#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 4.34 -0.18 1.61 0.15 -1.26 -5.08 113.70 113.28 2gqj s SER 2 Ca 0.00 -1.77 -0.08 0.00 0.70 0.00 0.00 55.95 54.80 2gqj s SER 2 Cb 0.00 -1.29 0.07 0.00 -1.71 0.00 0.00 66.02 63.09 2gqj s SER 2 CO 0.00 -0.36 0.41 -0.55 1.20 0.00 0.00 173.24 173.95 2gqj s SER 3 N 1.23 -0.39 0.00 5.45 0.15 -1.26 -5.11 113.70 113.77 2gqj s SER 3 Ca 0.06 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2gqj s SER 3 Cb -0.18 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2gqj s SER 3 CO -0.13 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2gqj n GLY 4 N 4.75 -0.22 3.51 9.45 0.00 -1.26 -5.19 105.19 116.23 2gqj n GLY 4 Ca -0.17 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj s SER 5 N 0.00 2.76 0.19 1.61 0.01 -1.26 -5.13 113.70 111.88 2gqj s SER 5 Ca 0.00 -1.58 -0.30 0.00 1.31 0.00 0.00 55.95 55.38 2gqj s SER 5 Cb 0.00 0.33 -0.08 0.00 0.21 0.00 0.00 66.02 66.48 2gqj s SER 5 CO 0.00 -0.83 1.12 -0.94 0.41 0.00 0.00 173.24 173.00 2gqj s SER 6 N -3.59 7.23 0.00 2.44 1.04 -1.26 -5.04 113.70 114.53 2gqj s SER 6 Ca 0.26 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2gqj s SER 6 Cb 0.04 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2gqj s SER 6 CO 0.14 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2gqj n GLY 7 N 2.00 3.22 3.62 7.32 0.00 -1.26 -5.12 105.19 114.96 2gqj n GLY 7 Ca 0.03 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 4.48 -0.77 0.12 1.61 0.04 -1.26 -4.93 135.00 134.29 2gqj s PRO 8 Ca 0.00 0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 2gqj s PRO 8 Cb 0.00 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 2gqj s PRO 8 CO 0.00 -3.44 1.42 0.78 0.04 0.00 0.00 177.00 175.79 2gqj h GLY 9 N -2.39 -1.28 0.00 0.56 0.00 -2.06 -3.46 103.07 94.44 2gqj h GLY 9 Ca -0.48 0.88 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2gqj h GLY 9 CO 0.41 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.35 2gqj n GLY 10 N -1.20 0.62 3.56 4.60 0.00 -1.26 -4.97 105.19 106.54 2gqj n GLY 10 Ca 0.01 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 2gqj n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 11 N -2.00 2.56 -1.65 1.61 0.04 -1.26 -3.80 135.00 130.50 2gqj s PRO 11 Ca 0.00 -0.21 -0.16 0.00 0.04 0.00 0.00 61.00 60.67 2gqj s PRO 11 Cb 0.00 -5.00 0.13 0.00 0.04 0.00 0.00 34.50 29.67 2gqj s PRO 11 CO 0.00 -3.32 0.78 0.39 0.04 0.00 0.00 177.00 174.90 2gqj n GLU 12 N 8.89 -3.54 -0.08 4.56 1.02 -1.26 -4.87 120.64 125.36 2gqj n GLU 12 Ca 0.38 0.41 -0.07 0.00 -0.02 0.00 0.00 57.16 57.86 2gqj n GLU 12 Cb 0.47 -5.10 -0.02 0.00 -0.02 0.00 0.00 31.44 26.77 2gqj n GLU 12 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gqj n GLU 13 N -4.43 0.49 0.12 3.49 -0.58 -1.25 -4.01 120.64 114.47 2gqj n GLU 13 Ca 0.03 0.38 -0.20 0.00 -0.42 0.00 0.00 57.16 56.96 2gqj n GLU 13 Cb 0.51 -1.57 -0.15 0.00 -0.57 0.00 0.00 31.44 29.67 2gqj n GLU 13 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2gqj h GLN 14 N -1.00 0.40 -0.55 3.49 4.20 -1.89 -3.04 115.11 116.72 2gqj h GLN 