#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 2.69 -0.28 1.61 1.04 -1.26 -5.08 113.70 112.42 2gqj s SER 2 Ca 0.00 1.35 -0.21 0.00 0.48 0.00 0.00 55.95 57.57 2gqj s SER 2 Cb 0.00 -2.02 0.11 0.00 0.10 0.00 0.00 66.02 64.21 2gqj s SER 2 CO 0.00 -3.11 0.91 -0.55 0.98 0.00 0.00 173.24 171.47 2gqj s SER 3 N -3.31 -0.60 0.00 7.02 0.15 -1.26 -5.11 113.70 110.58 2gqj s SER 3 Ca 0.65 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2gqj s SER 3 Cb -0.19 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2gqj s SER 3 CO 0.58 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2gqj n GLY 4 N 3.11 -0.31 3.44 9.45 0.00 -1.26 -5.14 105.19 114.47 2gqj n GLY 4 Ca -0.16 0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 5.15 0.22 1.61 0.01 -1.26 -5.08 113.70 114.35 2gqj s SER 5 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2gqj s SER 5 Cb 0.00 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 2gqj s SER 5 CO 0.00 -0.06 0.15 -0.44 0.41 0.00 0.00 173.24 173.30 2gqj s SER 6 N 1.61 0.41 0.00 2.44 0.01 -1.26 -5.17 113.70 111.73 2gqj s SER 6 Ca 0.06 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.88 2gqj s SER 6 Cb -0.15 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2gqj s SER 6 CO 0.04 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2gqj n GLY 7 N -0.33 1.98 3.59 3.44 0.00 -1.26 -5.18 105.19 107.43 2gqj n GLY 7 Ca 0.03 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.37 -0.08 1.61 0.04 -1.26 -5.01 135.00 128.93 2gqj s PRO 8 Ca 0.00 -0.13 -0.24 0.00 0.04 0.00 0.00 61.00 60.68 2gqj s PRO 8 Cb 0.00 -1.58 -0.20 0.00 0.04 0.00 0.00 34.50 32.76 2gqj s PRO 8 CO 0.00 -3.80 0.87 0.78 0.04 0.00 0.00 177.00 174.89 2gqj h GLY 9 N -2.64 -0.07 0.00 0.56 0.00 -2.06 -3.50 103.07 95.35 2gqj h GLY 9 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2gqj h GLY 9 CO 0.32 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.44 2gqj n GLY 10 N 0.97 3.61 0.08 4.60 0.00 -1.26 -4.84 105.19 108.35 2gqj n GLY 10 Ca -0.08 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2gqj n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj h PRO 11 N 0.00 0.14 -2.50 1.61 0.13 -2.07 -3.40 132.00 125.91 2gqj h PRO 11 Ca 0.00 -0.07 -0.60 0.00 -0.87 0.00 0.00 66.00 64.46 2gqj h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2gqj h PRO 11 CO 0.00 0.58 -0.88 0.39 -0.23 0.00 0.00 178.00 177.86 2gqj n GLU 12 N -4.74 0.70 -0.05 0.86 4.71 -1.26 -4.94 120.64 115.92 2gqj n GLU 12 Ca -0.08 -3.54 -0.03 0.00 -0.01 0.00 0.00 57.16 53.50 2gqj n GLU 12 Cb 0.29 -1.80 -0.01 0.00 -1.01 0.00 0.00 31.44 28.91 2gqj n GLU 12 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2gqj n GLU 13 N 2.44 0.28 0.10 3.49 2.13 -1.26 -3.77 120.64 124.05 2gqj n GLU 13 Ca 0.27 0.36 -0.02 0.00 0.66 0.00 0.00 57.16 58.42 2gqj n GLU 13 Cb 0.45 -1.27 -0.05 0.00 0.27 0.00 0.00 31.44 30.84 2gqj n GLU 13 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2gqj h GLN 14 N -0.61 0.00 0.00 5.31 4.20 -1.94 -1.10 115.11 120.97 2gqj h GLN 14 