#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqj s SER 2 N 0.00 2.73 -1.01 1.61 0.15 -1.26 -5.08 113.70 110.85 2gqj s SER 2 Ca 0.00 -0.80 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 2gqj s SER 2 Cb 0.00 -0.38 0.14 0.00 -1.71 0.00 0.00 66.02 64.07 2gqj s SER 2 CO 0.00 -0.35 1.22 -0.44 1.20 0.00 0.00 173.24 174.87 2gqj s SER 3 N 2.04 6.74 -0.39 5.45 0.01 -1.26 -4.67 113.70 121.62 2gqj s SER 3 Ca 0.02 -2.27 0.09 0.00 1.31 0.00 0.00 55.95 55.10 2gqj s SER 3 Cb -0.16 -2.41 0.37 0.00 0.21 0.00 0.00 66.02 64.03 2gqj s SER 3 CO -0.13 -1.00 1.35 0.61 0.41 0.00 0.00 173.24 174.47 2gqj n GLY 4 N 5.19 1.22 0.15 3.44 0.00 -1.26 -4.99 105.19 108.94 2gqj n GLY 4 Ca 0.28 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2gqj n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gqj h SER 5 N 1.89 0.43 -3.99 1.61 4.64 -2.04 -3.44 113.55 112.64 2gqj h SER 5 Ca -0.31 -0.39 -0.54 0.00 -0.47 0.00 0.00 61.79 60.09 2gqj h SER 5 Cb 1.30 -0.12 0.19 0.00 -0.31 0.00 0.00 62.40 63.46 2gqj h SER 5 CO -0.09 0.72 0.14 -1.20 -0.87 0.00 0.00 176.83 175.53 2gqj n SER 6 N -4.58 0.37 0.00 4.97 7.64 -1.26 -5.02 113.62 115.74 2gqj n SER 6 Ca -0.05 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2gqj n SER 6 Cb 0.30 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2gqj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqj n GLY 7 N 0.77 -0.27 3.56 0.23 0.00 -1.26 -5.06 105.19 103.16 2gqj n GLY 7 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2gqj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqj n PRO 8 N -0.68 -3.19 0.02 1.61 -0.04 -1.26 -5.00 135.00 126.46 2gqj n PRO 8 Ca 0.00 -1.78 -0.01 0.00 -0.04 0.00 0.00 63.50 61.68 2gqj n PRO 8 Cb 0.00 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 31.79 2gqj n PRO 8 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gqj h GLY 9 N -2.75 -0.34 0.00 0.55 0.00 -2.04 -3.50 103.07 94.99 2gqj h GLY 9 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2gqj h GLY 9 CO 0.27 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.30 2gqj n GLY 10 N -1.03 0.73 0.08 4.60 0.00 -1.26 -4.73 105.19 103.58 2gqj n GLY 10 Ca -0.01 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 2gqj n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj h PRO 11 N 8.17 0.10 -2.65 1.61 0.13 -2.07 -3.40 132.00 133.90 2gqj h PRO 11 Ca 0.00 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.48 2gqj h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2gqj h PRO 11 CO 0.00 0.56 -0.83 -1.21 -0.23 0.00 0.00 178.00 176.29 2gqj s GLU 12 N -4.25 1.27 -0.16 0.86 8.01 -1.26 -4.95 118.70 118.22 2gqj s GLU 12 Ca -0.15 -2.28 -0.16 0.00 0.01 0.00 0.00 54.97 52.38 2gqj s GLU 12 Cb 0.03 -2.00 -0.23 0.00 -4.31 0.00 0.00 34.13 27.62 2gqj s GLU 12 CO 0.70 -1.31 0.32 1.05 0.01 0.00 0.00 175.26 176.02 2gqj h GLU 13 N 5.91 0.12 0.09 1.61 4.11 -1.85 -3.29 114.58 121.29 2gqj h GLU 13 Ca 0.17 -0.20 -0.36 0.00 0.07 0.00 0.00 59.36 59.04 2gqj h GLU 13 Cb 0.88 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2gqj h GLU 13 CO 0.45 1.10 -2.02 0.94 0.07 0.00 0.00 179.01 179.55 2gqj n GLN 14 N -4.06 0.73 -0.17 1.06 7.27 -1.26 -3.52 117.38 117.43 2gqj n GLN 14 Ca -0.31 0.25 -0.07 0.00 0.07 0.00 0.00 57.00 56.94 2gqj n GLN 14 Cb 0.83 -1.70 0.02 0.00 2.41 0.00 0.00 30.24 31.80 2gqj n GLN 14 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 2gqj h TRP 15 N 0.05 0.65 -0.51 3.69 6.55 -1.93 -2.79 115.95 121.67 2gqj h TRP 15 Ca -0.42 -0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.34 2gqj h TRP 15 Cb 2.02 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 30.09 2gqj h TRP 15 CO 0.06 0.46 0.05 1.96 -1.05 0.00 0.00 178.44 179.92 2gqj h GLN 16 N 0.66 0.86 -1.02 0.49 1.08 -1.74 -0.85 115.11 114.58 2gqj h GLN 16 Ca 0.18 -0.25 0.25 0.00 -1.45 0.00 0.00 58.65 57.38 2gqj h GLN 16 Cb 0.00 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.25 2gqj h GLN 16 CO -0.03 0.87 0.65 0.00 -0.95 0.00 0.00 178.83 179.37 2gqj h ARG 17 N 0.73 0.42 0.03 1.46 3.08 -1.54 0.93 114.38 119.49 2gqj h ARG 17 Ca 0.15 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.89 2gqj h ARG 17 Cb 0.44 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2gqj h ARG 17 CO 0.02 0.28 -1.61 0.00 -1.07 0.00 0.00 179.97 177.58 2gqj h ALA 18 N 1.63 0.61 -0.06 0.04 0.00 -1.35 -2.30 119.26 117.82 2gqj h ALA 18 Ca 0.58 -1.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2gqj h ALA 18 Cb 1.42 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2gqj h ALA 18 CO -0.30 1.45 0.02 0.82 0.00 0.00 0.00 179.25 181.24 2gqj h ILE 19 N 0.02 1.02 0.00 0.00 2.04 0.60 0.93 117.51 122.12 2gqj h ILE 19 Ca -0.25 -0.07 -0.37 0.00 1.00 0.00 0.00 64.86 65.17 2gqj h ILE 19 Cb 1.98 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 2gqj h ILE 19 CO 0.10 0.03 -2.36 0.00 0.00 0.00 0.00 178.15 175.92 2gqj n HIS 20 N -4.52 0.07 0.21 1.37 1.44 -0.44 -2.83 115.22 110.53 2gqj n HIS 20 Ca -0.02 0.02 -0.13 0.00 -2.01 0.00 0.00 57.72 55.59 2gqj n HIS 20 Cb 0.10 -1.01 -0.07 0.00 0.12 0.00 0.00 29.99 29.12 2gqj n HIS 20 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2gqj h GLU 21 N 0.00 -0.56 0.00 -1.40 5.08 -1.13 -3.40 114.58 113.17 2gqj h GLU 21 Ca -0.54 0.04 -0.39 0.00 -1.00 0.00 0.00 59.36 57.47 2gqj h GLU 21 Cb 2.19 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 31.50 2gqj h GLU 21 CO 0.02 -0.26 -2.38 2.89 -1.00 0.00 0.00 179.01 178.28 2gqj n ARG 22 N -5.19 0.57 0.00 2.33 1.85 0.17 -5.06 116.66 111.33 2gqj n ARG 22 Ca -0.10 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2gqj n ARG 22 Cb 0.29 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gqj n GLY 23 N 1.94 1.49 3.32 2.89 0.00 -0.32 -5.02 105.19 109.50 2gqj n GLY 23 Ca -0.46 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 2gqj n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqj s GLU 24 N 0.00 0.86 -0.59 1.61 1.03 -1.23 -4.37 118.70 116.01 2gqj s GLU 24 Ca 0.00 -0.23 -0.05 0.00 0.03 0.00 0.00 54.97 54.72 2gqj s GLU 24 Cb 0.00 0.39 0.15 0.00 -0.80 0.00 0.00 34.13 33.87 2gqj s GLU 24 CO 0.00 -0.28 0.43 0.00 -1.33 0.00 0.00 175.26 174.08 2gqj s ALA 25 N -1.96 3.55 1.24 -0.84 0.00 -1.26 -4.54 121.76 117.94 2gqj s ALA 25 Ca -0.08 -3.06 -0.18 0.00 0.00 0.00 0.00 51.96 48.63 2gqj s ALA 25 