#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 -1.73 -0.19 6.12 7.64 -1.26 -4.95 113.62 119.25 2gqb n SER 2 Ca 0.00 -3.52 -0.03 0.00 1.01 0.00 0.00 58.87 56.33 2gqb n SER 2 Cb 0.00 1.42 0.08 0.00 -1.01 0.00 0.00 64.21 64.70 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 2.60 0.92 0.00 0.44 2.04 -1.95 -0.46 117.51 121.10 2gqb h ILE 3 Ca -0.07 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2gqb h ILE 3 Cb 1.09 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2gqb h ILE 3 CO 0.19 0.10 -0.01 2.19 0.00 0.00 0.00 178.15 180.61 2gqb h PHE 4 N 0.53 0.00 0.00 1.37 -5.15 -1.96 0.62 116.94 112.35 2gqb h PHE 4 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 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 -0.11 0.01 -0.69 0.41 -2.00 0.00 0.00 178.31 175.93 2gqb n GLY 5 N -0.82 -1.35 0.09 6.09 0.00 -0.25 -3.06 105.19 105.89 2gqb n GLY 5 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 0.04 0.01 1.61 1.57 -0.19 -3.37 116.57 116.23 2gqb h LYS 6 Ca 0.00 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 2gqb h LYS 6 Cb 0.71 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2gqb h LYS 6 CO 0.00 0.60 -1.22 -0.84 -0.57 0.00 0.00 179.45 177.41 2gqb h ILE 7 N 0.01 1.45 0.00 1.86 3.07 -1.39 -3.32 117.51 119.19 2gqb h ILE 7 Ca -0.30 -3.19 0.00 0.00 1.55 0.00 0.00 64.86 62.92 2gqb h ILE 7 Cb 2.01 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 41.29 2gqb h ILE 7 CO 0.08 0.83 0.00 0.00 -1.05 0.00 0.00 178.15 178.01 2gqb h MET 8 N 0.00 0.00 0.00 0.16 -0.00 -1.70 -1.56 114.93 111.83 2gqb h MET 8 Ca -0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 2gqb h MET 8 Cb 1.85 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.45 2gqb h MET 8 CO 0.12 0.00 -0.17 0.77 -0.00 0.00 0.00 176.91 177.63 2gqb h SER 9 N 0.00 0.00 0.55 -0.10 0.02 -1.72 0.33 113.55 112.63 2gqb h SER 9 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2gqb h SER 9 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2gqb h SER 9 CO 0.00 0.17 -1.55 0.00 -1.14 0.00 0.00 176.83 174.30 2gqb n ALA 10 N -2.22 2.18 -0.07 3.77 0.00 -0.61 -3.31 120.51 120.26 2gqb n ALA 10 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 2gqb n ALA 10 Cb 0.36 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2gqb n ALA 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gqb h ILE 11 N 0.00 0.27 -0.21 0.00 2.04 -1.21 -3.39 117.51 115.01 2gqb h ILE 11 Ca -0.14 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2gqb h ILE 11 Cb 1.42 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2gqb h ILE 11 CO 0.02 0.09 0.00 0.49 0.00 0.00 0.00 178.15 178.76 2gqb n PHE 12 N -4.65 0.28 -0.09 1.37 3.01 0.11 -3.23 117.46 114.27 2gqb n PHE 12 Ca -0.08 -0.14 0.09 0.00 1.01 0.00 0.00 57.45 58.32 2gqb n PHE 12 Cb 0.25 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.93 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 0.92 2.21 3.63 1.37 0.00 -1.21 -4.94 105.19 107.16 2gqb n GLY 13 Ca 0.10 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.08 6.84 0.00 1.61 2.15 -1.20 -4.76 116.67 120.23 2gqb s ASP 14 Ca 0.33 0.96 0.02 0.00 0.43 0.00 0.00 52.55 54.29 2gqb s ASP 14 Cb 0.18 -2.47 0.04 0.00 -0.30 0.00 0.00 42.92 40.36 2gqb s ASP 14 CO 0.24 -0.68 0.88 -1.20 -0.17 0.00 0.00 175.17 174.24 2gqb n SER 15 N 6.38 0.05 0.00 -0.34 7.64 -1.26 -4.88 113.62 121.20 2gqb n SER 15 Ca 0.08 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2gqb n SER 15 Cb 0.47 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gqb n ALA 16 N 0.04 0.00 -0.14 -0.43 0.00 -1.26 -4.98 120.51 113.74 2gqb n ALA 16 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2gqb n ALA 16 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.12 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb h ALA 17 N 0.00 0.55 -1.55 0.00 0.00 -1.90 -3.43 119.26 112.94 2gqb h ALA 17 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gqb h ALA 17 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2gqb h ALA 17 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2gqb n ALA 18 N -2.39 2.48 -2.74 0.00 0.00 -1.26 -5.05 120.51 111.55 2gqb n ALA 18 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2gqb n ALA 18 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.73 -7.97 -4.68 0.00 7.64 -1.26 -4.90 113.62 100.72 2gqb n SER 19 Ca 0.00 1.41 -0.42 0.00 1.01 0.00 0.00 58.87 60.87 2gqb n SER 19 Cb 0.00 -5.23 -0.03 0.00 -1.01 0.00 0.00 64.21 57.95 2gqb n SER 19 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2gqb s PRO 20 N -1.61 4.24 0.00 1.43 0.04 -1.26 -4.27 135.00 133.57 2gqb s PRO 20 Ca -0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2gqb s PRO 20 Cb 0.00 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2gqb s PRO 20 CO 0.76 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.55 2gqb n GLY 21 N 3.80 -2.50 2.59 0.56 0.00 -1.26 -4.82 105.19 103.55 2gqb n GLY 21 Ca 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.03 2.74 3.90 -0.02 0.00 -1.26 -4.98 105.19 105.54 2gqb n GLY 22 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.14 3.48 0.19 4.61 0.00 -1.26 -5.09 121.76 122.56 2gqb s ALA 23 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 2gqb s ALA 23 Cb 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 2gqb s ALA 23 CO 0.00 -0.06 0.47 -0.65 0.00 0.00 0.00 175.76 175.52 2gqb s GLN 24 N -4.12 3.71 0.13 0.00 -0.21 -1.26 -5.06 119.66 112.85 2gqb s GLN 24 Ca 0.47 0.09 -0.31 0.00 0.02 0.00 0.00 55.36 55.63 2gqb s GLN 24 Cb -0.10 -2.74 -0.08 0.00 1.00 0.00 0.00 33.01 31.09 2gqb s GLN 24 CO 0.36 0.39 1.33 0.00 -2.12 0.00 0.00 175.29 175.25 2gqb s ALA 25 N -1.75 3.54 -0.50 6.09 0.00 -1.26 -4.89 121.76 122.99 2gqb s ALA 25 Ca 0.44 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 2gqb s ALA 25 Cb -0.12 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2gqb s ALA 25 CO 0.23 -0.56 2.38 -2.30 0.00 0.00 0.00 175.76 175.51 2gqb n PRO 26 N 3.54 0.99 -4.45 0.00 -0.02 -1.26 -4.91 135.00 128.88 2gqb n PRO 26 Ca 0.09 0.15 -0.22 0.00 -2.02 0.00 0.00 63.50 61.50 2gqb n PRO 26 Cb 0.43 -2.79 -0.09 0.00 -0.02 0.00 0.00 33.50 31.03 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 9.71 2.49 -0.31 3.55 0.00 -1.26 -5.10 121.76 130.84 2gqb s ALA 27 Ca 1.09 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2gqb s ALA 27 Cb -0.59 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 2gqb s ALA 27 CO 0.38 -0.35 1.42 0.99 0.00 0.00 0.00 175.76 178.20 2gqb s THR 28 N -3.34 3.96 0.10 0.00 2.01 -1.26 -4.99 115.64 112.11 2gqb s THR 28 Ca 0.31 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.41 2gqb s THR 28 Cb 0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2gqb s THR 28 CO 0.15 -0.50 -0.10 0.28 -0.69 0.00 0.00 174.62 173.76 2gqb s THR 29 N 4.90 0.96 -0.01 -0.82 -1.32 -1.26 -5.12 115.64 112.98 2gqb s THR 29 Ca 0.62 -1.67 -0.30 0.00 -1.21 0.00 0.00 61.69 59.13 2gqb s THR 29 Cb -0.18 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2gqb s THR 29 CO 0.27 -0.57 1.24 -0.83 -2.21 0.00 0.00 174.62 172.52 2gqb s GLY 30 N -2.49 2.15 0.00 6.08 0.00 -1.26 -4.90 107.32 106.90 2gqb s GLY 30 Ca 0.06 0.74 0.20 0.00 0.00 0.00 0.00 44.72 45.73 2gqb s GLY 30 CO 0.00 2.22 1.48 0.00 0.00 0.00 0.00 173.10 176.79 2gqb n ALA 31 N 4.83 2.48 -2.26 3.20 0.00 -1.26 -4.88 120.51 122.63 2gqb n ALA 31 Ca 0.11 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 2gqb n ALA 31 Cb 0.46 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.67 3.57 0.00 0.00 0.00 -1.26 -4.52 121.76 117.88 2gqb s ALA 32 Ca 0.33 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2gqb s ALA 32 Cb 0.18 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2gqb s ALA 32 CO 0.26 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2gqb n GLY 33 N 3.60 1.84 2.71 0.00 0.00 -1.26 -4.95 105.19 107.13 2gqb n GLY 33 Ca 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 2gqb n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gqb n THR 34 N 0.00-11.95 -3.00 2.61 -1.04 -1.26 -4.94 114.28 94.70 2gqb n THR 34 Ca 0.00 1.80 -0.41 0.00 -2.04 0.00 0.00 64.05 63.40 2gqb n THR 34 Cb 0.00 -6.94 -0.05 0.00 -1.82 0.00 0.00 70.33 61.52 2gqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqb s ALA 35 N -1.66 3.57 -0.48 2.41 0.00 -1.26 -5.00 121.76 119.34 2gqb s ALA 35 Ca 0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 2gqb s ALA 35 Cb -0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2gqb s ALA 35 CO 0.78 -1.04 1.68 -2.14 0.00 0.00 0.00 175.76 175.04 2gqb s PRO 36 N 2.78 3.15 0.42 0.00 0.02 -1.26 -4.83 135.00 135.27 2gqb s PRO 36 Ca 0.30 