#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 0.00 -0.36 6.12 7.64 -1.26 -5.00 113.62 120.76 2gqb n SER 2 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2gqb n SER 2 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.05 -0.06 0.44 2.04 -1.94 -0.16 117.51 118.87 2gqb h ILE 3 Ca 0.00 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2gqb h ILE 3 Cb 0.00 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 35.90 2gqb h ILE 3 CO 0.00 0.20 -0.01 2.19 0.00 0.00 0.00 178.15 180.53 2gqb h PHE 4 N 1.12 0.08 -0.01 1.37 -5.15 -1.96 0.47 116.94 112.86 2gqb h PHE 4 Ca 0.44 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.21 2gqb h PHE 4 Cb 0.24 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 36.38 2gqb h PHE 4 CO -0.01 0.11 -0.06 0.41 -2.00 0.00 0.00 178.31 176.76 2gqb n GLY 5 N -1.37 -0.42 0.14 6.09 0.00 -0.13 -3.15 105.19 106.35 2gqb n GLY 5 Ca -0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.33 0.61 0.16 1.61 5.02 -0.02 -4.49 118.16 120.72 2gqb n LYS 6 Ca 0.18 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.66 2gqb n LYS 6 Cb 0.30 -1.49 0.27 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.36 1.33 0.00 -0.18 3.07 -1.18 -2.85 117.51 117.33 2gqb h ILE 7 Ca -0.61 -1.69 0.00 0.00 1.55 0.00 0.00 64.86 64.11 2gqb h ILE 7 Cb 1.78 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 40.25 2gqb h ILE 7 CO -0.21 0.48 0.00 0.00 -1.05 0.00 0.00 178.15 177.37 2gqb h MET 8 N 0.00 0.00 0.00 0.16 -0.00 -1.77 -2.50 114.93 110.82 2gqb h MET 8 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2gqb h MET 8 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 2gqb h MET 8 CO 0.06 0.00 0.00 1.03 -0.00 0.00 0.00 176.91 178.00 2gqb h SER 9 N 0.00 0.00 0.00 -0.10 0.87 -1.73 -0.93 113.55 111.66 2gqb h SER 9 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2gqb h SER 9 Cb 0.38 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 2gqb h SER 9 CO 0.00 0.00 -2.20 0.00 -0.53 0.00 0.00 176.83 174.10 2gqb n ALA 10 N -1.87 1.58 -0.18 6.23 0.00 -0.95 -3.71 120.51 121.60 2gqb n ALA 10 Ca 0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 2gqb n ALA 10 Cb 0.20 0.15 0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.50 1.06 -0.59 0.00 2.04 -1.46 -1.98 117.51 116.09 2gqb h ILE 11 Ca -0.52 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2gqb h ILE 11 Cb 1.57 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2gqb h ILE 11 CO -0.24 0.12 0.00 0.49 0.00 0.00 0.00 178.15 178.52 2gqb n PHE 12 N -4.78 1.68 -2.56 1.37 3.72 -0.36 -4.36 117.46 112.17 2gqb n PHE 12 Ca 0.04 -0.68 -0.09 0.00 -0.05 0.00 0.00 57.45 56.67 2gqb n PHE 12 Cb 0.07 -0.36 0.04 0.00 -0.94 0.00 0.00 39.48 38.30 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gqb n GLY 13 N 0.78 3.36 3.66 1.37 0.00 -0.75 -4.99 105.19 108.62 2gqb n GLY 13 Ca 0.26 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2gqb n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gqb s ASP 14 N -3.68 6.55 -0.01 1.61 2.15 -1.19 -4.77 116.67 117.33 2gqb s ASP 14 Ca 0.35 2.33 0.01 0.00 0.43 0.00 0.00 52.55 55.68 2gqb s ASP 14 Cb 0.36 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2gqb s ASP 14 CO -0.02 -1.01 0.75 -1.54 -0.17 0.00 0.00 175.17 173.18 2gqb n SER 15 N 7.45 0.76 -0.68 -0.34 3.41 -1.26 -4.75 113.62 118.21 2gqb n SER 15 Ca 0.18 -1.55 0.08 0.00 -0.26 0.00 0.00 58.87 57.32 2gqb n SER 15 Cb 0.42 -0.05 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gqb n ALA 16 N -0.25 2.41 -3.29 7.33 0.00 -1.26 -4.97 120.51 120.48 2gqb n ALA 16 Ca 0.01 -0.78 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 2gqb n ALA 16 Cb 0.45 -0.54 0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.86 -1.35 -0.74 0.00 0.00 -1.26 -4.92 120.51 113.11 2gqb n ALA 17 Ca 0.11 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.78 2gqb n ALA 17 Cb 0.41 -3.43 0.26 0.00 0.00 0.00 0.00 19.45 16.69 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 -4.10 2.90 -1.69 0.00 0.00 -1.26 -4.94 120.51 111.42 2gqb n ALA 18 Ca -0.11 -1.90 -0.44 0.00 0.00 0.00 0.00 53.44 50.99 2gqb n ALA 18 Cb 0.59 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 0.06 2.95 -4.62 0.00 7.64 -1.26 -4.84 113.62 113.54 2gqb n SER 19 Ca 0.20 1.16 -0.49 0.00 1.01 0.00 0.00 58.87 60.76 