#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 1.37 -0.29 1.61 0.15 -1.26 -5.13 113.70 110.16 2gqj s SER 2 Ca 0.00 -0.22 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 2gqj s SER 2 Cb 0.00 -0.51 0.15 0.00 -1.71 0.00 0.00 66.02 63.95 2gqj s SER 2 CO 0.00 0.04 1.11 -0.94 1.20 0.00 0.00 173.24 174.65 2gqj s SER 3 N 0.47 -0.36 0.00 5.45 1.04 -1.26 -5.09 113.70 113.96 2gqj s SER 3 Ca -0.08 0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2gqj s SER 3 Cb -0.12 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2gqj s SER 3 CO 0.01 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2gqj n GLY 4 N 2.64 -1.71 3.06 7.32 0.00 -1.26 -5.15 105.19 110.09 2gqj n GLY 4 Ca -0.14 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 2gqj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gqj n SER 5 N 0.00 -4.36 0.04 1.61 7.64 -1.26 -4.91 113.62 112.38 2gqj n SER 5 Ca 0.00 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.88 2gqj n SER 5 Cb 0.00 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 62.39 2gqj n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2gqj h SER 6 N -1.13 -0.15 -3.37 6.43 0.02 -2.07 -3.49 113.55 109.79 2gqj h SER 6 Ca -0.43 -0.40 0.22 0.00 -0.84 0.00 0.00 61.79 60.34 2gqj h SER 6 Cb 1.34 0.04 -0.26 0.00 0.14 0.00 0.00 62.40 63.66 2gqj h SER 6 CO 0.24 0.43 0.89 -0.83 -1.14 0.00 0.00 176.83 176.42 2gqj s GLY 7 N -3.34 0.00 0.18 -3.77 0.00 -1.26 -5.15 107.32 93.98 2gqj s GLY 7 Ca -0.13 2.60 -0.30 0.00 0.00 0.00 0.00 44.72 46.89 2gqj s GLY 7 CO 0.49 1.04 1.32 2.56 0.00 0.00 0.00 173.10 178.51 2gqj s PRO 8 N -1.16 4.38 -0.45 2.90 0.04 -1.26 -4.97 135.00 134.48 2gqj s PRO 8 Ca 0.07 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.19 2gqj s PRO 8 Cb -0.01 -3.21 0.24 0.00 0.04 0.00 0.00 34.50 31.56 2gqj s PRO 8 CO -0.06 -0.28 0.96 0.41 0.04 0.00 0.00 177.00 178.07 2gqj n GLY 9 N 2.56 -0.52 0.00 0.56 0.00 -1.26 -5.15 105.19 101.38 2gqj n GLY 9 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.80 -1.92 3.56 -0.02 0.00 -1.26 -5.05 105.19 102.31 2gqj n GLY 10 Ca 0.08 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.87 2.56 -0.31 1.61 0.04 -1.26 -4.72 135.00 131.05 2gqj s PRO 11 Ca 0.00 -0.28 0.16 0.00 0.04 0.00 0.00 61.00 60.93 2gqj s PRO 11 Cb 0.00 -5.05 0.47 0.00 0.04 0.00 0.00 34.50 29.96 2gqj s PRO 11 CO 0.00 -3.36 1.07 0.39 0.04 0.00 0.00 177.00 175.14 2gqj n GLU 12 N 8.86 2.08 -0.08 4.56 -0.58 -1.26 -4.84 120.64 129.38 2gqj n GLU 12 Ca 0.40 -3.67 -0.07 0.00 -0.42 0.00 0.00 57.16 53.40 2gqj n GLU 12 Cb 0.47 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 2gqj n GLU 12 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2gqj n GLU 13 N -0.43 0.49 -0.04 3.49 4.71 -1.26 -3.89 120.64 123.70 2gqj n GLU 13 Ca 0.18 0.35 -0.13 0.00 -0.01 0.00 0.00 57.16 57.54 2gqj n GLU 13 Cb 0.82 -1.53 -0.08 0.00 -1.01 0.00 0.00 31.44 29.63 2gqj n GLU 13 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2gqj h GLN 14 N -0.99 0.28 -0.77 3.49 1.08 -1.99 -2.73 115.11 113.48 2gqj h GLN 14 Ca 0.00 