#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 1.06 0.28 1.61 0.01 -1.26 -5.14 113.70 110.26 2gqj s SER 2 Ca 0.00 -0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.12 2gqj s SER 2 Cb 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2gqj s SER 2 CO 0.00 -0.17 0.50 -0.44 0.41 0.00 0.00 173.24 173.54 2gqj s SER 3 N 1.63 0.14 -0.30 2.44 0.01 -1.26 -5.16 113.70 111.20 2gqj s SER 3 Ca -0.01 -1.08 -0.12 0.00 1.31 0.00 0.00 55.95 56.05 2gqj s SER 3 Cb -0.13 0.62 0.18 0.00 0.21 0.00 0.00 66.02 66.90 2gqj s SER 3 CO -0.03 -1.21 1.04 -0.83 0.41 0.00 0.00 173.24 172.61 2gqj s GLY 4 N -3.07 -0.54 0.57 3.44 0.00 -1.26 -5.16 107.32 101.29 2gqj s GLY 4 Ca 0.24 2.53 -0.16 0.00 0.00 0.00 0.00 44.72 47.33 2gqj s GLY 4 CO 0.12 3.90 1.03 -0.56 0.00 0.00 0.00 173.10 177.59 2gqj s SER 5 N 2.95 6.09 0.46 1.64 0.01 -1.26 -5.08 113.70 118.52 2gqj s SER 5 Ca 0.08 1.72 0.05 0.00 1.31 0.00 0.00 55.95 59.10 2gqj s SER 5 Cb -0.08 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2gqj s SER 5 CO -0.15 -0.95 0.06 -0.94 0.41 0.00 0.00 173.24 171.66 2gqj s SER 6 N -2.92 4.10 -0.32 2.44 1.04 -1.26 -5.11 113.70 111.67 2gqj s SER 6 Ca 0.62 -1.43 -0.07 0.00 0.48 0.00 0.00 55.95 55.55 2gqj s SER 6 Cb -0.14 -0.01 0.24 0.00 0.10 0.00 0.00 66.02 66.21 2gqj s SER 6 CO 0.35 -0.66 1.19 0.61 0.98 0.00 0.00 173.24 175.72 2gqj n GLY 7 N -1.17 -1.87 3.56 7.32 0.00 -1.26 -5.11 105.19 106.66 2gqj n GLY 7 Ca -0.10 1.29 -0.39 0.00 0.00 0.00 0.00 46.02 46.82 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 0.66 2.76 0.15 1.61 0.04 -1.26 -4.89 135.00 134.06 2gqj s PRO 8 Ca 0.24 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 2gqj s PRO 8 Cb 0.17 -4.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 2gqj s PRO 8 CO -0.10 -2.57 1.51 0.78 0.04 0.00 0.00 177.00 176.66 2gqj h GLY 9 N 15.90 -0.98 0.00 0.56 0.00 -2.02 -3.47 103.07 113.07 2gqj h GLY 9 Ca -0.27 0.81 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2gqj h GLY 9 CO 1.19 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 178.30 2gqj n GLY 10 N -1.25 2.94 0.00 4.60 0.00 -1.26 -4.88 105.19 105.34 2gqj n GLY 10 Ca 0.01 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.87 0.49 -2.27 1.61 -0.04 -1.26 -3.20 135.00 128.46 2gqj n PRO 11 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2gqj n PRO 11 Cb 0.00 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.82 3.29 -0.10 0.54 1.02 -1.26 -4.71 120.64 118.59 2gqj n GLU 12 Ca 0.08 -4.23 -0.18 0.00 -0.02 0.00 0.00 57.16 52.81 2gqj n GLU 12 Cb 0.03 -2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 29.13 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 -0.53 0.54 0.07 3.49 2.13 -1.19 -3.63 120.64 121.51 2gqj n GLU 13 Ca 0.43 0.39 -0.06 0.00 0.66 0.00 0.00 57.16 58.59 2gqj n GLU 13 Cb 0.61 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 30.64 2gqj n GLU 13 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2gqj h GLN 14 N -1.00 0.00 0.00 5.31 4.15 -1.89 -1.66 115.11 120.02 2gqj h GLN 14 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2gqj