#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 -0.17 -0.24 1.61 0.15 -1.26 -5.17 113.70 108.61 2gqj s SER 2 Ca 0.00 0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.73 2gqj s SER 2 Cb 0.00 0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2gqj s SER 2 CO 0.00 -0.13 0.60 -0.44 1.20 0.00 0.00 173.24 174.47 2gqj s SER 3 N -0.73 -0.78 0.00 5.45 0.01 -1.26 -5.17 113.70 111.22 2gqj s SER 3 Ca 0.05 1.30 -0.29 0.00 1.31 0.00 0.00 55.95 58.32 2gqj s SER 3 Cb -0.02 1.20 0.11 0.00 0.21 0.00 0.00 66.02 67.52 2gqj s SER 3 CO -0.06 -0.22 1.26 -0.83 0.41 0.00 0.00 173.24 173.79 2gqj s GLY 4 N 1.32 -0.30 0.28 3.44 0.00 -1.26 -5.19 107.32 105.62 2gqj s GLY 4 Ca -0.08 0.43 -0.20 0.00 0.00 0.00 0.00 44.72 44.87 2gqj s GLY 4 CO -0.14 1.80 0.84 -1.35 0.00 0.00 0.00 173.10 174.25 2gqj s SER 5 N -3.24 -0.11 0.17 1.64 1.04 -1.26 -5.19 113.70 106.76 2gqj s SER 5 Ca 0.19 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 2gqj s SER 5 Cb 0.03 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 2gqj s SER 5 CO -0.02 -1.34 0.26 -0.94 0.98 0.00 0.00 173.24 172.18 2gqj s SER 6 N -3.06 0.08 0.00 7.02 1.04 -1.26 -5.17 113.70 112.35 2gqj s SER 6 Ca 0.15 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2gqj s SER 6 Cb -0.04 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2gqj s SER 6 CO 0.07 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2gqj n GLY 7 N -0.22 1.59 3.65 7.32 0.00 -1.26 -5.17 105.19 111.09 2gqj n GLY 7 Ca -0.05 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.31 -0.11 0.00 1.61 0.04 -1.26 -5.04 135.00 129.92 2gqj s PRO 8 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2gqj s PRO 8 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2gqj s PRO 8 CO 0.00 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2gqj n GLY 9 N -1.04 -1.79 0.00 0.56 0.00 -1.26 -5.18 105.19 96.48 2gqj n GLY 9 Ca 0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 5.58 0.00 -0.02 0.00 -1.26 -4.97 105.19 104.52 2gqj n GLY 10 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 44.08 2gqj n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqj n PRO 11 N 0.00 0.49 -1.26 1.61 -0.04 -1.26 -3.05 135.00 131.48 2gqj n PRO 11 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2gqj n PRO 11 Cb 0.00 -1.21 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2gqj n PRO 11 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqj n GLU 12 N -0.71 2.44 -0.09 0.54 1.02 -1.26 -4.48 120.64 118.10 2gqj n GLU 12 Ca 0.05 -3.21 -0.23 0.00 -0.02 0.00 0.00 57.16 53.75 2gqj n GLU 12 Cb 0.02 -2.18 -0.12 0.00 -0.02 0.00 0.00 31.44 29.14 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 -1.04 0.61 0.08 3.49 4.07 -1.17 -3.20 120.64 123.48 2gqj n GLU 13 Ca 0.57 0.44 -0.12 0.00 -0.06 0.00 0.00 57.16 57.99 2gqj n GLU 13 Cb 1.18 -1.68 -0.13 0.00 -0.06 0.00 0.00 31.44 30.75 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 -0.77 0.15 -0.12 5.31 4.15 -1.88 -2.66 115.11 119.29 2gqj h GLN 14 Ca -0.44 -0.25 -0.23 0.00 0.77 0.00 0.00 