#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb s SER 2 N 0.00 6.18 0.42 6.12 0.01 -1.26 -4.07 113.70 121.10 2gqb s SER 2 Ca 0.00 -1.09 0.23 0.00 1.31 0.00 0.00 55.95 56.40 2gqb s SER 2 Cb 0.00 -2.38 0.78 0.00 0.21 0.00 0.00 66.02 64.63 2gqb s SER 2 CO 0.00 -1.31 1.76 0.40 0.41 0.00 0.00 173.24 174.50 2gqb h ILE 3 N 5.96 0.55 0.00 1.44 2.04 -1.90 -0.86 117.51 124.74 2gqb h ILE 3 Ca -0.29 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.31 2gqb h ILE 3 Cb 1.08 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2gqb h ILE 3 CO 1.15 0.24 -0.02 2.19 0.00 0.00 0.00 178.15 181.70 2gqb h PHE 4 N 0.00 0.00 0.00 1.37 -5.15 -1.95 -0.15 116.94 111.05 2gqb h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2gqb h PHE 4 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.02 2gqb h PHE 4 CO 0.00 0.02 -0.86 0.41 -2.00 0.00 0.00 178.31 175.89 2gqb n GLY 5 N -0.65 -1.13 0.12 6.09 0.00 -0.36 -3.68 105.19 105.58 2gqb n GLY 5 Ca -0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 0.25 0.00 1.61 1.57 -0.71 -3.37 116.57 115.92 2gqb h LYS 6 Ca 0.00 -0.43 -0.12 0.00 -1.87 0.00 0.00 60.65 58.23 2gqb h LYS 6 Cb 0.56 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2gqb h LYS 6 CO 0.00 1.21 -0.57 -0.84 -0.57 0.00 0.00 179.45 178.68 2gqb h ILE 7 N -0.35 1.22 0.00 1.86 3.07 -1.44 -3.13 117.51 118.74 2gqb h ILE 7 Ca -0.25 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.08 2gqb h ILE 7 Cb 1.71 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 40.44 2gqb h ILE 7 CO 0.08 0.56 0.00 0.00 -1.05 0.00 0.00 178.15 177.74 2gqb h MET 8 N 0.00 0.00 -0.74 0.16 -0.00 -1.71 -2.58 114.93 110.06 2gqb h MET 8 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.73 2gqb h MET 8 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.70 2gqb h MET 8 CO 0.07 0.00 0.49 0.77 -0.00 0.00 0.00 176.91 178.24 2gqb h SER 9 N 0.00 0.77 0.26 -0.10 0.02 -1.73 0.23 113.55 113.00 2gqb h SER 9 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2gqb h SER 9 Cb 0.23 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2gqb h SER 9 CO 0.00 0.53 -0.61 0.00 -1.14 0.00 0.00 176.83 175.61 2gqb n ALA 10 N -2.43 3.85 -0.13 3.77 0.00 -0.97 -2.67 120.51 121.92 2gqb n ALA 10 Ca 0.09 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 2gqb n ALA 10 Cb 0.13 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 2gqb n ALA 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2gqb n ILE 11 N -1.22 1.52 0.58 0.00 5.41 -0.80 -4.46 119.36 120.39 2gqb n ILE 11 Ca 0.06 -0.25 0.11 0.00 1.00 0.00 0.00 62.75 63.68 2gqb n ILE 11 Cb 0.35 -1.99 0.26 0.00 -0.71 0.00 0.00 39.64 37.54 2gqb n ILE 11 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2gqb n PHE 12 N -4.31 0.42 -0.92 1.39 3.01 0.75 -3.85 117.46 113.95 2gqb n PHE 12 Ca -0.45 -0.21 0.08 0.00 1.01 0.00 0.00 57.45 57.89 2gqb n PHE 12 Cb 0.79 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.51 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 1.40 3.95 3.88 1.37 0.00 -1.09 -5.00 105.19 109.70 2gqb n GLY 13 Ca 0.18 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.89 6.49 0.00 1.61 2.15 -1.25 -4.92 116.67 118.86 2gqb s ASP 14 Ca 0.40 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.94 2gqb s ASP 14 Cb 0.32 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2gqb s ASP 14 CO 0.09 0.31 0.22 -1.20 -0.17 0.00 0.00 175.17 174.42 2gqb n SER 15 N 1.43 0.00 -0.09 -0.34 7.64 -1.26 -4.96 113.62 116.04 2gqb n SER 15 Ca -0.14 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2gqb n SER 15 Cb 0.53 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 0.48 -3.59 -0.43 0.00 -1.26 -5.06 120.51 110.66 2gqb n ALA 16 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2gqb n ALA 16 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 17 N 0.00 0.52 -1.31 0.00 0.00 -1.26 -4.83 121.76 114.88 2gqb s ALA 17 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2gqb s ALA 17 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2gqb s ALA 17 CO 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 175.76 174.41 2gqb n ALA 18 N 5.26 -0.27 -1.76 0.00 0.00 -1.26 -4.96 120.51 117.51 2gqb n ALA 18 Ca -0.07 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 2gqb n ALA 18 Cb 0.46 -1.52 0.01 0.00 0.00 