Cb -0.02 -2.74 0.27 0.00 0.00 0.00 0.00 23.12 20.63 2gqj s ALA 25 CO 0.01 -2.05 0.93 1.33 0.00 0.00 0.00 175.76 175.98 2gqj n VAL 26 N 3.90 0.00 -1.70 0.00 0.24 -1.26 -4.75 118.33 114.76 2gqj n VAL 26 Ca 0.05 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 2gqj n VAL 26 Cb 0.40 -1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 2gqj n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj n PRO 28 N 5.88 0.49 -0.02 0.00 -0.04 -1.26 0.35 135.00 140.40 2gqj n PRO 28 Ca 0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2gqj n PRO 28 Cb 0.38 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 2gqj n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gqj n THR 29 N -0.64 1.09 -0.08 0.52 -1.04 -1.26 -4.86 114.28 108.01 2gqj n THR 29 Ca 0.03 0.18 -0.08 0.00 -2.04 0.00 0.00 64.05 62.13 2gqj n THR 29 Cb 0.01 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 66.60 2gqj n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqj n ASN 31 N -2.64 -2.20 -3.32 0.00 3.02 0.15 -4.96 115.26 105.31 2gqj n ASN 31 Ca -0.28 -0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 54.10 2gqj n ASN 31 Cb 1.04 -1.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.47 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2gqj s VAL 32 N -3.09 -0.86 0.07 2.41 -7.23 -1.26 -4.74 120.40 105.68 2gqj s VAL 32 Ca 0.03 -0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 2gqj s VAL 32 Cb -0.01 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 36.05 2gqj s VAL 32 CO 0.19 -0.03 0.59 1.33 -0.31 0.00 0.00 175.10 176.88 2gqj n VAL 33 N 5.41 0.00 -0.97 1.32 0.24 -1.26 -4.63 118.33 118.43 2gqj n VAL 33 Ca -0.04 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 2gqj n VAL 33 Cb 0.50 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 33.30 2gqj n VAL 33 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2gqj n THR 34 N -0.42 0.00 0.40 3.34 -1.04 -1.26 -4.83 114.28 110.46 2gqj n THR 34 Ca -0.00 -0.49 -0.16 0.00 -2.04 0.00 0.00 64.05 61.37 2gqj n THR 34 Cb 0.31 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.75 2gqj n THR 34 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2gqj h ARG 35 N -0.97 -0.98 0.00 -2.82 3.08 -2.01 -2.98 114.38 107.71 2gqj h ARG 35 Ca -0.43 0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 2gqj h ARG 35 Cb 1.27 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 2gqj h ARG 35 CO 0.22 -0.65 -0.27 0.87 -1.07 0.00 0.00 179.97 179.07 2gqj h LYS 36 N -1.01 0.00 -4.03 0.04 1.79 -1.93 -3.43 116.57 108.00 2gqj h LYS 36 Ca -0.10 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.98 2gqj h LYS 36 Cb 0.78 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.47 2gqj h LYS 36 CO 0.16 0.27 -0.57 0.25 -1.08 0.00 0.00 179.45 178.48 2gqj n THR 37 N -3.99 -1.76 -0.10 -0.16 -2.24 -1.13 -4.38 114.28 100.53 2gqj n THR 37 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2gqj n THR 37 Cb 0.34 -3.31 -0.05 0.00 -2.10 0.00 0.00 70.33 65.22 2gqj n THR 37 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gqj n LEU 38 N -3.69 1.91 -0.01 3.22 7.99 -1.26 -3.95 117.00 121.21 2gqj n LEU 38 Ca -0.13 