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gqj h GLN 14 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2gqj h GLN 14 CO 0.00 0.74 0.00 0.91 -0.67 0.00 0.00 178.83 179.81 2gqj n TRP 15 N -3.28 0.53 -0.09 2.96 8.01 -1.26 -3.60 117.44 120.71 2gqj n TRP 15 Ca 0.00 0.16 -0.19 0.00 -1.31 0.00 0.00 57.50 56.16 2gqj n TRP 15 Cb 0.84 -0.77 -0.06 0.00 -2.01 0.00 0.00 31.31 29.31 2gqj n TRP 15 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 2gqj n GLN 16 N -1.94 0.41 0.00 -0.99 -0.06 -1.20 -4.02 117.38 109.59 2gqj n GLN 16 Ca 0.06 0.18 0.21 0.00 -2.00 0.00 0.00 57.00 55.45 2gqj n GLN 16 Cb 0.36 -1.20 0.53 0.00 -4.06 0.00 0.00 30.24 25.87 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 -0.71 0.00 0.02 3.69 0.11 -1.33 1.15 114.38 117.31 2gqj h ARG 17 Ca -0.44 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.33 2gqj h ARG 17 Cb 1.35 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.38 2gqj h ARG 17 CO -0.27 0.00 -1.81 0.00 0.10 0.00 0.00 179.97 177.99 2gqj n ALA 18 N -2.16 1.38 -0.34 0.08 0.00 -1.24 -2.76 120.51 115.48 2gqj n ALA 18 Ca 0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 2gqj n ALA 18 Cb 1.06 -0.77 0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 0.01 1.24 0.08 0.00 2.04 0.12 0.52 117.51 121.53 2gqj h ILE 19 Ca -0.33 -0.44 -0.29 0.00 1.00 0.00 0.00 64.86 64.80 2gqj h ILE 19 Cb 2.03 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2gqj h ILE 19 CO 0.08 0.23 -1.50 1.12 0.00 0.00 0.00 178.15 178.08 2gqj h HIS 20 N 1.24 0.32 0.41 1.37 2.07 -1.60 -2.89 115.15 116.07 2gqj h HIS 20 Ca 0.33 -0.23 -0.02 0.00 -2.85 0.00 0.00 60.37 57.60 2gqj h HIS 20 Cb -0.13 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.84 2gqj h HIS 20 CO -0.01 1.28 -0.20 0.93 -3.07 0.00 0.00 177.93 176.87 2gqj h GLU 21 N 0.05 -0.53 0.00 5.12 5.08 -1.32 -3.43 114.58 119.55 2gqj h GLU 21 Ca -0.22 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2gqj h GLU 21 Cb 1.98 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.35 2gqj h GLU 21 CO 0.14 -0.26 0.00 0.54 -1.00 0.00 0.00 179.01 178.43 2gqj n ARG 22 N -5.16 0.00 0.02 2.33 1.74 0.18 -5.06 116.66 110.70 2gqj n ARG 22 Ca -0.08 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2gqj n ARG 22 Cb 0.27 -0.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 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 1.71 -1.95 3.27 -0.13 0.00 -0.72 -4.98 105.19 102.39 2gqj n GLY 23 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.20 1.33 -0.56 1.61 -1.05 -1.26 -4.27 118.70 113.30 2gqj s GLU 24 Ca 0.00 -1.71 0.04 0.00 -0.15 0.00 0.00 54.97 53.15 2gqj s GLU 24 Cb 0.00 -0.05 0.14 0.00 -0.44 0.00 0.00 34.13 33.77 2gqj s GLU 24 CO 0.00 -0.33 0.31 0.00 0.95 0.00 0.00 175.26 176.19 2gqj s ALA 25 N -3.91 3.42 1.25 -0.84 0.00 -1.26 -4.54 121.76 115.87 2gqj s ALA 25 Ca 0.38 -3.39 -0.19 0.00 0.00 0.00 0.00 51.96 48.77 2gqj s ALA 25 Cb 0.07 -2.18 0.30 0.00 0.00 0.00 0.00 23.12 21.32 2gqj s ALA 25 CO 0.13 -2.04 1.04 0.14 0.00 0.00 0.00 175.76 175.03 2gqj s VAL 26 N -0.52 1.57 