0.00 0.00 19.45 18.41 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2gqb s SER 19 N -2.70 5.61 0.33 0.00 0.01 -1.26 -4.48 113.70 111.21 2gqb s SER 19 Ca 0.00 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.31 2gqb s SER 19 Cb 0.00 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.52 2gqb s SER 19 CO 0.00 -1.31 1.50 -0.81 0.41 0.00 0.00 173.24 173.03 2gqb n PRO 20 N -1.17 2.57 0.00 12.44 -0.04 -1.26 -4.48 135.00 143.07 2gqb n PRO 20 Ca 0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2gqb n PRO 20 Cb 0.49 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 1.28 1.34 2.49 0.55 0.00 -1.26 -4.96 105.19 104.62 2gqb n GLY 21 Ca 0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.16 3.58 -0.02 0.00 -1.26 -4.97 105.19 102.37 2gqb n GLY 22 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.22 3.19 -0.31 4.61 0.00 -1.26 -4.99 121.76 119.78 2gqb s ALA 23 Ca 0.11 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2gqb s ALA 23 Cb -0.01 -3.77 0.09 0.00 0.00 0.00 0.00 23.12 19.43 2gqb s ALA 23 CO 0.44 -2.17 0.05 -0.65 0.00 0.00 0.00 175.76 173.43 2gqb s GLN 24 N 4.10 1.26 0.24 0.00 -0.21 -1.26 -5.11 119.66 118.69 2gqb s GLN 24 Ca 0.42 -1.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 2gqb s GLN 24 Cb -0.09 -2.70 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 2gqb s GLN 24 CO 0.29 -0.90 1.24 0.00 -2.12 0.00 0.00 175.29 173.80 2gqb s ALA 25 N 1.21 3.47 -0.24 6.09 0.00 -1.26 -4.96 121.76 126.08 2gqb s ALA 25 Ca 0.08 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2gqb s ALA 25 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2gqb s ALA 25 CO -0.14 -0.44 1.91 -2.14 0.00 0.00 0.00 175.76 174.96 2gqb s PRO 26 N -0.82 3.44 -0.24 0.00 0.02 -1.26 -4.95 135.00 131.18 2gqb s PRO 26 Ca 0.51 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 63.05 2gqb s PRO 26 Cb -0.35 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 29.95 2gqb s PRO 26 CO 0.42 -1.74 0.89 0.00 -0.33 0.00 0.00 177.00 176.24 2gqb s ALA 27 N 6.77 3.65 0.59 -1.55 0.00 -1.26 -5.05 121.76 124.91 2gqb s ALA 27 Ca 0.85 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 2gqb s ALA 27 Cb -0.28 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.48 2gqb s ALA 27 CO 0.34 -0.99 0.90 0.99 0.00 0.00 0.00 175.76 177.00 2gqb s THR 28 N 2.97 3.63 -0.98 0.00 2.01 -1.26 -4.96 115.64 117.05 2gqb s THR 28 Ca 0.38 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 2gqb s THR 28 Cb -0.15 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2gqb s THR 28 CO 0.07 -0.45 1.97 0.42 -0.69 0.00 0.00 174.62 175.94 2gqb s THR 29 N -2.98 3.44 -1.04 -0.82 -4.23 -1.26 -4.89 115.64 103.87 2gqb s THR 29 Ca 0.54 -0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 2gqb s THR 29 Cb -0.11 -4.11 0.15 0.00 1.34 0.00 0.00 72.50 69.77 2gqb s THR 29 CO 0.45 -0.89 1.24 -0.83 -0.54 0.00 0.00 174.62 174.05 2gqb s GLY 30 N 7.76 2.13 -0.96 3.99 0.00 -1.26 -4.96 107.32 114.03 2gqb s GLY 30 Ca 0.71 -3.02 -0.24 0.00 0.00 0.00 0.00 44.72 42.17 2gqb s GLY 30 CO 0.04 2.02 2.02 0.00 0.00 0.00 0.00 173.10 177.18 2gqb s ALA 31 N 2.20 1.48 0.00 3.20 0.00 -1.26 -2.86 121.76 124.52 2gqb s ALA 31 Ca 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2gqb s ALA 31 Cb -0.04 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2gqb s ALA 31 CO -0.06 -5.19 0.00 0.00 0.00 0.00 0.00 175.76 170.52 2gqb n ALA 32 N 15.08 0.00 0.00 0.00 0.00 -1.26 -5.02 120.51 129.32 2gqb n ALA 32 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2gqb n ALA 32 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 1.08 3.65 0.00 0.00 -1.13 -5.10 105.19 103.40 2gqb n GLY 33 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2gqb n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gqb s THR 34 N -2.00 4.90 -0.01 2.61 2.01 -1.26 -5.04 115.64 116.86 2gqb s THR 34 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.46 2gqb s THR 34 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2gqb s THR 34 CO 0.00 0.00 -0.01 0.00 -0.69 0.00 0.00 174.62 173.92 2gqb s ALA 35 N 2.42 0.21 -0.74 7.40 0.00 -1.26 -4.95 121.76 124.84 2gqb s ALA 35 Ca 0.33 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 2gqb s ALA 35 Cb -0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 2gqb s ALA 