2gqb n SER 19 Cb 0.81 -1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.61 1.84 0.00 1.43 -0.04 -1.26 -1.42 135.00 137.16 2gqb n PRO 20 Ca 0.09 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2gqb n PRO 20 Cb 0.34 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 5.03 0.53 2.20 0.55 0.00 -1.26 -4.98 105.19 107.25 2gqb n GLY 21 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 2gqb n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqb n GLY 22 N -0.00 3.67 2.42 -0.02 0.00 -0.51 -4.60 105.19 106.15 2gqb n GLY 22 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 0.31 1.20 0.39 4.61 0.00 -1.26 -4.89 121.76 122.12 2gqb s ALA 23 Ca 0.64 -2.21 0.08 0.00 0.00 0.00 0.00 51.96 50.47 2gqb s ALA 23 Cb 0.31 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2gqb s ALA 23 CO -0.07 -2.03 0.51 -0.65 0.00 0.00 0.00 175.76 173.52 2gqb s GLN 24 N 0.47 2.88 -0.41 0.00 1.11 -1.26 -5.09 119.66 117.36 2gqb s GLN 24 Ca 0.27 -1.21 -0.17 0.00 0.01 0.00 0.00 55.36 54.26 2gqb s GLN 24 Cb -0.07 -2.72 0.02 0.00 -1.01 0.00 0.00 33.01 29.22 2gqb s GLN 24 CO -0.11 -0.15 0.44 0.00 0.01 0.00 0.00 175.29 175.48 2gqb s ALA 25 N -2.31 3.43 0.13 6.09 0.00 -1.26 -5.04 121.76 122.80 2gqb s ALA 25 Ca 0.51 -1.45 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 2gqb s ALA 25 Cb -0.09 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 2gqb s ALA 25 CO 0.32 -1.53 1.74 -2.30 0.00 0.00 0.00 175.76 173.98 2gqb n PRO 26 N 5.61 2.54 -3.33 0.00 -0.02 -1.26 -4.98 135.00 133.56 2gqb n PRO 26 Ca -0.07 0.92 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 2gqb n PRO 26 Cb 0.48 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 2gqb n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gqb s ALA 27 N 1.95 3.53 -0.04 3.55 0.00 -1.26 -5.02 121.76 124.46 2gqb s ALA 27 Ca 0.80 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2gqb s ALA 27 Cb -0.57 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2gqb s ALA 27 CO 0.38 0.42 1.50 0.99 0.00 0.00 0.00 175.76 179.04 2gqb s THR 28 N -1.91 3.70 -0.17 0.00 2.01 -1.26 -4.91 115.64 113.11 2gqb s THR 28 Ca 0.48 0.97 -0.32 0.00 0.31 0.00 0.00 61.69 63.13 2gqb s THR 28 Cb -0.11 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2gqb s THR 28 CO 0.22 -0.05 2.08 0.41 -0.69 0.00 0.00 174.62 176.59 2gqb n THR 29 N 5.10 0.45 0.00 -0.82 -1.04 -1.26 -4.74 114.28 111.98 2gqb n THR 29 Ca 0.15 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2gqb n THR 29 Cb 0.43 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 2gqb n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gqb n GLY 30 N 5.32 2.23 0.81 3.41 0.00 -1.26 -4.99 105.19 110.71 2gqb n GLY 30 Ca 0.28 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.00 2.44 -0.82 4.61 0.00 -1.26 -3.78 120.51 118.70 2gqb n ALA 31 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 53.44 52.75 2gqb n ALA 31 Cb 0.00 -0.97 0.32 0.00 0.00 0.00 0.00 19.45 18.80 2gqb n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 32 N 0.78 3.24 -2.08 0.00 0.00 -1.26 -4.71 120.51 116.48 2gqb n ALA 32 Ca 0.15 -1.94 -0.38 0.00 0.00 0.00 0.00 53.44 51.27 2gqb n ALA 32 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2gqb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqb n GLY 33 N 0.29 5.41 3.45 0.00 0.00 -1.25 -4.89 105.19 108.20 2gqb n GLY 33 Ca 0.24 -2.28 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.23 4.83 0.15 2.61 -4.23 -1.26 -4.83 115.64 109.69 2gqb s THR 34 Ca 0.50 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2gqb s THR 34 Cb 0.28 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 69.33 2gqb s THR 34 CO -0.20 -1.51 0.00 0.00 -0.54 0.00 0.00 174.62 172.37 2gqb n ALA 35 N 6.23 -2.28 -1.99 3.99 0.00 -1.26 -4.77 120.51 120.43 2gqb n ALA 35 Ca 0.26 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 2gqb n ALA 35 Cb 0.48 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 2gqb n ALA 35 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gqb s PRO 36 N -4.09 2.54 -0.47 0.00 0.02 -1.26 -4.93 135.00 126.82 2gqb s PRO 36 Ca 0.00 0.52 -0.28 0.00 0.02 0.00 0.00 61.00 61.26 2gqb s PRO 36 Cb 0.00 -4.53 -0.01 0.00 0.02 0.00 0.00 34.50 29.98 2gqb s PRO 36 CO 0.00 -2.94 1.72 0.95 -0.33 0.00 0.00 177.00 176.40 2gqb s THR 37 N 