h GLN 14 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2gqj h GLN 14 CO -0.18 0.95 0.00 -1.49 -1.93 0.00 0.00 178.83 176.18 2gqj h TRP 15 N 0.00 0.00 0.02 3.99 6.55 -1.84 -3.25 115.95 121.42 2gqj h TRP 15 Ca -0.01 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.45 2gqj h TRP 15 Cb 1.70 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.94 2gqj h TRP 15 CO 0.00 0.00 -2.19 0.94 -1.05 0.00 0.00 178.44 176.14 2gqj n GLN 16 N -2.54 0.64 0.00 0.49 -0.06 -1.20 -3.81 117.38 110.90 2gqj n GLN 16 Ca 0.05 0.28 0.22 0.00 -2.00 0.00 0.00 57.00 55.55 2gqj n GLN 16 Cb 0.44 -1.59 0.73 0.00 -4.06 0.00 0.00 30.24 25.76 2gqj n GLN 16 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 2gqj h ARG 17 N -0.48 0.00 0.00 3.69 0.11 -1.40 0.48 114.38 116.78 2gqj h ARG 17 Ca -0.55 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.45 2gqj h ARG 17 Cb 1.73 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.80 2gqj h ARG 17 CO -0.19 0.00 -0.84 0.00 0.10 0.00 0.00 179.97 179.04 2gqj h ALA 18 N 1.57 0.67 -0.30 0.08 0.00 -1.74 -2.93 119.26 116.61 2gqj h ALA 18 Ca 0.27 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2gqj h ALA 18 Cb 1.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2gqj h ALA 18 CO -0.00 0.45 -0.27 0.82 0.00 0.00 0.00 179.25 180.24 2gqj h ILE 19 N 0.00 1.28 -0.00 0.00 2.04 -0.15 0.18 117.51 120.86 2gqj h ILE 19 Ca -0.05 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2gqj h ILE 19 Cb 1.28 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2gqj h ILE 19 CO 0.03 0.44 -0.62 0.00 0.00 0.00 0.00 178.15 178.00 2gqj n HIS 20 N -4.10 0.00 -0.09 1.37 1.44 -1.04 -2.58 115.22 110.22 2gqj n HIS 20 Ca -0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.58 2gqj n HIS 20 Cb 0.44 -0.11 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 2gqj n HIS 20 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2gqj n GLU 21 N -1.14 0.52 -0.11 -1.40 1.02 -1.08 -4.77 120.64 113.67 2gqj n GLU 21 Ca 0.07 0.37 -0.14 0.00 -0.02 0.00 0.00 57.16 57.44 2gqj n GLU 21 Cb 0.36 -1.57 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 2gqj n GLU 21 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2gqj n ARG 22 N -4.48 0.71 0.00 3.49 1.85 0.52 -5.07 116.66 113.67 2gqj n ARG 22 Ca -0.20 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2gqj n ARG 22 Cb 0.51 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 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 2.23 0.85 3.25 2.89 0.00 -0.43 -5.02 105.19 108.96 2gqj n GLY 23 Ca -0.38 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 1.07 -0.69 1.61 -1.05 -1.26 -4.15 118.70 114.23 2gqj s GLU 24 Ca 0.00 -1.48 0.03 0.00 -0.15 0.00 0.00 54.97 53.37 2gqj s GLU 24 Cb 0.00 -0.53 0.17 0.00 -0.44 0.00 0.00 34.13 33.33 2gqj s GLU 24 CO 0.00 0.02 0.49 0.00 0.95 0.00 0.00 175.26 176.72 2gqj s ALA 25 N -3.42 3.77 0.89 -0.84 0.00 -1.26 -4.65 121.76 116.25 2gqj s ALA 25 Ca 0.18 -3.66 -0.12 0.00 0.00 0.00 0.00 51.96 48.37 2gqj s ALA 25 Cb 0.04 -2.36 0.12 0.00 0.00 0.00 0.00 23.12 20.92 