35 CO 0.09 -0.00 2.06 -2.14 0.00 0.00 0.00 175.76 175.77 2gqb s PRO 36 N 0.35 2.36 -1.04 0.00 0.02 -1.26 -4.86 135.00 130.57 2gqb s PRO 36 Ca -0.03 0.34 -0.07 0.00 0.02 0.00 0.00 61.00 61.26 2gqb s PRO 36 Cb -0.06 -4.74 -0.04 0.00 0.02 0.00 0.00 34.50 29.69 2gqb s PRO 36 CO -0.01 -3.34 2.88 -2.37 -0.33 0.00 0.00 177.00 173.83 2gqb n THR 37 N 7.84 4.21 -3.55 0.99 5.66 -1.26 -4.86 114.28 123.31 2gqb n THR 37 Ca 0.35 -2.98 -0.41 0.00 -3.05 0.00 0.00 64.05 57.96 2gqb n THR 37 Cb 0.49 -2.17 -0.09 0.00 -1.55 0.00 0.00 70.33 67.01 2gqb n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gqb s ALA 38 N 0.31 3.39 -0.85 1.79 0.00 -1.26 -5.03 121.76 120.11 2gqb s ALA 38 Ca 0.63 -2.45 -0.25 0.00 0.00 0.00 0.00 51.96 49.89 2gqb s ALA 38 Cb 0.24 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 2gqb s ALA 38 CO -0.09 -1.86 1.69 -2.14 0.00 0.00 0.00 175.76 173.37 2gqb s PRO 39 N 1.39 2.94 -0.15 0.00 0.02 -1.26 -4.97 135.00 132.98 2gqb s PRO 39 Ca 0.05 -0.32 -0.18 0.00 0.02 0.00 0.00 61.00 60.57 2gqb s PRO 39 Cb -0.26 -4.87 -0.04 0.00 0.02 0.00 0.00 34.50 29.35 2gqb s PRO 39 CO 0.00 -2.74 0.49 -0.65 -0.33 0.00 0.00 177.00 173.77 2gqb s GLN 40 N 6.28 4.29 -0.46 5.54 -0.21 -1.26 -5.00 119.66 128.83 2gqb s GLN 40 Ca 0.58 0.44 -0.27 0.00 0.02 0.00 0.00 55.36 56.13 2gqb s GLN 40 Cb -0.06 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 2gqb s GLN 40 CO 0.04 0.05 2.23 -2.14 -2.12 0.00 0.00 175.29 173.34 2gqb s PRO 41 N 0.99 2.45 -1.15 2.91 0.02 -1.26 -4.89 135.00 134.07 2gqb s PRO 41 Ca 0.25 1.36 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 2gqb s PRO 41 Cb -0.15 -4.49 0.06 0.00 0.02 0.00 0.00 34.50 29.95 2gqb s PRO 41 CO 0.10 -2.89 1.57 0.95 -0.33 0.00 0.00 177.00 176.41 2gqb s THR 42 N 10.62 4.06 0.15 0.99 -4.23 -1.26 -4.93 115.64 121.04 2gqb s THR 42 Ca 0.91 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2gqb s THR 42 Cb -0.19 -5.11 -0.04 0.00 1.34 0.00 0.00 72.50 68.49 2gqb s THR 42 CO 0.27 -1.96 -0.02 0.00 -0.54 0.00 0.00 174.62 172.37 2gqb s ALA 43 N 4.48 1.23 -0.42 3.99 0.00 -1.26 -5.12 121.76 124.65 2gqb s ALA 43 Ca 0.49 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2gqb s ALA 43 Cb 0.02 0.43 0.17 0.00 0.00 0.00 0.00 23.12 23.73 2gqb s ALA 43 CO -0.01 -0.29 0.48 0.00 0.00 0.00 0.00 175.76 175.93 2gqb s ALA 44 N -3.65 -0.48 -1.69 0.00 0.00 -1.26 -4.96 121.76 109.72 2gqb s ALA 44 Ca 0.20 -1.18 0.30 0.00 0.00 0.00 0.00 51.96 51.29 2gqb s ALA 44 Cb 0.06 -2.15 1.57 0.00 0.00 0.00 0.00 23.12 22.61 2gqb s ALA 44 CO 0.01 -2.13 2.06 -0.35 0.00 0.00 0.00 175.76 175.36 2gqb n PRO 45 N 3.51 0.70 -3.69 0.00 -0.04 -1.26 -4.78 135.00 129.43 2gqb n PRO 45 Ca 0.18 -0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2gqb n PRO 45 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2gqb n PRO 45 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqb s SER 46 N -2.35 -0.40 -0.42 3.54 0.01 -1.26 -5.08 113.70 107.74 2gqb s SER 46 Ca 0.35 0.52 -0.24 0.00 1.31 0.00 0.00 55.95 57.90 2gqb s SER 46 Cb 0.21 0.59 0.02 0.00 0.21 0.00 0.00 66.02 67.04 2gqb s SER 46 CO 0.43 -0.39 0.81 -0.63 0.41 0.00 0.00 173.24 173.88 2gqb s ILE 47 N -0.76 4.65 -0.83 1.44 -1.09 -0.12 -4.89 121.20 119.60 2gqb s ILE 47 Ca -0.08 0.69 -0.26 0.00 -2.23 0.00 0.00 60.65 58.77 2gqb s ILE 47 Cb -0.03 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2gqb s ILE 47 CO 0.04 -0.62 1.38 -0.62 -1.23 0.00 0.00 174.94 173.89 2gqb s ASP 48 N 2.04 6.22 0.23 3.58 2.15 -1.26 0.63 116.67 130.26 2gqb s ASP 48 Ca 0.32 -0.77 0.14 0.00 0.43 0.00 0.00 52.55 52.67 2gqb s ASP 48 Cb -0.12 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 2gqb s ASP 48 CO 0.21 -1.77 1.35 0.58 -0.17 0.00 0.00 175.17 175.37 2gqb h VAL 49 N 6.36 0.98 0.24 1.11 2.07 -1.86 -3.37 116.25 121.77 2gqb h VAL 49 Ca -0.11 -2.41 0.01 0.00 0.82 0.00 0.00 66.70 65.01 2gqb h VAL 49 Cb 1.04 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.23 2gqb h VAL 49 CO 1.33 0.56 -0.42 0.00 0.02 0.00 0.00 177.57 179.06 2gqb h ALA 50 N 1.40 -0.81 -0.43 1.67 0.00 -1.88 -1.57 119.26 117.64 2gqb h ALA 50 Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2gqb h ALA 50 Cb 1.48 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2gqb h ALA 50 CO 0.07 -1.01 -0.02 -1.00 0.00 0.00 0.00 179.25 