87 -1.99 -0.51 113.55 114.49 2gqb h SER 84 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2gqb h SER 84 Cb 0.43 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2gqb h SER 84 CO 0.01 0.66 -0.14 0.00 -0.53 0.00 0.00 176.83 176.83 2gqb h ALA 85 N 1.40 -0.40 0.00 6.23 0.00 -1.87 -1.37 119.26 123.26 2gqb h ALA 85 Ca 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2gqb h ALA 85 Cb 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2gqb h ALA 85 CO -0.14 -0.59 -0.09 0.07 0.00 0.00 0.00 179.25 178.50 2gqb h ARG 86 N -0.67 0.00 0.35 0.00 0.11 -1.26 -1.62 114.38 111.29 2gqb h ARG 86 Ca -0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2gqb h ARG 86 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2gqb h ARG 86 CO 0.07 0.09 -0.17 -0.22 0.10 0.00 0.00 179.97 179.83 2gqb h LYS 87 N 0.00 -0.45 -0.46 0.08 1.63 -0.86 -3.07 116.57 113.43 2gqb h LYS 87 Ca -0.00 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 2gqb h LYS 87 Cb 0.20 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2gqb h LYS 87 CO 0.01 -0.13 -0.11 1.05 -3.45 0.00 0.00 179.45 176.82 2gqb h GLU 88 N -0.90 0.84 -0.29 1.90 4.11 -0.88 -1.12 114.58 118.23 2gqb h GLU 88 Ca -0.05 -0.29 0.03 0.00 0.07 0.00 0.00 59.36 59.12 2gqb h GLU 88 Cb 0.53 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2gqb h GLU 88 CO 0.08 0.91 0.12 1.25 0.07 0.00 0.00 179.01 181.44 2gqb h LEU 89 N 0.75 0.16 -0.36 3.06 5.85 -1.41 -0.78 115.31 122.58 2gqb h LEU 89 Ca 0.12 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 2gqb h LEU 89 Cb 0.61 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2gqb h LEU 89 CO 0.04 0.13 -0.10 0.00 -0.34 0.00 0.00 178.44 178.17 2gqb h ALA 90 N 1.17 0.50 -0.76 1.25 0.00 -1.41 -2.88 119.26 117.13 2gqb h ALA 90 Ca 0.12 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2gqb h ALA 90 Cb 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2gqb h ALA 90 CO -0.11 0.36 0.38 0.87 0.00 0.00 0.00 179.25 180.75 2gqb h LYS 91 N 0.50 0.60 0.00 0.00 1.57 -0.75 0.58 116.57 119.07 2gqb h LYS 91 Ca 0.09 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2gqb h LYS 91 Cb 0.61 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2gqb h LYS 91 CO 0.04 0.40 -0.48 0.93 -0.57 0.00 0.00 179.45 179.76 2gqb h GLU 92 N 0.62 0.00 0.00 3.15 4.39 -1.12 -2.73 114.58 118.89 2gqb h GLU 92 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2gqb h GLU 92 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2gqb h GLU 92 CO -0.30 0.48 -0.26 1.28 -1.16 0.00 0.00 179.01 179.05 2gqb n LEU 93 N -3.65 0.33 0.00 1.33 4.77 -0.43 -4.90 117.00 114.45 2gqb n LEU 93 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2gqb n LEU 93 Cb 0.56 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2gqb n LEU 93 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2gqb n GLY 94 N 1.47 1.64 2.99 -0.72 0.00 -0.38 -4.89 105.19 105.30 2gqb n GLY 94 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.19 -4.16 1.61 9.36 0.19 -4.90 117.16 116.07 2gqb n TYR 95 Ca 0.00 1.32 -0.23 0.00 3.32 0.00 0.00 57.90 62.31 2gqb n TYR 95 Cb 0.00 -3.38 -0.17 0.00 -0.63 0.00 0.00 39.34 35.16 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 -2.09 1.60 0.00 2.98 0.01 -1.26 -5.00 113.70 109.94 2gqb s SER 96 Ca 0.22 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2gqb s SER 96 Cb -0.05 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2gqb s SER 96 CO 0.74 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2gqb n GLY 97 N 4.37 4.60 1.10 3.44 0.00 -1.26 -5.02 105.19 112.42 2gqb n GLY 97 Ca -0.19 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.40 0.26 1.61 2.03 -1.26 -4.94 116.55 112.84 2gqb n ASP 98 Ca 0.00 0.45 0.17 0.00 0.52 0.00 0.00 54.79 55.93 2gqb n ASP 98 Cb 0.00 1.54 0.76 0.00 -0.72 0.00 0.00 41.12 42.70 2gqb n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gqb h MET 99 N 0.00 0.00 0.00 -0.67 -0.00 -2.06 -1.69 114.93 110.52 2gqb h MET 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2gqb h MET 99 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2gqb h MET 99 CO 0.00 0.00 -0.01 