2gqj s ALA 25 CO 0.01 -2.09 1.09 0.14 0.00 0.00 0.00 175.76 174.91 2gqj s VAL 26 N -1.03 2.66 -0.11 0.00 -7.23 -1.26 -4.72 120.40 108.71 2gqj s VAL 26 Ca 0.23 0.21 -0.35 0.00 -1.81 0.00 0.00 61.98 60.27 2gqj s VAL 26 Cb -0.12 -2.76 -0.12 0.00 0.56 0.00 0.00 36.38 33.95 2gqj s VAL 26 CO -0.11 -0.28 1.88 0.00 -0.31 0.00 0.00 175.10 176.29 2gqj n PRO 28 N 6.63 0.49 -0.04 0.00 -0.04 -1.26 0.22 135.00 140.99 2gqj n PRO 28 Ca 0.23 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2gqj n PRO 28 Cb 0.28 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.84 0.91 -0.05 0.52 -1.04 -1.26 -4.83 114.28 107.68 2gqj n THR 29 Ca 0.08 0.27 -0.01 0.00 -2.04 0.00 0.00 64.05 62.35 2gqj n THR 29 Cb 0.04 -1.92 -0.14 0.00 -1.82 0.00 0.00 70.33 66.48 2gqj n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqj n ASN 31 N -2.44 -2.85 -3.53 0.00 2.85 0.13 -4.99 115.26 104.44 2gqj n ASN 31 Ca -0.18 -0.18 -0.16 0.00 -0.11 0.00 0.00 54.58 53.96 2gqj n ASN 31 Cb 0.83 -1.91 -0.12 0.00 1.24 0.00 0.00 39.78 39.81 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 -3.10 -0.39 0.09 3.44 -7.23 -1.26 -4.76 120.40 107.18 2gqj s VAL 32 Ca 0.11 0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.19 2gqj s VAL 32 Cb -0.05 -0.62 0.04 0.00 0.56 0.00 0.00 36.38 36.31 2gqj s VAL 32 CO 0.23 -0.09 0.53 1.33 -0.31 0.00 0.00 175.10 176.79 2gqj n VAL 33 N 5.33 0.00 -0.85 1.32 0.24 -1.26 -4.71 118.33 118.40 2gqj n VAL 33 Ca -0.05 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.34 61.62 2gqj n VAL 33 Cb 0.50 0.39 0.09 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 -0.37 0.00 0.07 3.34 -1.04 -1.26 -4.84 114.28 110.18 2gqj n THR 34 Ca -0.01 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.77 2gqj n THR 34 Cb 0.30 -0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 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 -1.49 0.38 -0.00 -2.82 -0.00 -2.02 -3.12 114.38 105.32 2gqj h ARG 35 Ca -0.43 -0.40 0.00 0.00 -0.50 0.00 0.00 59.98 58.66 2gqj h ARG 35 Cb 1.32 0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.40 2gqj h ARG 35 CO 0.26 1.07 -0.26 1.63 0.00 0.00 0.00 179.97 182.68 2gqj n LYS 36 N -3.74 0.27 -3.88 0.04 5.02 -1.26 -4.89 118.16 109.73 2gqj n LYS 36 Ca -0.06 -0.12 -0.27 0.00 -2.02 0.00 0.00 58.31 55.84 2gqj n LYS 36 Cb 0.82 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 2gqj n LYS 36 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gqj n THR 37 N -1.26 -0.50 0.03 -0.18 -2.24 -1.18 -4.66 114.28 104.30 2gqj n THR 37 Ca 0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2gqj n THR 37 Cb 0.32 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.57 0.48 0.07 3.22 -0.00 -1.26 -4.58 117.00 111.36 2gqj n LEU 38 Ca -0.13 0.10 -0.23 0.00 -0.00 0.00 0.00 56.01 55.75 2gqj n LEU 38 Cb 0.47 -0.12 -0.15 0.00 -0.00 0.00 0.00 43.42 43.62 2gqj n LEU 38 CO 0.68 -0.43 -0.54 -0.37 -0.00 0.00 0.00 177.39 176.74 2gqj h VAL 39 N 0.00 0.94 -0.23 1.96 -1.51 -2.00 -3.33 116.25 112.08 2gqj h VAL 39 Ca 0.00 -2.50 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 