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2gqj h GLN 14 Cb 0.78 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 2gqj h GLN 14 CO 0.00 0.70 0.44 -1.49 -0.95 0.00 0.00 178.83 177.53 2gqj h TRP 15 N -0.14 0.80 0.00 2.96 6.55 -1.88 0.24 115.95 124.48 2gqj h TRP 15 Ca 0.01 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 2gqj h TRP 15 Cb 0.66 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.71 2gqj h TRP 15 CO 0.09 0.36 -0.14 1.96 -1.05 0.00 0.00 178.44 179.66 2gqj h GLN 16 N 0.78 0.00 0.20 0.49 4.20 -1.66 0.97 115.11 120.09 2gqj h GLN 16 Ca 0.35 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.72 2gqj h GLN 16 Cb 0.26 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.06 2gqj h GLN 16 CO -0.21 0.14 -1.69 -0.09 -0.67 0.00 0.00 178.83 176.31 2gqj h ARG 17 N 0.00 0.43 0.00 1.46 2.43 -0.62 -3.28 114.38 114.80 2gqj h ARG 17 Ca -0.00 -0.73 -0.09 0.00 -0.81 0.00 0.00 59.98 58.35 2gqj h ARG 17 Cb 0.46 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2gqj h ARG 17 CO 0.02 1.35 -0.41 0.00 -1.51 0.00 0.00 179.97 179.42 2gqj h ALA 18 N 0.12 0.82 0.39 2.80 0.00 -0.44 -2.27 119.26 120.66 2gqj h ALA 18 Ca -0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2gqj h ALA 18 Cb 2.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2gqj h ALA 18 CO 0.20 0.51 -0.18 0.82 0.00 0.00 0.00 179.25 180.59 2gqj h ILE 19 N 0.00 0.59 -0.14 0.00 2.04 -0.92 -1.71 117.51 117.37 2gqj h ILE 19 Ca -0.00 -0.44 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 2gqj h ILE 19 Cb 1.14 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2gqj h ILE 19 CO 0.05 0.08 -0.54 1.12 0.00 0.00 0.00 178.15 178.86 2gqj h HIS 20 N -0.78 0.51 0.56 1.37 2.07 -1.65 0.38 115.15 117.61 2gqj h HIS 20 Ca -0.05 -0.18 -0.02 0.00 -2.85 0.00 0.00 60.37 57.27 2gqj h HIS 20 Cb 0.53 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.41 2gqj h HIS 20 CO 0.01 0.86 -0.32 0.93 -3.07 0.00 0.00 177.93 176.33 2gqj h GLU 21 N 0.31 -0.80 0.00 5.12 5.08 -1.41 -3.40 114.58 119.49 2gqj h GLU 21 Ca 0.01 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2gqj h GLU 21 Cb 1.05 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2gqj h GLU 21 CO 0.09 -0.53 -0.47 0.54 -1.00 0.00 0.00 179.01 177.64 2gqj n ARG 22 N -5.47 0.27 0.00 2.33 1.74 -0.64 -5.07 116.66 109.82 2gqj n ARG 22 Ca -0.12 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2gqj n ARG 22 Cb 0.36 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 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 1.52 -0.05 3.52 -0.13 0.00 0.13 -5.05 105.19 105.15 2gqj n GLY 23 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.83 -0.86 1.61 -1.05 -1.15 -4.59 118.70 113.49 2gqj s GLU 24 Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 54.97 54.70 2gqj s GLU 24 Cb 0.00 0.39 0.22 0.00 -0.44 0.00 0.00 34.13 34.30 2gqj s GLU 24 CO 0.00 -0.31 0.77 0.00 0.95 0.00 0.00 175.26 176.66 2gqj s ALA 25 N -2.12 4.15 0.77 -0.84 0.00 -1.26 -4.75 121.76 117.71 2gqj s ALA 25 Ca -0.01 -3.58 -0.11 0.00 0.00 0.00 0.00 51.96 48.26 2gqj s ALA 