0.01 0.00 -7.23 -1.26 -4.76 120.40 108.20 2gqj s VAL 26 Ca 0.19 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2gqj s VAL 26 Cb -0.22 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2gqj s VAL 26 CO -0.03 0.00 1.38 0.00 -0.31 0.00 0.00 175.10 176.13 2gqj n PRO 28 N 5.19 0.49 -0.04 0.00 -0.04 -1.26 0.14 135.00 139.48 2gqj n PRO 28 Ca 0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2gqj n PRO 28 Cb 0.44 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.71 1.08 -0.28 0.52 -1.04 -1.26 -4.84 114.28 107.75 2gqj n THR 29 Ca 0.05 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2gqj n THR 29 Cb 0.02 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2gqj n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqj n ASN 31 N -0.13 -2.31 -3.64 0.00 6.94 0.38 -4.89 115.26 111.61 2gqj n ASN 31 Ca 0.00 -1.04 -0.28 0.00 -0.02 0.00 0.00 54.58 53.23 2gqj n ASN 31 Cb 0.16 -2.68 -0.16 0.00 -2.36 0.00 0.00 39.78 34.75 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2gqj s VAL 32 N -3.50 0.29 0.24 3.53 -7.23 -1.26 -4.55 120.40 107.92 2gqj s VAL 32 Ca 0.54 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.84 2gqj s VAL 32 Cb -0.30 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.56 2gqj s VAL 32 CO 0.93 -0.55 0.45 1.33 -0.31 0.00 0.00 175.10 176.96 2gqj n VAL 33 N 5.11 0.00 -0.93 1.32 0.24 -1.26 -4.76 118.33 118.05 2gqj n VAL 33 Ca -0.06 -0.71 -0.36 0.00 -2.04 0.00 0.00 64.34 61.18 2gqj n VAL 33 Cb 0.44 0.63 0.06 0.00 -1.47 0.00 0.00 33.84 33.50 2gqj n VAL 33 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2gqj n THR 34 N -0.34 0.00 -0.14 3.34 -1.04 -1.26 -4.80 114.28 110.05 2gqj n THR 34 Ca -0.04 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.61 2gqj n THR 34 Cb 0.37 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.21 0.64 0.00 -2.82 9.65 -2.02 -2.82 114.38 115.81 2gqj h ARG 35 Ca -0.43 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.25 2gqj h ARG 35 Cb 1.34 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 2gqj h ARG 35 CO 0.26 0.68 -0.17 0.87 2.80 0.00 0.00 179.97 184.41 2gqj h LYS 36 N 0.50 0.00 -6.48 0.20 1.79 -1.99 -3.48 116.57 107.11 2gqj h LYS 36 Ca 0.12 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.09 2gqj h LYS 36 Cb 0.34 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 2gqj h LYS 36 CO 0.00 0.17 -0.88 0.25 -1.08 0.00 0.00 179.45 177.92 2gqj n THR 37 N -3.16 -3.01 0.04 -0.16 -2.24 -1.07 -4.55 114.28 100.14 2gqj n THR 37 Ca 0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2gqj n THR 37 Cb 0.58 -2.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.13 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 -4.40 0.16 0.05 3.22 -0.00 -1.26 -4.58 117.00 110.20 2gqj n LEU 38 Ca -0.28 0.13 -0.22 0.00 -0.00 0.00 0.00 56.01 55.63 2gqj n LEU 38 Cb 0.67 0.02 -0.14 0.00 -0.00 0.00 0.00 43.42 43.97 2gqj n LEU 38 CO 0.75 -0.46 -0.61 -0.37 -0.00 0.00 0.00 177.39 176.71 2gqj h VAL 39 N 0.00 0.85 0.02 1.96 -1.51 -2.00 -3.34 116.25 112.24 2gqj h VAL 39 Ca 0.00 -2.45 -0.24 0.00 -1.23 0.00 0.00 66.70 62.78 2gqj h VAL 39 Cb 0.29 2.68 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 2gqj h VAL 39 CO 0.00 0.85 -1.20 1.23 -1.23 0.00 0.00 177.57 177.23 2gqj h GLY 40 N 0.71 0.04 1.95 5.19 0.00 -1.96 -3.25 103.07 105.74 2gqj h GLY 40 Ca -0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2gqj h GLY 40 CO 0.14 0.10 -0.03 -2.00 0.00 0.00 0.00 176.54 174.75 2gqj h LEU 41 N 0.01 0.06 0.05 3.11 5.85 -1.81 0.73 115.31 123.31 2gqj h LEU 41 Ca -0.09 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.34 2gqj h LEU 41 Cb 1.85 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.89 2gqj h LEU 41 CO 0.13 0.10 -1.14 0.11 -0.34 0.00 0.00 178.44 177.30 2gqj h LYS 42 N 0.07 0.64 0.00 1.25 1.57 -1.68 -1.08 116.57 117.33 2gqj h LYS 42 Ca 0.02 -0.77 -0.01 0.00 -1.87 0.00 0.00 60.65 58.01 2gqj h LYS 42 Cb 0.10 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2gqj h LYS 42 CO 0.00 1.34 -0.21 0.87 -0.57 0.00 0.00 179.45 180.88 2gqj h LYS 43 N 0.32 0.00 0.10 3.15 1.57 -1.45 -2.86 116.57 117.40 2gqj h LYS 43 Ca -0.16 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.31 2gqj h LYS 43 Cb 1.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 2gqj h LYS 43 CO 0.22 0.06 -1.67 1.25 -0.57 0.00 0.00 179.45 178.74 2gqj h HIS 44 N 0.00 0.38 -0.23 -1.35 2.76 0.43 -3.35 115.15 113.79 2gqj h HIS 44 Ca -0.00 -0.27 -0.19 0.00 -2.20 0.00 0.00 60.37 57.70 2gqj h HIS 44 Cb 1.05 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2gqj h HIS 44 CO 0.00 1.41 -0.61 0.00 -1.30 0.00 0.00 177.93 177.42 2gqj h MET 45 N 0.06 0.82 -0.59 5.26 -0.00 -1.27 0.57 114.93 119.78 2gqj h MET 45 Ca -0.29 -0.57 0.17 0.00 -0.00 0.00 0.00 59.70 59.00 2gqj h MET 45 Cb 2.02 0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 33.69 2gqj h MET 45 CO 0.13 1.20 0.46 1.05 -0.00 0.00 0.00 176.91 179.75 2gqj h GLU 46 N 0.57 0.00 0.00 -0.10 4.11 -1.66 -2.22 114.58 115.29 2gqj h GLU 46 Ca -0.01 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.13 2gqj h GLU 46 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2gqj h GLU 46 CO 0.13 0.00 -2.07 1.33 0.07 0.00 0.00 179.01 178.47 2gqj n VAL 47 N -4.18 1.08 -0.35 -1.06 0.24 -1.16 -4.55 118.33 108.35 2gqj n VAL 47 Ca 0.11 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 2gqj n VAL 47 Cb 0.69 -0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.06 0.63 -0.12 0.00 4.20 -1.80 0.36 115.11 118.33 2gqj h GLN 49 Ca 0.14 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 2gqj h GLN 49 Cb 0.41 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2gqj h GLN 49 CO -0.83 0.42 -0.55 -0.22 -0.67 0.00 0.00 178.83 176.98 2gqj h LYS 50 N 0.65 0.35 0.27 1.46 3.11 -0.07 -3.24 116.57 119.10 2gqj h LYS 50 Ca 0.60 -0.22 -0.01 0.00 -2.81 0.00 0.00 60.65 58.21 2gqj h LYS 50 Cb 1.09 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2gqj h LYS 50 CO -0.41 0.81 -0.13 -0.07 -2.81 0.00 0.00 179.45 176.85 2gqj h LEU 51 N 0.27 -0.30 -1.63 5.20 3.38 0.36 -3.23 115.31 119.36 2gqj h LEU 51 Ca 