0.40 -0.14 0.00 -0.01 0.00 0.00 56.01 56.13 2gqj n LEU 38 Cb 0.63 -0.80 -0.14 0.00 -0.11 0.00 0.00 43.42 43.00 2gqj n LEU 38 CO 0.42 -0.12 -0.64 1.33 -1.51 0.00 0.00 177.39 176.88 2gqj n VAL 39 N -4.45 1.69 0.04 4.08 0.24 -1.26 -4.16 118.33 114.51 2gqj n VAL 39 Ca -0.22 -0.74 -0.18 0.00 -2.04 0.00 0.00 64.34 61.17 2gqj n VAL 39 Cb 0.55 -1.33 -0.08 0.00 -1.47 0.00 0.00 33.84 31.51 2gqj n VAL 39 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2gqj h GLY 40 N 2.50 0.70 0.07 7.63 0.00 -1.96 -2.69 103.07 109.33 2gqj h GLY 40 Ca -0.34 -1.19 0.05 0.00 0.00 0.00 0.00 47.33 45.85 2gqj h GLY 40 CO 0.08 1.05 -0.36 -2.00 0.00 0.00 0.00 176.54 175.32 2gqj h LEU 41 N 0.37 -1.13 0.56 3.11 5.85 -1.74 0.62 115.31 122.94 2gqj h LEU 41 Ca -0.10 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2gqj h LEU 41 Cb 1.62 0.48 0.01 0.00 0.37 0.00 0.00 40.66 43.13 2gqj h LEU 41 CO 0.19 -0.38 -0.27 0.11 -0.34 0.00 0.00 178.44 177.74 2gqj h LYS 42 N -0.42 -0.72 -0.40 1.25 1.57 -1.72 0.42 116.57 116.54 2gqj h LYS 42 Ca 0.09 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 2gqj h LYS 42 Cb 0.58 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2gqj h LYS 42 CO -0.39 -0.48 0.64 0.87 -0.57 0.00 0.00 179.45 179.52 2gqj h LYS 43 N -0.99 0.00 0.00 3.15 1.57 -1.41 -2.14 116.57 116.75 2gqj h LYS 43 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2gqj h LYS 43 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2gqj h LYS 43 CO 0.13 0.00 -0.07 1.25 -0.57 0.00 0.00 179.45 180.19 2gqj h HIS 44 N 0.00 0.00 -1.11 -1.35 2.76 0.45 -3.35 115.15 112.55 2gqj h HIS 44 Ca 0.19 0.00 0.32 0.00 -2.20 0.00 0.00 60.37 58.69 2gqj h HIS 44 Cb 1.47 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.39 2gqj h HIS 44 CO 0.00 0.00 1.19 0.00 -1.30 0.00 0.00 177.93 177.82 2gqj n MET 45 N -2.92 0.01 -0.23 5.26 0.00 0.12 0.21 117.12 119.56 2gqj n MET 45 Ca -0.01 0.97 0.04 0.00 0.00 0.00 0.00 57.70 58.71 2gqj n MET 45 Cb 0.04 -2.40 0.16 0.00 0.00 0.00 0.00 33.22 31.01 2gqj n MET 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2gqj h GLU 46 N 0.00 0.21 0.03 3.17 5.08 -1.54 -2.77 114.58 118.77 2gqj h GLU 46 Ca 0.53 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.52 2gqj h GLU 46 Cb 2.90 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 32.05 2gqj h GLU 46 CO -0.01 0.14 -2.20 1.33 -1.00 0.00 0.00 179.01 177.28 2gqj n VAL 47 N -5.20 1.55 -0.35 3.13 0.24 0.13 -4.44 118.33 113.39 2gqj n VAL 47 Ca 0.13 -0.71 -0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2gqj n VAL 47 Cb 0.43 -1.15 0.05 0.00 -1.47 0.00 0.00 33.84 31.69 2gqj n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj h GLN 49 N 0.00 0.58 -0.40 0.00 4.15 -1.72 0.24 115.11 117.97 2gqj h GLN 49 Ca 0.33 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.59 2gqj h GLN 49 Cb 0.56 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2gqj h GLN 49 CO -0.91 0.39 -0.26 0.87 -1.93 0.00 0.00 178.83 176.99 2gqj h LYS 50 N 0.60 0.84 0.42 1.69 1.57 0.16 -3.07 116.57 118.78 2gqj h LYS 50 Ca 0.62 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2gqj h LYS 50 Cb 1.