58.65 58.50 2gqj h GLN 14 Cb 1.52 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.31 2gqj h GLN 14 CO -0.19 1.11 -0.84 -1.49 -1.93 0.00 0.00 178.83 175.48 2gqj h TRP 15 N 0.04 1.05 -0.27 3.99 6.55 -1.79 -3.29 115.95 122.24 2gqj h TRP 15 Ca -0.09 -0.49 -0.11 0.00 0.95 0.00 0.00 58.89 59.15 2gqj h TRP 15 Cb 1.89 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 30.03 2gqj h TRP 15 CO 0.03 1.32 -0.27 0.37 -1.05 0.00 0.00 178.44 178.84 2gqj h GLN 16 N 0.50 0.66 -1.91 0.49 4.15 -1.64 -2.91 115.11 114.45 2gqj h GLN 16 Ca -0.07 -0.35 0.56 0.00 0.77 0.00 0.00 58.65 59.56 2gqj h GLN 16 Cb 1.47 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 29.09 2gqj h GLN 16 CO 0.17 0.96 1.37 0.07 -1.93 0.00 0.00 178.83 179.46 2gqj h ARG 17 N 0.39 0.00 0.08 1.69 0.11 -1.53 0.94 114.38 116.06 2gqj h ARG 17 Ca 0.04 -0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.76 2gqj h ARG 17 Cb 0.84 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.88 2gqj h ARG 17 CO 0.07 0.00 -2.07 0.00 0.10 0.00 0.00 179.97 178.07 2gqj n ALA 18 N -2.89 1.08 -0.32 0.08 0.00 -1.16 -2.76 120.51 114.55 2gqj n ALA 18 Ca 0.44 -0.73 0.05 0.00 0.00 0.00 0.00 53.44 53.20 2gqj n ALA 18 Cb 1.96 -0.58 0.25 0.00 0.00 0.00 0.00 19.45 21.08 2gqj n ALA 18 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gqj h ILE 19 N 0.05 1.02 0.04 0.00 2.04 0.10 0.32 117.51 121.08 2gqj h ILE 19 Ca -0.44 -0.34 -0.28 0.00 1.00 0.00 0.00 64.86 64.79 2gqj h ILE 19 Cb 2.02 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2gqj h ILE 19 CO 0.05 0.18 -1.54 1.12 0.00 0.00 0.00 178.15 177.97 2gqj h HIS 20 N 1.01 0.14 0.47 1.37 2.07 -1.22 -2.96 115.15 116.02 2gqj h HIS 20 Ca 0.42 -0.10 -0.02 0.00 -2.85 0.00 0.00 60.37 57.81 2gqj h HIS 20 Cb 0.29 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2gqj h HIS 20 CO -0.00 1.15 -0.23 0.93 -3.07 0.00 0.00 177.93 176.71 2gqj h GLU 21 N 0.02 -0.61 0.00 5.12 4.39 -1.22 -3.43 114.58 118.85 2gqj h GLU 21 Ca -0.23 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2gqj h GLU 21 Cb 1.96 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 2gqj h GLU 21 CO 0.11 -0.32 0.00 0.54 -1.16 0.00 0.00 179.01 178.18 2gqj n ARG 22 N -5.22 0.00 0.12 2.33 5.12 0.11 -5.07 116.66 114.05 2gqj n ARG 22 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2gqj n ARG 22 Cb 0.30 -0.43 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gqj n GLY 23 N 1.66 -1.76 3.15 -0.13 0.00 -1.09 -5.00 105.19 102.02 2gqj n GLY 23 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.72 0.82 -0.74 1.61 1.03 -1.25 -4.41 118.70 114.03 2gqj s GLU 24 Ca 0.00 -1.27 -0.01 0.00 0.03 0.00 0.00 54.97 53.72 2gqj s GLU 24 Cb 0.00 0.26 0.19 0.00 -0.80 0.00 0.00 34.13 33.77 2gqj s GLU 24 CO 0.00 -0.22 0.58 0.00 -1.33 0.00 0.00 175.26 174.29 2gqj s ALA 25 N -3.97 3.87 0.96 -0.84 0.00 -1.26 -4.50 121.76 116.02 2gqj s ALA 25 Ca 0.15 -3.58 -0.11 0.00 0.00 0.00 0.00 51.96 48.42 2gqj s ALA 25 Cb 0.07 -2.65 0.14 0.00 0.00 0.00 0.00 23.12 20.68 2gqj s ALA 25 CO -0.04 -2.12 0.98 