#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 -0.56 -0.06 1.61 0.15 -1.26 -5.16 113.70 108.43 2gqj s SER 2 Ca 0.00 0.71 -0.14 0.00 0.70 0.00 0.00 55.95 57.21 2gqj s SER 2 Cb 0.00 1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 65.87 2gqj s SER 2 CO 0.00 -0.11 0.38 -0.94 1.20 0.00 0.00 173.24 173.77 2gqj s SER 3 N 2.49 6.69 0.00 5.45 1.04 -1.26 -5.09 113.70 123.03 2gqj s SER 3 Ca -0.02 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2gqj s SER 3 Cb -0.06 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2gqj s SER 3 CO -0.17 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2gqj n GLY 4 N 2.32 3.01 3.06 7.32 0.00 -1.26 -5.15 105.19 114.50 2gqj n GLY 4 Ca -0.13 -2.08 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqj s SER 5 N -0.70 1.09 0.15 1.61 0.15 -1.26 -5.16 113.70 109.58 2gqj s SER 5 Ca 0.00 -0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 2gqj s SER 5 Cb 0.00 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2gqj s SER 5 CO 0.00 -0.03 0.36 -0.44 1.20 0.00 0.00 173.24 174.33 2gqj s SER 6 N -0.96 -0.10 0.00 5.45 0.01 -1.26 -5.07 113.70 111.77 2gqj s SER 6 Ca -0.02 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2gqj s SER 6 Cb -0.07 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2gqj s SER 6 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2gqj n GLY 7 N -0.22 0.73 3.74 3.44 0.00 -1.26 -5.13 105.19 106.50 2gqj n GLY 7 Ca -0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.61 1.72 -0.08 1.61 0.04 -1.26 -5.00 135.00 131.42 2gqj s PRO 8 Ca 0.00 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 61.75 2gqj s PRO 8 Cb 0.00 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.46 2gqj s PRO 8 CO 0.00 -1.97 1.02 0.78 0.04 0.00 0.00 177.00 176.87 2gqj h GLY 9 N -1.36 0.01 0.00 0.56 0.00 -2.00 -3.51 103.07 96.78 2gqj h GLY 9 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2gqj h GLY 9 CO 0.53 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.70 2gqj n GLY 10 N 0.92 0.97 0.00 4.60 0.00 -1.26 -4.81 105.19 105.62 2gqj n GLY 10 Ca -0.09 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.63 0.49 -2.44 1.61 -0.04 -1.26 -3.14 135.00 128.59 2gqj n PRO 11 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2gqj n PRO 11 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.85 3.42 -0.08 0.54 1.02 -1.26 -4.76 120.64 118.67 2gqj n GLU 12 Ca 0.08 -4.47 -0.07 0.00 -0.02 0.00 0.00 57.16 52.68 2gqj n GLU 12 Cb 0.04 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 2gqj n GLU 12 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gqj n GLU 13 N -0.50 0.49 0.20 3.49 1.02 -1.19 -3.21 120.64 120.94 2gqj n GLU 13 Ca 0.40 0.40 0.08 0.00 -0.02 0.00 0.00 57.16 58.01 2gqj n GLU 13 Cb 0.67 -1.59 0.31 0.00 -0.02 0.00 0.00 31.44 30.81 2gqj n GLU 13 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2gqj h GLN 14 N -1.00 0.00 0.00 3.49 5.75 -1.88 -0.16 115.11 121.31 2gqj h GLN 14 Ca -0.02 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.25 