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2gqj h LYS 50 CO -0.42 1.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.20 2gqj h LEU 51 N 0.72 -0.47 -1.27 2.94 3.38 0.38 -2.38 115.31 118.61 2gqj h LEU 51 Ca 0.09 0.02 0.46 0.00 0.09 0.00 0.00 57.88 58.54 2gqj h LEU 51 Cb 0.81 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2gqj h LEU 51 CO 0.07 -0.29 0.78 0.00 0.09 0.00 0.00 178.44 179.09 2gqj n GLN 52 N -3.79 -0.04 -0.02 1.13 -0.00 -0.50 0.95 117.38 115.11 2gqj n GLN 52 Ca -0.07 1.30 -0.12 0.00 -0.00 0.00 0.00 57.00 58.11 2gqj n GLN 52 Cb 0.22 -2.49 -0.08 0.00 -0.00 0.00 0.00 30.24 27.89 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2gqj h ASP 53 N 0.00 0.10 -0.25 2.61 3.58 -1.42 0.18 116.42 121.21 2gqj h ASP 53 Ca 0.88 -0.35 0.05 0.00 0.42 0.00 0.00 57.03 58.03 2gqj h ASP 53 Cb 2.67 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 43.65 2gqj h ASP 53 CO -0.56 0.42 -0.04 0.00 -2.88 0.00 0.00 179.24 176.18 2gqj h ALA 54 N 0.68 0.19 -0.18 -0.78 0.00 0.11 -2.13 119.26 117.15 2gqj h ALA 54 Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2gqj h ALA 54 Cb 0.38 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2gqj h ALA 54 CO 0.00 -0.45 -0.43 -0.07 0.00 0.00 0.00 179.25 178.30 2gqj h LEU 55 N 0.03 0.45 -9.42 0.00 -0.00 -1.32 -3.43 115.31 101.61 2gqj h LEU 55 Ca 0.12 -0.20 -0.53 0.00 -0.00 0.00 0.00 57.88 57.27 2gqj h LEU 55 Cb 0.18 -0.13 0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2gqj h LEU 55 CO -0.24 0.82 1.18 -0.75 -0.00 0.00 0.00 178.44 179.46 2gqj s LYS 56 N -4.16 4.14 0.61 1.13 2.36 0.61 -4.47 119.74 119.97 2gqj s LYS 56 Ca -0.06 2.61 -0.16 0.00 -2.55 0.00 0.00 55.97 55.81 2gqj s LYS 56 Cb 0.13 -3.92 -0.02 0.00 -1.05 0.00 0.00 37.83 32.96 2gqj s LYS 56 CO 0.80 -0.91 1.09 0.00 1.55 0.00 0.00 175.35 177.88 2gqj n GLN 58 N -2.09 1.54 -0.17 0.00 1.13 -1.26 -2.69 117.38 113.83 2gqj n GLN 58 Ca 0.10 0.02 -0.10 0.00 -1.94 0.00 0.00 57.00 55.08 2gqj n GLN 58 Cb 0.52 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.53 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2gqj h HIS 59 N 0.00 0.93 0.00 1.08 3.86 -2.01 -3.30 115.15 115.72 2gqj h HIS 59 Ca -0.37 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.58 2gqj h HIS 59 Cb 1.77 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.98 2gqj h HIS 59 CO 0.00 0.87 -1.84 0.00 0.86 0.00 0.00 177.93 177.82 2gqj n ARG 61 N -2.25 -4.74 -4.04 0.00 5.12 -1.10 -5.02 116.66 104.63 2gqj n ARG 61 Ca -0.11 0.57 -0.34 0.00 -1.93 0.00 0.00 57.85 56.04 2gqj n ARG 61 Cb 0.64 -4.77 -0.15 0.00 -1.16 0.00 0.00 32.46 27.03 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2gqj s LYS 62 N -5.22 2.94 0.32 5.56 2.20 -1.24 -4.92 119.74 119.38 2gqj s LYS 62 Ca 0.12 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 2gqj s LYS 62 Cb -0.05 -2.77 -0.11 0.00 -1.51 0.00 0.00 37.83 33.38 2gqj s LYS 62 CO 0.49 -0.29 1.50 -1.14 -0.36 0.00 0.00 175.35 175.55 2gqj s GLN 63 N 1.31 4.16 -0.09 4.03 -0.44 -1.26 -3.16 119.66 124.22 2gqj s GLN 63 Ca 0.03 2.49 0.03 0.00 -2.50 0.00 0.00 55.36 55.41 2gqj s GLN 63 Cb -0.15 -3.02 0.01 0.00 -1.64 0.00 0.00 33.01 