#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 -1.01 0.21 1.61 0.01 -1.26 -5.18 113.70 108.08 2gqj s SER 2 Ca 0.00 1.51 -0.05 0.00 1.31 0.00 0.00 55.95 58.72 2gqj s SER 2 Cb 0.00 1.77 -0.03 0.00 0.21 0.00 0.00 66.02 67.97 2gqj s SER 2 CO 0.00 -0.23 0.25 -0.94 0.41 0.00 0.00 173.24 172.73 2gqj s SER 3 N 2.16 0.07 0.00 2.44 1.04 -1.26 -5.14 113.70 113.02 2gqj s SER 3 Ca -0.08 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2gqj s SER 3 Cb -0.08 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2gqj s SER 3 CO -0.19 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2gqj n GLY 4 N -0.29 -0.30 3.27 7.32 0.00 -1.26 -5.17 105.19 108.76 2gqj n GLY 4 Ca -0.00 0.66 -0.31 0.00 0.00 0.00 0.00 46.02 46.37 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqj s SER 5 N 0.00 3.04 -0.09 1.61 0.15 -1.26 -5.12 113.70 112.03 2gqj s SER 5 Ca 0.00 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 2gqj s SER 5 Cb 0.00 -0.72 0.12 0.00 -1.71 0.00 0.00 66.02 63.71 2gqj s SER 5 CO 0.00 0.26 0.95 -0.55 1.20 0.00 0.00 173.24 175.10 2gqj s SER 6 N -0.27 -0.36 0.26 5.45 0.15 -1.26 -5.19 113.70 112.48 2gqj s SER 6 Ca -0.00 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.71 2gqj s SER 6 Cb -0.13 0.34 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2gqj s SER 6 CO 0.03 -0.47 0.69 0.61 1.20 0.00 0.00 173.24 175.30 2gqj n GLY 7 N 0.23 1.04 3.76 9.45 0.00 -1.26 -5.17 105.19 113.25 2gqj n GLY 7 Ca -0.09 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2gqj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 8 N -2.06 2.11 0.00 1.61 0.04 -1.26 -4.85 135.00 130.58 2gqj s PRO 8 Ca 0.14 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2gqj s PRO 8 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2gqj s PRO 8 CO 0.08 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2gqj n GLY 9 N -1.20 0.27 3.08 0.56 0.00 -1.26 -5.16 105.19 101.49 2gqj n GLY 9 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2gqj n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqj n GLY 10 N 0.00 -3.75 0.06 -0.02 0.00 -1.26 -4.95 105.19 95.27 2gqj n GLY 10 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.04 -2.66 1.61 0.13 -2.04 -3.37 132.00 125.71 2gqj h PRO 11 Ca -0.36 -0.02 -0.63 0.00 -0.87 0.00 0.00 66.00 64.12 2gqj h PRO 11 Cb 1.23 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.95 2gqj h PRO 11 CO 0.22 0.52 -0.46 0.39 -0.23 0.00 0.00 178.00 178.43 2gqj n GLU 12 N -4.82 2.40 -0.09 0.86 1.02 -1.26 -4.87 120.64 113.88 2gqj n GLU 12 Ca -0.08 -4.59 -0.12 0.00 -0.02 0.00 0.00 57.16 52.35 2gqj n GLU 12 Cb 0.26 -2.30 -0.05 0.00 -0.02 0.00 0.00 31.44 29.34 2gqj n GLU 12 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2gqj n GLU 13 N 1.40 0.50 0.11 3.49 4.07 -1.26 -3.68 120.64 125.27 2gqj n GLU 13 Ca 0.25 0.46 -0.17 0.00 -0.06 0.00 0.00 57.16 57.64 2gqj n GLU 13 Cb 0.38 -1.64 -0.14 0.00 -0.06 0.00 0.00 31.44 29.97 2gqj n GLU 13 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2gqj h GLN 14 N -1.00 0.31 -0.49 5.31 4.15 -1.92 -2.94 115.11 118.53 