14 Ca -0.01 -0.68 0.02 0.00 0.06 0.00 0.00 58.65 58.04 2gqj h GLN 14 Cb 0.75 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 2gqj h GLN 14 CO -0.00 1.32 0.35 -1.49 -0.67 0.00 0.00 178.83 178.33 2gqj h TRP 15 N 0.12 0.65 -0.01 2.96 6.55 -1.90 -1.99 115.95 122.32 2gqj h TRP 15 Ca -0.19 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.57 2gqj h TRP 15 Cb 2.05 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 30.12 2gqj h TRP 15 CO 0.09 0.39 -0.44 -0.56 -1.05 0.00 0.00 178.44 176.87 2gqj h GLN 16 N 0.70 0.03 -0.80 0.49 3.07 -1.70 -1.40 115.11 115.51 2gqj h GLN 16 Ca 0.21 -0.01 0.06 0.00 0.09 0.00 0.00 58.65 58.99 2gqj h GLN 16 Cb -0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 2gqj h GLN 16 CO -0.07 0.47 0.52 0.00 0.09 0.00 0.00 178.83 179.84 2gqj h ARG 17 N 0.03 0.87 0.03 0.06 3.08 -1.24 -1.64 114.38 115.57 2gqj h ARG 17 Ca -0.00 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.69 2gqj h ARG 17 Cb 0.79 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 2gqj h ARG 17 CO 0.06 0.58 -1.73 0.00 -1.07 0.00 0.00 179.97 177.81 2gqj h ALA 18 N 1.56 0.67 -0.46 0.04 0.00 -1.35 -2.77 119.26 116.94 2gqj h ALA 18 Ca 0.33 -1.42 0.02 0.00 0.00 0.00 0.00 54.91 53.85 2gqj h ALA 18 Cb 0.18 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2gqj h ALA 18 CO -0.11 1.50 0.31 0.82 0.00 0.00 0.00 179.25 181.77 2gqj h ILE 19 N 0.02 1.08 0.10 0.00 2.04 -0.81 0.33 117.51 120.27 2gqj h ILE 19 Ca -0.30 -0.20 -0.36 0.00 1.00 0.00 0.00 64.86 65.00 2gqj h ILE 19 Cb 2.01 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2gqj h ILE 19 CO 0.09 0.10 -2.04 0.00 0.00 0.00 0.00 178.15 176.30 2gqj n HIS 20 N -4.47 1.08 0.24 1.37 1.44 -0.66 -2.97 115.22 111.25 2gqj n HIS 20 Ca 0.04 0.24 -0.14 0.00 -2.01 0.00 0.00 57.72 55.85 2gqj n HIS 20 Cb 0.10 -1.14 -0.08 0.00 0.12 0.00 0.00 29.99 28.99 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 0.06 -0.60 0.00 -1.40 5.08 -1.28 -3.41 114.58 113.02 2gqj h GLU 21 Ca -0.43 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2gqj h GLU 21 Cb 2.02 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2gqj h GLU 21 CO 0.07 -0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.32 2gqj n ARG 22 N -5.26 0.00 0.00 2.33 1.74 0.11 -5.07 116.66 110.52 2gqj n ARG 22 Ca -0.11 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2gqj n ARG 22 Cb 0.30 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gqj n GLY 23 N 1.84 -0.15 3.83 -0.13 0.00 -0.90 -5.01 105.19 104.68 2gqj n GLY 23 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.78 1.88 -0.34 1.61 1.03 -1.24 -4.54 118.70 115.33 2gqj s GLU 24 Ca 0.00 -1.15 -0.00 0.00 0.03 0.00 0.00 54.97 53.84 2gqj s GLU 24 Cb 0.00 0.56 0.11 0.00 -0.80 0.00 0.00 34.13 34.01 2gqj s GLU 24 CO 0.00 -0.87 0.14 0.00 -1.33 0.00 0.00 175.26 173.20 2gqj s ALA 25 N -2.83 1.55 0.90 -0.84 0.00 -1.26 -4.39 121.76 114.90 2gqj s ALA 25 Ca 0.15 -1.