0.90 0.23 0.00 0.02 0.00 0.00 61.00 62.45 2gqb s PRO 36 Cb -0.15 -4.21 0.32 0.00 0.02 0.00 0.00 34.50 30.48 2gqb s PRO 36 CO 0.10 -2.10 1.56 0.00 -0.33 0.00 0.00 177.00 176.24 2gqb h THR 37 N 6.69 0.00 -5.04 0.99 1.03 -2.05 -3.49 112.91 111.03 2gqb h THR 37 Ca -0.29 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.12 2gqb h THR 37 Cb 1.14 1.95 -0.04 0.00 -1.07 0.00 0.00 68.15 70.12 2gqb h THR 37 CO 1.13 0.00 -1.18 0.00 -0.01 0.00 0.00 175.52 175.46 2gqb n ALA 38 N -2.10 -3.57 1.70 0.00 0.00 -1.26 -4.86 120.51 110.42 2gqb n ALA 38 Ca 0.04 1.13 0.00 0.00 0.00 0.00 0.00 53.44 54.61 2gqb n ALA 38 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2gqb n ALA 38 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gqb n PRO 39 N 1.02 0.94 -0.72 0.00 -0.02 -1.26 -4.98 135.00 129.97 2gqb n PRO 39 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2gqb n PRO 39 Cb 0.22 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2gqb n PRO 39 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2gqb n GLN 40 N -0.40 -1.91 -2.01 -0.52 1.13 -1.26 -4.89 117.38 107.52 2gqb n GLN 40 Ca 0.00 1.48 -0.42 0.00 -1.94 0.00 0.00 57.00 56.12 2gqb n GLN 40 Cb 0.05 -1.84 -0.03 0.00 0.11 0.00 0.00 30.24 28.53 2gqb n GLN 40 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2gqb s PRO 41 N -4.67 4.26 -0.19 -1.09 0.02 -1.26 -5.02 135.00 127.04 2gqb s PRO 41 Ca 0.00 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 2gqb s PRO 41 Cb 0.00 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2gqb s PRO 41 CO 0.00 -0.48 -0.13 0.99 -0.33 0.00 0.00 177.00 177.05 2gqb s THR 42 N 0.50 2.66 0.65 0.99 2.01 -1.26 -5.12 115.64 116.06 2gqb s THR 42 Ca 0.63 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 2gqb s THR 42 Cb -0.42 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2gqb s THR 42 CO 0.38 0.49 1.05 0.00 -0.69 0.00 0.00 174.62 175.84 2gqb s ALA 43 N 1.33 2.84 -0.43 7.40 0.00 -1.26 -5.05 121.76 126.59 2gqb s ALA 43 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.12 2gqb s ALA 43 Cb -0.14 -3.15 0.17 0.00 0.00 0.00 0.00 23.12 20.01 2gqb s ALA 43 CO -0.08 -0.94 0.41 0.00 0.00 0.00 0.00 175.76 175.15 2gqb s ALA 44 N -2.99 0.50 -0.94 0.00 0.00 -1.26 -4.94 121.76 112.13 2gqb s ALA 44 Ca 0.58 -1.88 0.28 0.00 0.00 0.00 0.00 51.96 50.94 2gqb s ALA 44 Cb -0.13 -1.86 1.03 0.00 0.00 0.00 0.00 23.12 22.16 2gqb s ALA 44 CO 0.51 -2.05 1.81 -0.35 0.00 0.00 0.00 175.76 175.68 2gqb n PRO 45 N 3.06 0.06 -3.76 0.00 -0.04 -1.26 -4.61 135.00 128.45 2gqb n PRO 45 Ca 0.25 0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 63.37 2gqb n PRO 45 Cb 0.49 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.32 5.29 -0.03 3.54 1.04 -1.26 -4.79 113.70 114.18 2gqb s SER 46 Ca 0.13 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.34 2gqb s SER 46 Cb 0.17 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 2gqb s SER 46 CO 0.57 -0.34 0.06 -0.63 0.98 0.00 0.00 173.24 173.88 2gqb s ILE 47 N 1.38 4.65 -0.26 -1.02 -1.09 -0.17 -5.00 121.20 119.70 2gqb s ILE 47 Ca -0.01 -0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 2gqb s ILE 47 Cb -0.20 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 2gqb s ILE 47 CO 0.02 0.44 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.51 2gqb s ASP 48 N -1.46 4.46 0.37 3.58 -1.08 -1.26 0.13 116.67 121.41 2gqb s ASP 48 Ca 0.20 -0.87 0.20 0.00 -0.52 0.00 0.00 52.55 51.55 2gqb s ASP 48 Cb -0.12 -1.70 0.43 0.00 -1.46 0.00 0.00 42.92 40.07 2gqb s ASP 48 CO 0.10 -0.14 1.61 0.58 0.52 0.00 0.00 175.17 177.84 2gqb h VAL 49 N 6.12 0.58 0.85 1.11 2.07 -1.35 -3.37 116.25 122.26 2gqb h VAL 49 Ca -0.32 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2gqb h VAL 49 Cb 1.11 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2gqb h VAL 49 CO 0.57 0.30 -0.48 0.00 0.02 0.00 0.00 177.57 177.98 2gqb h ALA 50 N 1.70 -1.27 -0.17 1.67 0.00 -1.95 -2.37 119.26 116.87 2gqb h ALA 50 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2gqb h ALA 50 Cb 1.08 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2gqb h ALA 50 CO 0.04 -1.22 -0.26 -1.00 0.00 0.00 0.00 179.25 176.81 2gqb h PRO 51 N -1.23 0.32 0.06 0.00 0.13 -1.95 0.17 132.00 129.49 2gqb h PRO 51 Ca -0.11 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2gqb h PRO 51 Cb 