2gqj h GLN 14 Ca -0.14 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 58.68 2gqj h GLN 14 Cb 0.88 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2gqj h GLN 14 CO -0.09 1.24 0.05 -1.49 -1.93 0.00 0.00 178.83 176.62 2gqj h TRP 15 N 0.09 0.89 -0.24 3.99 6.55 -1.91 0.30 115.95 125.62 2gqj h TRP 15 Ca -0.17 -0.13 -0.12 0.00 0.95 0.00 0.00 58.89 59.42 2gqj h TRP 15 Cb 2.01 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 30.06 2gqj h TRP 15 CO 0.07 0.83 -0.34 0.37 -1.05 0.00 0.00 178.44 178.32 2gqj h GLN 16 N 0.70 0.51 0.18 0.49 5.75 -1.66 -2.27 115.11 118.80 2gqj h GLN 16 Ca 0.15 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2gqj h GLN 16 Cb 0.44 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2gqj h GLN 16 CO 0.01 0.78 -0.09 0.00 -2.65 0.00 0.00 178.83 176.89 2gqj h ARG 17 N 0.43 -0.24 -0.73 1.69 3.08 -1.32 -3.25 114.38 114.05 2gqj h ARG 17 Ca 0.05 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.33 2gqj h ARG 17 Cb 0.80 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 2gqj h ARG 17 CO 0.07 -0.07 0.60 0.00 -1.07 0.00 0.00 179.97 179.50 2gqj h ALA 18 N -0.93 2.59 0.20 0.04 0.00 -0.49 0.25 119.26 120.92 2gqj h ALA 18 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2gqj h ALA 18 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gqj h ALA 18 CO 0.04 -0.98 -0.10 0.82 0.00 0.00 0.00 179.25 179.04 2gqj h ILE 19 N 0.00 0.00 0.00 0.00 2.04 -1.46 -2.70 117.51 115.39 2gqj h ILE 19 Ca 0.34 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.15 2gqj h ILE 19 Cb 1.55 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2gqj h ILE 19 CO -0.00 0.00 -0.16 -0.74 0.00 0.00 0.00 178.15 177.25 2gqj h HIS 20 N -0.29 0.00 0.06 1.37 -0.00 -1.49 0.27 115.15 115.07 2gqj h HIS 20 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2gqj h HIS 20 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 2gqj h HIS 20 CO 0.17 0.16 -0.19 0.93 -0.00 0.00 0.00 177.93 178.99 2gqj h GLU 21 N 0.00 -0.33 0.00 5.26 5.08 -0.48 -3.41 114.58 120.70 2gqj h GLU 21 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2gqj h GLU 21 Cb 0.48 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2gqj h GLU 21 CO 0.02 -0.22 -0.39 2.89 -1.00 0.00 0.00 179.01 180.31 2gqj n ARG 22 N -5.32 0.02 0.08 2.33 1.85 -1.02 -5.07 116.66 109.52 2gqj n ARG 22 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2gqj n ARG 22 Cb 0.24 -0.53 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 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 3.26 -1.84 3.45 2.89 0.00 0.92 -5.07 105.19 108.81 2gqj n GLY 23 Ca -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2gqj n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gqj s GLU 24 N -1.41 1.28 -0.69 1.61 2.56 -1.15 -4.28 118.70 116.62 2gqj s GLU 24 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.97 54.13 2gqj s GLU 24 Cb 0.00 0.50 0.17 0.00 2.00 0.00 0.00 34.13 36.80 2gqj s GLU 24 CO 0.00 -0.53 0.50 0.00 -0.56 0.00 0.00 175.26 174.67 2gqj s ALA 25 N -3.86 3.73 1.09 6.30 0.00 -1.26 -4.62 121.76 123.15 2gqj s ALA 25 Ca 0.08 -3.47 -0.16 0.00 0.00 0.00 0.00 51.96 48.41 2gqj s ALA 25 Cb 0.00 -2.59 0.22 0.00 0.00 0.00 0.00 23.12 20.75 2gqj s ALA 25 CO -0.05 -2.11 1.04 1.33 0.00 0.00 0.00 175.76 175.97 2gqj n VAL 26 N 2.99 0.00 -1.64 0.00 0.24 -1.26 -4.77 118.33 113.89 2gqj n VAL 26 Ca 0.12 -0.65 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 2gqj n VAL 26 Cb 0.37 -1.