9.67 3.53 -0.04 0.99 -4.23 -1.26 -4.97 115.64 119.33 2gqb s THR 37 Ca 0.71 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.70 2gqb s THR 37 Cb -0.12 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.82 2gqb s THR 37 CO 0.17 -0.72 -0.05 0.00 -0.54 0.00 0.00 174.62 173.48 2gqb s ALA 38 N 7.34 0.65 -0.35 3.99 0.00 -1.26 -5.11 121.76 127.01 2gqb s ALA 38 Ca 0.70 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 2gqb s ALA 38 Cb -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2gqb s ALA 38 CO 0.28 0.03 1.41 -2.14 0.00 0.00 0.00 175.76 175.33 2gqb s PRO 39 N 0.70 3.71 -0.13 0.00 0.02 -1.26 -4.94 135.00 133.10 2gqb s PRO 39 Ca -0.09 1.13 -0.25 0.00 0.02 0.00 0.00 61.00 61.81 2gqb s PRO 39 Cb -0.12 -3.98 -0.22 0.00 0.02 0.00 0.00 34.50 30.19 2gqb s PRO 39 CO 0.00 -1.39 0.68 1.96 -0.33 0.00 0.00 177.00 177.92 2gqb h GLN 40 N 10.28 -0.00 -5.59 5.54 1.08 -2.01 -3.44 115.11 120.96 2gqb h GLN 40 Ca -0.28 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.52 2gqb h GLN 40 Cb 1.11 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2gqb h GLN 40 CO 1.06 0.84 1.43 -1.25 -0.95 0.00 0.00 178.83 179.96 2gqb s PRO 41 N -2.19 2.04 -0.87 1.46 0.04 -1.26 -4.89 135.00 129.32 2gqb s PRO 41 Ca -0.16 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 2gqb s PRO 41 Cb -0.02 -4.61 0.16 0.00 0.04 0.00 0.00 34.50 30.06 2gqb s PRO 41 CO 0.59 -3.43 0.97 0.99 0.04 0.00 0.00 177.00 176.17 2gqb s THR 42 N 12.52 5.02 0.16 1.26 2.01 -1.26 -4.96 115.64 130.39 2gqb s THR 42 Ca 0.96 -1.81 -0.19 0.00 0.31 0.00 0.00 61.69 60.96 2gqb s THR 42 Cb -0.16 -4.65 0.04 0.00 0.01 0.00 0.00 72.50 67.74 2gqb s THR 42 CO 0.24 -1.32 0.52 0.00 -0.69 0.00 0.00 174.62 173.36 2gqb s ALA 43 N 1.87 -1.18 -0.39 7.40 0.00 -1.26 -5.14 121.76 123.07 2gqb s ALA 43 Ca 0.26 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.37 2gqb s ALA 43 Cb -0.08 0.81 0.18 0.00 0.00 0.00 0.00 23.12 24.03 2gqb s ALA 43 CO -0.08 -0.75 0.56 0.00 0.00 0.00 0.00 175.76 175.50 2gqb s ALA 44 N -3.81 -1.90 -1.18 0.00 0.00 -1.26 -5.01 121.76 108.60 2gqb s ALA 44 Ca 0.04 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.29 2gqb s ALA 44 Cb -0.00 -2.54 1.20 0.00 0.00 0.00 0.00 23.12 21.78 2gqb s ALA 44 CO -0.09 -2.15 1.86 -0.35 0.00 0.00 0.00 175.76 175.03 2gqb n PRO 45 N 4.51 0.16 -3.61 0.00 -0.04 -1.26 -4.58 135.00 130.18 2gqb n PRO 45 Ca 0.10 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 2gqb n PRO 45 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 2gqb n PRO 45 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2gqb s SER 46 N -2.82 1.10 -0.58 3.54 1.04 -1.26 -5.07 113.70 109.65 2gqb s SER 46 Ca 0.18 0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.45 2gqb s SER 46 Cb 0.17 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.60 2gqb s SER 46 CO 0.44 -0.28 0.91 -0.63 0.98 0.00 0.00 173.24 174.66 2gqb s ILE 47 N 2.29 4.42 -0.46 -1.02 -1.09 -1.03 -4.89 121.20 119.42 2gqb s ILE 47 Ca 0.04 -0.01 -0.28 0.00 -2.23 0.00 0.00 60.65 58.17 2gqb s ILE 47 Cb -0.14 -4.56 0.03 0.00 -1.58 0.00 0.00 42.46 36.22 2gqb s ILE 47 CO -0.08 -1.19 1.09 -0.62 -1.23 0.00 0.00 174.94 172.91 2gqb s ASP 48 N 3.09 6.63 0.31 3.58 -1.08 -1.26 0.89 116.67 128.82 2gqb s ASP 48 Ca 0.26 0.43 0.25 0.00 -0.52 0.00 0.00 52.55 52.97 2gqb s ASP 48 Cb -0.15 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.37 2gqb s ASP 48 CO 0.15 -1.18 1.68 0.58 0.52 0.00 0.00 175.17 176.93 2gqb h VAL 49 N 6.16 0.00 0.86 1.11 2.07 -1.73 -3.37 116.25 121.35 2gqb h VAL 49 Ca -0.23 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2gqb h VAL 49 Cb 1.06 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2gqb h VAL 49 CO 1.10 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 178.28 2gqb h ALA 50 N 2.28 -1.15 -0.20 1.67 0.00 -1.90 -2.49 119.26 117.48 2gqb h ALA 50 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2gqb h ALA 50 Cb 0.86 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2gqb h ALA 50 CO 0.00 -1.13 -0.15 -1.00 0.00 0.00 0.00 179.25 176.97 2gqb h PRO 51 N -1.17 0.33 0.02 0.00 0.13 -1.97 -0.31 132.00 129.03 2gqb h PRO 51 Ca -0.12 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2gqb h PRO 51 Cb 0.88 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 2gqb h PRO 51 CO 