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.12 2gqj s ALA 25 Cb -0.05 -1.66 0.14 0.00 0.00 0.00 0.00 23.12 21.55 2gqj s ALA 25 CO 0.08 -1.80 1.18 0.14 0.00 0.00 0.00 175.76 175.37 2gqj s VAL 26 N 1.32 1.97 -0.20 0.00 -7.23 -1.26 -4.77 120.40 110.23 2gqj s VAL 26 Ca 0.12 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.97 2gqj s VAL 26 Cb -0.19 -2.86 -0.09 0.00 0.56 0.00 0.00 36.38 33.79 2gqj s VAL 26 CO -0.18 0.00 2.10 0.00 -0.31 0.00 0.00 175.10 176.71 2gqj n PRO 28 N 7.93 0.49 -0.05 0.00 -0.04 -1.26 0.12 135.00 142.19 2gqj n PRO 28 Ca 0.30 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2gqj n PRO 28 Cb 0.34 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.42 0.58 0.00 0.52 -1.04 -1.26 -4.86 114.28 107.80 2gqj n THR 29 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2gqj n THR 29 Cb 0.01 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 -1.19 -2.38 -3.39 0.00 2.85 0.33 -4.97 115.26 106.51 2gqj n ASN 31 Ca 0.00 -0.38 -0.11 0.00 -0.11 0.00 0.00 54.58 53.98 2gqj n ASN 31 Cb 0.00 -3.37 -0.09 0.00 1.24 0.00 0.00 39.78 37.56 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2gqj s VAL 32 N -3.22 -0.55 0.11 3.44 -7.23 -1.26 -4.76 120.40 106.93 2gqj s VAL 32 Ca 0.05 -0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 2gqj s VAL 32 Cb -0.02 -0.78 0.04 0.00 0.56 0.00 0.00 36.38 36.17 2gqj s VAL 32 CO 0.45 -0.13 0.50 1.33 -0.31 0.00 0.00 175.10 176.94 2gqj n VAL 33 N 5.36 0.00 -0.99 1.32 0.24 -1.26 -4.73 118.33 118.27 2gqj n VAL 33 Ca -0.04 -0.33 -0.36 0.00 -2.04 0.00 0.00 64.34 61.57 2gqj n VAL 33 Cb 0.50 0.41 0.05 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.35 0.06 0.00 3.34 -1.04 -1.26 -4.77 114.28 110.26 2gqj n THR 34 Ca -0.02 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.05 61.45 2gqj n THR 34 Cb 0.30 -0.13 -0.05 0.00 -1.82 0.00 0.00 70.33 68.63 2gqj n THR 34 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2gqj h ARG 35 N -1.01 -0.03 0.00 -2.82 9.65 -2.02 -1.89 114.38 116.27 2gqj h ARG 35 Ca -0.44 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.40 2gqj h ARG 35 Cb 1.31 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 2gqj h ARG 35 CO 0.27 -0.02 -0.20 0.87 2.80 0.00 0.00 179.97 183.69 2gqj h LYS 36 N -0.03 0.00 -5.84 0.20 1.57 -2.00 -3.47 116.57 107.01 2gqj h LYS 36 Ca 0.06 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.40 2gqj h LYS 36 Cb 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2gqj h LYS 36 CO -0.12 0.20 -0.66 0.25 -0.57 0.00 0.00 179.45 178.55 2gqj n THR 37 N -3.30 -1.27 -0.02 -0.16 -2.24 -0.71 -4.55 114.28 102.03 2gqj n THR 37 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2gqj n THR 37 Cb 0.45 -2.09 -0.02 0.00 -2.10 0.00 0.00 70.33 66.57 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 -4.08 1.38 -0.01 3.22 -0.00 -1.26 -4.43 117.00 111.82 2gqj n LEU 38 Ca 0.01 0.21 -0.13 0.00 -0.00 0.00 0.00 56.01 56.10 2gqj n LEU 38 Cb 0.53 -0.49 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 2gqj n LEU 38 CO 0.63 -0.41 -0.61 -0.37 -0.00 0.00 0.00 177.39 176.63 2gqj h VAL 39 N -0.44 0.79 0.00 1.96 -1.51 -1.99 -3.37 116.25 111.70 2gqj h VAL 39 Ca -0.05 -2.59 -0.13 0.00 -1.23 0.00 