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 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 7.88 0.49 -0.01 0.00 -0.04 -1.26 0.14 135.00 142.20 2gqj n PRO 28 Ca 0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2gqj n PRO 28 Cb 0.41 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.60 0.84 -0.03 0.52 -1.04 -1.26 -4.87 114.28 107.83 2gqj n THR 29 Ca 0.02 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2gqj n THR 29 Cb 0.01 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 -0.03 -1.30 -3.54 0.00 6.94 0.12 -4.94 115.26 112.52 2gqj n ASN 31 Ca 0.00 -1.06 -0.28 0.00 -0.02 0.00 0.00 54.58 53.22 2gqj n ASN 31 Cb 0.02 -2.86 -0.11 0.00 -2.36 0.00 0.00 39.78 34.48 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2gqj s VAL 32 N -3.89 0.93 0.19 3.53 -7.23 -1.26 -4.72 120.40 107.94 2gqj s VAL 32 Ca 0.12 -2.83 0.01 0.00 -1.81 0.00 0.00 61.98 57.46 2gqj s VAL 32 Cb -0.05 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 2gqj s VAL 32 CO 0.90 -1.12 0.23 1.33 -0.31 0.00 0.00 175.10 176.13 2gqj n VAL 33 N 2.91 0.00 -0.89 1.32 0.24 -1.26 -4.91 118.33 115.74 2gqj n VAL 33 Ca 0.23 -1.10 -0.36 0.00 -2.04 0.00 0.00 64.34 61.07 2gqj n VAL 33 Cb 0.42 0.62 0.08 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.33 0.00 -0.13 3.34 -1.04 -1.26 -4.80 114.28 110.06 2gqj n THR 34 Ca 0.02 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.05 61.76 2gqj n THR 34 Cb 0.32 -0.23 0.06 0.00 -1.82 0.00 0.00 70.33 68.66 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 -1.36 0.88 0.00 -2.82 3.08 -2.03 -2.88 114.38 109.24 2gqj h ARG 35 Ca -0.45 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.21 2gqj h ARG 35 Cb 1.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2gqj h ARG 35 CO 0.28 0.99 -0.40 0.87 -1.07 0.00 0.00 179.97 180.63 2gqj h LYS 36 N 0.78 0.00 -6.68 0.04 6.56 -2.00 -3.48 116.57 111.79 2gqj h LYS 36 Ca 0.11 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.16 2gqj h LYS 36 Cb 0.71 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.21 2gqj h LYS 36 CO 0.05 0.20 -0.85 0.25 -2.06 0.00 0.00 179.45 177.04 2gqj n THR 37 N -3.08 -1.61 -0.02 -0.16 -2.24 -1.09 -4.65 114.28 101.43 2gqj n THR 37 Ca 0.02 -0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 2gqj n THR 37 Cb 0.63 -1.95 -0.02 0.00 -2.10 0.00 0.00 70.33 66.89 2gqj n THR 37 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gqj n LEU 38 N -4.41 0.78 -0.03 3.22 -0.00 -1.26 -4.40 117.00 110.89 2gqj n LEU 38 Ca -0.05 0.12 -0.10 0.00 -0.00 0.00 0.00 56.01 55.98 2gqj n LEU 38 Cb 0.56 -0.29 -0.14 0.00 -0.00 0.00 0.00 43.42 43.55 2gqj n LEU 38 CO 0.83 -0.13 -0.66 1.33 -0.00 0.00 0.00 177.39 