0.19 0.48 -0.09 0.82 -0.23 0.00 0.00 178.00 179.18 2gqb h ILE 52 N 0.31 0.79 0.00 -3.56 2.04 -1.68 -1.59 117.51 113.81 2gqb h ILE 52 Ca 0.06 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.76 2gqb h ILE 52 Cb 0.45 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2gqb h ILE 52 CO 0.03 0.00 -0.92 -0.07 0.00 0.00 0.00 178.15 177.19 2gqb h LEU 53 N -0.16 0.00 -1.26 1.44 3.38 -1.35 -1.86 115.31 115.50 2gqb h LEU 53 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2gqb h LEU 53 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2gqb h LEU 53 CO -0.07 0.65 0.21 -0.78 0.09 0.00 0.00 178.44 178.54 2gqb h ASP 54 N 0.00 0.65 0.79 -0.43 3.58 -0.85 -1.42 116.42 118.73 2gqb h ASP 54 Ca -0.07 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 2gqb h ASP 54 Cb 1.56 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2gqb h ASP 54 CO 0.07 0.58 -1.26 0.29 -2.88 0.00 0.00 179.24 176.05 2gqb n LYS 55 N -4.36 0.62 0.23 0.28 4.76 -0.61 -3.71 118.16 115.37 2gqb n LYS 55 Ca 0.04 0.12 0.07 0.00 -2.87 0.00 0.00 58.31 55.67 2gqb n LYS 55 Cb 0.15 -1.79 0.54 0.00 -1.84 0.00 0.00 35.03 32.09 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 1.79 1.60 -0.31 7.82 0.00 -0.68 0.10 119.26 129.57 2gqb h ALA 56 Ca -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2gqb h ALA 56 Cb 1.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2gqb h ALA 56 CO 0.02 0.22 0.19 0.28 0.00 0.00 0.00 179.25 179.96 2gqb h VAL 57 N 0.00 1.04 0.00 0.00 2.07 -1.36 0.72 116.25 118.72 2gqb h VAL 57 Ca -0.00 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2gqb h VAL 57 Cb 0.34 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2gqb h VAL 57 CO 0.02 0.07 -0.45 0.11 0.02 0.00 0.00 177.57 177.34 2gqb h LYS 58 N 0.38 0.00 0.00 1.57 1.57 -1.44 -1.97 116.57 116.69 2gqb h LYS 58 Ca 0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2gqb h LYS 58 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2gqb h LYS 58 CO -0.05 0.45 -0.25 0.00 -0.57 0.00 0.00 179.45 179.04 2gqb h ALA 59 N 1.55 0.91 0.08 3.86 0.00 -0.51 -3.20 119.26 121.94 2gqb h ALA 59 Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2gqb h ALA 59 Cb 0.82 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.59 2gqb h ALA 59 CO 0.06 0.31 -0.72 -0.22 0.00 0.00 0.00 179.25 178.68 2gqb h LYS 60 N 0.00 0.35 0.00 0.00 1.63 -0.20 -3.49 116.57 114.86 2gqb h LYS 60 Ca -0.00 -0.48 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2gqb h LYS 60 Cb 0.97 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2gqb h LYS 60 CO 0.03 1.18 0.00 0.41 -3.45 0.00 0.00 179.45 177.62 2gqb n GLY 61 N 1.39 1.44 3.86 5.01 0.00 -0.80 -5.11 105.19 110.97 2gqb n GLY 61 Ca -0.12 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 2.28 -0.12 1.61 -1.05 -1.25 -4.86 118.70 115.31 2gqb s GLU 62 Ca 0.00 -1.95 -0.29 0.00 -0.15 0.00 0.00 54.97 52.57 2gqb s GLU 62 Cb 0.00 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.59 2gqb s GLU 62 CO 0.00 -0.45 1.48 0.21 0.95 0.00 0.00 175.26 177.45 2gqb s LYS 63 N -4.16 4.17 0.24 -4.83 2.36 -1.26 -4.52 119.74 111.74 2gqb s LYS 63 Ca 0.35 1.91 0.01 0.00 -2.55 0.00 0.00 55.97 55.69 2gqb s LYS 63 Cb -0.01 -3.89 -0.04 0.00 -1.05 0.00 0.00 37.83 32.83 2gqb s LYS 63 CO 0.21 -0.82 0.13 -0.51 1.55 0.00 0.00 175.35 175.90 2gqb s LEU 64 N 3.90 1.43 -0.41 5.43 1.43 -1.26 -5.13 118.68 124.06 2gqb s LEU 64 Ca 0.65 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 2gqb s LEU 64 Cb -0.27 0.22 0.17 0.00 0.03 0.00 0.00 46.19 46.33 2gqb s LEU 64 CO 0.23 -0.81 0.39 -1.83 0.23 0.00 0.00 176.35 174.57 2gqb s GLU 65 N -4.04 0.84 0.58 1.70 1.03 -1.26 -4.96 118.70 112.59 2gqb s GLU 65 Ca 0.38 -1.62 0.37 0.00 0.03 0.00 0.00 54.97 54.13 2gqb s GLU 65 Cb 0.07 -1.05 2.01 0.00 -0.80 0.00 0.00 34.13 34.36 2gqb s GLU 65 CO 0.14 -1.32 2.13 0.11 -1.33 0.00 0.00 175.26 174.98 2gqb h TRP 66 N 5.95 0.00 0.00 4.83 5.08 -1.92 0.42 115.95 130.31 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 0.98 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 2gqb h TRP 66 CO 0.27 0.00 0.00 -0.09 -1.28 0.00 0.00 178.44 177.34 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 2.43 -1.99 -3.25 114.38 111.69 2gqb h ARG 67 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gqb h ARG 67 