28.21 2gqj s GLN 63 CO -0.09 -0.51 -0.16 -0.06 0.50 0.00 0.00 175.29 174.97 2gqj s PHE 64 N -0.54 1.86 -0.62 1.67 0.08 -1.26 -4.99 117.98 114.18 2gqj s PHE 64 Ca 0.57 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.86 2gqj s PHE 64 Cb -0.46 -1.32 0.42 0.00 -0.57 0.00 0.00 43.02 41.10 2gqj s PHE 64 CO 0.53 -0.36 1.79 1.17 -0.10 0.00 0.00 175.22 178.25 2gqj n LYS 65 N 3.85 2.95 -3.23 0.44 4.81 -1.26 -4.67 118.16 121.05 2gqj n LYS 65 Ca -0.21 -3.63 0.04 0.00 -0.87 0.00 0.00 58.31 53.64 2gqj n LYS 65 Cb 0.52 -2.28 -0.03 0.00 0.02 0.00 0.00 35.03 33.26 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2gqj s SER 66 N -2.14 -0.31 0.20 3.14 1.04 -1.26 -5.02 113.70 109.34 2gqj s SER 66 Ca 0.58 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 2gqj s SER 66 Cb 0.46 1.31 0.25 0.00 0.10 0.00 0.00 66.02 68.15 2gqj s SER 66 CO -0.12 -0.06 1.66 0.50 0.98 0.00 0.00 173.24 176.21 2gqj h LYS 67 N 7.54 0.09 -0.87 4.02 3.64 -2.00 0.95 116.57 129.95 2gqj h LYS 67 Ca -0.14 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2gqj h LYS 67 Cb 1.14 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 2gqj h LYS 67 CO -0.01 0.06 0.56 0.00 -2.27 0.00 0.00 179.45 177.80 2gqj h ALA 68 N 1.53 1.62 -0.07 5.00 0.00 -2.00 -2.44 119.26 122.91 2gqj h ALA 68 Ca 0.30 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2gqj h ALA 68 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2gqj h ALA 68 CO -0.51 0.22 -0.09 0.78 0.00 0.00 0.00 179.25 179.65 2gqj h GLY 69 N 0.89 -0.04 0.91 0.00 0.00 -1.21 -2.64 103.07 100.98 2gqj h GLY 69 Ca 0.39 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.84 2gqj h GLY 69 CO -0.16 -0.10 0.22 -2.00 0.00 0.00 0.00 176.54 174.51 2gqj h LEU 70 N -0.12 0.36 -0.36 3.11 5.85 -1.20 0.25 115.31 123.19 2gqj h LEU 70 Ca 0.06 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2gqj h LEU 70 Cb 0.20 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2gqj h LEU 70 CO -0.14 0.26 -0.54 0.78 -0.34 0.00 0.00 178.44 178.46 2gqj h ASN 71 N 0.45 -1.79 0.01 1.25 2.35 -1.17 0.12 115.58 116.80 2gqj h ASN 71 Ca 0.15 0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2gqj h ASN 71 Cb 0.01 0.73 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2gqj h ASN 71 CO -0.07 -0.41 -0.00 0.22 -1.65 0.00 0.00 177.43 175.51 2gqj h TYR 72 N -0.42 -0.01 -0.77 1.19 5.03 -1.35 -2.75 116.97 117.89 2gqj h TYR 72 Ca 0.08 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.49 2gqj h TYR 72 Cb 0.61 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.77 2gqj h TYR 72 CO -0.69 0.37 -0.44 1.25 -1.32 0.00 0.00 178.16 177.33 2gqj h HIS 73 N -0.39 -1.32 0.43 -3.82 2.76 -0.10 0.55 115.15 113.26 2gqj h HIS 73 Ca -0.00 0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2gqj h HIS 73 Cb 0.38 0.68 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2gqj h HIS 73 CO 0.06 -0.41 -0.34 1.15 -1.30 0.00 0.00 177.93 177.09 2gqj h THR 74 N -0.12 0.30 0.00 6.26 2.02 -0.81 0.24 112.91 120.80 2gqj h THR 74 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 2gqj h THR 74 Cb 0.55 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2gqj h