25 Cb -0.01 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 20.06 2gqj s ALA 25 CO -0.02 -2.18 1.09 0.14 0.00 0.00 0.00 175.76 174.79 2gqj s VAL 26 N -0.66 3.27 -0.26 0.00 -7.23 -1.26 -4.77 120.40 109.49 2gqj s VAL 26 Ca 0.23 0.42 -0.38 0.00 -1.81 0.00 0.00 61.98 60.44 2gqj s VAL 26 Cb -0.12 -2.89 -0.14 0.00 0.56 0.00 0.00 36.38 33.79 2gqj s VAL 26 CO -0.08 -0.53 1.87 0.00 -0.31 0.00 0.00 175.10 176.04 2gqj n PRO 28 N 6.24 0.49 -0.07 0.00 -0.04 -1.26 0.14 135.00 140.51 2gqj n PRO 28 Ca 0.29 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2gqj n PRO 28 Cb 0.18 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.58 0.75 0.00 0.52 -1.04 -1.26 -4.86 114.28 107.81 2gqj n THR 29 Ca 0.02 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2gqj n THR 29 Cb 0.01 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 -1.36 -3.25 -3.54 0.00 3.02 0.38 -4.96 115.26 105.54 2gqj n ASN 31 Ca 0.00 -0.15 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 2gqj n ASN 31 Cb 0.22 -1.87 -0.14 0.00 -0.61 0.00 0.00 39.78 37.38 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 -3.02 -0.27 0.10 2.41 -7.23 -1.26 -4.72 120.40 106.41 2gqj s VAL 32 Ca 0.16 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 2gqj s VAL 32 Cb -0.07 -0.60 0.04 0.00 0.56 0.00 0.00 36.38 36.30 2gqj s VAL 32 CO 0.20 -0.17 0.52 1.33 -0.31 0.00 0.00 175.10 176.67 2gqj n VAL 33 N 5.31 0.00 -1.32 1.32 0.24 -1.26 -4.73 118.33 117.89 2gqj n VAL 33 Ca -0.06 -0.30 -0.37 0.00 -2.04 0.00 0.00 64.34 61.58 2gqj n VAL 33 Cb 0.49 0.40 0.05 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.37 1.74 -0.06 3.34 -1.04 -1.26 -4.77 114.28 111.86 2gqj n THR 34 Ca -0.01 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.05 61.41 2gqj n THR 34 Cb 0.30 -0.63 -0.10 0.00 -1.82 0.00 0.00 70.33 68.08 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 -0.15 -0.48 0.00 -2.82 3.08 -2.02 0.35 114.38 112.34 2gqj h ARG 35 Ca -0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2gqj h ARG 35 Cb 1.37 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2gqj h ARG 35 CO 0.43 -0.32 0.00 0.87 -1.07 0.00 0.00 179.97 179.88 2gqj h LYS 36 N -0.50 0.00 -6.47 0.04 1.57 -1.97 -3.46 116.57 105.78 2gqj h LYS 36 Ca 0.05 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.32 2gqj h LYS 36 Cb 0.63 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.85 2gqj h LYS 36 CO -0.49 0.00 -0.81 0.25 -0.57 0.00 0.00 179.45 177.83 2gqj n THR 37 N -3.07 -2.01 0.11 -0.16 -2.24 0.12 -4.60 114.28 102.44 2gqj n THR 37 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2gqj n THR 37 Cb 0.13 -2.48 0.00 0.00 -2.10 0.00 0.00 70.33 65.89 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 -4.51 0.29 0.01 3.22 4.77 -1.26 -4.38 117.00 115.15 2gqj n LEU 38 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2gqj n LEU 38 Cb 0.55 0.15 0.30 0.00 -2.33 0.00 0.00 43.42 42.09 2gqj n LEU 38 CO 0.79 -0.78 0.92 -0.37 -1.33 0.00 0.00 177.39 176.62 2gqj h VAL 39 N 0.00 1.20 0.00 4.08 -1.51 -1.96 -2.92 116.25 115.13 2gqj h VAL 