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2gqb h ARG 67 CO 0.00 0.00 -0.64 -2.37 -1.51 0.00 0.00 179.97 175.45 2gqb n THR 68 N -2.92 0.00 -3.44 0.20 5.66 -0.84 -4.88 114.28 108.06 2gqb n THR 68 Ca 0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.59 2gqb n THR 68 Cb 0.27 -0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 68.52 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 -2.07 6.12 0.29 1.09 0.01 0.08 -4.91 113.70 114.31 2gqb s SER 69 Ca 0.00 -0.61 0.12 0.00 1.31 0.00 0.00 55.95 56.77 2gqb s SER 69 Cb 0.00 -2.17 0.39 0.00 0.21 0.00 0.00 66.02 64.45 2gqb s SER 69 CO 0.00 -0.40 1.62 -0.29 0.41 0.00 0.00 173.24 174.58 2gqb h ILE 70 N 5.60 1.33 -0.04 1.44 6.09 -1.85 -2.89 117.51 127.18 2gqb h ILE 70 Ca -0.29 -2.06 -0.08 0.00 -1.37 0.00 0.00 64.86 61.06 2gqb h ILE 70 Cb 1.13 2.14 -0.01 0.00 0.47 0.00 0.00 36.82 40.55 2gqb h ILE 70 CO 0.71 0.57 -0.35 0.58 -3.07 0.00 0.00 178.15 176.60 2gqb h VAL 71 N 0.00 1.26 0.49 2.19 2.07 -1.94 -3.15 116.25 117.17 2gqb h VAL 71 Ca -0.01 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2gqb h VAL 71 Cb 1.09 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2gqb h VAL 71 CO 0.08 0.36 -0.23 -0.78 0.02 0.00 0.00 177.57 177.01 2gqb h ASP 72 N 0.06 -0.55 -0.17 0.57 3.58 -1.86 -2.76 116.42 115.28 2gqb h ASP 72 Ca 0.01 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.52 2gqb h ASP 72 Cb 0.64 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2gqb h ASP 72 CO 0.05 -0.37 0.18 0.17 -2.88 0.00 0.00 179.24 176.39 2gqb h LEU 73 N -0.71 0.00 -0.45 2.28 8.10 -1.64 0.11 115.31 122.99 2gqb h LEU 73 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 2gqb h LEU 73 Cb 0.50 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 2gqb h LEU 73 CO 0.11 0.00 0.19 -0.03 -4.11 0.00 0.00 178.44 174.60 2gqb h MET 74 N 0.00 0.67 0.07 0.17 4.05 -1.48 -2.82 114.93 115.59 2gqb h MET 74 Ca 0.08 -0.11 -0.26 0.00 -0.28 0.00 0.00 59.70 59.13 2gqb h MET 74 Cb 0.43 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2gqb h MET 74 CO -0.00 0.59 -1.12 1.57 0.23 0.00 0.00 176.91 178.19 2gqb h LYS 75 N 0.58 0.43 -0.65 0.39 2.10 -0.73 -2.75 116.57 115.94 2gqb h LYS 75 Ca 0.15 -0.56 0.06 0.00 -2.00 0.00 0.00 60.65 58.30 2gqb h LYS 75 Cb 0.17 0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 31.64 2gqb h LYS 75 CO -0.01 1.21 0.43 0.00 -2.00 0.00 0.00 179.45 179.08 2gqb h ALA 76 N 0.57 1.75 -1.03 0.07 0.00 -1.18 -3.20 119.26 116.24 2gqb h ALA 76 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gqb h ALA 76 Cb 1.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2gqb h ALA 76 CO 0.20 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.88 2gqb n LEU 77 N -4.47 0.63 -0.66 0.00 7.99 -1.07 -4.76 117.00 114.65 2gqb n LEU 77 Ca 0.09 0.53 -0.03 0.00 -0.01 0.00 0.00 56.01 56.59 2gqb n LEU 77 Cb 0.21 -0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 43.17 2gqb n LEU 77 CO 0.34 -0.33 0.15 -0.67 -1.51 0.00 0.00 177.39 175.37 2gqb n ASP 78 N -1.48 -0.38 -4.36 -1.43 2.03 -1.21 -5.13 116.55 104.59 2gqb n ASP 78 Ca 0.00 -0.82 -0.28 0.00 0.52 0.00 0.00 54.79 54.21 2gqb n ASP 78 Cb 0.00 0.12 -0.13 0.00 -0.72 0.00 0.00 41.12 40.39 2gqb n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2gqb s ILE 79 N 0.00 2.11 0.38 5.18 -1.09 -1.04 -5.02 121.20 121.72 2gqb s ILE 79 Ca 0.00 -1.69 0.07 0.00 -2.23 0.00 0.00 60.65 56.79 2gqb s ILE 79 Cb 0.00 -1.88 0.29 0.00 -1.58 0.00 0.00 42.46 39.29 2gqb s ILE 79 CO 0.00 0.06 2.00 0.44 -1.23 0.00 0.00 174.94 176.20 2gqb h ASP 80 N 3.95 0.59 0.00 3.58 5.19 -1.90 -3.36 116.42 124.47 2gqb h ASP 80 Ca -0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2gqb h ASP 80 Cb 1.17 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2gqb h ASP 80 CO 0.39 0.40 0.00 -1.54 -3.12 0.00 0.00 179.24 175.37 2gqb n SER 81 N -4.47 -4.00 -2.29 6.45 3.41 -1.26 -4.93 113.62 106.54 2gqb n SER 81 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2gqb n SER 81 Cb 0.17 -2.71 0.03 0.00 -0.26 0.00 0.00 64.21 61.44 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 -0.60 0.06 -0.35 4.04 2.88 -1.26 -4.71 113.62 113.67 2gqb n SER 82 Ca 0.00 -1.09 0.08 0.00 -1.33 0.00 0.00 58.87 56.53 2gqb n SER 82 Cb 0.30 -0.13 0.26 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.90 -1.02 