178.76 2gqj n VAL 39 N -3.46 1.58 0.05 1.96 0.24 -1.26 -4.24 118.33 113.20 2gqj n VAL 39 Ca -0.10 -0.80 -0.08 0.00 -2.04 0.00 0.00 64.34 61.32 2gqj n VAL 39 Cb 0.43 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 31.70 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 3.46 0.02 -0.26 7.63 0.00 -1.96 -3.25 103.07 108.71 2gqj h GLY 40 Ca -0.34 -0.05 0.30 0.00 0.00 0.00 0.00 47.33 47.24 2gqj h GLY 40 CO 0.07 0.04 0.73 -2.00 0.00 0.00 0.00 176.54 175.39 2gqj h LEU 41 N 0.00 0.29 0.00 3.11 5.85 -1.77 0.49 115.31 123.29 2gqj h LEU 41 Ca -0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2gqj h LEU 41 Cb 1.83 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 2gqj h LEU 41 CO 0.12 0.04 -0.26 0.11 -0.34 0.00 0.00 178.44 178.11 2gqj h LYS 42 N 0.25 0.00 0.00 1.25 1.57 -1.79 -2.51 116.57 115.34 2gqj h LYS 42 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2gqj h LYS 42 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.12 2gqj h LYS 42 CO -0.21 0.06 0.24 0.87 -0.57 0.00 0.00 179.45 179.83 2gqj h LYS 43 N -1.00 0.00 0.04 3.15 6.56 -1.48 -0.13 116.57 123.71 2gqj h LYS 43 Ca -0.01 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.22 2gqj h LYS 43 Cb 0.29 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.91 2gqj h LYS 43 CO -0.01 0.00 -2.07 1.58 -2.06 0.00 0.00 179.45 176.89 2gqj n HIS 44 N -2.21 0.65 -0.23 -1.35 -0.00 0.17 -4.34 115.22 107.91 2gqj n HIS 44 Ca -0.01 0.19 -0.01 0.00 -0.00 0.00 0.00 57.72 57.88 2gqj n HIS 44 Cb 0.26 -1.08 0.19 0.00 -0.00 0.00 0.00 29.99 29.37 2gqj n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gqj h MET 45 N -0.36 1.02 -0.66 1.57 -0.00 -0.60 0.41 114.93 116.30 2gqj h MET 45 Ca -0.50 -0.11 0.12 0.00 -0.00 0.00 0.00 59.70 59.21 2gqj h MET 45 Cb 1.77 -0.21 -0.13 0.00 -0.00 0.00 0.00 31.60 33.04 2gqj h MET 45 CO -0.11 0.75 -0.27 1.05 -0.00 0.00 0.00 176.91 178.32 2gqj h GLU 46 N 1.03 -0.08 0.05 -0.10 4.11 -1.41 -2.14 114.58 116.03 2gqj h GLU 46 Ca 0.26 0.01 -0.31 0.00 0.07 0.00 0.00 59.36 59.39 2gqj h GLU 46 Cb 0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2gqj h GLU 46 CO -0.04 -0.06 -1.70 -0.39 0.07 0.00 0.00 179.01 176.89 2gqj h VAL 47 N -0.09 0.91 -0.57 -1.06 -1.51 -1.72 -3.40 116.25 108.81 2gqj h VAL 47 Ca 0.29 -2.68 0.05 0.00 -1.23 0.00 0.00 66.70 63.13 2gqj h VAL 47 Cb 0.54 2.53 -0.07 0.00 -2.13 0.00 0.00 31.29 32.17 2gqj h VAL 47 CO -0.72 0.68 -0.34 0.00 -1.23 0.00 0.00 177.57 175.96 2gqj h GLN 49 N 0.00 0.16 -0.55 0.00 4.20 -1.72 0.40 115.11 117.60 2gqj h GLN 49 Ca 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2gqj h GLN 49 Cb 0.23 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2gqj h GLN 49 CO -0.53 0.10 0.28 -0.22 -0.67 0.00 0.00 178.83 177.79 2gqj h LYS 50 N 0.16 0.79 0.57 1.46 3.11 0.46 -3.04 116.57 120.08 2gqj h LYS 50 Ca 0.42 -0.11 -0.03 0.00 -2.81 0.00 0.00 60.65 58.12 2gqj h LYS 50 Cb 0.74 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2gqj h LYS 50 CO -0.60 0.63 -0.27 -0.07 -2.81 0.00 0.00 179.45 176.32 2gqj h LEU 51 N 0.75 -0.65 -0.67 5.20 3.38 