177.29 2gqb h PRO 51 N -0.73 0.71 0.55 0.00 0.13 -1.95 -1.53 132.00 129.18 2gqb h PRO 51 Ca -0.00 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2gqb h PRO 51 Cb 0.71 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2gqb h PRO 51 CO -0.17 0.74 -0.28 0.82 -0.23 0.00 0.00 178.00 178.88 2gqb h ILE 52 N 0.67 0.42 -0.06 -3.56 2.04 -1.64 -2.35 117.51 113.02 2gqb h ILE 52 Ca 0.13 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.81 2gqb h ILE 52 Cb 0.44 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2gqb h ILE 52 CO 0.02 0.00 -0.65 -0.07 0.00 0.00 0.00 178.15 177.45 2gqb h LEU 53 N -0.77 0.67 -0.93 1.44 3.38 -1.25 -1.57 115.31 116.28 2gqb h LEU 53 Ca -0.07 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.22 2gqb h LEU 53 Cb 0.60 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2gqb h LEU 53 CO 0.11 1.27 0.61 -0.78 0.09 0.00 0.00 178.44 179.74 2gqb h ASP 54 N 0.14 1.05 -0.05 -0.43 3.58 -1.33 0.15 116.42 119.54 2gqb h ASP 54 Ca -0.07 -0.02 -0.24 0.00 0.42 0.00 0.00 57.03 57.12 2gqb h ASP 54 Cb 1.32 -0.26 0.02 0.00 1.72 0.00 0.00 39.33 42.13 2gqb h ASP 54 CO 0.13 0.76 -0.92 0.11 -2.88 0.00 0.00 179.24 176.43 2gqb h LYS 55 N 1.24 0.71 0.00 0.28 6.56 -1.47 -3.21 116.57 120.68 2gqb h LYS 55 Ca 0.35 -0.70 -0.03 0.00 -1.06 0.00 0.00 60.65 59.21 2gqb h LYS 55 Cb -0.12 0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2gqb h LYS 55 CO -0.08 1.29 -0.15 0.00 -2.06 0.00 0.00 179.45 178.45 2gqb h ALA 56 N 0.44 1.41 -0.25 3.86 0.00 -0.68 -1.49 119.26 122.55 2gqb h ALA 56 Ca -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2gqb h ALA 56 Cb 1.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2gqb h ALA 56 CO 0.18 0.19 0.14 0.28 0.00 0.00 0.00 179.25 180.03 2gqb h VAL 57 N 0.00 1.12 0.00 0.00 2.07 -0.72 0.14 116.25 118.86 2gqb h VAL 57 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2gqb h VAL 57 Cb 0.34 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2gqb h VAL 57 CO 0.02 0.12 -0.04 0.11 0.02 0.00 0.00 177.57 177.79 2gqb h LYS 58 N 0.29 0.00 0.03 1.57 1.57 -1.49 -2.68 116.57 115.86 2gqb h LYS 58 Ca 0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 2gqb h LYS 58 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2gqb h LYS 58 CO -0.01 0.00 -1.21 0.00 -0.57 0.00 0.00 179.45 177.65 2gqb h ALA 59 N 2.23 0.38 -0.04 3.86 0.00 -1.00 -3.33 119.26 121.36 2gqb h ALA 59 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 2gqb h ALA 59 Cb 0.88 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2gqb h ALA 59 CO 0.00 1.26 0.00 -0.22 0.00 0.00 0.00 179.25 180.29 2gqb h LYS 60 N 0.02 0.07 0.00 0.00 1.63 -0.45 -3.48 116.57 114.35 2gqb h LYS 60 Ca -0.10 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2gqb h LYS 60 Cb 1.87 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 2gqb h LYS 60 CO 0.14 0.35 0.00 0.41 -3.45 0.00 0.00 179.45 176.89 2gqb n GLY 61 N -0.29 4.31 3.93 5.01 0.00 -1.03 -5.11 105.19 112.00 2gqb n GLY 61 Ca -0.07 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2gqb n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gqb s GLU 62 N 0.00 3.20 -1.34 1.61 2.02 -1.25 -4.96 118.70 117.98 2gqb s GLU 62 Ca 0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.69 2gqb s GLU 62 Cb 0.00 -2.44 0.09 0.00 0.10 0.00 0.00 34.13 31.88 2gqb s GLU 62 CO 0.00 -0.32 1.88 1.17 0.02 0.00 0.00 175.26 178.01 2gqb n LYS 63 N -2.23 3.19 -2.38 1.61 0.00 -1.26 -4.41 118.16 112.67 2gqb n LYS 63 Ca 0.01 -3.19 -0.37 0.00 0.00 0.00 0.00 58.31 54.76 2gqb n LYS 63 Cb 0.57 -3.25 -0.03 0.00 0.00 0.00 0.00 35.03 32.33 2gqb n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2gqb s LEU 64 N 2.28 4.13 -0.47 3.14 1.43 -1.26 -5.02 118.68 122.91 2gqb s LEU 64 Ca 0.47 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.81 2gqb s LEU 64 Cb 0.07 -4.13 0.14 0.00 0.03 0.00 0.00 46.19 42.30 2gqb s LEU 64 CO -0.00 -0.66 0.27 -0.70 0.23 0.00 0.00 176.35 175.49 2gqb s GLU 65 N -2.45 1.44 0.23 1.70 2.56 -1.26 -4.93 118.70 115.98 2gqb s GLU 65 Ca 0.59 -2.20 0.23 0.00 0.00 0.00 0.00 54.97 53.59 2gqb s GLU 65 Cb -0.27 -2.47 0.94 0.00 2.00 0.00 0.00 34.13 34.33 2gqb s GLU 65 CO 0.33 -1.18 1.69 -2.67 -0.56 0.00 0.00 175.26 172.87 2gqb n TRP 66 N 3.31 0.72 0.27 5.30 4.27 -1.26 -0.04 117.44 130.01 2gqb n TRP 