2.46 7.12 -1.99 0.38 115.31 123.16 2gqb h LEU 83 Ca -0.06 0.05 0.14 0.00 0.13 0.00 0.00 57.88 58.14 2gqb h LEU 83 Cb 0.17 -0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 40.07 2gqb h LEU 83 CO 0.04 0.48 0.63 0.28 -0.13 0.00 0.00 178.44 179.74 2gqb h SER 84 N 0.96 0.88 0.06 1.25 0.02 -1.99 0.74 113.55 115.47 2gqb h SER 84 Ca 0.49 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.50 2gqb h SER 84 Cb 0.51 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2gqb h SER 84 CO -0.26 0.43 -0.03 0.00 -1.14 0.00 0.00 176.83 175.84 2gqb h ALA 85 N 1.57 -0.07 0.00 3.77 0.00 -1.25 -2.88 119.26 120.39 2gqb h ALA 85 Ca 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2gqb h ALA 85 Cb 0.61 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gqb h ALA 85 CO -0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 2gqb h ARG 86 N -0.76 0.00 0.14 0.00 -0.00 -1.16 -1.54 114.38 111.06 2gqb h ARG 86 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2gqb h ARG 86 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 2gqb h ARG 86 CO 0.01 0.04 -0.06 -0.22 0.00 0.00 0.00 179.97 179.74 2gqb h LYS 87 N 0.00 -0.17 -0.04 0.04 1.63 -0.83 -3.05 116.57 114.14 2gqb h LYS 87 Ca -0.00 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2gqb h LYS 87 Cb 0.24 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2gqb h LYS 87 CO 0.01 0.29 -0.07 1.05 -3.45 0.00 0.00 179.45 177.27 2gqb h GLU 88 N -0.80 0.12 -0.86 1.90 4.11 -1.31 -3.02 114.58 114.73 2gqb h GLU 88 Ca -0.02 -0.08 0.16 0.00 0.07 0.00 0.00 59.36 59.49 2gqb h GLU 88 Cb 0.54 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 2gqb h GLU 88 CO 0.03 0.64 0.43 1.25 0.07 0.00 0.00 179.01 181.44 2gqb h LEU 89 N -0.39 0.50 -0.17 3.06 5.85 -1.42 -0.79 115.31 121.95 2gqb h LEU 89 Ca 0.00 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2gqb h LEU 89 Cb 0.64 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2gqb h LEU 89 CO 0.02 0.19 -0.23 0.00 -0.34 0.00 0.00 178.44 178.07 2gqb h ALA 90 N 1.58 0.25 -0.00 1.25 0.00 -1.59 -3.15 119.26 117.61 2gqb h ALA 90 Ca 0.48 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2gqb h ALA 90 Cb 0.72 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2gqb h ALA 90 CO -0.39 0.22 -0.62 1.57 0.00 0.00 0.00 179.25 180.03 2gqb h LYS 91 N 0.09 0.00 -0.48 0.00 2.10 -1.19 0.42 116.57 117.51 2gqb h LYS 91 Ca 0.02 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.57 2gqb h LYS 91 Cb 0.80 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.11 2gqb h LYS 91 CO 0.05 0.62 -0.08 0.93 -2.00 0.00 0.00 179.45 178.97 2gqb h GLU 92 N 0.00 0.86 0.00 0.07 4.39 -1.22 -2.49 114.58 116.20 2gqb h GLU 92 Ca -0.01 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2gqb h GLU 92 Cb 1.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2gqb h GLU 92 CO 0.08 0.92 0.00 -0.07 -1.16 0.00 0.00 179.01 178.78 2gqb h LEU 93 N 0.78 0.00 0.00 1.33 3.38 -1.46 -3.47 115.31 115.87 2gqb h LEU 93 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2gqb h LEU 93 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2gqb h LEU 93 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2gqb n GLY 94 N 1.08 0.62 3.56 0.83 0.00 -0.83 -5.01 105.19 105.44 2gqb n GLY 94 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2gqb n GLY 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gqb s TYR 95 N -1.01 1.74 -0.30 1.61 5.04 0.08 -4.91 117.35 119.61 2gqb s TYR 95 Ca 0.00 0.69 0.02 0.00 -2.44 0.00 0.00 57.07 55.34 2gqb s TYR 95 Cb 0.00 -4.08 0.09 0.00 0.35 0.00 0.00 41.96 38.32 2gqb s TYR 95 CO 0.00 -2.03 0.02 0.45 -1.34 0.00 0.00 175.55 172.65 2gqb s SER 96 N 8.01 4.34 0.00 4.32 0.15 -1.26 -4.82 113.70 124.43 2gqb s SER 96 Ca 0.68 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2gqb s SER 96 Cb -0.10 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2gqb s SER 96 CO 0.10 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2gqb n GLY 97 N 4.51 0.76 0.28 9.45 0.00 -1.26 -5.07 105.19 113.86 2gqb n GLY 97 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.03 0.00 0.00 1.61 -0.08 -1.26 -4.94 116.55 111.84 2gqb n ASP 98 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 2gqb n ASP 98 Cb 0.00 0.07 0.46 0.00 2.34 0.00 0.00 41.12 43.99 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 