39 Ca 0.00 -0.80 -0.22 0.00 -1.23 0.00 0.00 66.70 64.45 2gqj h VAL 39 Cb 0.00 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 2gqj h VAL 39 CO 0.00 0.27 -2.22 0.61 -1.23 0.00 0.00 177.57 175.00 2gqj n GLY 40 N -0.86 -0.99 0.36 5.19 0.00 -1.26 -4.03 105.19 103.60 2gqj n GLY 40 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2gqj n GLY 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gqj h LEU 41 N 0.00 0.94 -0.05 0.99 5.85 -1.75 0.98 115.31 122.28 2gqj h LEU 41 Ca -0.33 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.14 2gqj h LEU 41 Cb 1.74 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.55 2gqj h LEU 41 CO 0.02 0.68 -0.86 0.11 -0.34 0.00 0.00 178.44 178.05 2gqj h LYS 42 N 1.11 0.66 0.00 1.25 1.57 -1.72 0.12 116.57 119.56 2gqj h LYS 42 Ca 0.31 -0.65 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2gqj h LYS 42 Cb -0.11 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2gqj h LYS 42 CO -0.07 1.25 -0.19 0.87 -0.57 0.00 0.00 179.45 180.75 2gqj h LYS 43 N 0.32 0.00 0.00 3.15 1.57 -1.60 -3.24 116.57 116.77 2gqj h LYS 43 Ca -0.09 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 2gqj h LYS 43 Cb 1.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2gqj h LYS 43 CO 0.17 0.19 -0.96 1.25 -0.57 0.00 0.00 179.45 179.53 2gqj h HIS 44 N 0.00 0.00 -0.20 -1.35 2.76 0.10 -3.35 115.15 113.11 2gqj h HIS 44 Ca -0.00 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2gqj h HIS 44 Cb 0.94 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2gqj h HIS 44 CO 0.00 1.20 0.61 0.00 -1.30 0.00 0.00 177.93 178.44 2gqj h MET 45 N -1.00 0.00 -0.06 5.26 -0.00 -0.86 0.93 114.93 119.21 2gqj h MET 45 Ca -0.25 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.27 2gqj h MET 45 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.72 2gqj h MET 45 CO -0.15 0.00 -0.73 1.05 -0.00 0.00 0.00 176.91 177.08 2gqj h GLU 46 N 0.00 0.33 0.00 -0.10 -0.00 -1.69 -3.29 114.58 109.84 2gqj h GLU 46 Ca 0.09 -0.28 -0.25 0.00 -0.00 0.00 0.00 59.36 58.93 2gqj h GLU 46 Cb 1.31 0.06 -0.05 0.00 -0.00 0.00 0.00 28.75 30.08 2gqj h GLU 46 CO -0.00 0.92 -1.98 1.33 -0.00 0.00 0.00 179.01 179.28 2gqj n VAL 47 N -3.81 1.14 -0.30 -1.06 0.24 0.28 -4.47 118.33 110.35 2gqj n VAL 47 Ca -0.04 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.34 61.40 2gqj n VAL 47 Cb 0.71 -0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.12 0.09 -0.70 0.00 4.20 -1.79 0.23 115.11 117.01 2gqj h GLN 49 Ca 0.12 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.94 2gqj h GLN 49 Cb 0.43 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 2gqj h GLN 49 CO -0.76 0.06 0.30 -0.22 -0.67 0.00 0.00 178.83 177.54 2gqj h LYS 50 N 0.09 0.47 0.36 1.46 3.64 -1.04 0.30 116.57 121.85 2gqj h LYS 50 Ca 0.30 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2gqj h LYS 50 Cb 0.47 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2gqj h LYS 50 CO -0.52 0.31 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.73 2gqj h LEU 51 N 0.49 -0.41 -0.90 5.20 -0.00 0.68 -3.28 115.31 