0.20 -3.06 115.31 120.46 2gqj h LEU 51 Ca 0.19 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.40 2gqj h LEU 51 Cb 0.09 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 2gqj h LEU 51 CO -0.03 -0.35 0.12 1.67 0.09 0.00 0.00 178.44 179.95 2gqj n GLN 52 N -4.69 -0.05 0.22 1.13 -0.06 0.12 0.15 117.38 114.20 2gqj n GLN 52 Ca -0.09 0.97 -0.15 0.00 -2.00 0.00 0.00 57.00 55.73 2gqj n GLN 52 Cb 0.30 -1.61 -0.08 0.00 -4.06 0.00 0.00 30.24 24.79 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2gqj h ASP 53 N 0.00 -0.43 -0.31 1.69 3.58 -1.49 -2.55 116.42 116.91 2gqj h ASP 53 Ca 0.46 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.94 2gqj h ASP 53 Cb 1.05 0.11 -0.08 0.00 1.72 0.00 0.00 39.33 42.13 2gqj h ASP 53 CO -0.59 -0.27 -0.55 0.00 -2.88 0.00 0.00 179.24 174.95 2gqj h ALA 54 N 0.05 -0.81 -0.86 -0.78 0.00 0.14 -0.29 119.26 116.71 2gqj h ALA 54 Ca -0.05 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.04 2gqj h ALA 54 Cb 0.42 1.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 2gqj h ALA 54 CO 0.09 -1.06 0.33 -0.07 0.00 0.00 0.00 179.25 178.53 2gqj h LEU 55 N -0.46 0.22 -9.58 0.00 -0.00 -1.42 -3.40 115.31 100.66 2gqj h LEU 55 Ca 0.06 0.16 -0.55 0.00 -0.00 0.00 0.00 57.88 57.55 2gqj h LEU 55 Cb 0.63 0.16 0.06 0.00 -0.00 0.00 0.00 40.66 41.51 2gqj h LEU 55 CO -0.54 -0.03 0.93 1.17 -0.00 0.00 0.00 178.44 179.97 2gqj n LYS 56 N -5.09 2.51 -1.41 1.13 4.81 -0.12 -4.11 118.16 115.88 2gqj n LYS 56 Ca 0.20 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 58.25 2gqj n LYS 56 Cb 0.61 -2.72 0.23 0.00 0.02 0.00 0.00 35.03 33.17 2gqj n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gqj n GLN 58 N -4.48 0.00 -0.10 0.00 3.00 -1.26 -3.95 117.38 110.59 2gqj n GLN 58 Ca 0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.06 2gqj n GLN 58 Cb 0.60 -0.47 -0.01 0.00 0.00 0.00 0.00 30.24 30.36 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2gqj h HIS 59 N 0.00 0.41 0.00 1.08 3.86 -2.00 -3.11 115.15 115.39 2gqj h HIS 59 Ca 0.00 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2gqj h HIS 59 Cb 0.90 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 2gqj h HIS 59 CO 0.00 0.25 -1.80 0.00 0.86 0.00 0.00 177.93 177.24 2gqj n ARG 61 N -2.44 -4.59 -4.39 0.00 3.00 -1.18 -5.03 116.66 102.04 2gqj n ARG 61 Ca -0.07 0.84 -0.25 0.00 -0.01 0.00 0.00 57.85 58.37 2gqj n ARG 61 Cb 0.65 -5.79 -0.13 0.00 0.00 0.00 0.00 32.46 27.18 2gqj n ARG 61 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2gqj s LYS 62 N -4.90 1.21 -0.07 5.56 1.02 -1.26 -4.87 119.74 116.43 2gqj s LYS 62 Ca 0.20 -1.12 -0.20 0.00 0.02 0.00 0.00 55.97 54.87 2gqj s LYS 62 Cb -0.03 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 2gqj s LYS 62 CO 0.72 0.35 0.56 -1.14 -0.92 0.00 0.00 175.35 174.92 2gqj s GLN 63 N -1.73 4.35 -0.20 1.68 2.00 -1.26 -0.44 119.66 124.05 2gqj s GLN 63 Ca 0.07 0.63 0.01 0.00 -2.00 0.00 0.00 55.36 54.07 2gqj s GLN 63 Cb -0.10 -3.41 0.03 0.00 0.80 0.00 0.00 33.01 30.34 2gqj s GLN 63 CO 0.04 0.20 -0.16 -0.06 -0.50 0.00 0.00 175.29 174.81 2gqj