0.27 -0.00 0.00 0.00 176.91 177.17 2gqb n ASN 100 N -2.89 0.69 0.00 -0.10 6.94 -1.26 -5.01 115.26 113.63 2gqb n ASN 100 Ca -0.00 0.56 0.00 0.00 -0.02 0.00 0.00 54.58 55.12 2gqb n ASN 100 Cb 0.23 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 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 -2.15 -0.92 0.12 0.53 -0.08 -0.64 -2.78 116.55 110.64 2gqb n ASP 101 Ca 0.06 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.33 2gqb n ASP 101 Cb 0.42 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.13 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2gqb h SER 102 N 2.62 0.15 0.12 1.67 0.02 -1.95 -2.37 113.55 113.81 2gqb h SER 102 Ca 0.00 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2gqb h SER 102 Cb 0.00 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 2gqb h SER 102 CO 0.00 0.56 -0.53 0.00 -1.14 0.00 0.00 176.83 175.72 2gqb h ALA 103 N 1.45 -1.00 0.00 3.77 0.00 -1.99 -1.98 119.26 119.51 2gqb h ALA 103 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gqb h ALA 103 Cb 0.80 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2gqb h ALA 103 CO 0.06 -1.13 -0.37 0.43 0.00 0.00 0.00 179.25 178.24 2gqb n SER 104 N -5.49 0.38 -0.11 0.00 7.64 -1.12 -3.92 113.62 111.01 2gqb n SER 104 Ca -0.08 -0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 2gqb n SER 104 Cb 0.41 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2gqb n SER 104 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gqb h MET 105 N 0.00 0.53 -0.06 1.43 -1.53 -0.81 -0.97 114.93 113.51 2gqb h MET 105 Ca 0.00 -0.11 -0.09 0.00 -3.44 0.00 0.00 59.70 56.06 2gqb h MET 105 Cb 0.52 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 2gqb h MET 105 CO 0.00 0.56 -0.36 -0.97 0.14 0.00 0.00 176.91 176.27 2gqb h ASN 106 N 0.40 0.13 0.41 1.39 -1.24 -1.57 -2.31 115.58 112.80 2gqb h ASN 106 Ca 0.11 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2gqb h ASN 106 Cb 0.25 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.26 2gqb h ASN 106 CO -0.00 0.49 -0.20 0.40 -1.29 0.00 0.00 177.43 176.83 2gqb h ILE 107 N 0.11 0.12 -0.31 2.57 2.04 -1.62 -2.09 117.51 118.33 2gqb h ILE 107 Ca 0.01 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.27 2gqb h ILE 107 Cb 0.70 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2gqb h ILE 107 CO 0.05 0.03 0.15 -0.25 0.00 0.00 0.00 178.15 178.13 2gqb h TRP 108 N -1.11 0.27 -0.78 1.37 7.01 -1.25 -2.61 115.95 118.84 2gqb h TRP 108 Ca -0.06 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 2gqb h TRP 108 Cb 0.47 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 2gqb h TRP 108 CO 0.01 0.14 0.32 1.25 -2.79 0.00 0.00 178.44 177.37 2gqb h LEU 109 N 0.31 1.08 -0.39 0.65 5.85 -1.53 -0.42 115.31 120.86 2gqb h LEU 109 Ca 0.13 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2gqb h LEU 109 Cb 0.05 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2gqb h LEU 109 CO -0.10 0.95 0.16 -0.74 -0.34 0.00 0.00 178.44 178.37 2gqb h HIS 110 N 1.14 0.29 0.01 1.25 2.76 -1.02 -1.56 115.15 118.03 2gqb h HIS 110 Ca 0.26 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.24 2gqb h HIS 110 Cb 0.21 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2gqb h HIS 110 CO 0.02 0.13 -1.02 0.87 -1.30 0.00 0.00 177.93 176.63 2gqb h LYS 111 N 0.34 0.01 -0.39 5.26 1.57 -1.23 -3.19 116.57 118.95 2gqb h LYS 111 Ca 0.17 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2gqb h LYS 111 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2gqb h LYS 111 CO -0.15 1.00 -0.15 0.37 -0.57 0.00 0.00 179.45 179.95 2gqb h GLN 112 N 0.00 0.79 -0.52 3.15 5.75 -0.77 -2.60 115.11 120.91 2gqb h GLN 112 Ca -0.02 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.13 2gqb h GLN 112 Cb 1.78 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 30.28 2gqb h GLN 112 CO 0.13 0.95 0.23 0.28 -2.65 0.00 0.00 178.83 177.76 2gqb h VAL 113 N 0.59 1.18 -0.29 2.39 2.07 -1.37 -2.38 116.25 118.45 2gqb h VAL 113 Ca 0.09 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2gqb h VAL 113 Cb 0.69 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2gqb h VAL 113 CO 0.05 