2gqj h VAL 39 Cb 0.41 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 2gqj h VAL 39 CO 0.00 0.85 0.00 0.61 -1.23 0.00 0.00 177.57 177.80 2gqj n GLY 40 N 1.86 2.04 0.13 5.19 0.00 -1.26 -3.61 105.19 109.53 2gqj n GLY 40 Ca -0.25 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 2gqj n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gqj n LEU 41 N 0.25 2.33 0.06 0.99 7.94 -1.25 -3.64 117.00 123.67 2gqj n LEU 41 Ca 0.11 0.21 -0.15 0.00 -1.11 0.00 0.00 56.01 55.07 2gqj n LEU 41 Cb 0.61 -0.93 -0.14 0.00 0.53 0.00 0.00 43.42 43.50 2gqj n LEU 41 CO 0.13 0.66 -0.26 0.11 -1.11 0.00 0.00 177.39 176.92 2gqj h LYS 42 N -0.55 0.20 0.00 1.96 6.56 -1.76 -2.79 116.57 120.18 2gqj h LYS 42 Ca -0.55 -0.33 -0.05 0.00 -1.06 0.00 0.00 60.65 58.65 2gqj h LYS 42 Cb 1.70 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.48 2gqj h LYS 42 CO -0.21 1.05 -0.24 0.87 -2.06 0.00 0.00 179.45 178.86 2gqj h LYS 43 N 0.05 0.00 0.00 3.15 1.57 -1.79 -3.28 116.57 116.27 2gqj h LYS 43 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2gqj h LYS 43 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2gqj h LYS 43 CO 0.15 0.24 -0.20 1.25 -0.57 0.00 0.00 179.45 180.32 2gqj h HIS 44 N 0.00 0.00 -1.41 -1.35 2.76 -1.64 -3.34 115.15 110.17 2gqj h HIS 44 Ca -0.00 0.00 0.41 0.00 -2.20 0.00 0.00 60.37 58.58 2gqj h HIS 44 Cb 0.87 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.77 2gqj h HIS 44 CO 0.00 0.00 1.20 0.00 -1.30 0.00 0.00 177.93 177.83 2gqj n MET 45 N -4.70 0.01 -0.23 5.26 0.00 -1.05 -0.38 117.12 116.01 2gqj n MET 45 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 57.70 58.57 2gqj n MET 45 Cb 0.11 -2.25 0.01 0.00 0.00 0.00 0.00 33.22 31.09 2gqj n MET 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2gqj h GLU 46 N 0.00 -0.13 0.07 3.17 4.39 -1.68 -2.31 114.58 118.10 2gqj h GLU 46 Ca 0.67 0.01 -0.31 0.00 0.34 0.00 0.00 59.36 60.06 2gqj h GLU 46 Cb 3.06 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 31.71 2gqj h GLU 46 CO -0.01 -0.08 -1.71 -0.39 -1.16 0.00 0.00 179.01 175.66 2gqj h VAL 47 N -0.13 0.91 -0.46 3.13 -1.51 -0.96 -3.38 116.25 113.84 2gqj h VAL 47 Ca 0.26 -2.65 0.04 0.00 -1.23 0.00 0.00 66.70 63.12 2gqj h VAL 47 Cb 0.56 2.57 -0.06 0.00 -2.13 0.00 0.00 31.29 32.23 2gqj h VAL 47 CO -0.73 0.73 -0.27 0.00 -1.23 0.00 0.00 177.57 176.06 2gqj h GLN 49 N 0.00 0.62 -0.87 0.00 4.20 -1.72 0.25 115.11 117.60 2gqj h GLN 49 Ca 0.07 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2gqj h GLN 49 Cb 0.19 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 2gqj h GLN 49 CO -0.43 0.41 0.57 -0.22 -0.67 0.00 0.00 178.83 178.48 2gqj h LYS 50 N 0.64 1.01 0.14 1.46 3.11 0.86 -1.93 116.57 121.86 2gqj h LYS 50 Ca 0.35 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.12 2gqj h LYS 50 Cb 0.35 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2gqj h LYS 50 CO -0.26 0.67 -0.07 -0.07 -2.81 0.00 0.00 179.45 176.91 2gqj h LEU 51 N 1.04 -0.16 -0.77 5.20 3.38 0.11 -3.17 115.31 120.94 2gqj h LEU 51 Ca 0.35 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2gqj