117.09 2gqj h LEU 51 Ca 0.37 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.50 2gqj h LEU 51 Cb 0.48 0.10 -0.14 0.00 -0.00 0.00 0.00 40.66 41.11 2gqj h LEU 51 CO -0.34 -0.10 0.33 1.56 -0.00 0.00 0.00 178.44 179.89 2gqj h GLN 52 N -0.85 0.28 -0.84 1.13 7.50 -0.53 0.67 115.11 122.47 2gqj h GLN 52 Ca -0.05 -0.02 0.20 0.00 0.50 0.00 0.00 58.65 59.28 2gqj h GLN 52 Cb 0.37 -0.06 -0.15 0.00 0.05 0.00 0.00 27.48 27.68 2gqj h GLN 52 CO 0.08 0.19 -0.06 0.22 -1.50 0.00 0.00 178.83 177.76 2gqj h ASP 53 N 0.29 -0.51 0.25 1.46 1.82 -0.46 0.24 116.42 119.50 2gqj h ASP 53 Ca 0.57 0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 57.44 2gqj h ASP 53 Cb 1.15 0.44 -0.00 0.00 0.68 0.00 0.00 39.33 41.60 2gqj h ASP 53 CO -0.60 -0.25 -0.16 0.00 -1.61 0.00 0.00 179.24 176.62 2gqj h ALA 54 N 1.82 -1.00 -1.00 -0.78 0.00 -0.93 -2.85 119.26 114.51 2gqj h ALA 54 Ca 0.46 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.55 2gqj h ALA 54 Cb 0.82 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2gqj h ALA 54 CO -0.79 -0.99 0.59 -0.07 0.00 0.00 0.00 179.25 177.98 2gqj h LEU 55 N -0.38 0.64 -9.38 0.00 3.38 -1.39 -3.41 115.31 104.78 2gqj h LEU 55 Ca -0.03 0.15 -0.63 0.00 0.09 0.00 0.00 57.88 57.45 2gqj h LEU 55 Cb 0.31 0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.17 2gqj h LEU 55 CO 0.03 0.05 0.68 1.17 0.09 0.00 0.00 178.44 180.46 2gqj n LYS 56 N -4.92 1.70 -0.75 1.13 4.81 0.78 -4.48 118.16 116.42 2gqj n LYS 56 Ca 0.28 0.61 -0.24 0.00 -0.87 0.00 0.00 58.31 58.10 2gqj n LYS 56 Cb 0.80 -2.33 0.20 0.00 0.02 0.00 0.00 35.03 33.72 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 -4.25 0.00 -0.27 0.00 6.02 -1.26 -3.89 117.38 113.73 2gqj n GLN 58 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2gqj n GLN 58 Cb 0.47 -0.40 0.21 0.00 1.02 0.00 0.00 30.24 31.53 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2gqj h HIS 59 N 0.00 0.53 0.00 1.08 3.86 -2.00 -2.44 115.15 116.18 2gqj h HIS 59 Ca 0.00 0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 2gqj h HIS 59 Cb 0.00 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2gqj h HIS 59 CO 0.00 0.04 -2.10 0.00 0.86 0.00 0.00 177.93 176.73 2gqj n ARG 61 N -2.40 -5.26 -4.84 0.00 1.74 -0.92 -5.02 116.66 99.96 2gqj n ARG 61 Ca -0.13 0.85 -0.26 0.00 -0.77 0.00 0.00 57.85 57.54 2gqj n ARG 61 Cb 0.75 -5.82 -0.15 0.00 -1.02 0.00 0.00 32.46 26.22 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 -5.05 1.49 0.47 5.56 2.20 -1.26 -4.83 119.74 118.31 2gqj s LYS 62 Ca 0.14 -0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 54.81 2gqj s LYS 62 Cb -0.02 -1.48 -0.09 0.00 -1.51 0.00 0.00 37.83 34.73 2gqj s LYS 62 CO 0.72 0.40 0.95 -1.14 -0.36 0.00 0.00 175.35 175.93 2gqj s GLN 63 N -0.66 4.06 -0.09 4.03 -0.44 -1.26 -0.93 119.66 124.38 2gqj s GLN 63 Ca 0.07 0.99 -0.03 0.00 -2.50 0.00 0.00 55.36 53.89 2gqj s GLN 63 Cb -0.08 -2.18 0.04 0.00 -1.64 0.00 0.00 33.01 29.16 2gqj s GLN 63 CO -0.00 -0.15 0.07 -0.06 0.50 0.00 0.00 175.29 175.66 2gqj s PHE 64 N -2.41 0.10 -0.29 1.67 0.40 -1.26 -4.95 117.98 