0.22 0.10 0.24 0.02 0.00 0.00 177.57 178.20 2gqb h MET 114 N 0.74 0.41 0.00 1.57 2.86 -1.45 -0.35 114.93 118.71 2gqb h MET 114 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2gqb h MET 114 Cb 0.12 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2gqb h MET 114 CO -0.02 0.36 -0.05 0.77 1.06 0.00 0.00 176.91 179.03 2gqb h SER 115 N 0.41 0.00 0.00 1.22 0.02 -1.21 -0.67 113.55 113.32 2gqb h SER 115 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2gqb h SER 115 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2gqb h SER 115 CO -0.01 0.05 -1.39 0.29 -1.14 0.00 0.00 176.83 174.63 2gqb n LYS 116 N -3.34 0.52 0.00 3.45 4.76 -0.27 -4.41 118.16 118.88 2gqb n LYS 116 Ca -0.02 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2gqb n LYS 116 Cb 0.20 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.81 0.00 0.24 -0.35 7.94 -0.47 -4.62 117.00 117.93 2gqb n LEU 117 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 2gqb n LEU 117 Cb 0.41 -0.33 0.64 0.00 0.53 0.00 0.00 43.42 44.68 2gqb n LEU 117 CO 0.42 -0.33 0.96 -0.37 -1.11 0.00 0.00 177.39 176.96 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.43 -1.96 116.25 113.31 2gqb h VAL 118 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2gqb h VAL 118 Cb 0.00 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 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 -2.01 1.65 1.41 5.19 0.00 -1.23 -0.48 120.51 125.04 2gqb n ALA 119 Ca 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2gqb n ALA 119 Cb 0.29 -1.25 0.74 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.61 0.00 0.00 0.00 5.03 -0.74 -4.77 115.26 113.17 2gqb n ASN 120 Ca 0.03 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.28 2gqb n ASN 120 Cb 0.18 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gqb n GLY 121 N 1.12 1.62 3.87 7.41 0.00 -0.92 -5.09 105.19 113.20 2gqb n GLY 121 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.62 2.32 -0.11 -0.02 0.00 0.37 -3.17 107.32 105.08 2gqb s GLY 122 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2gqb s GLY 122 CO 0.00 -0.11 -0.22 1.25 0.00 0.00 0.00 173.10 174.02 2gqb s LYS 123 N -2.55 2.93 0.03 2.90 2.36 0.27 -4.75 119.74 120.91 2gqb s LYS 123 Ca 0.44 -0.83 0.02 0.00 -2.55 0.00 0.00 55.97 53.05 2gqb s LYS 123 Cb -0.12 -2.26 -0.02 0.00 -1.05 0.00 0.00 37.83 34.38 2gqb s LYS 123 CO 0.21 0.12 -0.07 -0.48 1.55 0.00 0.00 175.35 176.67 2gqb s LEU 124 N 0.49 2.17 0.77 5.43 -0.00 -1.26 -0.38 118.68 125.91 2gqb s LEU 124 Ca -0.15 -0.40 -0.13 0.00 -0.00 0.00 0.00 54.13 53.45 2gqb s LEU 124 Cb -0.17 -0.21 0.06 0.00 -0.00 0.00 0.00 46.19 45.87 2gqb s LEU 124 CO 0.06 -0.11 1.14 -2.84 -0.00 0.00 0.00 176.35 174.60 2gqb s PRO 125 N -1.10 2.04 0.00 1.48 0.02 -1.26 -4.87 135.00 131.31 2gqb s PRO 125 Ca -0.06 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2gqb s PRO 125 Cb -0.07 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2gqb s PRO 125 CO 0.00 -1.85 0.22 -2.30 -0.33 0.00 0.00 177.00 172.74 2gqb n PRO 126 N -3.23 0.30 0.10 5.54 -0.02 -1.26 -2.29 135.00 134.15 2gqb n PRO 126 Ca 0.11 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 2gqb n PRO 126 Cb 0.52 -1.08 -0.00 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.38 0.00 -3.04 -0.52 5.08 -1.99 -3.40 114.58 111.09 2gqb h GLU 127 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 2gqb h GLU 127 Cb 0.08 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.97 2gqb h GLU 127 CO 0.00 0.27 -0.08 -0.89 -1.00 0.00 0.00 179.01 177.31 2gqb n ILE 128 N -2.98 3.17 -2.76 3.13 -0.00 -0.97 -4.83 119.36 114.13 2gqb n ILE 128 Ca -0.02 -5.24 -0.04 0.00 -0.00 0.00 0.00 62.75 57.44 2gqb n ILE 128 Cb 0.71 -2.28 0.01 0.00 -0.00 0.00 0.00 39.64 38.09 2gqb n ILE 128 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2gqb n LYS 129 N 1.87 0.55 0.00 0.38 5.02 -1.26 -4.98 118.16 119.74 2gqb n LYS 129 Ca 0.24 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 2gqb n LYS 129 Cb 0.37 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2gqb n LYS 129 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49