s PHE 64 N 0.42 2.81 -0.09 1.67 0.40 -1.26 -4.98 117.98 116.95 2gqj s PHE 64 Ca 0.30 -1.80 -0.00 0.00 -0.60 0.00 0.00 56.93 54.83 2gqj s PHE 64 Cb -0.17 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.58 2gqj s PHE 64 CO 0.14 -0.81 1.84 1.63 0.70 0.00 0.00 175.22 178.72 2gqj n LYS 65 N 4.59 1.23 -3.56 0.44 4.76 -1.26 -4.69 118.16 119.66 2gqj n LYS 65 Ca -0.18 -0.46 -0.01 0.00 -2.87 0.00 0.00 58.31 54.79 2gqj n LYS 65 Cb 0.47 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2gqj s SER 66 N 1.31 -0.76 0.04 4.39 1.04 -1.26 -5.05 113.70 113.40 2gqj s SER 66 Ca 0.09 1.11 -0.24 0.00 0.48 0.00 0.00 55.95 57.39 2gqj s SER 66 Cb 0.07 1.67 -0.17 0.00 0.10 0.00 0.00 66.02 67.69 2gqj s SER 66 CO 0.00 -0.16 1.53 0.50 0.98 0.00 0.00 173.24 176.09 2gqj h LYS 67 N 7.19 -0.04 -1.00 4.02 3.64 -1.99 -2.23 116.57 126.16 2gqj h LYS 67 Ca -0.22 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2gqj h LYS 67 Cb 1.15 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 2gqj h LYS 67 CO 0.13 0.17 0.65 0.00 -2.27 0.00 0.00 179.45 178.13 2gqj h ALA 68 N 0.72 1.37 -0.49 5.00 0.00 -1.99 -2.38 119.26 121.50 2gqj h ALA 68 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2gqj h ALA 68 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2gqj h ALA 68 CO 0.01 0.49 0.23 0.78 0.00 0.00 0.00 179.25 180.76 2gqj h GLY 69 N 1.22 0.75 0.93 0.00 0.00 -1.94 -2.44 103.07 101.59 2gqj h GLY 69 Ca 0.42 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2gqj h GLY 69 CO -0.15 0.36 0.63 -2.00 0.00 0.00 0.00 176.54 175.38 2gqj h LEU 70 N 0.64 1.05 0.61 3.11 5.85 -0.91 0.23 115.31 125.90 2gqj h LEU 70 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2gqj h LEU 70 Cb 0.12 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 40.91 2gqj h LEU 70 CO -0.02 0.72 -0.30 0.78 -0.34 0.00 0.00 178.44 179.29 2gqj h ASN 71 N 1.22 -0.70 -0.05 1.25 2.35 -1.17 0.26 115.58 118.74 2gqj h ASN 71 Ca 0.38 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.09 2gqj h ASN 71 Cb -0.00 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2gqj h ASN 71 CO -0.12 -0.43 -0.04 0.22 -1.65 0.00 0.00 177.43 175.42 2gqj h TYR 72 N -0.94 0.24 0.03 1.19 5.03 -1.26 0.44 116.97 121.70 2gqj h TYR 72 Ca -0.08 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.21 2gqj h TYR 72 Cb 0.67 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.88 2gqj h TYR 72 CO -0.01 0.28 -0.01 1.25 -1.32 0.00 0.00 178.16 178.34 2gqj h HIS 73 N 0.23 -0.04 0.01 -3.82 2.76 -0.36 -1.92 115.15 112.02 2gqj h HIS 73 Ca 0.05 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2gqj h HIS 73 Cb 0.22 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2gqj h HIS 73 CO 0.00 0.47 -0.01 1.15 -1.30 0.00 0.00 177.93 178.25 2gqj h THR 74 N -0.57 1.15 -0.95 6.26 2.02 -0.29 0.43 112.91 120.96 2gqj h THR 74 Ca -0.00 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.76 2gqj h THR 74 Cb 0.53 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2gqj h THR 74 CO 0.01 0.13 0.60 0.00 0.37 0.00 0.00 175.52 176.63 2gqj h MET 75 N -0.23 1.02 0.18 6.66 -0.00 -1.01 0.60 114.93 122.14 2gqj h MET 75 Ca -0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 2gqj h MET 75 Cb 0.23 -0.23 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2gqj h MET 75 CO 0.00 0.67 -0.09 0.00 -0.00 0.00 0.00 176.91 177.50 2gqj h ALA 76 N 1.46 -0.30 0.06 -3.00 0.00 -1.19 -3.23 119.26 113.06 2gqj h ALA 76 Ca 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2gqj h ALA 76 Cb 0.