0.97 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2gqb h PRO 51 CO 0.14 0.56 -0.03 0.82 -0.23 0.00 0.00 178.00 179.27 2gqb h ILE 52 N 0.29 1.03 0.00 -3.56 2.04 -1.69 -1.93 117.51 113.68 2gqb h ILE 52 Ca 0.04 -0.29 -0.16 0.00 1.00 0.00 0.00 64.86 65.46 2gqb h ILE 52 Cb 0.61 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2gqb h ILE 52 CO 0.04 0.07 -0.80 -0.07 0.00 0.00 0.00 178.15 177.40 2gqb h LEU 53 N -0.21 0.00 -0.85 1.44 4.07 -1.37 -1.36 115.31 117.04 2gqb h LEU 53 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2gqb h LEU 53 Cb 0.18 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 2gqb h LEU 53 CO 0.01 0.75 0.55 -0.78 -1.08 0.00 0.00 178.44 177.89 2gqb h ASP 54 N 0.00 0.99 1.00 -0.43 3.58 -0.82 -1.42 116.42 119.32 2gqb h ASP 54 Ca -0.02 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 2gqb h ASP 54 Cb 1.59 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.37 2gqb h ASP 54 CO 0.09 0.73 -1.06 0.11 -2.88 0.00 0.00 179.24 176.24 2gqb h LYS 55 N 1.15 0.00 0.00 0.28 1.79 -1.37 -3.29 116.57 115.13 2gqb h LYS 55 Ca 0.31 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 2gqb h LYS 55 Cb -0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2gqb h LYS 55 CO -0.06 0.28 -0.19 0.00 -1.08 0.00 0.00 179.45 178.40 2gqb h ALA 56 N 1.56 1.58 -0.60 3.86 0.00 -0.76 0.15 119.26 125.05 2gqb h ALA 56 Ca -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2gqb h ALA 56 Cb 1.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2gqb h ALA 56 CO 0.04 0.23 0.31 0.28 0.00 0.00 0.00 179.25 180.11 2gqb h VAL 57 N 0.00 1.21 0.00 0.00 2.07 -1.34 0.93 116.25 119.12 2gqb h VAL 57 Ca -0.00 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 2gqb h VAL 57 Cb 0.35 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2gqb h VAL 57 CO 0.02 0.23 -0.69 0.11 0.02 0.00 0.00 177.57 177.27 2gqb h LYS 58 N 0.82 0.00 0.00 1.57 1.57 -1.44 -2.65 116.57 116.44 2gqb h LYS 58 Ca 0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 2gqb h LYS 58 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2gqb h LYS 58 CO -0.03 0.69 -0.65 0.00 -0.57 0.00 0.00 179.45 178.89 2gqb h ALA 59 N 1.31 0.77 0.09 3.86 0.00 -0.47 -3.19 119.26 121.63 2gqb h ALA 59 Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2gqb h ALA 59 Cb 1.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2gqb h ALA 59 CO 0.09 0.81 -0.04 -0.22 0.00 0.00 0.00 179.25 179.89 2gqb h LYS 60 N 0.00 -0.12 0.00 0.00 1.63 -0.63 -3.48 116.57 113.97 2gqb h LYS 60 Ca -0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gqb h LYS 60 Cb 1.27 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2gqb h LYS 60 CO 0.08 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 176.70 2gqb n GLY 61 N -0.25 1.53 3.90 5.01 0.00 -1.01 -5.10 105.19 109.26 2gqb n GLY 61 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 3.09 -0.29 1.61 -1.05 -1.25 -5.00 118.70 115.81 2gqb s GLU 62 Ca 0.00 -0.99 -0.25 0.00 -0.15 0.00 0.00 54.97 53.57 2gqb s GLU 62 Cb 0.00 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 2gqb s GLU 62 CO 0.00 0.31 0.88 0.21 0.95 0.00 0.00 175.26 177.61 2gqb s LYS 63 N -3.96 4.06 0.27 -4.83 2.36 -1.26 -4.59 119.74 111.79 2gqb s LYS 63 Ca 0.36 0.84 0.06 0.00 -2.55 0.00 0.00 55.97 54.68 2gqb s LYS 63 Cb -0.08 -3.70 -0.06 0.00 -1.05 0.00 0.00 37.83 32.94 2gqb s LYS 63 CO 0.27 -0.69 -0.03 -0.51 1.55 0.00 0.00 175.35 175.95 2gqb s LEU 64 N 3.10 2.39 -0.39 5.43 1.43 -1.26 -5.11 118.68 124.28 2gqb s LEU 64 Ca 0.37 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2gqb s LEU 64 Cb -0.14 -0.53 0.16 0.00 0.03 0.00 0.00 46.19 45.71 2gqb s LEU 64 CO 0.11 -0.41 0.30 -1.83 0.23 0.00 0.00 176.35 174.75 2gqb s GLU 65 N -3.78 0.75 0.30 1.70 1.03 -1.26 -4.98 118.70 112.47 2gqb s GLU 65 Ca 0.30 -1.75 0.24 0.00 0.03 0.00 0.00 54.97 53.78 2gqb s GLU 65 Cb 0.05 -1.33 1.09 0.00 -0.80 0.00 0.00 34.13 33.15 2gqb s GLU 65 CO 0.11 -1.31 1.72 0.11 -1.33 0.00 0.00 175.26 174.56 2gqb h TRP 66 N 6.20 0.00 -0.03 4.83 5.08 -1.92 -1.06 115.95 129.06 2gqb h TRP 66 Ca 0.18 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.11 2gqb h TRP 66 Cb 0.94 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.09 2gqb h TRP 66 CO 0.33 0.00 -0.16 0.00 -1.28 0.00 0.00 178.44 177.33 2gqb h ARG 67 N 0.00 0.04 