1.33 0.00 0.00 0.00 175.76 175.90 2gqj n VAL 26 N 2.80 0.00 -1.66 0.00 0.24 -1.26 -4.69 118.33 113.76 2gqj n VAL 26 Ca 0.15 -0.08 -0.48 0.00 -2.04 0.00 0.00 64.34 61.88 2gqj n VAL 26 Cb 0.37 -0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 31.77 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 3.79 0.49 -0.03 0.00 -0.04 -1.26 0.50 135.00 138.45 2gqj n PRO 28 Ca 0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2gqj n PRO 28 Cb 0.26 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.80 1.22 0.10 0.52 -1.04 -1.26 -4.85 114.28 108.18 2gqj n THR 29 Ca 0.07 0.25 0.05 0.00 -2.04 0.00 0.00 64.05 62.38 2gqj n THR 29 Cb 0.03 -1.95 -0.07 0.00 -1.82 0.00 0.00 70.33 66.52 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 -1.70 -2.89 -3.43 0.00 3.02 0.18 -4.92 115.26 105.52 2gqj n ASN 31 Ca -0.01 -0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 53.95 2gqj n ASN 31 Cb 0.23 -3.80 -0.11 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.25 -0.41 0.13 2.41 -7.23 -1.26 -4.61 120.40 106.18 2gqj s VAL 32 Ca 0.12 -0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 59.93 2gqj s VAL 32 Cb -0.05 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 36.09 2gqj s VAL 32 CO 0.52 -0.30 0.48 1.33 -0.31 0.00 0.00 175.10 176.82 2gqj n VAL 33 N 5.32 0.00 -0.83 1.32 0.24 -1.26 -4.73 118.33 118.40 2gqj n VAL 33 Ca -0.04 -0.37 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 2gqj n VAL 33 Cb 0.48 0.44 0.11 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.01 3.34 -1.04 -1.26 -4.80 114.28 110.17 2gqj n THR 34 Ca -0.02 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 2gqj n THR 34 Cb 0.30 -0.36 -0.07 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.55 0.12 0.00 -2.82 2.43 -2.01 -2.57 114.38 107.97 2gqj h ARG 35 Ca -0.47 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2gqj h ARG 35 Cb 1.35 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2gqj h ARG 35 CO 0.31 0.25 -0.04 0.87 -1.51 0.00 0.00 179.97 179.85 2gqj h LYS 36 N -0.04 0.00 -6.46 0.20 1.57 -1.94 -3.42 116.57 106.47 2gqj h LYS 36 Ca 0.03 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.31 2gqj h LYS 36 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 2gqj h LYS 36 CO -0.00 0.04 -0.81 0.25 -0.57 0.00 0.00 179.45 178.35 2gqj n THR 37 N -3.15 -2.08 0.08 -0.16 -2.24 -0.97 -4.46 114.28 101.30 2gqj n THR 37 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2gqj n THR 37 Cb 0.33 -2.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.06 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 -4.50 0.15 -0.10 3.22 4.77 -1.26 -4.50 117.00 114.78 2gqj n LEU 38 Ca -0.03 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2gqj n LEU 38 Cb 0.55 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2gqj n LEU 38 CO 0.78 -0.65 0.70 -0.37 -1.33 0.00 0.00 177.39 176.52 2gqj h VAL 39 N 0.00 1.28 0.00 4.08 -1.51 -1.99 -2.99 116.25 115.13 2gqj h VAL 39 Ca 0.00 -1.15 -0.27 0.00 -1.23 0.00 0.00 66.70 64.05 2gqj h VAL 39 Cb 0.10 1.41 -0.05 