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2gqj h ALA 76 CO -0.20 -0.28 -0.03 0.93 0.00 0.00 0.00 179.25 179.66 2gqj h GLU 77 N -0.82 -0.08 -3.90 0.00 4.39 -0.11 -3.35 114.58 110.71 2gqj h GLU 77 Ca -0.02 0.01 -0.77 0.00 0.34 0.00 0.00 59.36 58.91 2gqj h GLU 77 Cb 0.19 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 28.65 2gqj h GLU 77 CO 0.04 -0.06 1.28 0.72 -1.16 0.00 0.00 179.01 179.83 2gqj n HIS 78 N -2.28 4.08 -1.46 4.33 8.25 0.21 -4.99 115.22 123.35 2gqj n HIS 78 Ca -0.01 -3.20 -0.59 0.00 -0.26 0.00 0.00 57.72 53.66 2gqj n HIS 78 Cb 0.03 -1.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.16 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj n SER 79 N 3.93 1.40 -4.69 0.41 2.88 -1.13 -4.16 113.62 112.26 2gqj n SER 79 Ca 0.34 0.78 -0.63 0.00 -1.33 0.00 0.00 58.87 58.02 2gqj n SER 79 Cb 0.39 -1.01 -0.09 0.00 -0.75 0.00 0.00 64.21 62.75 2gqj n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqj n ALA 80 N 7.01 -1.52 -1.77 -1.46 0.00 -1.26 -4.85 120.51 116.65 2gqj n ALA 80 Ca 0.43 0.50 -0.40 0.00 0.00 0.00 0.00 53.44 53.96 2gqj n ALA 80 Cb 0.04 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 2gqj n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gqj s LYS 81 N 2.42 4.22 0.00 0.00 1.02 -1.26 -4.89 119.74 121.25 2gqj s LYS 81 Ca 1.00 2.19 0.15 0.00 0.02 0.00 0.00 55.97 59.33 2gqj s LYS 81 Cb -1.34 -2.96 0.74 0.00 -0.52 0.00 0.00 37.83 33.75 2gqj s LYS 81 CO 0.72 -0.29 1.41 -0.35 -0.92 0.00 0.00 175.35 175.92 2gqj n PRO 82 N 0.56 0.20 -1.80 -1.68 -0.04 -1.26 -4.81 135.00 126.17 2gqj n PRO 82 Ca 0.01 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.28 2gqj n PRO 82 Cb 0.42 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2gqj n PRO 82 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqj s SER 83 N -2.59 4.95 0.62 3.54 0.01 -1.26 -4.95 113.70 114.02 2gqj s SER 83 Ca 0.14 2.24 -0.18 0.00 1.31 0.00 0.00 55.95 59.46 2gqj s SER 83 Cb 0.10 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2gqj s SER 83 CO 0.23 -1.75 0.77 -0.90 0.41 0.00 0.00 173.24 172.00 2gqj n ASP 84 N -2.12 -0.10 -0.05 2.44 5.68 -1.26 -4.92 116.55 116.22 2gqj n ASP 84 Ca 0.12 0.74 -0.14 0.00 -0.50 0.00 0.00 54.79 55.00 2gqj n ASP 84 Cb 0.51 -1.30 -0.08 0.00 -1.14 0.00 0.00 41.12 39.11 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gqj h ALA 85 N 0.19 0.21 -1.81 2.12 0.00 -1.94 -3.46 119.26 114.58 2gqj h ALA 85 Ca -0.47 -0.42 -0.62 0.00 0.00 0.00 0.00 54.91 53.40 2gqj h ALA 85 Cb 1.37 -0.03 0.15 0.00 0.00 0.00 0.00 17.79 19.28 2gqj h ALA 85 CO 0.48 0.25 -0.60 -1.91 0.00 0.00 0.00 179.25 177.47 2gqj n GLU 86 N -4.39 