0.00 66.70 62.70 2gqj h VAL 39 Cb 0.58 2.47 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 2gqj h VAL 39 CO -0.03 0.65 -0.62 1.23 -1.23 0.00 0.00 177.57 177.57 2gqj h GLY 40 N 2.58 0.00 1.96 5.19 0.00 -1.95 -3.10 103.07 107.75 2gqj h GLY 40 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2gqj h GLY 40 CO 0.09 0.00 0.01 -2.00 0.00 0.00 0.00 176.54 174.64 2gqj h LEU 41 N 0.00 0.05 0.09 3.11 5.85 -1.78 0.14 115.31 122.77 2gqj h LEU 41 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2gqj h LEU 41 Cb 1.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2gqj h LEU 41 CO 0.08 0.05 -0.04 0.11 -0.34 0.00 0.00 178.44 178.30 2gqj h LYS 42 N 0.06 -0.11 0.00 1.25 1.57 -1.72 -1.98 116.57 115.63 2gqj h LYS 42 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2gqj h LYS 42 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2gqj h LYS 42 CO -0.00 -0.07 0.10 0.87 -0.57 0.00 0.00 179.45 179.78 2gqj h LYS 43 N -0.86 0.00 0.00 3.15 6.56 -1.52 -2.79 116.57 121.11 2gqj h LYS 43 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2gqj h LYS 43 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2gqj h LYS 43 CO 0.02 0.00 -0.10 1.25 -2.06 0.00 0.00 179.45 178.56 2gqj h HIS 44 N 0.00 0.00 -0.42 -1.35 -0.00 -0.79 -3.33 115.15 109.26 2gqj h HIS 44 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 2gqj h HIS 44 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 2gqj h HIS 44 CO 0.00 0.00 0.92 0.00 -0.00 0.00 0.00 177.93 178.85 2gqj h MET 45 N -0.68 0.00 -0.13 5.26 -0.00 -1.15 -0.34 114.93 117.88 2gqj h MET 45 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.74 2gqj h MET 45 Cb 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.64 2gqj h MET 45 CO 0.00 0.00 -0.41 0.93 -0.00 0.00 0.00 176.91 177.43 2gqj h GLU 46 N 0.00 -0.46 0.06 -0.10 4.39 -1.61 -2.90 114.58 113.96 2gqj h GLU 46 Ca 0.20 0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.64 2gqj h GLU 46 Cb 2.03 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 30.76 2gqj h GLU 46 CO -0.00 -0.31 -1.55 -0.39 -1.16 0.00 0.00 179.01 175.60 2gqj h VAL 47 N -0.48 1.08 -0.90 3.13 -1.51 -1.29 -3.38 116.25 112.90 2gqj h VAL 47 Ca 0.08 -2.82 0.09 0.00 -1.23 0.00 0.00 66.70 62.82 2gqj h VAL 47 Cb 0.62 2.62 -0.11 0.00 -2.13 0.00 0.00 31.29 32.28 2gqj h VAL 47 CO -0.39 0.73 -0.50 0.00 -1.23 0.00 0.00 177.57 176.18 2gqj h GLN 49 N 0.00 0.75 0.04 0.00 1.08 -1.69 0.64 115.11 115.93 2gqj h GLN 49 Ca 0.17 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2gqj h GLN 49 Cb 0.40 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2gqj h GLN 49 CO -0.85 0.50 -0.02 0.87 -0.95 0.00 0.00 178.83 178.38 2gqj h LYS 50 N 0.77 -0.05 0.29 1.46 1.57 0.75 -2.57 116.57 118.79 2gqj h LYS 50 Ca 0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 2gqj h LYS 50 Cb 0.