h LEU 51 Cb 0.09 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 2gqj h LEU 51 CO -0.12 0.40 -0.57 -0.61 0.09 0.00 0.00 178.44 177.64 2gqj h GLN 52 N -1.00 -0.15 -0.75 1.13 -0.00 -0.50 0.23 115.11 114.08 2gqj h GLN 52 Ca -0.02 0.01 0.17 0.00 -0.00 0.00 0.00 58.65 58.81 2gqj h GLN 52 Cb 0.37 0.03 -0.12 0.00 0.00 0.00 0.00 27.48 27.76 2gqj h GLN 52 CO 0.03 -0.10 0.11 -0.44 0.00 0.00 0.00 178.83 178.43 2gqj h ASP 53 N -0.16 -0.15 0.48 -0.69 3.32 -1.50 -0.42 116.42 117.31 2gqj h ASP 53 Ca 0.13 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2gqj h ASP 53 Cb 0.49 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2gqj h ASP 53 CO -0.81 -0.11 -0.32 0.00 -1.72 0.00 0.00 179.24 176.28 2gqj h ALA 54 N 1.66 -1.12 -0.99 3.45 0.00 -0.58 -2.73 119.26 118.96 2gqj h ALA 54 Ca 0.42 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.45 2gqj h ALA 54 Cb 0.75 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 2gqj h ALA 54 CO -0.58 -1.10 0.55 -0.07 0.00 0.00 0.00 179.25 178.05 2gqj h LEU 55 N -0.76 0.55 -8.96 0.00 3.38 -0.59 -3.37 115.31 105.56 2gqj h LEU 55 Ca -0.06 0.16 -0.57 0.00 0.09 0.00 0.00 57.88 57.49 2gqj h LEU 55 Cb 0.61 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2gqj h LEU 55 CO 0.05 -0.01 1.29 -0.75 0.09 0.00 0.00 178.44 179.10 2gqj s LYS 56 N -5.75 3.45 1.18 1.13 2.20 -0.21 -4.33 119.74 117.40 2gqj s LYS 56 Ca -0.11 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.02 2gqj s LYS 56 Cb 0.28 -4.20 0.26 0.00 -1.51 0.00 0.00 37.83 32.66 2gqj s LYS 56 CO 0.79 -1.73 0.58 0.00 -0.36 0.00 0.00 175.35 174.63 2gqj n GLN 58 N -3.33 0.76 -0.01 0.00 3.00 -1.26 -3.89 117.38 112.65 2gqj n GLN 58 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 2gqj n GLN 58 Cb 0.43 -0.89 0.03 0.00 0.00 0.00 0.00 30.24 29.80 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 0.77 0.00 1.08 3.86 -2.01 -3.34 115.15 115.50 2gqj h HIS 59 Ca 0.00 -0.28 -0.19 0.00 -1.16 0.00 0.00 60.37 58.74 2gqj h HIS 59 Cb 0.79 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 2gqj h HIS 59 CO 0.00 1.03 -1.73 0.00 0.86 0.00 0.00 177.93 178.09 2gqj n ARG 61 N -2.38 -4.01 -4.74 0.00 5.12 -1.25 -5.03 116.66 104.37 2gqj n ARG 61 Ca -0.17 0.49 -0.33 0.00 -1.93 0.00 0.00 57.85 55.91 2gqj n ARG 61 Cb 0.83 -4.47 -0.13 0.00 -1.16 0.00 0.00 32.46 27.54 2gqj n ARG 61 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2gqj s LYS 62 N -4.96 2.84 0.16 5.56 1.02 -1.26 -4.85 119.74 118.26 2gqj s LYS 62 Ca 0.06 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 2gqj s LYS 62 Cb -0.03 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 2gqj s LYS 62 CO 0.43 0.54 0.93 -1.14 -0.92 0.00 0.00 175.35 175.18 2gqj s GLN 63 N -0.48 4.75 -0.12 1.68 2.00 -1.26 -2.56 119.66 123.66 2gqj s GLN 63 Ca 0.07 1.43 -0.00 0.00 -2.00 0.00 0.00 55.36 54.85 2gqj s GLN 63 Cb -0.12 -3.33 0.02 0.00 0.80 0.00 0.00 33.01 30.39 2gqj s GLN 63 CO 0.02 0.37 -0.10 -0.06 -0.50 0.00 0.00 175.29 175.02 2gqj s PHE 64 N -0.57 1.69 -0.10 1.67 0.40 -1.26 -5.01 117.98 114.80 