111.24 2gqj s PHE 64 Ca 0.60 0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.96 2gqj s PHE 64 Cb -0.10 -0.55 0.02 0.00 0.51 0.00 0.00 43.02 42.90 2gqj s PHE 64 CO 0.23 -0.30 2.74 1.17 0.70 0.00 0.00 175.22 179.76 2gqj n LYS 65 N 5.29 2.07 -3.24 0.44 3.00 -1.26 -4.71 118.16 119.76 2gqj n LYS 65 Ca -0.04 -1.70 0.03 0.00 -0.00 0.00 0.00 58.31 56.60 2gqj n LYS 65 Cb 0.50 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.58 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2gqj s SER 66 N 0.80 -0.28 0.13 3.14 0.15 -1.26 -5.02 113.70 111.36 2gqj s SER 66 Ca 0.50 0.32 -0.26 0.00 0.70 0.00 0.00 55.95 57.21 2gqj s SER 66 Cb 0.31 1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 65.87 2gqj s SER 66 CO -0.11 -0.05 1.62 0.11 1.20 0.00 0.00 173.24 176.01 2gqj h LYS 67 N 7.41 -0.40 -0.87 5.44 1.79 -2.01 -1.64 116.57 126.29 2gqj h LYS 67 Ca -0.14 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2gqj h LYS 67 Cb 1.14 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.81 2gqj h LYS 67 CO 0.02 -0.27 0.54 0.00 -1.08 0.00 0.00 179.45 178.66 2gqj h ALA 68 N 0.39 1.21 -0.50 3.86 0.00 -1.99 -1.59 119.26 120.64 2gqj h ALA 68 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2gqj h ALA 68 Cb 0.52 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2gqj h ALA 68 CO -0.28 0.27 0.21 0.78 0.00 0.00 0.00 179.25 180.23 2gqj h GLY 69 N 0.97 0.68 0.69 0.00 0.00 -1.74 -1.15 103.07 102.52 2gqj h GLY 69 Ca 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2gqj h GLY 69 CO -0.18 0.05 -0.15 -2.00 0.00 0.00 0.00 176.54 174.26 2gqj h LEU 70 N 0.41 -0.36 -0.86 3.11 5.85 -0.80 0.17 115.31 122.84 2gqj h LEU 70 Ca 0.23 -0.16 0.21 0.00 0.84 0.00 0.00 57.88 59.00 2gqj h LEU 70 Cb 0.20 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.20 2gqj h LEU 70 CO -0.20 -0.01 0.31 0.78 -0.34 0.00 0.00 178.44 178.98 2gqj h ASN 71 N -0.75 0.19 -0.06 1.25 2.35 -1.17 0.41 115.58 117.80 2gqj h ASN 71 Ca -0.04 0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 2gqj h ASN 71 Cb 0.50 0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.06 2gqj h ASN 71 CO 0.07 -0.05 -0.64 0.22 -1.65 0.00 0.00 177.43 175.39 2gqj h TYR 72 N 0.33 0.76 0.58 1.19 5.03 -1.16 -3.25 116.97 120.45 2gqj h TYR 72 Ca 0.53 -0.37 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 2gqj h TYR 72 Cb 1.00 -0.10 0.01 0.00 1.55 0.00 0.00 36.73 39.18 2gqj h TYR 72 CO -0.19 1.18 -0.28 1.25 -1.32 0.00 0.00 178.16 178.79 2gqj h HIS 73 N 0.13 -0.72 -0.86 -3.82 2.76 0.11 0.87 115.15 113.62 2gqj h HIS 73 Ca -0.06 -0.02 0.35 0.00 -2.20 0.00 0.00 60.37 58.44 2gqj h HIS 73 Cb 1.30 0.24 -0.16 0.00 1.55 0.00 0.00 27.41 30.35 2gqj h HIS 73 CO 0.12 -0.45 0.42 2.41 -1.30 0.00 0.00 177.93 179.12 2gqj n THR 74 N -4.12 -0.36 0.02 6.26 -1.04 0.13 0.23 114.28 115.39 2gqj n THR 74 Ca -0.10 1.77 -0.10 0.00 -2.04 0.00 0.00 64.05 63.58 2gqj n THR 74 Cb 0.31 -2.84 -0.13 0.00 -1.82 0.00 0.00 70.33 65.85 2gqj n THR 74 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2gqj h MET 75 N 0.00 0.05 -0.33 -2.82 1.85 -1.54 