0.00 0.12 3.08 -1.94 -3.32 114.38 112.37 2gqb h ARG 67 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2gqb h ARG 67 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2gqb h ARG 67 CO 0.00 0.20 -0.70 -2.37 -1.07 0.00 0.00 179.97 176.04 2gqb n THR 68 N -4.33 0.00 -3.74 2.04 5.66 -1.01 -4.77 114.28 108.13 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 0.24 -0.01 -0.11 0.00 -1.55 0.00 0.00 70.33 68.89 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 -1.74 5.58 0.17 1.09 0.01 -0.43 -4.84 113.70 113.54 2gqb s SER 69 Ca 0.00 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.26 2gqb s SER 69 Cb 0.00 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2gqb s SER 69 CO 0.00 0.00 1.39 -0.29 0.41 0.00 0.00 173.24 174.75 2gqb h ILE 70 N 5.34 1.59 -0.27 1.44 6.09 -1.83 -3.19 117.51 126.68 2gqb h ILE 70 Ca -0.37 -2.90 -0.07 0.00 -1.37 0.00 0.00 64.86 60.15 2gqb h ILE 70 Cb 1.18 2.58 -0.02 0.00 0.47 0.00 0.00 36.82 41.04 2gqb h ILE 70 CO 0.59 0.83 -0.14 0.58 -3.07 0.00 0.00 178.15 176.94 2gqb h VAL 71 N 0.02 1.23 0.11 2.19 2.07 -1.93 -2.49 116.25 117.46 2gqb h VAL 71 Ca -0.02 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2gqb h VAL 71 Cb 1.54 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2gqb h VAL 71 CO 0.12 0.33 -0.05 0.44 0.02 0.00 0.00 177.57 178.43 2gqb h ASP 72 N 0.43 -0.12 0.17 0.57 5.19 -1.89 -2.56 116.42 118.20 2gqb h ASP 72 Ca 0.08 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.21 2gqb h ASP 72 Cb 0.51 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2gqb h ASP 72 CO 0.03 0.10 -0.39 0.17 -3.12 0.00 0.00 179.24 176.03 2gqb h LEU 73 N -0.35 0.31 0.13 1.55 8.10 -1.61 -0.90 115.31 122.54 2gqb h LEU 73 Ca -0.01 -0.13 0.01 0.00 0.11 0.00 0.00 57.88 57.86 2gqb h LEU 73 Cb 0.29 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.39 2gqb h LEU 73 CO 0.02 0.68 -0.23 -0.03 -4.11 0.00 0.00 178.44 174.77 2gqb h MET 74 N 0.25 -0.42 -0.18 0.17 4.05 -1.29 -2.73 114.93 114.78 2gqb h MET 74 Ca 0.03 0.03 -0.20 0.00 -0.28 0.00 0.00 59.70 59.28 2gqb h MET 74 Cb 0.81 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2gqb h MET 74 CO 0.06 -0.28 -0.67 1.57 0.23 0.00 0.00 176.91 177.82 2gqb h LYS 75 N -0.43 0.70 -0.68 0.39 2.10 -1.38 -2.49 116.57 114.78 2gqb h LYS 75 Ca 0.02 -0.52 0.14 0.00 -2.00 0.00 0.00 60.65 58.30 2gqb h LYS 75 Cb 0.45 0.09 -0.11 0.00 -0.90 0.00 0.00 32.23 31.76 2gqb h LYS 75 CO -0.12 1.14 0.08 0.00 -2.00 0.00 0.00 179.45 178.54 2gqb h ALA 76 N 0.73 0.76 0.11 0.07 0.00 -0.96 -3.18 119.26 116.79 2gqb h ALA 76 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2gqb h ALA 76 Cb 1.27 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2gqb h ALA 76 CO 0.13 -0.37 -0.05 -0.07 0.00 0.00 0.00 179.25 178.89 2gqb h LEU 77 N 0.18 -0.12 0.00 0.00 -0.00 -1.57 -3.44 115.31 110.36 2gqb h LEU 77 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 2gqb h LEU 77 Cb 0.61 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2gqb h LEU 77 CO -0.53 0.02 0.00 -0.67 -0.00 0.00 0.00 178.44 177.26 2gqb n ASP 78 N -3.01 0.00 -4.92 -0.43 2.03 -1.20 -5.02 116.55 104.01 2gqb n ASP 78 Ca -0.02 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 2gqb n ASP 78 Cb 0.06 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.42 2gqb n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2gqb s ILE 79 N 0.00 5.30 -2.29 5.18 -1.09 -0.94 -4.98 121.20 122.38 2gqb s ILE 79 Ca 0.00 -0.30 0.29 0.00 -2.23 0.00 0.00 60.65 58.41 2gqb s ILE 79 Cb 0.00 -3.65 0.68 0.00 -1.58 0.00 0.00 42.46 37.91 2gqb s ILE 79 CO 0.00 0.05 1.91 0.47 -1.23 0.00 0.00 174.94 176.15 2gqb n ASP 80 N 0.04 0.91 -2.27 3.58 8.00 -1.26 -3.98 116.55 121.58 2gqb n ASP 80 Ca -0.04 -1.32 -0.10 0.00 0.71 0.00 0.00 54.79 54.03 2gqb n ASP 80 Cb 0.52 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 2gqb n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2gqb n SER 81 N -0.28 -3.25 -4.72 -2.24 3.41 -1.26 -4.95 113.62 100.33 2gqb n SER 81 Ca 0.21 0.25 -0.29 0.00 -0.26 0.00 0.00 58.87 58.78 2gqb n SER 81 Cb 0.26 -2.84 0.11 0.00 -0.26 0.00 0.00 64.21 61.48 2gqb n SER 81 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2gqb s SER 82 N -2.00 4.21 0.16 4.04 0.15 -1.26 -4.80 113.70 114.21 2gqb s SER 82 Ca 0.00 0.61 -0.15 0.00 0.70 0.00 0.00 55.95 