0.00 -2.13 0.00 0.00 31.29 30.63 2gqj h VAL 39 CO 0.00 0.37 -1.57 1.23 -1.23 0.00 0.00 177.57 176.37 2gqj h GLY 40 N 0.35 0.00 0.85 5.19 0.00 -1.96 -3.31 103.07 104.19 2gqj h GLY 40 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.46 2gqj h GLY 40 CO 0.03 0.00 0.62 -2.00 0.00 0.00 0.00 176.54 175.19 2gqj h LEU 41 N 0.00 0.99 -0.28 3.11 5.85 -1.79 1.13 115.31 124.32 2gqj h LEU 41 Ca -0.23 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.30 2gqj h LEU 41 Cb 1.95 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2gqj h LEU 41 CO 0.09 0.65 -0.55 0.11 -0.34 0.00 0.00 178.44 178.40 2gqj h LYS 42 N 1.14 0.87 0.00 1.25 1.57 -1.66 0.29 116.57 120.03 2gqj h LYS 42 Ca 0.40 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2gqj h LYS 42 Cb 0.12 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2gqj h LYS 42 CO -0.14 1.19 -0.08 0.87 -0.57 0.00 0.00 179.45 180.73 2gqj h LYS 43 N 0.66 0.00 0.13 3.15 1.57 -1.47 -3.21 116.57 117.39 2gqj h LYS 43 Ca 0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.43 2gqj h LYS 43 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2gqj h LYS 43 CO 0.12 0.08 -1.92 1.25 -0.57 0.00 0.00 179.45 178.41 2gqj h HIS 44 N 0.00 0.50 0.00 -1.35 2.76 0.14 -3.34 115.15 113.86 2gqj h HIS 44 Ca -0.00 -0.37 -0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2gqj h HIS 44 Cb 1.00 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 2gqj h HIS 44 CO 0.00 1.71 -0.02 0.00 -1.30 0.00 0.00 177.93 178.32 2gqj h MET 45 N 0.08 0.00 -0.15 5.26 -0.00 -0.49 0.43 114.93 120.05 2gqj h MET 45 Ca -0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.18 2gqj h MET 45 Cb 2.05 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.64 2gqj h MET 45 CO 0.11 0.02 -0.45 1.05 -0.00 0.00 0.00 176.91 177.64 2gqj h GLU 46 N 0.00 0.38 0.00 -0.10 -0.00 -1.68 -3.23 114.58 109.96 2gqj h GLU 46 Ca -0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 59.36 59.02 2gqj h GLU 46 Cb 0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 28.82 2gqj h GLU 46 CO 0.00 0.76 -2.12 1.33 -0.00 0.00 0.00 179.01 178.98 2gqj n VAL 47 N -4.00 0.55 -0.11 -1.06 0.24 -0.55 -4.49 118.33 108.92 2gqj n VAL 47 Ca -0.02 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 2gqj n VAL 47 Cb 0.52 -0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.44 0.26 -0.99 0.00 3.07 -1.80 0.25 115.11 115.48 2gqj h GLN 49 Ca 0.06 -0.02 0.15 0.00 0.09 0.00 0.00 58.65 58.93 2gqj h GLN 49 Cb 0.61 -0.06 -0.09 0.00 0.08 0.00 0.00 27.48 28.02 2gqj h GLN 49 CO -0.55 0.18 0.62 -0.22 0.09 0.00 0.00 178.83 178.94 2gqj h LYS 50 N 0.27 0.85 0.02 0.06 3.64 -1.36 -1.22 116.57 118.83 2gqj h LYS 50 Ca 0.37 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2gqj h LYS 50 Cb 0.58 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2gqj h LYS 50 CO -0.46 0.56 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.21 2gqj h LEU 51 N 0.87 -0.02 -0.85 5.20 3.38 0.30 -3.24 115.31 120.95 2gqj h LEU 51 Ca 0.52 -0.75 0.22 0.00 0.09 0.00 0.00 57.88 57.95 2gqj h LEU 