66 Ca 0.11 0.28 0.14 0.00 -3.89 0.00 0.00 57.50 54.14 2gqb n TRP 66 Cb 0.35 -0.95 0.72 0.00 -1.36 0.00 0.00 31.31 30.08 2gqb n TRP 66 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gqb h ARG 67 N 0.00 0.00 0.00 -2.67 3.08 -1.92 -3.38 114.38 109.48 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2gqb h ARG 67 CO 0.00 0.10 0.00 -2.37 -1.07 0.00 0.00 179.97 176.63 2gqb n THR 68 N -3.39 0.00 -3.45 2.04 5.66 -1.05 -4.48 114.28 109.61 2gqb n THR 68 Ca -0.01 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.61 2gqb n THR 68 Cb 0.27 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.96 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 -1.51 6.23 0.09 1.09 0.01 0.94 -4.68 113.70 115.87 2gqb s SER 69 Ca 0.00 0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.56 2gqb s SER 69 Cb 0.00 -2.19 -0.23 0.00 0.21 0.00 0.00 66.02 63.81 2gqb s SER 69 CO 0.00 -0.12 1.16 -0.29 0.41 0.00 0.00 173.24 174.40 2gqb h ILE 70 N 5.28 1.54 0.00 1.44 6.09 -1.83 -3.27 117.51 126.77 2gqb h ILE 70 Ca -0.34 -3.23 -0.10 0.00 -1.37 0.00 0.00 64.86 59.82 2gqb h ILE 70 Cb 1.17 2.82 -0.01 0.00 0.47 0.00 0.00 36.82 41.27 2gqb h ILE 70 CO 0.64 0.90 -0.47 1.62 -3.07 0.00 0.00 178.15 177.77 2gqb h VAL 71 N 0.02 1.25 0.18 2.19 3.04 -1.92 -2.71 116.25 118.30 2gqb h VAL 71 Ca -0.08 -1.67 -0.30 0.00 -1.01 0.00 0.00 66.70 63.64 2gqb h VAL 71 Cb 1.86 1.92 0.03 0.00 -2.01 0.00 0.00 31.29 33.09 2gqb h VAL 71 CO 0.14 0.46 -1.28 0.44 -1.01 0.00 0.00 177.57 176.33 2gqb h ASP 72 N 0.00 0.82 0.56 3.17 3.32 -1.90 -3.03 116.42 119.37 2gqb h ASP 72 Ca -0.00 -0.88 -0.08 0.00 0.02 0.00 0.00 57.03 56.09 2gqb h ASP 72 Cb 0.88 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2gqb h ASP 72 CO 0.06 1.62 -0.37 0.17 -1.72 0.00 0.00 179.24 179.01 2gqb h LEU 73 N 0.14 0.00 0.59 1.55 8.10 -1.60 -1.15 115.31 122.94 2gqb h LEU 73 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.75 2gqb h LEU 73 Cb 1.98 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 42.20 2gqb h LEU 73 CO 0.24 0.37 -0.28 -0.03 -4.11 0.00 0.00 178.44 174.63 2gqb h MET 74 N 0.00 -0.76 0.00 0.17 4.05 -1.47 -2.78 114.93 114.14 2gqb h MET 74 Ca -0.00 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2gqb h MET 74 Cb 0.75 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2gqb h MET 74 CO 0.05 -0.47 -0.03 1.57 0.23 0.00 0.00 176.91 178.26 2gqb h LYS 75 N -0.91 0.00 0.14 0.39 2.10 -1.46 -2.78 116.57 114.06 2gqb h LYS 75 Ca -0.08 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2gqb h LYS 75 Cb 0.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2gqb h LYS 75 CO 0.13 0.03 -0.17 0.00 -2.00 0.00 0.00 179.45 177.44 2gqb h ALA 76 N 1.97 -0.32 0.00 0.07 0.00 -0.98 0.27 119.26 120.27 2gqb h ALA 76 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gqb h ALA 76 Cb 0.56 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gqb h ALA 76 CO 0.00 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.83 2gqb n LEU 77 N -5.29 0.00 -1.11 0.00 7.99 -1.07 -4.84 117.00 112.68 2gqb n LEU 77 Ca -0.07 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2gqb n LEU 77 Cb 0.21 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2gqb n LEU 77 CO 0.30 -0.09 0.00 -0.67 -1.51 0.00 0.00 177.39 175.41 2gqb n ASP 78 N -1.18 -1.48 -4.72 -1.43 2.03 0.08 -5.04 116.55 104.81 2gqb n ASP 78 Ca 0.09 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.15 2gqb n ASP 78 Cb 0.09 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.83 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 -2.74 4.00 0.28 5.18 -1.09 -1.06 -4.98 121.20 120.79 2gqb s ILE 79 Ca 0.00 -1.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.01 2gqb s ILE 79 Cb 0.00 -3.07 0.27 0.00 -1.58 0.00 0.00 42.46 38.08 2gqb s ILE 79 CO 0.00 -0.20 1.80 0.44 -1.23 0.00 0.00 174.94 175.75 2gqb h ASP 80 N 2.25 0.78 -0.02 3.58 3.32 -1.94 -3.40 116.42 120.99 2gqb h ASP 80 Ca -0.47 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2gqb h ASP 80 Cb 1.22 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2gqb h ASP 80 CO 0.60 0.36 -0.00 -1.54 -1.72 0.00 0.00 179.24 176.94 2gqb n SER 81 N -4.73 -4.75 -2.04 6.45 3.41 -1.26 -4.93 113.62 105.77 2gqb n SER 81 Ca 0.19 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2gqb n SER 81 Cb 0.43 -2.89 0.00 0.00 -0.26 0.00 0.00 64.21 61.49 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 -0.18 0.00 -0.30 4.04 2.88 -1.26 -4.67 113.62 114.12 2gqb n SER 82 Ca -0.00 -0.19 0.05 0.00 -1.33 0.00 0.00 58.87 57.40 2gqb n SER 82 Cb 0.40 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.67 -0.25 2.46 7.12 -1.99 -2.11 115.31 121.21 2gqb h LEU 83 Ca 0.00 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.09 2gqb h LEU 83 Cb 0.00 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 2gqb h LEU 83 CO 0.00 0.35 0.12 -1.28 -0.13 0.00 0.00 178.44 177.50 2gqb h SER 84 N 0.77 0.17 -0.18 1.25 0.87 -1.97 -0.70 113.55 113.76 2gqb h SER 84 Ca 0.44 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 2gqb h SER 84 Cb 0.48 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2gqb h SER 84 CO -0.29 0.13 -0.08 0.00 -0.53 0.00 0.00 176.83 176.06 2gqb h ALA 85 N 1.13 0.25 -0.25 6.23 0.00 -1.73 -1.44 119.26 123.45 2gqb h ALA 85 Ca 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2gqb h ALA 85 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2gqb h ALA 85 CO -0.08 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 2gqb h ARG 86 N 0.05 0.41 0.19 0.00 3.08 -1.33 -1.48 114.38 115.30 2gqb h ARG 86 Ca 0.04 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2gqb h ARG 86 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2gqb h ARG 86 CO 0.03 0.53 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.15 2gqb h LYS 87 N 0.39 -0.24 -0.22 0.04 3.64 -0.99 -3.18 116.57 116.00 2gqb h LYS 87 Ca 0.08 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 2gqb h LYS 87 Cb 0.44 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2gqb h LYS 87 CO 0.02 0.16 -0.52 1.05 -2.27 0.00 0.00 179.45 177.89 2gqb h GLU 88 N -0.77 0.64 -0.20 1.90 4.11 -1.15 -0.73 114.58 118.38 2gqb h GLU 88 Ca -0.03 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 2gqb h GLU 88 Cb 0.51 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2gqb h GLU 88 CO 0.04 1.00 0.09 1.25 0.07 0.00 0.00 179.01 181.46 2gqb h LEU 89 N 0.50 0.27 -1.11 3.06 5.85 -1.40 -0.48 115.31 121.99 2gqb h LEU 89 Ca 0.02 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2gqb h LEU 89 Cb 1.07 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2gqb h LEU 89 CO 0.10 0.34 -0.39 0.00 -0.34 0.00 0.00 178.44 178.15 2gqb h ALA 90 N 0.94 1.26 -0.35 1.25 0.00 -1.52 -3.04 119.26 117.80 2gqb h ALA 90 Ca 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2gqb h ALA 90 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gqb h ALA 90 CO -0.01 0.53 0.03 -0.22 0.00 0.00 0.00 179.25 179.58 2gqb h LYS 91 N 0.08 0.60 0.00 0.00 3.64 -0.50 0.16 116.57 120.55 2gqb h LYS 91 Ca 0.01 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 2gqb h LYS 91 Cb 0.73 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2gqb h LYS 91 CO 0.05 0.69 -0.31 0.93 -2.27 0.00 0.00 179.45 178.55 2gqb h GLU 92 N 0.42 0.00 0.00 1.90 4.39 -1.03 -2.32 114.58 117.95 2gqb h GLU 92 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2gqb h GLU 92 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2gqb h GLU 92 CO 0.01 0.31 -0.57 -0.07 -1.16 0.00 0.00 179.01 177.54 2gqb h LEU 93 N 0.00 0.00 0.00 1.33 3.38 -1.38 -3.48 115.31 115.16 2gqb h LEU 93 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2gqb h LEU 93 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2gqb h LEU 93 CO 0.04 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2gqb n GLY 94 N 1.29 3.17 1.58 0.83 0.00 -0.34 -4.97 105.19 106.75 2gqb n GLY 94 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.08 -3.99 1.61 4.19 0.43 -4.83 117.16 112.49 2gqb n TYR 95 Ca 0.00 1.24 -0.15 0.00 3.31 0.00 0.00 57.90 62.30 2gqb n TYR 95 Cb 0.00 -2.80 -0.15 0.00 0.49 0.00 0.00 39.34 36.88 2gqb n TYR 95 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2gqb s SER 96 N -0.26 0.37 0.00 2.98 0.01 -1.26 -5.06 113.70 110.47 2gqb s SER 96 Ca -0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2gqb s SER 96 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2gqb s SER 96 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2gqb n GLY 97 N 3.49 2.41 2.07 3.44 0.00 -1.26 -4.98 105.19 110.36 2gqb n GLY 97 Ca -0.19 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.29 