57.11 2gqb s SER 82 Cb 0.00 -1.02 0.09 0.00 -1.71 0.00 0.00 66.02 63.39 2gqb s SER 82 CO 0.00 -2.07 1.75 0.25 1.20 0.00 0.00 173.24 174.38 2gqb h LEU 83 N -1.14 0.15 -0.99 3.45 7.12 -1.99 -1.41 115.31 120.51 2gqb h LEU 83 Ca -0.45 0.05 0.13 0.00 0.13 0.00 0.00 57.88 57.73 2gqb h LEU 83 Cb 1.31 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 41.38 2gqb h LEU 83 CO 0.59 0.12 0.62 0.28 -0.13 0.00 0.00 178.44 179.92 2gqb h SER 84 N 0.31 0.89 0.64 1.25 0.02 -1.98 -0.01 113.55 114.66 2gqb h SER 84 Ca 0.19 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2gqb h SER 84 Cb 0.17 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.59 2gqb h SER 84 CO -0.19 0.46 -0.31 0.00 -1.14 0.00 0.00 176.83 175.65 2gqb h ALA 85 N 1.54 -0.86 0.00 3.77 0.00 -1.64 -1.31 119.26 120.77 2gqb h ALA 85 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2gqb h ALA 85 Cb 0.52 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2gqb h ALA 85 CO -0.28 -0.81 0.00 0.07 0.00 0.00 0.00 179.25 178.23 2gqb h ARG 86 N -1.21 0.00 0.10 0.00 0.11 -1.25 -1.32 114.38 110.82 2gqb h ARG 86 Ca -0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.84 2gqb h ARG 86 Cb 0.67 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.77 2gqb h ARG 86 CO 0.14 0.00 -0.67 -0.22 0.10 0.00 0.00 179.97 179.32 2gqb h LYS 87 N 0.00 0.27 -0.30 0.08 1.63 -0.87 -3.13 116.57 114.26 2gqb h LYS 87 Ca 0.00 -0.43 -0.12 0.00 -0.85 0.00 0.00 60.65 59.25 2gqb h LYS 87 Cb 0.22 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2gqb h LYS 87 CO 0.00 1.19 -0.28 1.05 -3.45 0.00 0.00 179.45 177.96 2gqb h GLU 88 N -0.42 0.72 -0.67 1.90 4.11 -0.60 -2.51 114.58 117.11 2gqb h GLU 88 Ca -0.11 -0.37 0.07 0.00 0.07 0.00 0.00 59.36 59.01 2gqb h GLU 88 Cb 1.51 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.71 2gqb h GLU 88 CO 0.13 0.99 0.36 1.25 0.07 0.00 0.00 179.01 181.81 2gqb h LEU 89 N 0.47 0.52 -0.70 3.06 5.85 -1.40 -0.67 115.31 122.43 2gqb h LEU 89 Ca 0.05 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 2gqb h LEU 89 Cb 0.85 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2gqb h LEU 89 CO 0.07 0.32 -0.13 0.00 -0.34 0.00 0.00 178.44 178.37 2gqb h ALA 90 N 1.37 0.89 0.00 1.25 0.00 -1.48 -2.99 119.26 118.30 2gqb h ALA 90 Ca 0.31 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gqb h ALA 90 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gqb h ALA 90 CO -0.21 0.63 -0.16 1.57 0.00 0.00 0.00 179.25 181.09 2gqb h LYS 91 N 0.78 0.00 0.00 0.00 2.10 -0.87 0.26 116.57 118.84 2gqb h LYS 91 Ca 0.12 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.65 2gqb h LYS 91 Cb 0.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2gqb h LYS 91 CO 0.05 0.16 -0.61 0.93 -2.00 0.00 0.00 179.45 177.98 2gqb h GLU 92 N 0.00 0.00 0.10 0.07 4.39 -1.05 -3.32 114.58 114.78 2gqb h GLU 92 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2gqb h GLU 92 Cb 1.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2gqb h GLU 92 CO 0.02 0.61 -1.92 1.28 -1.16 0.00 0.00 179.01 177.84 2gqb n LEU 93 N -3.70 2.54 0.00 1.33 4.77 -1.02 -5.03 117.00 115.89 2gqb n LEU 93 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2gqb n LEU 93 Cb 0.63 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2gqb n LEU 93 CO 0.42 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2gqb n GLY 94 N 1.92 -2.00 2.32 -0.72 0.00 0.81 -5.00 105.19 102.52 2gqb n GLY 94 Ca -0.33 0.67 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.79 -0.16 1.61 9.36 -0.53 -4.65 117.16 122.00 2gqb n TYR 95 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2gqb n TYR 95 Cb 0.00 -3.38 0.00 0.00 -0.63 0.00 0.00 39.34 35.33 2gqb n TYR 95 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2gqb n SER 96 N -1.20 4.76 0.00 2.98 7.64 -1.26 -4.75 113.62 121.79 2gqb n SER 96 Ca -0.20 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.38 2gqb n SER 96 Cb 0.65 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2gqb n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqb n GLY 97 N 1.28 1.41 0.00 0.23 0.00 -1.26 -5.06 105.19 101.79 2gqb n GLY 97 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.14 0.00 1.61 2.03 -1.26 -4.81 116.55 115.26 2gqb n ASP 98 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2gqb n ASP 98 Cb 0.00 0.05 