0.00 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.46 2gqj h LEU 51 Cb 1.05 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2gqj h LEU 51 CO 0.09 0.03 1.17 0.00 0.09 0.00 0.00 178.44 179.83 2gqj n GLN 52 N -4.35 -0.00 0.05 1.13 10.64 0.66 0.16 117.38 125.67 2gqj n GLN 52 Ca -0.04 0.91 -0.13 0.00 -1.83 0.00 0.00 57.00 55.91 2gqj n GLN 52 Cb 0.14 -2.08 -0.08 0.00 -0.86 0.00 0.00 30.24 27.35 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2gqj h ASP 53 N 0.00 -0.09 -0.85 2.61 3.58 -1.58 -2.05 116.42 118.05 2gqj h ASP 53 Ca 0.78 -0.22 0.19 0.00 0.42 0.00 0.00 57.03 58.20 2gqj h ASP 53 Cb 3.12 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 44.14 2gqj h ASP 53 CO -0.03 0.17 0.56 0.00 -2.88 0.00 0.00 179.24 177.07 2gqj h ALA 54 N 0.53 2.21 -0.86 -0.78 0.00 0.15 -0.04 119.26 120.47 2gqj h ALA 54 Ca -0.01 0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2gqj h ALA 54 Cb 0.31 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 17.72 2gqj h ALA 54 CO 0.02 -0.46 0.09 1.28 0.00 0.00 0.00 179.25 180.18 2gqj n LEU 55 N -4.49 6.32 -4.28 0.00 4.77 -1.09 -4.97 117.00 113.27 2gqj n LEU 55 Ca 0.17 -4.46 -0.33 0.00 -0.03 0.00 0.00 56.01 51.37 2gqj n LEU 55 Cb 0.65 -0.68 -0.16 0.00 -2.33 0.00 0.00 43.42 40.90 2gqj n LEU 55 CO 0.32 1.73 -0.49 -0.75 -1.33 0.00 0.00 177.39 176.87 2gqj s LYS 56 N -3.69 3.21 1.12 3.23 2.20 -0.03 -2.48 119.74 123.29 2gqj s LYS 56 Ca 0.58 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 55.23 2gqj s LYS 56 Cb 0.46 -2.53 0.27 0.00 -1.51 0.00 0.00 37.83 34.53 2gqj s LYS 56 CO 0.01 0.12 1.07 0.00 -0.36 0.00 0.00 175.35 176.19 2gqj n GLN 58 N -4.47 0.00 -0.28 0.00 7.27 -1.26 -4.04 117.38 114.60 2gqj n GLN 58 Ca 0.15 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.23 2gqj n GLN 58 Cb 0.55 -0.32 0.15 0.00 2.41 0.00 0.00 30.24 33.03 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2gqj h HIS 59 N 0.00 0.80 0.00 3.69 3.86 -2.01 -2.96 115.15 118.54 2gqj h HIS 59 Ca 0.00 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2gqj h HIS 59 Cb 0.47 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2gqj h HIS 59 CO 0.00 0.34 -1.88 0.00 0.86 0.00 0.00 177.93 177.26 2gqj n ARG 61 N -2.22 -4.77 -4.37 0.00 5.12 -1.12 -5.01 116.66 104.29 2gqj n ARG 61 Ca -0.08 0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 56.30 2gqj n ARG 61 Cb 0.58 -5.52 -0.13 0.00 -1.16 0.00 0.00 32.46 26.23 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 -5.39 1.48 0.20 5.56 2.20 -1.26 -4.89 119.74 117.63 2gqj s LYS 62 Ca 0.13 -1.32 -0.24 0.00 -0.36 0.00 0.00 55.97 54.18 2gqj s LYS 62 Cb -0.03 -1.94 -0.08 0.00 -1.51 0.00 0.00 37.83 34.27 2gqj s LYS 62 CO 0.77 0.46 0.79 -1.14 -0.36 0.00 0.00 175.35 175.86 2gqj s GLN 63 N -2.08 4.51 -0.14 4.03 -0.44 -1.26 -2.39 119.66 121.88 2gqj s GLN 63 Ca 0.15 1.12 -0.01 0.00 -2.50 0.00 0.00 55.36 54.12 2gqj s GLN 63 Cb -0.10 -3.13 0.04 0.00 -1.64 0.00 0.00 33.01 28.18 2gqj s GLN 63 CO 0.07 0.50 -0.03 -0.06 0.50 0.00 0.00 175.29 176.27 2gqj s PHE 64 N -1.28 1.35 -0.25 1.67 0.40 -1.03 -5.01 117.98 113.82 2gqj s PHE 64 Ca 0.39 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2gqj s PHE 64 Cb -0.21 -1.15 0.26 0.00 0.51 0.00 0.00 43.02 42.42 2gqj s PHE 64 CO 0.25 -0.54 1.71 1.17 0.70 0.00 0.00 175.22 178.50 2gqj n LYS 65 N 4.97 1.67 -3.63 0.44 3.00 -1.26 -4.81 118.16 118.53 2gqj n LYS 65 Ca -0.10 -1.44 -0.13 0.00 -0.00 0.00 0.00 58.31 56.64 2gqj n LYS 65 Cb 0.48 -1.56 -0.07 0.00 0.00 0.00 0.00 35.03 33.88 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2gqj s SER 66 N 0.10 -0.79 -0.05 3.14 0.01 -1.26 -5.06 113.70 109.79 2gqj s SER 66 Ca 0.28 1.45 -0.18 0.00 1.31 0.00 0.00 55.95 58.82 2gqj s SER 66 Cb 0.23 1.44 -0.12 0.00 0.21 0.00 0.00 66.02 67.78 2gqj s SER 66 CO 0.02 -0.25 0.72 0.11 0.41 0.00 0.00 173.24 174.26 2gqj h LYS 67 N 5.43 -0.29 -0.38 12.44 6.56 -2.00 -2.64 116.57 135.68 2gqj h LYS 67 Ca -0.29 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.36 2gqj h LYS 67 Cb 1.17 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.88 2gqj h LYS 67 CO 0.08 0.03 0.26 0.00 -2.06 0.00 0.00 179.45 177.75 2gqj h ALA 68 N -0.63 1.93 -0.31 3.86 0.00 -1.99 -1.90 119.26 120.22 2gqj h ALA 68 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2gqj h ALA 68 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2gqj h ALA 68 CO 0.05 0.00 -0.13 0.78 0.00 0.00 0.00 179.25 179.95 2gqj h GLY 69 N 0.34 0.68 0.98 0.00 0.00 -1.98 -2.26 103.07 100.83 2gqj h GLY 69 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2gqj h GLY 69 CO -0.04 0.55 0.08 -2.00 0.00 0.00 0.00 176.54 175.13 2gqj h LEU 70 N 0.39 0.76 0.18 3.11 5.85 -1.03 -0.58 115.31 123.99 2gqj h LEU 70 Ca 0.07 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2gqj h LEU 70 Cb 0.65 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2gqj h LEU 70 CO 0.04 0.82 -0.10 0.78 -0.34 0.00 0.00 178.44 179.64 2gqj h ASN 71 N 0.66 -0.26 -0.39 1.25 2.35 -1.36 0.27 115.58 118.10 2gqj h ASN 71 Ca 0.15 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2gqj h ASN 71 Cb 0.38 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2gqj h ASN 71 CO 0.01 -0.17 0.22 0.22 -1.65 0.00 0.00 177.43 176.05 2gqj h TYR 72 N -0.27 0.53 0.69 1.19 3.20 -1.36 -3.03 116.97 117.91 2gqj h TYR 72 Ca -0.02 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2gqj h TYR 72 Cb 0.22 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.33 2gqj h TYR 72 CO -0.08 0.41 -0.33 1.25 -1.64 0.00 0.00 178.16 177.77 2gqj h HIS 73 N 0.50 -0.86 -0.84 -3.82 2.76 -0.94 0.30 115.15 112.25 2gqj h HIS 73 Ca 0.14 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.41 2gqj h HIS 73 Cb 0.05 0.28 -0.13 0.00 1.55 0.00 0.00 27.41 29.16 2gqj h HIS 73 CO -0.03 -0.52 -0.37 2.41 -1.30 0.00 0.00 177.93 178.13 2gqj n THR 74 N -5.47 -0.47 -0.03 6.26 -1.04 0.92 0.15 114.28 114.60 2gqj n THR 74 Ca -0.14 1.99 -0.13 0.00 -2.04 0.00 0.00 64.05 63.73 2gqj n THR 74 Cb 0.38 -2.59 -0.11 0.00 -1.82 0.00 0.00 70.33 66.19 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 -0.00 -0.37 -2.82 1.85 -1.47 