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2gqj h LYS 50 CO -0.34 0.15 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.48 2gqj h LEU 51 N -0.25 -0.33 -0.79 2.94 -0.00 0.23 -3.22 115.31 113.89 2gqj h LEU 51 Ca -0.01 0.01 0.30 0.00 -0.00 0.00 0.00 57.88 58.18 2gqj h LEU 51 Cb 0.22 0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 40.83 2gqj h LEU 51 CO 0.01 -0.13 0.30 0.00 -0.00 0.00 0.00 178.44 178.62 2gqj n GLN 52 N -3.68 -0.05 0.14 1.13 -0.00 0.22 0.05 117.38 115.17 2gqj n GLN 52 Ca -0.05 1.12 -0.13 0.00 -0.00 0.00 0.00 57.00 57.94 2gqj n GLN 52 Cb 0.16 -1.93 -0.08 0.00 -0.00 0.00 0.00 30.24 28.38 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 -1.20 -0.75 2.61 1.82 -1.47 -0.38 116.42 117.05 2gqj h ASP 53 Ca 0.61 0.12 0.09 0.00 -0.39 0.00 0.00 57.03 57.46 2gqj h ASP 53 Cb 1.54 0.43 -0.12 0.00 0.68 0.00 0.00 39.33 41.86 2gqj h ASP 53 CO -0.65 -0.47 -0.50 0.00 -1.61 0.00 0.00 179.24 176.01 2gqj h ALA 54 N -0.87 -0.40 -0.90 -0.78 0.00 -0.42 0.30 119.26 116.19 2gqj h ALA 54 Ca -0.02 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2gqj h ALA 54 Cb 0.63 1.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 2gqj h ALA 54 CO -0.17 -0.88 0.51 -0.07 0.00 0.00 0.00 179.25 178.64 2gqj h LEU 55 N -0.15 0.67 -9.75 0.00 3.38 -1.36 -3.42 115.31 104.68 2gqj h LEU 55 Ca 0.18 0.08 -0.56 0.00 0.09 0.00 0.00 57.88 57.67 2gqj h LEU 55 Cb 0.53 -0.04 0.09 0.00 0.09 0.00 0.00 40.66 41.33 2gqj h LEU 55 CO -0.80 0.30 0.71 1.17 0.09 0.00 0.00 178.44 179.91 2gqj n LYS 56 N -4.79 2.39 -3.04 1.13 4.81 0.11 -4.59 118.16 114.18 2gqj n LYS 56 Ca 0.18 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 58.06 2gqj n LYS 56 Cb 0.42 -2.54 -0.05 0.00 0.02 0.00 0.00 35.03 32.88 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 5.21 1.86 0.00 0.00 3.00 -1.26 -1.69 117.38 124.49 2gqj n GLN 58 Ca 0.01 -1.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 2gqj n GLN 58 Cb 0.49 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.16 2gqj n GLN 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2gqj n HIS 59 N 0.07 0.00 0.17 1.08 8.25 -1.26 -4.83 115.22 118.70 2gqj n HIS 59 Ca 0.15 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.71 2gqj n HIS 59 Cb 0.75 0.08 -0.14 0.00 1.12 0.00 0.00 29.99 31.79 2gqj n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gqj n ARG 61 N -2.01 -5.47 -4.17 0.00 1.74 -0.69 -5.02 116.66 101.03 2gqj n ARG 61 Ca -0.02 0.69 -0.25 0.00 -0.77 0.00 0.00 57.85 57.49 2gqj n ARG 61 Cb 0.45 -5.23 -0.17 0.00 -1.02 0.00 0.00 32.46 26.49 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2gqj s LYS 62 N -5.19 1.54 0.45 5.56 2.20 -1.26 -4.98 119.74 118.06 2gqj s LYS 62 Ca 0.04 -0.30 -0.24 0.00 -0.36 0.00 0.00 55.97 55.11 2gqj s LYS 62 Cb -0.02 -1.46 -0.07 0.00 -1.51 0.00 0.00 37.83 34.76 2gqj s LYS 62 CO 0.59 -0.15 1.30 -1.14 -0.36 0.00 0.00 175.35 175.59 2gqj s GLN 63 N 1.27 3.71 -0.20 4.03 2.00 -1.26 -3.74 119.66 125.47 2gqj s GLN 63 Ca -0.03 2.12 -0.00 0.00 -2.00 0.00 0.00 55.36 55.44 2gqj s GLN 63 Cb -0.14 -2.56 0.05 0.00 0.80 0.00 0.00 33.01 31.17 2gqj s GLN 63 CO -0.03 -0.70 -0.04 -0.06 -0.50 0.00 0.00 175.29 173.96 2gqj s PHE 64 N -1.33 1.87 0.00 1.67 0.40 -1.26 -5.01 117.98 114.33 2gqj s PHE 64 Ca 0.62 -1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 