51 Cb 0.66 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 2gqj h LEU 51 CO -0.29 0.79 0.18 -0.61 0.09 0.00 0.00 178.44 178.59 2gqj h GLN 52 N -0.87 0.18 0.11 1.13 4.15 -0.21 0.07 115.11 119.66 2gqj h GLN 52 Ca -0.00 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2gqj h GLN 52 Cb 0.77 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2gqj h GLN 52 CO 0.00 0.12 -0.21 0.22 -1.93 0.00 0.00 178.83 177.03 2gqj h ASP 53 N 0.19 -0.59 0.12 -0.69 1.82 -1.33 0.35 116.42 116.29 2gqj h ASP 53 Ca 0.52 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.23 2gqj h ASP 53 Cb 1.00 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2gqj h ASP 53 CO -0.66 -0.30 -0.29 0.00 -1.61 0.00 0.00 179.24 176.39 2gqj h ALA 54 N 0.40 -0.85 -0.82 -0.78 0.00 -1.04 -2.03 119.26 114.14 2gqj h ALA 54 Ca 0.03 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2gqj h ALA 54 Cb 0.42 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2gqj h ALA 54 CO -0.12 -0.90 0.54 -0.07 0.00 0.00 0.00 179.25 178.69 2gqj h LEU 55 N -0.45 0.55 -9.62 0.00 3.38 -1.32 -3.41 115.31 104.43 2gqj h LEU 55 Ca -0.01 0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 2gqj h LEU 55 Cb 0.44 -0.08 0.07 0.00 0.09 0.00 0.00 40.66 41.17 2gqj h LEU 55 CO -0.13 0.29 0.87 1.17 0.09 0.00 0.00 178.44 180.74 2gqj n LYS 56 N -4.52 2.48 -1.93 1.13 4.81 0.12 -4.07 118.16 116.18 2gqj n LYS 56 Ca 0.16 0.89 -0.29 0.00 -0.87 0.00 0.00 58.31 58.19 2gqj n LYS 56 Cb 0.47 -2.68 0.15 0.00 0.02 0.00 0.00 35.03 32.99 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 -3.60 0.03 -0.16 0.00 10.64 -1.26 -3.71 117.38 119.32 2gqj n GLN 58 Ca 0.13 0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 55.20 2gqj n GLN 58 Cb 0.60 -0.92 -0.00 0.00 -0.86 0.00 0.00 30.24 29.06 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2gqj h HIS 59 N -0.01 0.95 0.00 2.61 3.86 -2.00 -3.28 115.15 117.29 2gqj h HIS 59 Ca -0.03 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 58.92 2gqj h HIS 59 Cb 1.04 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2gqj h HIS 59 CO 0.00 0.92 -1.92 0.00 0.86 0.00 0.00 177.93 177.79 2gqj n ARG 61 N -2.26 -5.96 -4.96 0.00 5.12 -1.24 -5.02 116.66 102.34 2gqj n ARG 61 Ca -0.09 0.74 -0.28 0.00 -1.93 0.00 0.00 57.85 56.28 2gqj n ARG 61 Cb 0.62 -5.43 -0.16 0.00 -1.16 0.00 0.00 32.46 26.33 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 -5.34 2.05 0.10 5.56 2.20 -1.26 -4.84 119.74 118.21 2gqj s LYS 62 Ca 0.09 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 2gqj s LYS 62 Cb -0.04 -1.75 -0.06 0.00 -1.51 0.00 0.00 37.83 34.47 2gqj s LYS 62 CO 0.63 0.26 0.82 -1.14 -0.36 0.00 0.00 175.35 175.57 2gqj s GLN 63 N 0.03 4.57 -0.06 4.03 -0.44 -1.26 -1.60 119.66 124.95 2gqj s GLN 63 Ca -0.05 1.19 0.04 0.00 -2.50 0.00 0.00 55.36 54.04 2gqj s GLN 63 Cb -0.13 -3.34 -0.02 0.00 -1.64 0.00 0.00 33.01 27.89 2gqj s GLN 63 CO 0.03 0.35 -0.18 -0.06 0.50 0.00 0.00 175.29 175.93 2gqj s PHE 64 N -0.37 2.59 -0.33 1.67 0.40 -1.26 -4.97 117.98 115.72 2gqj s PHE 64 Ca 