0.48 114.93 112.59 2gqj h MET 75 Ca 0.26 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.39 2gqj h MET 75 Cb 0.47 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.43 2gqj h MET 75 CO -0.83 0.62 -0.46 0.00 -0.40 0.00 0.00 176.91 175.84 2gqj h ALA 76 N 0.37 -0.68 0.03 0.39 0.00 0.17 -0.57 119.26 118.98 2gqj h ALA 76 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gqj h ALA 76 Cb 0.62 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2gqj h ALA 76 CO 0.00 -0.91 -0.02 0.93 0.00 0.00 0.00 179.25 179.26 2gqj h GLU 77 N -0.30 -0.04 -3.41 0.00 4.39 -0.42 -3.39 114.58 111.41 2gqj h GLU 77 Ca 0.07 0.00 -0.79 0.00 0.34 0.00 0.00 59.36 58.98 2gqj h GLU 77 Cb 0.47 0.01 -0.29 0.00 -0.10 0.00 0.00 28.75 28.85 2gqj h GLU 77 CO -0.51 0.45 0.45 0.72 -1.16 0.00 0.00 179.01 178.96 2gqj n HIS 78 N -4.74 4.65 -1.53 4.33 8.25 0.17 -5.04 115.22 121.31 2gqj n HIS 78 Ca -0.06 -3.71 -0.49 0.00 -0.26 0.00 0.00 57.72 53.21 2gqj n HIS 78 Cb 0.25 -1.56 -0.04 0.00 1.12 0.00 0.00 29.99 29.76 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj n SER 79 N 2.38 0.56 -1.94 0.41 2.88 -0.22 -3.69 113.62 113.99 2gqj n SER 79 Ca 0.24 1.15 -0.11 0.00 -1.33 0.00 0.00 58.87 58.82 2gqj n SER 79 Cb 0.38 -1.14 -0.14 0.00 -0.75 0.00 0.00 64.21 62.56 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 0.85 6.04 -1.66 -1.46 0.00 -1.26 -4.94 120.51 118.08 2gqj n ALA 80 Ca 0.15 -1.60 -0.45 0.00 0.00 0.00 0.00 53.44 51.54 2gqj n ALA 80 Cb 0.24 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2gqj n ALA 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2gqj n LYS 81 N 2.31 1.96 0.23 0.00 3.00 -1.26 -4.87 118.16 119.52 2gqj n LYS 81 Ca 0.37 0.70 0.11 0.00 -0.00 0.00 0.00 58.31 59.49 2gqj n LYS 81 Cb 0.85 -2.34 0.53 0.00 0.00 0.00 0.00 35.03 34.07 2gqj n LYS 81 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2gqj h PRO 82 N 4.18 0.00 -6.26 1.64 0.13 -2.04 -3.45 132.00 126.21 2gqj h PRO 82 Ca -0.45 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 2gqj h PRO 82 Cb 1.28 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.64 2gqj h PRO 82 CO 0.76 0.20 -1.78 0.43 -0.23 0.00 0.00 178.00 177.38 2gqj n SER 83 N -3.44 -2.69 -3.80 1.44 7.64 -1.26 -5.03 113.62 106.48 2gqj n SER 83 Ca -0.00 -0.09 -0.12 0.00 1.01 0.00 0.00 58.87 59.67 2gqj n SER 83 Cb 0.38 -0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2gqj n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gqj s ASP 84 N -1.42 -0.11 -0.63 6.43 2.15 -1.26 -5.10 116.67 116.72 2gqj s ASP 84 Ca 0.43 -0.04 -0.27 0.00 0.43 0.00 0.00 52.55 53.10 2gqj s ASP 84 Cb -0.00 0.28 -0.00 0.00 -0.30 0.00 0.00 42.92 42.89 2gqj s ASP 84 CO 0.61 -0.44 1.67 0.00 -0.17 0.00 0.00 175.17 176.84 2gqj s ALA 85 N -1.49 2.41 0.02 3.66 0.00 -1.26 -4.98 121.76 120.12 2gqj s ALA 85 Ca -0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2gqj s ALA 85 Cb -0.05 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 2gqj s ALA 85 CO 0.03 -3.60 0.15 -1.21 0.00 0.00 0.00 175.76 171.13 2gqj s GLU 86 N 6.50 3.27 