2gqb n MET 99 N -1.63 0.11 0.20 -0.67 0.00 -1.26 -2.56 117.12 111.31 2gqb n MET 99 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 57.70 57.95 2gqb n MET 99 Cb 0.00 -1.50 0.20 0.00 0.00 0.00 0.00 33.22 31.92 2gqb n MET 99 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 2gqb h ASN 100 N 0.00 0.00 -0.17 3.17 -1.07 -1.99 -3.50 115.58 112.02 2gqb h ASN 100 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2gqb h ASN 100 Cb 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 2gqb h ASN 100 CO 0.00 0.00 0.00 -0.67 0.07 0.00 0.00 177.43 176.83 2gqb n ASP 101 N -2.98 -3.32 0.20 6.14 -0.08 -1.06 -2.17 116.55 113.28 2gqb n ASP 101 Ca 0.04 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.44 2gqb n ASP 101 Cb 0.52 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.12 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 0.00 0.00 0.62 1.67 0.02 -1.95 -3.22 113.55 110.68 2gqb h SER 102 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2gqb h SER 102 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2gqb h SER 102 CO 0.00 0.03 -0.30 0.00 -1.14 0.00 0.00 176.83 175.42 2gqb h ALA 103 N 1.97 -1.02 0.00 3.77 0.00 -1.99 -2.95 119.26 119.04 2gqb h ALA 103 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gqb h ALA 103 Cb 1.02 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2gqb h ALA 103 CO 0.00 -0.96 0.00 0.77 0.00 0.00 0.00 179.25 179.06 2gqb h SER 104 N -0.98 0.00 -0.38 0.00 0.02 -1.60 -3.09 113.55 107.52 2gqb h SER 104 Ca -0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2gqb h SER 104 Cb 0.63 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2gqb h SER 104 CO 0.14 0.00 0.15 -0.03 -1.14 0.00 0.00 176.83 175.94 2gqb h MET 105 N 0.00 0.58 -0.14 3.45 -1.53 -1.54 0.36 114.93 116.11 2gqb h MET 105 Ca 0.00 -0.11 -0.17 0.00 -3.44 0.00 0.00 59.70 55.98 2gqb h MET 105 Cb 0.51 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.46 2gqb h MET 105 CO 0.00 0.56 -0.62 -0.97 0.14 0.00 0.00 176.91 176.02 2gqb h ASN 106 N 0.47 0.57 0.25 1.39 -1.24 -1.44 -2.38 115.58 113.21 2gqb h ASN 106 Ca 0.13 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 2gqb h ASN 106 Cb 0.20 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2gqb h ASN 106 CO -0.01 1.05 -0.12 0.40 -1.29 0.00 0.00 177.43 177.46 2gqb h ILE 107 N 0.37 0.80 -0.06 2.57 2.04 -1.50 -2.24 117.51 119.50 2gqb h ILE 107 Ca -0.01 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2gqb h ILE 107 Cb 1.18 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2gqb h ILE 107 CO 0.11 0.10 0.02 -0.25 0.00 0.00 0.00 178.15 178.13 2gqb h TRP 108 N -0.58 0.10 -0.78 1.37 7.01 -1.00 -3.10 115.95 118.98 2gqb h TRP 108 Ca -0.03 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2gqb h TRP 108 Cb 0.42 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 2gqb h TRP 108 CO 0.01 0.27 0.39 1.25 -2.79 0.00 0.00 178.44 177.57 2gqb h LEU 109 N -0.11 0.99 -1.63 0.65 5.85 -1.49 -1.10 115.31 118.47 2gqb h LEU 109 Ca 0.02 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2gqb h LEU 109 Cb 0.22 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2gqb h LEU 109 CO -0.00 0.82 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.97 2gqb h HIS 110 N 1.09 0.00 0.10 1.25 2.76 -1.36 -1.35 115.15 117.64 2gqb h HIS 110 Ca 0.27 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.22 2gqb h HIS 110 Cb 0.08 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 2gqb h HIS 110 CO 0.01 0.21 -1.11 0.87 -1.30 0.00 0.00 177.93 176.60 2gqb h LYS 111 N 0.00 0.21 -0.22 5.26 1.57 -1.27 -3.21 116.57 118.90 2gqb h LYS 111 Ca -0.00 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2gqb h LYS 111 Cb 0.41 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2gqb h LYS 111 CO 0.03 1.17 0.02 0.37 -0.57 0.00 0.00 179.45 180.47 2gqb h GLN 112 N -0.46 0.37 -0.97 3.15 5.75 -1.04 -1.40 115.11 120.51 2gqb h GLN 112 Ca -0.24 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.20 2gqb h GLN 112 Cb 1.61 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 30.06 2gqb h GLN 112 CO 0.05 0.53 0.63 0.28 -2.65 0.00 0.00 178.83 177.67 2gqb h VAL 113 N 0.15 1.16 -0.02 2.39 2.07 -1.44 -2.05 116.25 118.51 2gqb h VAL 113 Ca 0.06 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2gqb