2gqj s PHE 64 Cb -0.37 -1.38 -0.10 0.00 0.51 0.00 0.00 43.02 41.68 2gqj s PHE 64 CO 0.46 -0.68 2.54 1.17 0.70 0.00 0.00 175.22 179.41 2gqj n LYS 65 N 4.82 1.33 -3.63 0.44 0.00 -1.26 -4.73 118.16 115.14 2gqj n LYS 65 Ca -0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 58.31 57.76 2gqj n LYS 65 Cb 0.46 -1.40 -0.06 0.00 0.00 0.00 0.00 35.03 34.03 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2gqj s SER 66 N 2.02 -0.22 -0.15 3.14 1.04 -1.26 -5.05 113.70 113.22 2gqj s SER 66 Ca 0.25 0.36 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 2gqj s SER 66 Cb 0.12 0.35 -0.19 0.00 0.10 0.00 0.00 66.02 66.40 2gqj s SER 66 CO 0.00 -0.12 0.49 0.50 0.98 0.00 0.00 173.24 175.09 2gqj h LYS 67 N 3.13 0.00 -0.98 4.02 3.64 -1.99 -3.26 116.57 121.13 2gqj h LYS 67 Ca -0.22 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 2gqj h LYS 67 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2gqj h LYS 67 CO 0.19 0.78 0.64 0.00 -2.27 0.00 0.00 179.45 178.78 2gqj h ALA 68 N -0.31 1.32 -0.07 5.00 0.00 -1.99 -2.71 119.26 120.49 2gqj h ALA 68 Ca -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2gqj h ALA 68 Cb 0.86 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2gqj h ALA 68 CO -0.04 0.49 -0.11 0.78 0.00 0.00 0.00 179.25 180.37 2gqj h GLY 69 N 1.21 -0.07 0.44 0.00 0.00 -1.98 -2.17 103.07 100.50 2gqj h GLY 69 Ca 0.40 0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.99 2gqj h GLY 69 CO -0.14 -0.12 0.63 -2.00 0.00 0.00 0.00 176.54 174.91 2gqj h LEU 70 N -0.15 0.91 0.26 3.11 5.85 -1.53 0.01 115.31 123.77 2gqj h LEU 70 Ca 0.07 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2gqj h LEU 70 Cb 0.25 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2gqj h LEU 70 CO -0.16 0.47 -0.50 0.78 -0.34 0.00 0.00 178.44 178.69 2gqj h ASN 71 N 0.97 -1.44 -0.61 1.25 2.35 -1.19 0.24 115.58 117.16 2gqj h ASN 71 Ca 0.50 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.38 2gqj h ASN 71 Cb 0.53 0.51 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 2gqj h ASN 71 CO -0.27 -0.57 0.32 0.22 -1.65 0.00 0.00 177.43 175.48 2gqj h TYR 72 N -0.81 0.85 0.30 1.19 5.03 -1.29 0.01 116.97 122.26 2gqj h TYR 72 Ca -0.03 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 2gqj h TYR 72 Cb 0.76 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 2gqj h TYR 72 CO -0.37 0.62 -0.32 1.25 -1.32 0.00 0.00 178.16 178.02 2gqj h HIS 73 N 0.83 -0.89 -0.59 -3.82 2.76 -0.64 0.50 115.15 113.29 2gqj h HIS 73 Ca 0.21 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 2gqj h HIS 73 Cb 0.07 0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 2gqj h HIS 73 CO -0.01 -0.42 0.39 1.15 -1.30 0.00 0.00 177.93 177.74 2gqj h THR 74 N -0.62 1.02 -0.39 6.26 2.02 -0.52 0.74 112.91 121.41 2gqj h THR 74 Ca -0.04 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 2gqj h THR 74 Cb 0.55 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2gqj h THR 74 CO -0.05 0.11 -0.21 -0.03 0.37 0.00 0.00 175.52 175.71 2gqj h MET 75 N 0.61 0.78 0.00 6.66 1.85 -0.54 -1.44 