0.40 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2gqj s PHE 64 Cb -0.22 -1.63 0.36 0.00 0.51 0.00 0.00 43.02 42.04 2gqj s PHE 64 CO 0.26 0.02 1.73 1.63 0.70 0.00 0.00 175.22 179.56 2gqj n LYS 65 N 2.61 1.86 -3.58 0.44 4.01 -1.26 -4.79 118.16 117.46 2gqj n LYS 65 Ca -0.17 -1.90 -0.02 0.00 -0.51 0.00 0.00 58.31 55.71 2gqj n LYS 65 Cb 0.52 -1.75 -0.05 0.00 -0.51 0.00 0.00 35.03 33.24 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2gqj s SER 66 N -0.38 -0.75 0.10 4.39 1.04 -1.26 -5.04 113.70 111.79 2gqj s SER 66 Ca 0.37 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 2gqj s SER 66 Cb 0.30 1.60 -0.07 0.00 0.10 0.00 0.00 66.02 67.95 2gqj s SER 66 CO 0.04 -0.17 1.63 0.50 0.98 0.00 0.00 173.24 176.23 2gqj h LYS 67 N 7.06 0.36 -0.69 4.02 1.63 -1.99 -2.66 116.57 124.30 2gqj h LYS 67 Ca -0.23 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.47 2gqj h LYS 67 Cb 1.16 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 2gqj h LYS 67 CO 0.14 0.41 0.29 0.00 -3.45 0.00 0.00 179.45 176.83 2gqj h ALA 68 N 0.93 0.90 -0.58 5.00 0.00 -2.00 -2.62 119.26 120.88 2gqj h ALA 68 Ca 0.08 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2gqj h ALA 68 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2gqj h ALA 68 CO -0.01 0.51 0.39 0.78 0.00 0.00 0.00 179.25 180.92 2gqj h GLY 69 N 0.98 0.71 0.74 0.00 0.00 -1.93 -2.91 103.07 100.66 2gqj h GLY 69 Ca 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2gqj h GLY 69 CO -0.02 0.18 -0.31 -2.00 0.00 0.00 0.00 176.54 174.39 2gqj h LEU 70 N 0.58 -0.73 -1.00 3.11 5.85 -1.12 -0.33 115.31 121.68 2gqj h LEU 70 Ca 0.25 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.10 2gqj h LEU 70 Cb 0.25 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.31 2gqj h LEU 70 CO -0.07 -0.37 -0.43 0.59 -0.34 0.00 0.00 178.44 177.82 2gqj n ASN 71 N -5.37 -0.73 -0.04 1.25 3.02 -1.11 -0.02 115.26 112.25 2gqj n ASN 71 Ca -0.12 1.74 -0.11 0.00 -0.03 0.00 0.00 54.58 56.06 2gqj n ASN 71 Cb 0.36 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2gqj n ASN 71 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2gqj h TYR 72 N 0.00 0.26 -0.08 3.10 5.03 -1.56 0.10 116.97 123.82 2gqj h TYR 72 Ca 0.31 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.63 2gqj h TYR 72 Cb 0.56 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.70 2gqj h TYR 72 CO -0.90 0.37 -0.41 1.25 -1.32 0.00 0.00 178.16 177.14 2gqj h HIS 73 N 0.07 -1.17 -0.28 -3.82 2.76 0.11 0.54 115.15 113.36 2gqj h HIS 73 Ca 0.05 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2gqj h HIS 73 Cb 0.23 0.53 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2gqj h HIS 73 CO 0.00 -0.48 0.09 1.15 -1.30 0.00 0.00 177.93 177.39 2gqj h THR 74 N -0.52 1.20 -0.63 6.26 2.02 -0.43 0.56 112.91 121.37 2gqj h THR 74 Ca 0.07 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.66 2gqj h THR 74 Cb 0.63 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2gqj h THR 74 CO -0.36 0.22 0.42 -0.03 0.37 0.00 0.00 175.52 176.13 2gqj h MET 75 N 0.30 0.57 0.00 6.66 -1.53 -0.34 0.28 114.93 120.86 2gqj h MET 75 Ca 0.09 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2gqj h MET 75 Cb 0.25 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.17 2gqj h MET 75 CO -0.00 0.37 -0.16 0.00 0.14 0.00 0.00 176.91 177.26 2gqj h ALA 76 N 1.66 0.00 0.22 0.39 0.00 0.40 -3.33 119.26 118.60 2gqj h ALA 76 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gqj h ALA 76 Cb 0.