0.12 114.93 112.27 2gqj h MET 75 Ca 0.71 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.68 2gqj h MET 75 Cb 1.84 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.89 2gqj h MET 75 CO -0.68 0.79 0.08 0.00 -0.40 0.00 0.00 176.91 176.70 2gqj h ALA 76 N 0.88 1.52 0.00 0.39 0.00 1.03 -3.35 119.26 119.73 2gqj h ALA 76 Ca -0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gqj h ALA 76 Cb 1.93 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2gqj h ALA 76 CO 0.11 0.36 -0.41 0.39 0.00 0.00 0.00 179.25 179.70 2gqj n GLU 77 N -4.35 0.21 -2.63 0.00 -0.58 0.36 -4.85 120.64 108.80 2gqj n GLU 77 Ca 0.02 0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.41 2gqj n GLU 77 Cb 0.18 -0.87 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 2gqj n GLU 77 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2gqj s HIS 78 N -2.37 2.84 0.06 -0.32 3.76 0.43 -4.85 115.29 114.84 2gqj s HIS 78 Ca -0.12 -1.56 -0.20 0.00 -0.15 0.00 0.00 55.06 53.03 2gqj s HIS 78 Cb 0.02 -4.69 0.07 0.00 1.11 0.00 0.00 32.58 29.09 2gqj s HIS 78 CO 0.17 -1.77 0.94 0.45 -0.85 0.00 0.00 174.74 173.68 2gqj n SER 79 N 8.10 -1.16 -3.71 1.40 2.88 -1.26 -4.09 113.62 115.79 2gqj n SER 79 Ca 0.44 -1.44 -0.41 0.00 -1.33 0.00 0.00 58.87 56.13 2gqj n SER 79 Cb 0.46 1.84 0.01 0.00 -0.75 0.00 0.00 64.21 65.78 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 -1.29 5.95 -1.89 -1.46 0.00 -1.26 -4.93 120.51 115.63 2gqj n ALA 80 Ca -0.10 -4.56 -0.33 0.00 0.00 0.00 0.00 53.44 48.46 2gqj n ALA 80 Cb 0.47 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2gqj n ALA 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gqj s LYS 81 N -3.25 4.09 -0.02 0.00 0.00 -1.26 -5.01 119.74 114.30 2gqj s LYS 81 Ca 0.39 0.98 -0.26 0.00 0.00 0.00 0.00 55.97 57.08 2gqj s LYS 81 Cb 0.15 -2.21 -0.20 0.00 0.00 0.00 0.00 37.83 35.57 2gqj s LYS 81 CO -0.06 -0.08 1.27 -1.00 0.00 0.00 0.00 175.35 175.48 2gqj h PRO 82 N 1.62 0.02 -6.83 1.78 0.13 -1.99 -3.34 132.00 123.39 2gqj h PRO 82 Ca -0.48 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 2gqj h PRO 82 Cb 1.18 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.41 2gqj h PRO 82 CO 0.62 0.50 0.72 0.43 -0.23 0.00 0.00 178.00 180.03 2gqj n SER 83 N -4.84 3.47 -3.50 1.44 7.64 -1.26 -2.14 113.62 114.43 2gqj n SER 83 Ca -0.08 1.20 -0.27 0.00 1.01 0.00 0.00 58.87 60.72 2gqj n SER 83 Cb 0.25 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 61.84 2gqj n SER 83 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gqj n ASP 84 N 1.08 -1.27 -4.51 6.43 2.03 -1.26 -4.81 116.55 114.24 2gqj n ASP 84 Ca 0.05 -0.74 -0.31 0.00 0.52 0.00 0.00 54.79 54.31 2gqj n ASP 84 Cb 0.37 -1.12 0.18 0.00 -0.72 0.00 0.00 41.12 39.83 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gqj n ALA 85 N -2.95 -2.23 -0.81 -1.67 0.00 -0.91 -4.97 120.51 106.97 2gqj n ALA 85 Ca 0.08 -0.84 -0.28 0.00 0.00 0.00 0.00 53.44 52.39 2gqj n ALA 85 Cb 0.34 -1.97 0.23 0.00 0.00 0.00 0.00 19.45 18.05 2gqj n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gqj s GLU 86 N -4.19 -0.64 0.50 0.00 2.56 -1.26 -4.90 118.70 110.77 2gqj s GLU 86 Ca 0.64 0.59 -0.14 0.00 0.00 0.00 0.00 54.97 56.06 2gqj s GLU 86 Cb -0.22 -1.61 -0.11 0.00 2.00 0.00 0.00 34.13 34.19 2gqj s GLU 86 CO 0.63 -3.47 -0.26 0.00 -0.56 0.00 0.00 175.26 171.60 2gqj n ALA 87 N -4.70 -3.37 -0.96 6.30 0.00 -1.26 -4.52 120.51 112.00 2gqj n ALA 87 Ca 0.04 -0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2gqj n ALA 87 Cb 0.56 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2gqj n ALA 87 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gqj n SER 88 N 2.16 0.08 -4.54 0.00 3.41 -1.26 -4.94 113.62 108.53 2gqj n SER 88 Ca 0.04 0.73 -0.30 0.00 -0.26 0.00 0.00 58.87 59.08 2gqj n SER 88 Cb 0.38 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 2gqj n SER 88 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2gqj s GLU 89 N 0.22 2.10 -0.08 4.33 1.03 -1.26 -5.15 118.70 119.88 2gqj s GLU 89 Ca 0.58 -2.31 0.04 0.00 0.03 0.00 0.00 54.97 53.31 2gqj s GLU 89 Cb -0.82 -1.23 -0.01 0.00 -0.80 0.00 0.00 34.13 31.27 2gqj s GLU 89 CO 0.38 -0.39 -0.20 0.20 -1.33 0.00 0.00 175.26 173.92 2gqj s GLY 90 N -3.78 1.41 0.00 -3.83 0.00 -1.26 -5.12 107.32 94.74 2gqj s GLY 90 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2gqj s GLY 90 CO 0.07 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.29 2gqj n GLY 91 N 3.08 5.31 3.26 0.20 0.00 -1.26 -5.18 105.19 110.60 2gqj n GLY 91 Ca -0.18 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.87 0.93 0.34 1.61 2.56 -1.26 -5.18 118.70 116.82 2gqj s GLU 92 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 54.97 54.25 2gqj s GLU 92 Cb 0.00 0.40 -0.03 0.00 2.00 0.00 0.00 34.13 36.50 2gqj s GLU 92 CO 0.00 -0.33 0.23 -1.12 -0.56 0.00 0.00 175.26 173.48 2gqj s SER 93 N -2.70 1.80 -0.07 -1.70 0.01 -1.26 -5.16 113.70 104.62 2gqj s SER 93 Ca 0.02 -1.71 -0.01 0.00 1.31 0.00 0.00 55.95 55.57 2gqj s SER 93 Cb 0.03 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.81 2gqj s SER 93 CO -0.10 -1.01 -0.02 -0.83 0.41 0.00 0.00 173.24 171.68 2gqj s GLY 94 N -3.41 0.52 0.58 3.44 0.00 -1.26 -5.15 107.32 102.05 2gqj s GLY 94 Ca 0.37 -0.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.82 2gqj s GLY 94 CO 0.23 0.89 0.52 -1.55 0.00 0.00 0.00 173.10 173.19 2gqj n PRO 95 N 4.81 -2.04 -4.32 2.90 -0.04 -1.26 -5.10 135.00 129.96 2gqj n PRO 95 Ca -0.13 -0.82 -0.17 0.00 -0.04 0.00 0.00 63.50 62.34 2gqj n PRO 95 Cb 0.50 -0.77 -0.10 0.00 -0.04 0.00 0.00 33.50 33.09 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 -2.90 1.79 0.42 3.54 0.15 -1.26 -5.17 113.70 110.27 2gqj s SER 96 Ca 0.34 -1.20 0.03 0.00 0.70 0.00 0.00 55.95 55.82 2gqj s SER 96 Cb -0.03 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 2gqj s SER 96 CO 0.26 -0.50 0.10 -0.94 1.20 0.00 0.00 173.24 173.36 2gqj s SER 97 N -3.29 2.98 0.00 5.45 1.04 -1.26 -5.37 113.70 113.24 2gqj s SER 97 Ca 0.27 -1.65 0.20 0.00 0.48 0.00 0.00 55.95 55.26 2gqj s SER 97 Cb 0.05 0.46 0.16 0.00 0.10 0.00 0.00 66.02 66.80 2gqj s SER 97 CO 0.08 -0.90 1.14 0.61 0.98 0.00 0.00 173.24 175.16