h VAL 113 Cb 0.35 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2gqb h VAL 113 CO 0.01 0.22 -0.32 -0.03 0.02 0.00 0.00 177.57 177.47 2gqb h MET 114 N 1.21 0.04 0.00 1.57 1.85 -1.45 -0.34 114.93 117.82 2gqb h MET 114 Ca 0.39 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.47 2gqb h MET 114 Cb 0.02 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.05 2gqb h MET 114 CO -0.13 0.36 0.00 0.43 -0.40 0.00 0.00 176.91 177.17 2gqb n SER 115 N -4.15 0.49 -0.11 1.39 7.64 -0.57 -0.43 113.62 117.89 2gqb n SER 115 Ca -0.02 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.55 2gqb n SER 115 Cb 0.37 -0.70 0.02 0.00 -1.01 0.00 0.00 64.21 62.89 2gqb n SER 115 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2gqb n LYS 116 N -2.00 0.28 -0.04 1.43 4.01 -0.20 -4.14 118.16 117.50 2gqb n LYS 116 Ca 0.04 -0.22 -0.04 0.00 -0.51 0.00 0.00 58.31 57.58 2gqb n LYS 116 Cb 0.30 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.31 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2gqb n LEU 117 N -1.17 1.04 0.24 -0.35 7.94 -0.50 -4.64 117.00 119.56 2gqb n LEU 117 Ca 0.06 0.17 0.16 0.00 -1.11 0.00 0.00 56.01 55.29 2gqb n LEU 117 Cb 0.36 -0.56 0.67 0.00 0.53 0.00 0.00 43.42 44.42 2gqb n LEU 117 CO 0.37 -0.42 0.97 -0.37 -1.11 0.00 0.00 177.39 176.83 2gqb h VAL 118 N -0.47 0.00 0.00 1.96 -1.51 -1.01 -2.21 116.25 113.01 2gqb h VAL 118 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2gqb h VAL 118 Cb 0.47 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 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 -1.99 1.41 1.84 5.19 0.00 -1.26 -0.60 120.51 125.10 2gqb n ALA 119 Ca 0.01 0.11 0.16 0.00 0.00 0.00 0.00 53.44 53.71 2gqb n ALA 119 Cb 0.26 -1.32 0.88 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.13 0.10 0.00 0.00 3.02 -0.83 -4.80 115.26 110.62 2gqb n ASN 120 Ca 0.01 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2gqb n ASN 120 Cb 0.14 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gqb n GLY 121 N 1.07 1.78 3.72 7.41 0.00 -0.45 -5.06 105.19 113.66 2gqb n GLY 121 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 2.48 -0.09 -0.02 0.00 0.23 -2.46 107.32 105.47 2gqb s GLY 122 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 2gqb s GLY 122 CO 0.00 0.91 0.42 1.25 0.00 0.00 0.00 173.10 175.68 2gqb s LYS 123 N 0.63 4.20 0.02 2.90 2.36 0.26 -4.69 119.74 125.42 2gqb s LYS 123 Ca 0.30 0.36 0.03 0.00 -2.55 0.00 0.00 55.97 54.11 2gqb s LYS 123 Cb -0.16 -3.37 -0.01 0.00 -1.05 0.00 0.00 37.83 33.23 2gqb s LYS 123 CO 0.13 0.33 -0.08 -0.48 1.55 0.00 0.00 175.35 176.80 2gqb s LEU 124 N 0.09 2.13 1.07 5.43 -0.00 -1.26 -1.92 118.68 124.22 2gqb s LEU 124 Ca 0.23 -0.34 -0.13 0.00 -0.00 0.00 0.00 54.13 53.90 2gqb s LEU 124 Cb -0.15 -0.31 0.23 0.00 -0.00 0.00 0.00 46.19 45.96 2gqb s LEU 124 CO 0.10 -0.04 1.07 -2.16 -0.00 0.00 0.00 176.35 175.32 2gqb s PRO 125 N -0.86 -0.15 0.00 1.48 0.04 -1.26 -4.86 135.00 129.39 2gqb s PRO 125 Ca -0.02 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2gqb s PRO 125 Cb -0.06 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.83 2gqb s PRO 125 CO 0.00 -3.13 0.27 -2.30 0.04 0.00 0.00 177.00 171.88 2gqb n PRO 126 N -4.46 0.23 0.14 0.56 -0.02 -1.26 -2.56 135.00 127.62 2gqb n PRO 126 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 2gqb n PRO 126 Cb 0.57 -1.02 0.16 0.00 -0.02 0.00 0.00 33.50 33.18 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 -5.68 -0.52 4.39 -1.98 -3.46 114.58 107.33 2gqb h GLU 127 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2gqb h GLU 127 Cb 0.00 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.51 2gqb h GLU 127 CO 0.00 0.62 -0.67 0.42 -1.16 0.00 0.00 179.01 178.23 2gqb s ILE 128 N -3.51 1.89 -0.82 3.13 1.01 -1.06 -4.82 121.20 117.02 2gqb s ILE 128 Ca -0.01 -2.14 -0.04 0.00 0.00 0.00 0.00 60.65 58.46 2gqb s ILE 128 Cb 0.12 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 2gqb s ILE 128 CO 0.76 -0.21 0.73 0.29 0.00 0.00 0.00 174.94 176.50 2gqb n LYS 129 N -0.71 -1.72 0.00 2.79 4.76 -1.26 -4.93 118.16 117.08 2gqb n LYS 129 Ca -0.05 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2gqb n LYS 129 Cb 0.64 -5.07 0.00 0.00 -1.84 0.00 0.00 35.03 28.76 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61