0.04 0.00 2.02 -1.26 -5.12 118.70 124.15 2gqj s GLU 86 Ca 0.58 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 55.18 2gqj s GLU 86 Cb -0.12 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 2gqj s GLU 86 CO 0.20 0.64 -0.12 0.00 0.02 0.00 0.00 175.26 176.01 2gqj s ALA 87 N -1.33 0.95 -0.38 5.21 0.00 -1.26 -5.12 121.76 119.82 2gqj s ALA 87 Ca 0.28 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 2gqj s ALA 87 Cb -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2gqj s ALA 87 CO 0.20 0.15 0.54 0.45 0.00 0.00 0.00 175.76 177.10 2gqj s SER 88 N -1.15 6.31 -0.13 0.00 0.15 -1.26 -4.95 113.70 112.68 2gqj s SER 88 Ca -0.01 -0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.30 2gqj s SER 88 Cb -0.08 -2.28 -0.13 0.00 -1.71 0.00 0.00 66.02 61.83 2gqj s SER 88 CO 0.01 -0.58 0.33 -0.08 1.20 0.00 0.00 173.24 174.11 2gqj h GLU 89 N 8.61 0.00 0.00 5.44 4.57 -2.07 -3.51 114.58 127.62 2gqj h GLU 89 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2gqj h GLU 89 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2gqj h GLU 89 CO 0.81 0.50 0.00 0.41 -1.18 0.00 0.00 179.01 179.55 2gqj n GLY 90 N 1.67 0.08 3.98 1.92 0.00 -1.26 -5.13 105.19 106.45 2gqj n GLY 90 Ca -0.07 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 0.71 2.89 -0.02 0.00 -1.26 -5.07 105.19 102.44 2gqj n GLY 91 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 -5.15 1.90 0.75 1.61 2.56 -1.26 -5.10 118.70 114.00 2gqj s GLU 92 Ca 0.68 -2.59 -0.14 0.00 0.00 0.00 0.00 54.97 52.91 2gqj s GLU 92 Cb -0.04 -3.12 0.05 0.00 2.00 0.00 0.00 34.13 33.02 2gqj s GLU 92 CO 0.45 -1.14 1.18 -1.54 -0.56 0.00 0.00 175.26 173.64 2gqj s SER 93 N -0.31 4.13 0.38 -1.70 1.04 -1.26 -4.93 113.70 111.04 2gqj s SER 93 Ca 0.18 2.26 -0.28 0.00 0.48 0.00 0.00 55.95 58.60 2gqj s SER 93 Cb -0.23 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.21 2gqj s SER 93 CO -0.02 -2.30 1.45 -0.83 0.98 0.00 0.00 173.24 172.52 2gqj s GLY 94 N -2.27 2.95 0.22 7.32 0.00 -1.26 -4.95 107.32 109.34 2gqj s GLY 94 Ca 0.72 1.52 -0.30 0.00 0.00 0.00 0.00 44.72 46.65 2gqj s GLY 94 CO 0.47 2.19 1.29 2.56 0.00 0.00 0.00 173.10 179.61 2gqj s PRO 95 N -2.10 4.41 -0.02 2.90 0.04 -1.26 -5.04 135.00 133.93 2gqj s PRO 95 Ca 0.53 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.66 2gqj s PRO 95 Cb -0.45 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 2gqj s PRO 95 CO 0.61 -0.20 -0.13 0.45 0.04 0.00 0.00 177.00 177.77 2gqj s SER 96 N 0.12 1.54 -0.04 6.66 0.15 -1.26 -5.14 113.70 115.73 2gqj s SER 96 Ca 0.54 -0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.65 2gqj s SER 96 Cb -0.36 -0.23 0.11 0.00 -1.71 0.00 0.00 66.02 63.83 2gqj s SER 96 CO 0.40 0.15 1.15 -0.94 1.20 0.00 0.00 173.24 175.20 2gqj s SER 97 N -0.20 -0.15 0.00 5.45 1.04 -1.26 -5.31 113.70 113.27 2gqj s SER 97 Ca 0.03 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2gqj s SER 97 Cb -0.06 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2gqj s SER 97 CO -0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40