0.24 0.00 -0.72 0.00 0.00 41.12 40.69 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 -1.44 0.08 0.26 -0.67 0.00 -1.26 -0.96 117.12 113.14 2gqb n MET 99 Ca 0.00 0.25 0.15 0.00 0.00 0.00 0.00 57.70 58.10 2gqb n MET 99 Cb 0.13 -1.50 0.66 0.00 0.00 0.00 0.00 33.22 32.51 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 -3.60 3.17 -1.07 -2.00 -3.49 115.58 108.59 2gqb h ASN 100 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 56.30 56.64 2gqb h ASN 100 Cb 0.13 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.27 2gqb h ASN 100 CO 0.00 0.09 -0.63 -0.67 0.07 0.00 0.00 177.43 176.28 2gqb n ASP 101 N -3.27 -6.26 0.18 6.14 2.03 -0.13 -2.89 116.55 112.35 2gqb n ASP 101 Ca -0.00 0.72 0.16 0.00 0.52 0.00 0.00 54.79 56.19 2gqb n ASP 101 Cb 0.32 -3.36 0.77 0.00 -0.72 0.00 0.00 41.12 38.14 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 -1.00 0.00 0.07 1.67 0.02 -1.95 -1.04 113.55 111.32 2gqb h SER 102 Ca -0.06 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2gqb h SER 102 Cb 0.98 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 2gqb h SER 102 CO 0.03 0.00 -0.50 0.00 -1.14 0.00 0.00 176.83 175.22 2gqb h ALA 103 N 1.81 -0.90 0.00 3.77 0.00 -2.00 -1.52 119.26 120.43 2gqb h ALA 103 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gqb h ALA 103 Cb 0.48 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2gqb h ALA 103 CO -0.00 -1.08 -0.54 0.43 0.00 0.00 0.00 179.25 178.06 2gqb n SER 104 N -5.48 0.66 0.06 0.00 7.64 -1.08 -3.88 113.62 111.54 2gqb n SER 104 Ca -0.08 0.13 -0.05 0.00 1.01 0.00 0.00 58.87 59.89 2gqb n SER 104 Cb 0.40 0.07 0.16 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.35 -0.67 1.43 -1.53 -0.69 -1.44 114.93 112.38 2gqb h MET 105 Ca 0.00 -0.19 -0.06 0.00 -3.44 0.00 0.00 59.70 56.01 2gqb h MET 105 Cb 0.71 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.74 2gqb h MET 105 CO 0.00 0.74 0.17 -0.97 0.14 0.00 0.00 176.91 176.99 2gqb h ASN 106 N 0.28 1.01 0.46 1.39 -1.24 -1.40 -2.17 115.58 113.91 2gqb h ASN 106 Ca 0.02 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 2gqb h ASN 106 Cb 0.92 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.71 2gqb h ASN 106 CO 0.08 0.97 -0.22 0.40 -1.29 0.00 0.00 177.43 177.36 2gqb h ILE 107 N 1.02 0.18 -0.82 2.57 2.04 -1.65 -2.23 117.51 118.62 2gqb h ILE 107 Ca 0.21 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2gqb h ILE 107 Cb 0.35 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2gqb h ILE 107 CO 0.00 0.04 0.51 -0.25 0.00 0.00 0.00 178.15 178.45 2gqb h TRP 108 N -1.10 0.95 -0.28 1.37 7.01 -1.34 -2.08 115.95 120.49 2gqb h TRP 108 Ca -0.06 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 2gqb h TRP 108 Cb 0.53 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2gqb h TRP 108 CO 0.01 0.52 -0.37 1.25 -2.79 0.00 0.00 178.44 177.06 2gqb h LEU 109 N 0.97 0.66 -1.13 0.65 5.85 -1.47 -2.63 115.31 118.21 2gqb h LEU 109 Ca 0.34 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2gqb h LEU 109 Cb 0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2gqb h LEU 109 CO -0.14 0.97 0.05 -0.74 -0.34 0.00 0.00 178.44 178.24 2gqb h HIS 110 N 0.52 0.68 0.58 1.25 2.76 -0.74 -1.44 115.15 118.77 2gqb h HIS 110 Ca 0.05 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2gqb h HIS 110 Cb 0.88 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.64 2gqb h HIS 110 CO 0.04 0.62 -0.28 0.87 -1.30 0.00 0.00 177.93 177.88 2gqb h LYS 111 N 0.64 -0.75 0.08 5.26 1.79 -1.16 -2.97 116.57 119.45 2gqb h LYS 111 Ca 0.14 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2gqb h LYS 111 Cb 0.32 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 2gqb h LYS 111 CO 0.01 -0.50 -0.16 1.96 -1.08 0.00 0.00 179.45 179.68 2gqb h GLN 112 N -0.84 -0.29 -0.69 3.15 7.50 -1.32 -0.37 115.11 122.25 2gqb h GLN 112 Ca -0.08 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.11 2gqb h GLN 112 Cb 0.60 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.16 2gqb h GLN 112 CO 0.13 -0.19 0.44 0.28 -1.50 0.00 0.00 178.83 177.99 2gqb h VAL 113 N -0.30 1.12 0.00 -0.54 2.07 -1.40 -2.12 116.25 115.08 2gqb h VAL 113 Ca 0.03 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2gqb h VAL 113 Cb 0.33 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2gqb h VAL 113 CO -0.10 