2gqj s PHE 64 Ca 0.43 -0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2gqj s PHE 64 Cb -0.24 -1.34 0.05 0.00 0.51 0.00 0.00 43.02 42.00 2gqj s PHE 64 CO 0.30 -0.56 2.07 1.17 0.70 0.00 0.00 175.22 178.90 2gqj n LYS 65 N 4.87 1.28 -3.36 0.44 3.00 -1.26 -4.67 118.16 118.47 2gqj n LYS 65 Ca -0.14 -0.51 0.02 0.00 -0.00 0.00 0.00 58.31 57.68 2gqj n LYS 65 Cb 0.50 -1.22 -0.04 0.00 0.00 0.00 0.00 35.03 34.27 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 1.45 -0.42 0.11 3.14 0.15 -1.26 -5.03 113.70 111.84 2gqj s SER 66 Ca 0.12 0.58 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 2gqj s SER 66 Cb 0.09 1.46 -0.07 0.00 -1.71 0.00 0.00 66.02 65.78 2gqj s SER 66 CO -0.00 -0.08 1.72 0.50 1.20 0.00 0.00 173.24 176.58 2gqj h LYS 67 N 7.26 0.29 -0.78 5.44 1.63 -1.99 -2.12 116.57 126.30 2gqj h LYS 67 Ca -0.16 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 2gqj h LYS 67 Cb 1.12 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.66 2gqj h LYS 67 CO 0.08 0.26 0.42 0.00 -3.45 0.00 0.00 179.45 176.76 2gqj h ALA 68 N 1.02 1.28 -0.46 5.00 0.00 -1.98 -2.43 119.26 121.68 2gqj h ALA 68 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2gqj h ALA 68 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2gqj h ALA 68 CO -0.01 0.58 0.08 0.78 0.00 0.00 0.00 179.25 180.68 2gqj h GLY 69 N 1.12 0.76 0.89 0.00 0.00 -1.89 -2.93 103.07 101.03 2gqj h GLY 69 Ca 0.27 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2gqj h GLY 69 CO -0.04 0.41 0.05 -2.00 0.00 0.00 0.00 176.54 174.96 2gqj h LEU 70 N 0.69 0.46 -0.48 3.11 5.85 -0.90 -2.51 115.31 121.52 2gqj h LEU 70 Ca 0.15 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.71 2gqj h LEU 70 Cb 0.30 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 2gqj h LEU 70 CO 0.00 0.59 -0.10 0.78 -0.34 0.00 0.00 178.44 179.37 2gqj h ASN 71 N 0.30 -0.41 0.49 1.25 2.35 -1.31 0.22 115.58 118.47 2gqj h ASN 71 Ca 0.09 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2gqj h ASN 71 Cb 0.33 0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2gqj h ASN 71 CO 0.00 -0.15 -0.26 0.22 -1.65 0.00 0.00 177.43 175.60 2gqj h TYR 72 N 0.02 -0.67 0.08 1.19 3.20 -1.45 -2.99 116.97 116.35 2gqj h TYR 72 Ca 0.23 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2gqj h TYR 72 Cb 0.35 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 2gqj h TYR 72 CO -0.39 -0.41 -0.37 1.25 -1.64 0.00 0.00 178.16 176.60 2gqj h HIS 73 N -0.69 -1.04 -0.64 -3.82 2.76 -0.97 0.17 115.15 110.93 2gqj h HIS 73 Ca -0.06 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 2gqj h HIS 73 Cb 0.54 0.44 -0.08 0.00 1.55 0.00 0.00 27.41 29.87 2gqj h HIS 73 CO -0.06 -0.47 -0.38 2.41 -1.30 0.00 0.00 177.93 178.13 2gqj n THR 74 N -5.44 -0.44 -0.07 6.26 -1.04 0.72 -0.02 114.28 114.26 2gqj n THR 74 Ca -0.06 1.86 -0.11 0.00 -2.04 0.00 0.00 64.05 63.70 2gqj n THR 74 Cb 0.36 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.49 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 0.36 -0.26 -2.82 1.85 -1.36 1.88 114.93 114.58 2gqj h MET 75 Ca 0.10 