0.08 1.61 2.03 -1.26 -4.94 116.55 112.78 2gqb n ASP 98 Ca 0.00 0.47 0.12 0.00 0.52 0.00 0.00 54.79 55.90 2gqb n ASP 98 Cb 0.00 1.36 0.06 0.00 -0.72 0.00 0.00 41.12 41.82 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 -3.19 0.47 0.00 -0.67 0.00 -1.26 -3.85 117.12 108.61 2gqb n MET 99 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 57.70 57.94 2gqb n MET 99 Cb 0.00 -1.75 0.66 0.00 0.00 0.00 0.00 33.22 32.13 2gqb n MET 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2gqb n ASN 100 N -2.41 0.33 -0.69 3.17 6.94 -1.26 -5.02 115.26 116.31 2gqb n ASN 100 Ca 0.01 -0.47 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 2gqb n ASN 100 Cb 0.50 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.05 -5.02 0.14 0.53 2.03 -1.25 -2.19 116.55 109.73 2gqb n ASP 101 Ca 0.15 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.58 2gqb n ASP 101 Cb 0.26 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.88 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gqb h SER 102 N 0.00 0.00 0.65 1.67 0.02 -1.95 -3.24 113.55 110.69 2gqb h SER 102 Ca 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2gqb h SER 102 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gqb h SER 102 CO 0.00 0.02 -0.37 0.00 -1.14 0.00 0.00 176.83 175.34 2gqb h ALA 103 N 2.24 -1.21 0.00 3.77 0.00 -2.00 -2.52 119.26 119.54 2gqb h ALA 103 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gqb h ALA 103 Cb 0.88 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2gqb h ALA 103 CO 0.00 -1.17 0.00 0.43 0.00 0.00 0.00 179.25 178.51 2gqb n SER 104 N -4.75 0.00 0.11 0.00 7.64 -0.93 -2.75 113.62 112.95 2gqb n SER 104 Ca -0.12 0.16 -0.03 0.00 1.01 0.00 0.00 58.87 59.90 2gqb n SER 104 Cb 0.39 -0.36 0.08 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.00 -0.14 1.43 -1.53 -1.48 -0.18 114.93 113.03 2gqb h MET 105 Ca 0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 2gqb h MET 105 Cb 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 2gqb h MET 105 CO 0.00 0.73 -0.51 -0.97 0.14 0.00 0.00 176.91 176.30 2gqb h ASN 106 N 0.00 0.41 0.27 1.39 -1.24 -1.30 -2.26 115.58 112.85 2gqb h ASN 106 Ca -0.01 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2gqb h ASN 106 Cb 1.31 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2gqb h ASN 106 CO 0.09 0.85 -0.13 0.40 -1.29 0.00 0.00 177.43 177.36 2gqb h ILE 107 N 0.30 0.59 -0.11 2.57 2.04 -1.59 -2.36 117.51 118.94 2gqb h ILE 107 Ca 0.01 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2gqb h ILE 107 Cb 1.00 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 2gqb h ILE 107 CO 0.09 0.14 -0.11 -0.25 0.00 0.00 0.00 178.15 178.01 2gqb h TRP 108 N -0.92 -0.27 -0.67 1.37 7.01 -1.12 -2.29 115.95 119.06 2gqb h TRP 108 Ca -0.04 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.99 2gqb h TRP 108 Cb 0.50 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 2gqb h TRP 108 CO 0.05 -0.17 0.44 1.25 -2.79 0.00 0.00 178.44 177.22 2gqb h LEU 109 N -0.13 0.76 -0.53 0.65 5.85 -1.51 -0.88 115.31 119.52 2gqb h LEU 109 Ca 0.08 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2gqb h LEU 109 Cb 0.25 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2gqb h LEU 109 CO -0.19 0.55 0.23 -0.74 -0.34 0.00 0.00 178.44 177.94 2gqb h HIS 110 N 0.90 0.41 -0.13 1.25 2.76 -1.17 -1.33 115.15 117.84 2gqb h HIS 110 Ca 0.25 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.26 2gqb h HIS 110 Cb -0.09 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.76 2gqb h HIS 110 CO -0.03 0.17 -0.66 0.87 -1.30 0.00 0.00 177.93 176.98 2gqb h LYS 111 N 0.44 0.51 -0.43 5.26 1.57 -0.83 -1.90 116.57 121.19 2gqb h LYS 111 Ca 0.25 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2gqb h LYS 111 Cb 0.22 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2gqb h LYS 111 CO -0.21 0.99 -0.16 0.37 -0.57 0.00 0.00 179.45 179.87 2gqb h GLN 112 N 0.36 0.81 -0.35 3.15 5.75 -0.87 -2.46 115.11 121.50 2gqb h GLN 112 Ca -0.02 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.08 2gqb h GLN 112 Cb 1.22 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 2gqb h GLN 112 CO 0.12 0.92 -0.20 0.28 -2.65 0.00 0.00 178.83 177.30 2gqb h VAL 113 N 0.72 1.27 -0.42 2.39 2.07 -1.12 -3.07 116.25 118.08 2gqb h VAL 113 Ca 0.11 