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2gqj h ALA 76 CO -0.08 0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.15 2gqj h GLU 77 N -0.70 -0.28 -3.85 0.00 5.08 0.10 -3.33 114.58 111.61 2gqj h GLU 77 Ca 0.00 0.02 -0.76 0.00 -1.00 0.00 0.00 59.36 57.62 2gqj h GLU 77 Cb 0.16 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 2gqj h GLU 77 CO 0.00 -0.19 1.56 0.72 -1.00 0.00 0.00 179.01 180.10 2gqj n HIS 78 N -2.86 3.68 -2.39 4.33 8.25 0.96 -5.00 115.22 122.19 2gqj n HIS 78 Ca -0.04 -3.03 -0.26 0.00 -0.26 0.00 0.00 57.72 54.13 2gqj n HIS 78 Cb 0.12 -1.93 0.04 0.00 1.12 0.00 0.00 29.99 29.33 2gqj n HIS 78 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2gqj s SER 79 N 1.22 5.50 -0.26 0.41 1.04 -1.15 -4.27 113.70 116.20 2gqj s SER 79 Ca 0.39 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 2gqj s SER 79 Cb 0.04 -1.61 0.14 0.00 0.10 0.00 0.00 66.02 64.68 2gqj s SER 79 CO 0.01 -1.12 0.38 0.00 0.98 0.00 0.00 173.24 173.49 2gqj s ALA 80 N -3.00 -1.08 0.36 5.32 0.00 -1.26 -5.09 121.76 117.00 2gqj s ALA 80 Ca 0.54 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 2gqj s ALA 80 Cb -0.11 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 2gqj s ALA 80 CO 0.45 -1.45 0.60 0.15 0.00 0.00 0.00 175.76 175.51 2gqj s LYS 81 N 2.53 3.54 0.00 0.00 -0.14 -1.26 -4.96 119.74 119.45 2gqj s LYS 81 Ca 0.11 -0.11 0.09 0.00 -1.36 0.00 0.00 55.97 54.70 2gqj s LYS 81 Cb -0.14 -2.60 0.54 0.00 -1.68 0.00 0.00 37.83 33.95 2gqj s LYS 81 CO -0.21 0.10 0.98 -0.35 -0.76 0.00 0.00 175.35 175.10 2gqj n PRO 82 N -1.62 0.49 -2.39 -1.68 -0.04 -1.26 -4.79 135.00 123.71 2gqj n PRO 82 Ca -0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.04 2gqj n PRO 82 Cb 0.55 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.80 6.99 -0.30 3.54 0.01 -1.26 -5.03 113.70 115.85 2gqj s SER 83 Ca 0.14 2.33 -0.01 0.00 1.31 0.00 0.00 55.95 59.71 2gqj s SER 83 Cb 0.06 -2.62 0.19 0.00 0.21 0.00 0.00 66.02 63.86 2gqj s SER 83 CO 0.10 -0.34 0.61 -0.62 0.41 0.00 0.00 173.24 173.40 2gqj s ASP 84 N -0.94 -1.38 -0.04 2.44 2.15 -1.26 -5.16 116.67 112.48 2gqj s ASP 84 Ca 0.49 0.86 -0.04 0.00 0.43 0.00 0.00 52.55 54.29 2gqj s ASP 84 Cb -0.32 2.15 0.01 0.00 -0.30 0.00 0.00 42.92 44.47 2gqj s ASP 84 CO 0.41 -0.26 0.11 0.00 -0.17 0.00 0.00 175.17 175.27 2gqj s ALA 85 N 2.86 -0.27 0.05 3.66 0.00 -1.26 -5.05 121.76 121.75 2gqj s ALA 85 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2gqj s ALA 85 Cb -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2gqj s ALA 85 CO -0.21 -0.06 0.00 0.39 0.00 0.00 0.00 175.76 175.88 2gqj n GLU 