2gqj h GLN 14 Cb 0.74 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.26 2gqj h GLN 14 CO -0.01 0.30 -1.26 -1.49 -2.65 0.00 0.00 178.83 173.71 2gqj h TRP 15 N 0.00 0.00 0.10 3.99 6.55 -1.86 -3.35 115.95 121.39 2gqj h TRP 15 Ca -0.00 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.59 2gqj h TRP 15 Cb 0.95 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.25 2gqj h TRP 15 CO 0.00 0.92 -1.25 0.37 -1.05 0.00 0.00 178.44 177.43 2gqj h GLN 16 N 0.00 0.22 -1.32 0.49 -0.00 -1.50 -3.21 115.11 109.79 2gqj h GLN 16 Ca -0.13 -0.38 0.38 0.00 -0.00 0.00 0.00 58.65 58.53 2gqj h GLN 16 Cb 1.82 0.14 -0.07 0.00 0.00 0.00 0.00 27.48 29.36 2gqj h GLN 16 CO 0.10 1.18 0.92 0.07 0.00 0.00 0.00 178.83 181.10 2gqj h ARG 17 N -0.40 0.09 0.00 1.69 0.11 -1.18 1.30 114.38 115.99 2gqj h ARG 17 Ca -0.27 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.68 2gqj h ARG 17 Cb 1.68 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.72 2gqj h ARG 17 CO 0.05 0.06 -1.03 0.00 0.10 0.00 0.00 179.97 179.14 2gqj h ALA 18 N 1.41 0.65 -0.48 0.08 0.00 -1.69 -2.66 119.26 116.56 2gqj h ALA 18 Ca 0.67 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2gqj h ALA 18 Cb 2.43 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 2gqj h ALA 18 CO -0.13 0.69 -0.14 0.82 0.00 0.00 0.00 179.25 180.49 2gqj h ILE 19 N 0.00 1.27 0.00 0.00 2.04 0.16 0.66 117.51 121.64 2gqj h ILE 19 Ca -0.09 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 2gqj h ILE 19 Cb 1.43 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2gqj h ILE 19 CO 0.05 0.44 -1.15 0.00 0.00 0.00 0.00 178.15 177.48 2gqj n HIS 20 N -4.14 0.88 -0.06 1.37 1.44 -0.74 -3.20 115.22 110.77 2gqj n HIS 20 Ca 0.01 0.26 -0.08 0.00 -2.01 0.00 0.00 57.72 55.90 2gqj n HIS 20 Cb 0.40 -0.93 -0.08 0.00 0.12 0.00 0.00 29.99 29.50 2gqj n HIS 20 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2gqj h GLU 21 N 0.00 -0.01 0.00 -1.40 4.39 -1.36 -3.45 114.58 112.76 2gqj h GLU 21 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2gqj h GLU 21 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2gqj h GLU 21 CO 0.01 0.58 0.00 0.54 -1.16 0.00 0.00 179.01 178.98 2gqj n ARG 22 N -4.69 0.00 0.03 2.33 1.74 0.19 -5.07 116.66 111.20 2gqj n ARG 22 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2gqj n ARG 22 Cb 0.28 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 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 2.00 -1.90 3.05 -0.13 0.00 -1.01 -5.00 105.19 102.20 2gqj n GLY 23 Ca 0.00 0.55 -0.09 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 -1.25 0.45 -0.95 1.61 -1.05 -1.26 -4.46 118.70 111.79 2gqj s GLU 24 Ca 0.00 -0.70 -0.10 0.00 -0.15 0.00 0.00 54.97 54.02 2gqj s GLU 24 Cb 0.00 0.17 0.24 0.00 -0.44 0.00 0.00 34.13 34.10 2gqj s GLU 24 CO 0.00 -0.09 0.90 0.00 0.95 0.00 0.00 175.26 177.01 2gqj s ALA 25 N -2.08 4.36 0.61 -0.84 0.00 -1.26 -4.77 121.76 117.78 2gqj s ALA 25 Ca -0.10 -3.60 -0.17 0.00 0.00 0.00 0.00 51.96 48.09 2gqj s ALA 25 Cb -0.05 