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2gqb h VAL 113 Cb 0.67 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2gqb h VAL 113 CO 0.05 0.42 0.26 0.24 0.02 0.00 0.00 177.57 178.55 2gqb h MET 114 N 0.60 0.57 0.00 1.57 2.86 -0.87 -0.09 114.93 119.56 2gqb h MET 114 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2gqb h MET 114 Cb 0.67 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2gqb h MET 114 CO 0.05 0.40 0.00 0.45 1.06 0.00 0.00 176.91 178.87 2gqb n SER 115 N -4.45 0.26 -0.03 1.22 2.88 -1.10 -3.02 113.62 109.37 2gqb n SER 115 Ca 0.03 0.59 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 2gqb n SER 115 Cb 0.08 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 2gqb n SER 115 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2gqb n LYS 116 N -1.82 0.26 0.01 -1.46 4.76 -0.19 -4.55 118.16 115.17 2gqb n LYS 116 Ca 0.01 0.10 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2gqb n LYS 116 Cb 0.10 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 2gqb n LYS 116 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2gqb h LEU 117 N -0.48 -0.16 -0.91 -0.35 7.12 -1.14 -1.63 115.31 117.75 2gqb h LEU 117 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2gqb h LEU 117 Cb 0.48 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 2gqb h LEU 117 CO 0.00 -0.05 0.00 -0.37 -0.13 0.00 0.00 178.44 177.89 2gqb h VAL 118 N -0.07 0.00 0.00 1.05 -1.51 -1.79 -0.71 116.25 113.21 2gqb h VAL 118 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2gqb h VAL 118 Cb 0.07 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2gqb h VAL 118 CO -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.31 2gqb n ALA 119 N -1.84 1.97 1.22 5.19 0.00 -0.65 -1.13 120.51 125.27 2gqb n ALA 119 Ca 0.02 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2gqb n ALA 119 Cb 0.23 -1.35 0.61 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.59 0.00 0.00 0.00 5.03 -0.27 -4.78 115.26 113.65 2gqb n ASN 120 Ca 0.05 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.14 2gqb n ASN 120 Cb 0.26 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 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 0.48 1.85 3.86 7.41 0.00 -0.95 -5.01 105.19 112.82 2gqb n GLY 121 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 2.39 -0.14 -0.02 0.00 -0.28 -0.94 107.32 106.32 2gqb s GLY 122 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.40 2gqb s GLY 122 CO 0.00 -0.03 0.02 1.25 0.00 0.00 0.00 173.10 174.34 2gqb s LYS 123 N -1.94 3.50 0.06 2.90 2.36 0.21 -4.78 119.74 122.04 2gqb s LYS 123 Ca 0.35 -0.40 0.04 0.00 -2.55 0.00 0.00 55.97 53.41 2gqb s LYS 123 Cb -0.14 -2.98 -0.03 0.00 -1.05 0.00 0.00 37.83 33.63 2gqb s LYS 123 CO 0.19 0.46 -0.11 -0.48 1.55 0.00 0.00 175.35 176.96 2gqb s LEU 124 N -0.19 2.29 0.91 5.43 -0.00 -1.26 -2.51 118.68 123.35 2gqb s LEU 124 Ca 0.06 -0.63 -0.11 0.00 -0.00 0.00 0.00 54.13 53.45 2gqb s LEU 124 Cb -0.12 -0.32 0.14 0.00 -0.00 0.00 0.00 46.19 45.89 2gqb s LEU 124 CO 0.02 -0.17 1.09 -2.84 -0.00 0.00 0.00 176.35 174.45 2gqb s PRO 125 N -1.89 1.12 0.00 1.48 0.02 -1.26 -4.89 135.00 129.59 2gqb s PRO 125 Ca -0.04 1.00 0.00 0.00 0.02 0.00 0.00 61.00 61.98 2gqb s PRO 125 Cb -0.08 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2gqb s PRO 125 CO 0.01 -2.38 0.49 -0.35 -0.33 0.00 0.00 177.00 174.44 2gqb n PRO 126 N -4.00 0.57 -0.00 5.54 -0.04 -1.26 -2.44 135.00 133.37 2gqb n PRO 126 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2gqb n PRO 126 Cb 0.54 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqb n GLU 127 N 0.57 0.94 -3.06 0.54 1.02 -1.26 -4.84 120.64 114.55 2gqb n GLU 127 Ca 0.00 -0.10 -0.45 0.00 -0.02 0.00 0.00 57.16 56.60 2gqb n GLU 127 Cb 0.24 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gqb s ILE 128 N -2.91 5.08 0.00 -3.67 1.09 -1.02 -4.70 121.20 115.07 2gqb s ILE 128 Ca -0.02 -2.08 0.00 0.00 -1.10 0.00 0.00 60.65 57.45 2gqb s ILE 128 Cb 0.11 -4.71 0.00 0.00 -1.06 0.00 0.00 42.46 36.80 2gqb s ILE 128 CO 0.67 -1.38 0.00 0.29 -0.10 0.00 0.00 174.94 174.41 2gqb n LYS 129 N 5.52 0.00 0.00 2.79 5.02 -1.26 -5.03 118.16 125.20 2gqb n LYS 129 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2gqb n LYS 129 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46