THR 74 CO -0.82 0.00 0.00 0.80 0.37 0.00 0.00 175.52 175.88 2gqj n MET 75 N -5.46 0.07 -0.06 6.66 0.00 -0.55 -1.46 117.12 116.32 2gqj n MET 75 Ca -0.11 0.56 -0.04 0.00 -0.00 0.00 0.00 57.70 58.11 2gqj n MET 75 Cb 0.36 -1.72 -0.01 0.00 0.00 0.00 0.00 33.22 31.85 2gqj n MET 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gqj n ALA 76 N -1.63 0.43 -0.33 -5.12 0.00 0.18 -4.70 120.51 109.34 2gqj n ALA 76 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2gqj n ALA 76 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2gqj n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gqj n GLU 77 N -4.15 0.00 -2.50 0.00 4.71 0.70 -4.66 120.64 114.74 2gqj n GLU 77 Ca -0.07 0.27 -0.39 0.00 -0.01 0.00 0.00 57.16 56.96 2gqj n GLU 77 Cb 0.25 -0.74 -0.03 0.00 -1.01 0.00 0.00 31.44 29.91 2gqj n GLU 77 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2gqj s HIS 78 N -0.67 2.45 -0.12 -0.32 3.76 -0.53 -4.87 115.29 114.99 2gqj s HIS 78 Ca 0.00 -0.68 -0.33 0.00 -0.15 0.00 0.00 55.06 53.90 2gqj s HIS 78 Cb 0.00 -4.62 0.13 0.00 1.11 0.00 0.00 32.58 29.20 2gqj s HIS 78 CO 0.00 -1.91 1.25 0.45 -0.85 0.00 0.00 174.74 173.67 2gqj s SER 79 N 5.33 -0.10 -0.66 1.40 0.15 -1.21 -4.06 113.70 114.55 2gqj s SER 79 Ca 0.49 -0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 2gqj s SER 79 Cb -0.01 0.15 0.17 0.00 -1.71 0.00 0.00 66.02 64.62 2gqj s SER 79 CO -0.09 -0.26 0.60 0.00 1.20 0.00 0.00 173.24 174.70 2gqj s ALA 80 N -2.41 3.82 0.05 5.45 0.00 -1.26 -5.02 121.76 122.38 2gqj s ALA 80 Ca 0.11 -2.86 -0.34 0.00 0.00 0.00 0.00 51.96 48.87 2gqj s ALA 80 Cb 0.02 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 2gqj s ALA 80 CO -0.04 -2.12 1.67 1.63 0.00 0.00 0.00 175.76 176.90 2gqj n LYS 81 N 4.70 2.04 0.00 0.00 4.01 -1.26 -4.82 118.16 122.83 2gqj n LYS 81 Ca -0.02 0.74 0.05 0.00 -0.51 0.00 0.00 58.31 58.57 2gqj n LYS 81 Cb 0.43 -2.52 0.31 0.00 -0.51 0.00 0.00 35.03 32.74 2gqj n LYS 81 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2gqj n PRO 82 N 4.56 0.49 -1.61 1.97 -0.04 -1.26 -4.84 135.00 134.26 2gqj n PRO 82 Ca 0.19 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 63.07 2gqj n PRO 82 Cb 0.28 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 2gqj n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gqj n SER 83 N -0.84 1.94 -4.36 3.54 3.41 -1.26 -4.70 113.62 111.35 2gqj n SER 83 Ca 0.08 0.93 -0.56 0.00 -0.26 0.00 0.00 58.87 59.06 2gqj n SER 83 Cb 0.04 -1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 62.80 2gqj n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gqj n ASP 84 N 6.19 1.40 -3.55 4.04 9.92 -1.26 -4.89 116.55 128.40 2gqj n ASP 84 Ca 0.33 0.60 -0.15 0.00 -0.53 0.00 0.00 54.79 55.05 2gqj n ASP 84 Cb 0.09 -1.06 -0.05 0.00 -0.64 0.00 0.00 41.12 39.46 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gqj s ALA 85 N 6.34 -1.44 0.13 2.24 0.00 -1.26 -5.05 121.76 122.71 2gqj s ALA 85 Ca 1.14 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 2gqj s ALA 85 Cb -1.22 0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.26 2gqj s ALA 85 CO 0.60 -0.50 1.16 -1.91 0.00 0.00 0.00 175.76 175.11 2gqj