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2gqj s ALA 25 CO -0.03 -2.22 1.15 0.14 0.00 0.00 0.00 175.76 174.80 2gqj s VAL 26 N -0.62 2.98 -0.24 0.00 -7.23 -1.26 -4.79 120.40 109.24 2gqj s VAL 26 Ca 0.24 0.54 -0.42 0.00 -1.81 0.00 0.00 61.98 60.53 2gqj s VAL 26 Cb -0.10 -3.13 -0.19 0.00 0.56 0.00 0.00 36.38 33.51 2gqj s VAL 26 CO -0.09 -0.20 1.29 0.00 -0.31 0.00 0.00 175.10 175.80 2gqj n PRO 28 N 2.63 0.48 -0.00 0.00 -0.04 -1.26 -0.30 135.00 136.52 2gqj n PRO 28 Ca 0.25 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2gqj n PRO 28 Cb 0.01 -1.33 -0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.83 0.06 0.16 0.52 -1.04 -1.26 -4.85 114.28 107.03 2gqj n THR 29 Ca 0.08 0.34 0.09 0.00 -2.04 0.00 0.00 64.05 62.52 2gqj n THR 29 Cb 0.04 -1.38 -0.13 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.97 -2.86 -3.47 0.00 3.02 0.59 -4.95 115.26 105.62 2gqj n ASN 31 Ca -0.02 -0.32 -0.19 0.00 -0.03 0.00 0.00 54.58 54.02 2gqj n ASN 31 Cb 0.42 -2.99 -0.12 0.00 -0.61 0.00 0.00 39.78 36.48 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 -3.19 -0.32 0.24 2.41 -7.23 -1.26 -4.65 120.40 106.40 2gqj s VAL 32 Ca 0.11 -0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.90 2gqj s VAL 32 Cb -0.05 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.12 2gqj s VAL 32 CO 0.39 -0.34 0.47 1.33 -0.31 0.00 0.00 175.10 176.64 2gqj n VAL 33 N 5.31 0.00 -1.03 1.32 0.24 -1.26 -4.75 118.33 118.16 2gqj n VAL 33 Ca -0.05 -0.60 -0.36 0.00 -2.04 0.00 0.00 64.34 61.29 2gqj n VAL 33 Cb 0.48 0.59 0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.32 0.04 -0.18 3.34 -1.04 -1.26 -4.75 114.28 110.11 2gqj n THR 34 Ca -0.05 -0.48 0.02 0.00 -2.04 0.00 0.00 64.05 61.50 2gqj n THR 34 Cb 0.36 -0.06 0.29 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.87 0.89 0.00 -2.82 3.08 -2.02 -1.97 114.38 110.66 2gqj h ARG 35 Ca -0.44 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.40 2gqj h ARG 35 Cb 1.32 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2gqj h ARG 35 CO 0.27 0.59 -0.95 0.87 -1.07 0.00 0.00 179.97 179.67 2gqj h LYS 36 N 0.91 0.00 -6.33 0.04 1.57 -2.00 -3.48 116.57 107.28 2gqj h LYS 36 Ca 0.26 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.57 2gqj h LYS 36 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2gqj h LYS 36 CO -0.06 0.56 -0.81 0.25 -0.57 0.00 0.00 179.45 178.82 2gqj n THR 37 N -3.15 -2.84 0.02 -0.16 -2.24 -0.74 -4.56 114.28 100.60 2gqj n THR 37 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2gqj n THR 37 Cb 0.84 -2.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.12 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 -4.47 0.28 -0.09 3.22 -0.00 -1.26 -4.57 117.00 110.11 2gqj n LEU 38 Ca -0.13 0.05 -0.16 0.00 -0.00 0.00 0.00 56.01 55.77 2gqj n LEU 38 Cb 0.60 -0.07 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 2gqj n LEU 38 CO 0.75 -0.25 -0.20 -0.37 -0.00 0.00 0.00 177.39 177.31 2gqj h VAL 39 N 0.00 1.01 -0.33 1.96 -1.51 -1.99 -3.38 116.25 112.01 2gqj h VAL 39 Ca 0.00 -2.02 -0.11 