86 N 3.12 0.00 -1.67 0.00 4.71 -1.26 -5.10 120.64 120.44 2gqj n GLU 86 Ca -0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.72 2gqj n GLU 86 Cb 0.59 -0.24 0.16 0.00 -1.01 0.00 0.00 31.44 30.94 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gqj s ALA 87 N -2.00 1.92 -0.14 0.62 0.00 -1.26 -5.08 121.76 115.82 2gqj s ALA 87 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2gqj s ALA 87 Cb 0.00 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.26 2gqj s ALA 87 CO 0.00 -2.42 0.04 -1.54 0.00 0.00 0.00 175.76 171.84 2gqj s SER 88 N -4.41 2.27 0.18 0.00 1.04 -1.26 -5.13 113.70 106.39 2gqj s SER 88 Ca 0.68 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 2gqj s SER 88 Cb -0.09 -0.42 0.06 0.00 0.10 0.00 0.00 66.02 65.67 2gqj s SER 88 CO 0.53 -0.29 0.94 -1.83 0.98 0.00 0.00 173.24 173.57 2gqj s GLU 89 N 1.99 1.30 0.00 4.02 4.04 -1.26 -5.06 118.70 123.73 2gqj s GLU 89 Ca 0.02 -0.73 0.00 0.00 0.04 0.00 0.00 54.97 54.30 2gqj s GLU 89 Cb -0.15 0.43 0.00 0.00 0.02 0.00 0.00 34.13 34.43 2gqj s GLU 89 CO -0.07 -0.60 0.00 0.41 -1.84 0.00 0.00 175.26 173.16 2gqj n GLY 90 N -0.49 2.33 3.50 -3.83 0.00 -1.26 -5.04 105.19 100.40 2gqj n GLY 90 Ca -0.06 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 0.32 3.72 -0.02 0.00 -1.26 -4.80 105.19 103.15 2gqj n GLY 91 Ca 0.00 0.87 -0.62 0.00 0.00 0.00 0.00 46.02 46.28 2gqj n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gqj n GLU 92 N 8.53 0.67 -0.70 1.61 2.13 -1.26 -4.87 120.64 126.75 2gqj n GLU 92 Ca 0.43 0.24 -0.32 0.00 0.66 0.00 0.00 57.16 58.17 2gqj n GLU 92 Cb 0.31 -1.86 0.16 0.00 0.27 0.00 0.00 31.44 30.32 2gqj n GLU 92 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2gqj n SER 93 N 4.93 -1.82 -2.66 4.31 2.88 -1.26 -5.02 113.62 114.99 2gqj n SER 93 Ca 0.29 0.14 -0.03 0.00 -1.33 0.00 0.00 58.87 57.94 2gqj n SER 93 Cb 0.05 -1.17 0.04 0.00 -0.75 0.00 0.00 64.21 62.38 2gqj n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2gqj s GLY 94 N -2.09 -2.04 0.55 0.46 0.00 -1.26 -5.16 107.32 97.77 2gqj s GLY 94 Ca 0.59 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 2gqj s GLY 94 CO 0.66 4.43 1.13 2.56 0.00 0.00 0.00 173.10 181.87 2gqj s PRO 95 N 1.01 3.33 0.63 2.90 0.04 -1.26 -5.04 135.00 136.61 2gqj s PRO 95 Ca 0.22 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 2gqj s PRO 95 Cb 0.15 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2gqj s PRO 95 CO -0.12 -0.86 0.95 0.45 0.04 0.00 0.00 177.00 177.46 2gqj s SER 96 N -1.82 5.44 0.38 6.66 0.15 -1.26 -5.11 113.70 118.15 2gqj s SER 96 Ca 0.72 0.73 0.07 0.00 0.70 0.00 0.00 55.95 58.17 2gqj s SER 96 Cb -0.24 -1.64 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 2gqj s SER 96 CO 0.28 -1.19 0.00 -0.94 1.20 0.00 0.00 173.24 172.59 2gqj s SER 97 N -4.35 3.58 0.00 5.45 1.04 -1.26 -5.36 113.70 112.80 2gqj s SER 97 Ca 0.55 -1.35 0.18 0.00 0.48 0.00 0.00 55.95 55.81 2gqj s SER 97 Cb -0.11 -0.33 0.14 0.00 0.10 0.00 0.00 66.02 65.82 2gqj s SER 97 CO 0.46 -0.45 1.06 0.61 0.98 0.00 0.00 173.24 175.90