n GLU 86 N 0.46 -0.29 -2.65 0.00 0.00 -1.26 -3.01 120.64 113.88 2gqj n GLU 86 Ca -0.18 1.14 -0.42 0.00 0.00 0.00 0.00 57.16 57.70 2gqj n GLU 86 Cb 0.60 -1.68 -0.03 0.00 0.00 0.00 0.00 31.44 30.33 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gqj s ALA 87 N -5.47 2.88 0.15 4.31 0.00 -1.26 -4.95 121.76 117.42 2gqj s ALA 87 Ca -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 51.96 49.69 2gqj s ALA 87 Cb 0.10 -4.32 -0.03 0.00 0.00 0.00 0.00 23.12 18.87 2gqj s ALA 87 CO 0.48 -3.35 0.16 -1.54 0.00 0.00 0.00 175.76 171.51 2gqj s SER 88 N 4.35 0.19 0.24 0.00 1.04 -1.16 -5.06 113.70 113.30 2gqj s SER 88 Ca 0.39 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.81 2gqj s SER 88 Cb -0.04 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 2gqj s SER 88 CO -0.03 -0.81 -0.11 -1.83 0.98 0.00 0.00 173.24 171.44 2gqj s GLU 89 N -4.02 1.43 0.00 4.02 4.04 -1.26 -5.11 118.70 117.80 2gqj s GLU 89 Ca 0.22 -1.68 0.00 0.00 0.04 0.00 0.00 54.97 53.56 2gqj s GLU 89 Cb 0.06 -1.16 0.00 0.00 0.02 0.00 0.00 34.13 33.05 2gqj s GLU 89 CO 0.02 0.13 0.00 0.41 -1.84 0.00 0.00 175.26 173.98 2gqj n GLY 90 N -0.47 5.33 0.00 -3.83 0.00 -1.26 -5.11 105.19 99.85 2gqj n GLY 90 Ca -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2gqj n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqj n GLY 91 N 2.28 5.35 3.13 -0.02 0.00 -1.26 -5.18 105.19 109.48 2gqj n GLY 91 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 2gqj n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gqj s GLU 92 N 2.30 0.56 0.28 1.61 2.02 -1.26 -5.18 118.70 119.04 2gqj s GLU 92 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.51 2gqj s GLU 92 Cb 0.00 0.23 -0.06 0.00 0.10 0.00 0.00 34.13 34.40 2gqj s GLU 92 CO 0.00 -0.14 0.05 -1.54 0.02 0.00 0.00 175.26 173.65 2gqj s SER 93 N -1.69 1.91 -0.48 -0.19 1.04 -1.26 -5.12 113.70 107.91 2gqj s SER 93 Ca -0.11 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.05 2gqj s SER 93 Cb -0.05 0.01 0.22 0.00 0.10 0.00 0.00 66.02 66.30 2gqj s SER 93 CO -0.01 -0.61 0.75 0.61 0.98 0.00 0.00 173.24 174.96 2gqj n GLY 94 N -0.55 0.45 2.50 7.32 0.00 -1.26 -5.15 105.19 108.50 2gqj n GLY 94 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2gqj n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqj n PRO 95 N 2.04 -2.54 -4.35 1.61 -0.04 -1.26 -5.09 135.00 125.38 2gqj n PRO 95 Ca 0.15 -1.25 -0.19 0.00 -0.04 0.00 0.00 63.50 62.17 2gqj n PRO 95 Cb 0.59 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 2gqj n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqj s SER 96 N -3.61 2.61 -0.24 3.54 0.15 -1.26 -5.07 113.70 109.82 2gqj s SER 96 Ca 0.51 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 2gqj s SER 96 Cb -0.05 -0.14 -0.13 0.00 -1.71 0.00 0.00 66.02 63.99 2gqj s SER 96 CO 0.39 -0.14 -0.26 -0.24 1.20 0.00 0.00 173.24 174.19 2gqj n SER 97 N -0.27 1.97 0.00 5.45 2.88 -1.26 -5.36 113.62 117.03 2gqj n SER 97 Ca -0.09 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2gqj n SER 97 Cb 0.60 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2gqj n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42