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.15 2gqj h MET 75 Cb 0.26 -0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.18 2gqj h MET 75 CO -0.61 0.43 -0.45 0.00 -0.40 0.00 0.00 176.91 175.89 2gqj h ALA 76 N 0.91 -0.73 0.00 0.39 0.00 0.20 -2.13 119.26 117.90 2gqj h ALA 76 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2gqj h ALA 76 Cb 0.22 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2gqj h ALA 76 CO -0.00 -0.93 -0.41 0.93 0.00 0.00 0.00 179.25 178.83 2gqj h GLU 77 N -0.37 0.00 -3.56 0.00 4.39 -0.45 -3.41 114.58 111.17 2gqj h GLU 77 Ca 0.05 0.00 -0.80 0.00 0.34 0.00 0.00 59.36 58.95 2gqj h GLU 77 Cb 0.50 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.88 2gqj h GLU 77 CO -0.44 0.58 0.47 0.72 -1.16 0.00 0.00 179.01 179.18 2gqj n HIS 78 N -4.61 5.27 -0.08 4.33 8.25 0.64 -4.81 115.22 124.21 2gqj n HIS 78 Ca -0.13 -3.90 -0.09 0.00 -0.26 0.00 0.00 57.72 53.34 2gqj n HIS 78 Cb 0.38 -1.71 -0.05 0.00 1.12 0.00 0.00 29.99 29.73 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 6.63 0.00 -2.92 0.41 0.87 -1.37 -3.23 113.55 113.94 2gqj h SER 79 Ca 0.18 -0.21 -0.62 0.00 -1.23 0.00 0.00 61.79 59.91 2gqj h SER 79 Cb 0.87 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 2gqj h SER 79 CO 1.03 0.92 -0.43 0.00 -0.53 0.00 0.00 176.83 177.81 2gqj s ALA 80 N -2.57 3.91 -0.00 6.23 0.00 -1.26 -4.95 121.76 123.12 2gqj s ALA 80 Ca -0.16 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2gqj s ALA 80 Cb 0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2gqj s ALA 80 CO 0.31 0.73 0.34 0.15 0.00 0.00 0.00 175.76 177.29 2gqj s LYS 81 N -2.14 3.76 0.00 0.00 -0.14 -1.26 -4.97 119.74 114.99 2gqj s LYS 81 Ca 0.31 0.20 0.16 0.00 -1.36 0.00 0.00 55.97 55.28 2gqj s LYS 81 Cb -0.13 -3.14 0.90 0.00 -1.68 0.00 0.00 37.83 33.78 2gqj s LYS 81 CO 0.21 0.67 1.36 -0.35 -0.76 0.00 0.00 175.35 176.48 2gqj n PRO 82 N 1.54 0.43 -3.98 -1.68 -0.04 -1.26 -4.61 135.00 125.41 2gqj n PRO 82 Ca -0.13 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.19 2gqj n PRO 82 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2gqj n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqj s SER 83 N -2.12 0.44 -0.09 3.54 0.15 -1.26 -5.15 113.70 109.22 2gqj s SER 83 Ca 0.22 -0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 2gqj s SER 83 Cb 0.11 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2gqj s SER 83 CO 0.19 -0.06 0.17 -1.81 1.20 0.00 0.00 173.24 172.93 2gqj s ASP 84 N 0.70 6.41 -0.73 5.45 1.01 -1.26 -5.04 116.67 123.21 2gqj s ASP 84 Ca -0.07 0.48 -0.27 0.00 0.71 0.00 0.00 52.55 53.39 2gqj s ASP 84 Cb -0.10 -2.07 0.03 0.00 1.01 0.00 0.00 42.92 41.79 2gqj s ASP 84 CO -0.01 0.37 1.30 0.00 0.21 0.00 0.00 175.17 177.04 2gqj s ALA 85 N -1.10 2.73 0.12 5.23 0.00 -1.26 -4.96 121.76 122.53 2gqj s ALA 85 Ca 0.18 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 2gqj s ALA 85 Cb -0.12 -4.25 -0.13 0.00 0.00 0.00 0.00 23.12 18.61 2gqj s ALA 85 CO 0.08 -3.29 0.46 -1.91 0.00 0.00 0.00 175.76 171.10 2gqj n GLU 86 N 9.33 0.00 -3.39 0.00 4.07 -1.26 -4.85 120.64 124.55 2gqj n GLU 86 Ca 0.04 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.70 2gqj n GLU 86 Cb 0.49 -0.81 -0.01 0.00 -0.06 0.00 0.00 31.44 31.05 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gqj s ALA 87 N -0.61 4.62 -0.58 4.31 0.00 -1.26 -4.96 121.76 123.27 2gqj s ALA 87 Ca 0.51 -3.81 -0.01 0.00 0.00 0.00 0.00 51.96 48.66 2gqj s ALA 87 Cb -0.74 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.08 2gqj s ALA 87 CO 0.42 -2.20 0.37 -1.12 0.00 0.00 0.00 175.76 173.23 2gqj s SER 88 N 1.15 4.95 -0.27 0.00 0.01 -1.26 -5.03 113.70 113.25 2gqj s SER 88 Ca 0.29 -2.87 -0.00 0.00 1.31 0.00 0.00 55.95 54.68 2gqj s SER 88 Cb -0.10 -1.78 0.08 0.00 0.21 0.00 0.00 66.02 64.43 2gqj s SER 88 CO -0.09 -0.33 0.03 -1.61 0.41 0.00 0.00 173.24 171.65 2gqj s GLU 89 N -0.09 1.10 0.35 12.44 8.01 -1.26 -5.11 118.70 134.14 2gqj s GLU 89 Ca 0.17 -1.02 -0.01 0.00 0.01 0.00 0.00 54.97 54.12 2gqj s GLU 89 Cb -0.22 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.23 2gqj s GLU 89 CO -0.02 -0.78 0.46 0.20 0.01 0.00 0.00 175.26 175.12 2gqj s GLY 90 N 1.50 1.66 0.00 -1.39 0.00 -1.26 -5.09 107.32 102.74 2gqj s GLY 90 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2gqj s GLY 90 CO -0.13 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.51 2gqj n GLY 91 N -0.59 -1.72 3.03 0.20 0.00 -1.26 -5.13 105.19 99.72 2gqj n GLY 91 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.14 0.44 0.17 1.61 2.56 -1.26 -5.17 118.70 116.90 2gqj s GLU 92 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 54.97 54.27 2gqj s GLU 92 Cb 0.00 -0.11 -0.04 0.00 2.00 0.00 0.00 34.13 35.98 2gqj s GLU 92 CO 0.00 0.00 0.07 -1.54 -0.56 0.00 0.00 175.26 173.24 2gqj s SER 93 N -1.55 0.49 -0.36 -1.70 1.04 -1.26 -5.13 113.70 105.23 2gqj s SER 93 Ca -0.12 -1.27 -0.00 0.00 0.48 0.00 0.00 55.95 55.03 2gqj s SER 93 Cb -0.10 0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.43 2gqj s SER 93 CO -0.00 -0.74 0.19 -0.83 0.98 0.00 0.00 173.24 172.84 2gqj s GLY 94 N -3.13 0.99 -0.01 7.32 0.00 -1.26 -5.11 107.32 106.12 2gqj s GLY 94 Ca 0.30 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 2gqj s GLY 94 CO 0.06 1.92 1.46 2.56 0.00 0.00 0.00 173.10 179.10 2gqj s PRO 95 N 1.14 4.25 -0.16 2.90 0.04 -1.26 -5.00 135.00 136.90 2gqj s PRO 95 Ca 0.16 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 2gqj s PRO 95 Cb -0.22 -3.65 0.08 0.00 0.04 0.00 0.00 34.50 30.75 2gqj s PRO 95 CO -0.08 -0.65 0.22 0.45 0.04 0.00 0.00 177.00 176.98 2gqj s SER 96 N 2.18 1.02 0.12 6.66 0.15 -1.26 -5.14 113.70 117.43 2gqj s SER 96 Ca 0.66 0.07 -0.25 0.00 0.70 0.00 0.00 55.95 57.14 2gqj s SER 96 Cb -0.32 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.50 2gqj s SER 96 CO 0.27 -0.29 1.10 -0.94 1.20 0.00 0.00 173.24 174.57 2gqj s SER 97 N 2.34 -0.03 0.00 5.45 1.04 -1.26 -5.36 113.70 115.87 2gqj s SER 97 Ca 0.05 -0.49 0.16 0.00 0.48 0.00 0.00 55.95 56.15 2gqj s SER 97 Cb -0.14 0.40 0.12 0.00 0.10 0.00 0.00 66.02 66.50 2gqj s SER 97 CO -0.10 -0.78 1.00 0.61 0.98 0.00 0.00 173.24 174.95