0.33 -0.11 0.00 0.00 -1.26 -4.84 120.64 110.36 2gqj n GLU 86 Ca -0.07 0.12 -0.05 0.00 0.00 0.00 0.00 57.16 57.16 2gqj n GLU 86 Cb 0.48 -1.29 0.02 0.00 0.00 0.00 0.00 31.44 30.65 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gqj h ALA 87 N 0.66 0.28 -4.61 4.31 0.00 -2.03 -3.46 119.26 114.41 2gqj h ALA 87 Ca -0.38 0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 2gqj h ALA 87 Cb 1.42 0.26 0.11 0.00 0.00 0.00 0.00 17.79 19.58 2gqj h ALA 87 CO 0.50 -0.44 -0.53 0.45 0.00 0.00 0.00 179.25 179.24 2gqj n SER 88 N -5.26 -3.91 -0.22 0.00 2.88 -1.26 -4.91 113.62 100.93 2gqj n SER 88 Ca 0.02 -0.42 -0.01 0.00 -1.33 0.00 0.00 58.87 57.13 2gqj n SER 88 Cb 0.21 -3.86 0.05 0.00 -0.75 0.00 0.00 64.21 59.86 2gqj n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2gqj h GLU 89 N -1.75 -0.05 0.00 -1.46 3.07 -2.02 -3.44 114.58 108.94 2gqj h GLU 89 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2gqj h GLU 89 Cb 1.26 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2gqj h GLU 89 CO 0.39 -0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 2gqj n GLY 90 N -1.45 0.00 2.57 -3.84 0.00 -1.26 -5.18 105.19 96.02 2gqj n GLY 90 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 3.36 3.38 -0.02 0.00 -1.26 -5.18 105.19 105.47 2gqj n GLY 91 Ca 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2gqj n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqj s GLU 92 N -3.17 1.42 -0.13 1.61 1.03 -1.26 -5.10 118.70 113.10 2gqj s GLU 92 Ca 0.20 -1.50 -0.08 0.00 0.03 0.00 0.00 54.97 53.62 2gqj s GLU 92 Cb 0.01 0.37 0.05 0.00 -0.80 0.00 0.00 34.13 33.75 2gqj s GLU 92 CO 0.14 -0.53 0.33 -1.54 -1.33 0.00 0.00 175.26 172.33 2gqj s SER 93 N -3.12 -0.38 0.77 0.83 1.04 -1.26 -5.17 113.70 106.41 2gqj s SER 93 Ca 0.32 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.41 2gqj s SER 93 Cb 0.03 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.86 2gqj s SER 93 CO 0.12 -0.17 0.60 0.61 0.98 0.00 0.00 173.24 175.38 2gqj n GLY 94 N 3.95 -0.24 3.77 7.32 0.00 -1.26 -5.05 105.19 113.67 2gqj n GLY 94 Ca -0.22 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 2gqj n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 95 N -4.13 3.46 0.17 1.61 0.04 -1.26 -5.05 135.00 129.84 2gqj s PRO 95 Ca 0.37 1.65 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2gqj s PRO 95 Cb -0.02 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2gqj s PRO 95 CO 0.25 -0.77 0.18 -1.12 0.04 0.00 0.00 177.00 175.58 2gqj s SER 96 N -1.67 5.73 0.54 6.66 0.01 -1.26 -5.13 113.70 118.58 2gqj s SER 96 Ca 0.70 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.98 2gqj s SER 96 Cb -0.25 -1.56 0.07 0.00 0.21 0.00 0.00 66.02 64.49 2gqj s SER 96 CO 0.29 0.05 0.75 -0.44 0.41 0.00 0.00 173.24 174.30 2gqj s SER 97 N -3.22 5.20 0.00 2.44 0.01 -1.26 -5.36 113.70 111.51 2gqj s SER 97 Ca 0.32 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2gqj s SER 97 Cb -0.10 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2gqj s SER 97 CO 0.25 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.29