114.93 122.84 2gqj h MET 75 Ca 0.25 -0.31 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2gqj h MET 75 Cb 0.21 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.20 2gqj h MET 75 CO -0.07 0.92 -0.20 0.00 -0.40 0.00 0.00 176.91 177.16 2gqj h ALA 76 N 1.08 0.00 0.27 0.39 0.00 0.11 -3.28 119.26 117.83 2gqj h ALA 76 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2gqj h ALA 76 Cb 0.72 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2gqj h ALA 76 CO 0.06 0.20 -0.16 0.93 0.00 0.00 0.00 179.25 180.27 2gqj h GLU 77 N -0.73 -0.38 -3.00 0.00 5.08 0.31 -3.29 114.58 112.57 2gqj h GLU 77 Ca 0.00 0.03 -0.80 0.00 -1.00 0.00 0.00 59.36 57.59 2gqj h GLU 77 Cb 0.20 0.09 -0.24 0.00 0.50 0.00 0.00 28.75 29.29 2gqj h GLU 77 CO 0.00 -0.26 1.16 0.72 -1.00 0.00 0.00 179.01 179.63 2gqj n HIS 78 N -3.22 2.43 -0.01 4.33 8.25 -0.56 -4.77 115.22 121.68 2gqj n HIS 78 Ca -0.05 -2.62 -0.01 0.00 -0.26 0.00 0.00 57.72 54.77 2gqj n HIS 78 Cb 0.16 -1.43 -0.01 0.00 1.12 0.00 0.00 29.99 29.83 2gqj n HIS 78 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2gqj h SER 79 N 5.40 -0.08 -3.44 0.41 0.87 -1.57 -3.39 113.55 111.74 2gqj h SER 79 Ca 0.28 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 60.24 2gqj h SER 79 Cb 0.59 0.02 -0.40 0.00 -0.44 0.00 0.00 62.40 62.17 2gqj h SER 79 CO 1.41 0.40 -0.74 0.00 -0.53 0.00 0.00 176.83 177.37 2gqj s ALA 80 N -2.79 2.11 0.27 6.23 0.00 -1.26 -5.00 121.76 121.31 2gqj s ALA 80 Ca -0.01 -2.20 -0.09 0.00 0.00 0.00 0.00 51.96 49.65 2gqj s ALA 80 Cb 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 2gqj s ALA 80 CO 0.04 -1.79 0.60 -1.59 0.00 0.00 0.00 175.76 173.01 2gqj s LYS 81 N 1.02 3.79 -0.17 0.00 0.00 -1.26 -5.03 119.74 118.10 2gqj s LYS 81 Ca 0.12 0.29 -0.29 0.00 0.00 0.00 0.00 55.97 56.10 2gqj s LYS 81 Cb -0.20 -2.59 -0.03 0.00 0.00 0.00 0.00 37.83 35.00 2gqj s LYS 81 CO -0.13 0.24 1.57 -1.25 0.00 0.00 0.00 175.35 175.78 2gqj s PRO 82 N -3.08 3.96 -0.47 1.78 0.04 -1.26 -4.98 135.00 131.00 2gqj s PRO 82 Ca 0.48 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2gqj s PRO 82 Cb -0.11 -3.98 0.12 0.00 0.04 0.00 0.00 34.50 30.57 2gqj s PRO 82 CO 0.23 -1.09 0.21 0.45 0.04 0.00 0.00 177.00 176.85 2gqj s SER 83 N 3.66 4.30 0.00 6.66 0.15 -1.26 -5.09 113.70 122.11 2gqj s SER 83 Ca 0.69 -2.77 -0.30 0.00 0.70 0.00 0.00 55.95 54.27 2gqj s SER 83 Cb -0.27 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 2gqj s SER 83 CO 0.27 -0.27 1.15 -0.62 1.20 0.00 0.00 173.24 174.97 2gqj s ASP 84 N 0.06 7.13 -0.30 5.45 2.15 -1.26 -5.00 116.67 124.90 2gqj s ASP 84 Ca 0.16 1.85 -0.16 0.00 0.43 0.00 0.00 52.55 54.83 2gqj s ASP 84 Cb -0.24 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 39.97 2gqj s ASP 84 CO -0.02 -0.47 1.04 0.00 -0.17 0.00 0.00 175.17 175.55 2gqj s ALA 85 N 1.49 -2.56 0.81 3.66 0.00 -1.26 -5.17 121.76 118.73 2gqj s ALA 85 Ca 0.56 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 54.50 2gqj s ALA 85 Cb -0.26 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.03 2gqj s ALA 85 CO 0.26 -0.60 1.09 -2.00 0.00 0.00 0.00 175.76 174.51 2gqj s GLU 86 N 1.74 2.00 -0.47 0.00 2.12 -1.26 -5.02 118.70 117.82 2gqj s GLU 86 Ca -0.06 0.77 -0.11 0.00 0.36 0.00 0.00 54.97 55.94 2gqj s GLU 86 Cb -0.04 -1.90 0.11 0.00 0.26 0.00 0.00 34.13 32.56 2gqj s GLU 86 CO -0.15 -1.71 0.36 0.00 -0.54 0.00 0.00 175.26 173.22 2gqj s ALA 87 N -3.06 3.43 0.02 6.30 0.00 -1.26 -5.04 121.76 122.14 2gqj s ALA 87 Ca 0.61 -2.46 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 2gqj s ALA 87 Cb -0.15 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 20.14 2gqj s ALA 87 CO 0.55 -1.88 0.56 0.45 0.00 0.00 0.00 175.76 175.44 2gqj s SER 88 N 2.74 -0.50 0.34 0.00 0.15 -1.26 -5.18 113.70 110.00 2gqj s SER 88 Ca 0.05 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.10 2gqj s SER 88 Cb -0.26 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2gqj s SER 88 CO 0.01 -0.67 0.37 -0.70 1.20 0.00 0.00 173.24 173.45 2gqj s GLU 89 N -2.00 2.89 -0.12 5.44 2.12 -1.26 -5.07 118.70 120.71 2gqj s GLU 89 Ca -0.08 -1.18 -0.06 0.00 0.36 0.00 0.00 54.97 54.01 2gqj s GLU 89 Cb -0.01 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 2gqj s GLU 89 CO 0.02 0.07 -0.16 0.41 -0.54 0.00 0.00 175.26 175.06 2gqj n GLY 90 N -1.50 -0.19 0.00 -1.50 0.00 -1.26 -5.06 105.19 95.68 2gqj n GLY 90 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.25 0.10 3.56 -0.02 0.00 -1.26 -5.07 105.19 104.74 2gqj n GLY 91 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2gqj n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gqj s GLU 92 N 0.00 2.49 -0.08 1.61 -6.30 -1.26 -4.85 118.70 110.31 2gqj s GLU 92 Ca 0.00 -0.07 -0.30 0.00 -2.50 0.00 0.00 54.97 52.10 2gqj s GLU 92 Cb 0.00 -4.93 0.11 0.00 0.00 0.00 0.00 34.13 29.31 2gqj s GLU 92 CO 0.00 -3.35 0.88 0.45 0.02 0.00 0.00 175.26 173.26 2gqj s SER 93 N 8.30 -0.44 -0.45 -1.70 0.15 -1.26 -5.11 113.70 113.18 2gqj s SER 93 Ca 0.72 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.75 2gqj s SER 93 Cb -0.08 0.39 0.26 0.00 -1.71 0.00 0.00 66.02 64.88 2gqj s SER 93 CO 0.04 -0.51 0.99 0.61 1.20 0.00 0.00 173.24 175.57 2gqj n GLY 94 N 0.45 -0.31 3.56 9.45 0.00 -1.26 -5.09 105.19 111.99 2gqj n GLY 94 Ca -0.12 0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 0.53 2.55 -0.16 1.61 0.04 -1.26 -4.94 135.00 133.37 2gqj s PRO 95 Ca 0.30 -0.41 -0.29 0.00 0.04 0.00 0.00 61.00 60.63 2gqj s PRO 95 Cb 0.23 -5.09 -0.02 0.00 0.04 0.00 0.00 34.50 29.66 2gqj s PRO 95 CO -0.20 -3.46 1.36 0.45 0.04 0.00 0.00 177.00 175.19 2gqj s SER 96 N 7.82 6.84 0.42 6.66 0.15 -1.26 -5.00 113.70 129.33 2gqj s SER 96 Ca 0.70 1.75 -0.23 0.00 0.70 0.00 0.00 55.95 58.87 2gqj s SER 96 Cb -0.06 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 2gqj s SER 96 CO 0.01 -0.84 1.07 -0.55 1.20 0.00 0.00 173.24 174.12 2gqj s SER 97 N 2.42 6.63 0.00 5.45 0.15 -1.26 -5.36 113.70 121.72 2gqj s SER 97 Ca 0.59 2.07 0.06 0.00 0.70 0.00 0.00 55.95 59.37 2gqj s SER 97 Cb -0.24 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 61.83 2gqj s SER 97 CO 0.19 -0.58 0.81 0.61 1.20 0.00 0.00 173.24 175.46