0.16 -0.57 -0.03 0.02 0.00 0.00 177.57 177.05 2gqb h MET 114 N 0.88 0.00 0.00 1.57 1.85 -1.31 -2.48 114.93 115.44 2gqb h MET 114 Ca 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2gqb h MET 114 Cb -0.02 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.01 2gqb h MET 114 CO -0.09 0.57 0.00 0.77 -0.40 0.00 0.00 176.91 177.76 2gqb h SER 115 N 0.00 0.00 0.00 1.39 0.02 -0.38 -0.47 113.55 114.12 2gqb h SER 115 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2gqb h SER 115 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2gqb h SER 115 CO 0.07 0.00 -0.43 0.11 -1.14 0.00 0.00 176.83 175.44 2gqb h LYS 116 N 0.00 0.00 -0.13 3.45 1.79 -1.26 -3.34 116.57 117.08 2gqb h LYS 116 Ca 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2gqb h LYS 116 Cb 0.28 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 2gqb h LYS 116 CO 0.00 0.26 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.16 2gqb h LEU 117 N -1.00 -1.27 -1.10 2.94 3.38 -1.10 -1.11 115.31 116.04 2gqb h LEU 117 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gqb h LEU 117 Cb 0.54 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2gqb h LEU 117 CO -0.03 -0.34 0.00 -0.37 0.09 0.00 0.00 178.44 177.78 2gqb h VAL 118 N -0.41 0.00 0.00 1.22 -1.51 -1.34 0.89 116.25 115.10 2gqb h VAL 118 Ca 0.03 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2gqb h VAL 118 Cb 0.49 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2gqb h VAL 118 CO -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.00 2gqb n ALA 119 N -1.87 2.15 1.51 5.19 0.00 -0.46 -2.27 120.51 124.76 2gqb n ALA 119 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 2gqb n ALA 119 Cb 0.22 -1.45 0.76 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.27 0.08 0.00 0.00 5.03 0.31 -4.83 115.26 113.57 2gqb n ASN 120 Ca 0.05 -0.35 0.00 0.00 0.87 0.00 0.00 54.58 55.15 2gqb n ASN 120 Cb 0.39 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 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 1.24 1.88 3.67 7.41 0.00 -1.06 -4.97 105.19 113.36 2gqb n GLY 121 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 2.09 0.07 -0.02 0.00 -0.96 -1.00 107.32 105.51 2gqb s GLY 122 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 2gqb s GLY 122 CO 0.00 0.81 0.46 1.25 0.00 0.00 0.00 173.10 175.62 2gqb s LYS 123 N 1.29 3.91 0.06 2.90 2.36 0.34 -4.58 119.74 126.02 2gqb s LYS 123 Ca 0.19 0.39 0.03 0.00 -2.55 0.00 0.00 55.97 54.03 2gqb s LYS 123 Cb -0.15 -3.07 -0.03 0.00 -1.05 0.00 0.00 37.83 33.54 2gqb s LYS 123 CO 0.08 0.58 -0.10 -0.48 1.55 0.00 0.00 175.35 176.99 2gqb s LEU 124 N -1.59 2.28 0.73 5.43 -0.00 -1.26 -0.90 118.68 123.37 2gqb s LEU 124 Ca 0.31 -0.61 -0.11 0.00 -0.00 0.00 0.00 54.13 53.72 2gqb s LEU 124 Cb -0.16 -0.27 0.03 0.00 -0.00 0.00 0.00 46.19 45.79 2gqb s LEU 124 CO 0.17 -0.18 1.09 -2.16 -0.00 0.00 0.00 176.35 175.27 2gqb s PRO 125 N -1.81 2.63 0.00 1.48 0.04 -1.26 -4.92 135.00 131.15 2gqb s PRO 125 Ca -0.06 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.64 2gqb s PRO 125 Cb -0.09 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.68 2gqb s PRO 125 CO 0.01 -1.23 0.55 -2.30 0.04 0.00 0.00 177.00 174.06 2gqb n PRO 126 N -3.17 0.27 0.15 0.56 -0.02 -1.26 -1.83 135.00 129.69 2gqb n PRO 126 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2gqb n PRO 126 Cb 0.56 -1.20 0.15 0.00 -0.02 0.00 0.00 33.50 32.99 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 -4.56 -0.52 4.39 -2.00 -3.39 114.58 108.50 2gqb h GLU 127 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 2gqb h GLU 127 Cb 0.00 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.29 2gqb h GLU 127 CO 0.00 0.55 -0.61 0.42 -1.16 0.00 0.00 179.01 178.21 2gqb s ILE 128 N -3.29 2.93 -0.07 3.13 1.09 -0.76 -4.94 121.20 119.29 2gqb s ILE 128 Ca 0.01 -2.16 -0.26 0.00 -1.10 0.00 0.00 60.65 57.14 2gqb s ILE 128 Cb 0.10 -3.06 -0.21 0.00 -1.06 0.00 0.00 42.46 38.23 2gqb s ILE 128 CO 0.74 -0.66 1.04 0.07 -0.10 0.00 0.00 174.94 176.03 2gqb h LYS 129 N 7.90 -0.03 0.00 2.79 5.09 -1.83 -3.45 116.57 127.04 2gqb h LYS 129 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.64 2gqb h LYS 129 Cb 1.04 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.37 2gqb h LYS 129 CO 0.64 0.61 0.00 1.58 -2.09 0.00 0.00 179.45 180.19