0.00 -1.23 0.00 0.00 66.70 63.34 2gqj h VAL 39 Cb 0.65 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.98 2gqj h VAL 39 CO 0.00 0.34 -0.24 1.23 -1.23 0.00 0.00 177.57 177.67 2gqj h GLY 40 N -1.00 0.71 -0.41 5.19 0.00 -1.96 -2.86 103.07 102.74 2gqj h GLY 40 Ca -0.19 -0.60 0.34 0.00 0.00 0.00 0.00 47.33 46.88 2gqj h GLY 40 CO -0.11 0.55 0.87 -2.00 0.00 0.00 0.00 176.54 175.85 2gqj h LEU 41 N 0.57 0.00 0.00 3.11 5.85 -1.81 1.09 115.31 124.13 2gqj h LEU 41 Ca 0.08 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 2gqj h LEU 41 Cb 0.72 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2gqj h LEU 41 CO 0.06 0.00 -0.76 0.11 -0.34 0.00 0.00 178.44 177.50 2gqj h LYS 42 N 0.00 0.01 0.00 1.25 1.57 -1.69 -2.73 116.57 114.98 2gqj h LYS 42 Ca 0.56 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2gqj h LYS 42 Cb 2.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.61 2gqj h LYS 42 CO -0.01 1.01 0.00 1.63 -0.57 0.00 0.00 179.45 181.51 2gqj n LYS 43 N -4.49 0.13 -0.04 3.15 4.01 -0.24 -2.01 118.16 118.67 2gqj n LYS 43 Ca -0.23 0.41 -0.20 0.00 -0.51 0.00 0.00 58.31 57.77 2gqj n LYS 43 Cb 0.61 -1.77 -0.13 0.00 -0.51 0.00 0.00 35.03 33.23 2gqj n LYS 43 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2gqj n HIS 44 N -2.01 0.87 0.02 2.13 -0.00 0.36 -4.27 115.22 112.31 2gqj n HIS 44 Ca 0.02 0.19 -0.04 0.00 -0.00 0.00 0.00 57.72 57.88 2gqj n HIS 44 Cb 0.18 -1.11 0.18 0.00 -0.00 0.00 0.00 29.99 29.24 2gqj n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gqj h MET 45 N 0.05 0.48 -0.94 1.57 -0.00 -1.24 0.17 114.93 115.01 2gqj h MET 45 Ca -0.47 -0.20 0.27 0.00 -0.00 0.00 0.00 59.70 59.30 2gqj h MET 45 Cb 2.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 31.60 33.44 2gqj h MET 45 CO 0.03 0.73 0.42 1.05 -0.00 0.00 0.00 176.91 179.15 2gqj h GLU 46 N 0.41 0.31 0.00 -0.10 4.11 -1.59 -1.69 114.58 116.04 2gqj h GLU 46 Ca 0.05 -0.02 -0.25 0.00 0.07 0.00 0.00 59.36 59.21 2gqj h GLU 46 Cb 0.74 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2gqj h GLU 46 CO 0.06 0.20 -2.17 1.33 0.07 0.00 0.00 179.01 178.50 2gqj n VAL 47 N -5.10 0.95 -0.37 -1.06 0.24 -1.15 -4.52 118.33 107.32 2gqj n VAL 47 Ca 0.26 -0.70 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 2gqj n VAL 47 Cb 0.80 -0.37 0.10 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.00 0.89 -0.73 0.00 4.20 -1.76 -0.82 115.11 116.90 2gqj h GLN 49 Ca 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 2gqj h GLN 49 Cb 0.68 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2gqj h GLN 49 CO -1.01 0.59 0.37 -0.22 -0.67 0.00 0.00 178.83 177.88 2gqj h LYS 50 N 0.91 1.02 0.08 1.46 3.64 0.58 -2.85 116.57 121.42 2gqj h LYS 50 Ca 0.42 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2gqj h LYS 50 Cb 0.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2gqj h LYS 50 CO -0.23 0.77 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.62 2gqj h LEU 51 N 1.02 -0.09 -1.02 5.20 -0.00 0.01 -3.23 115.31 117.20 2gqj h LEU 51 Ca 0.25 0.00 0.36 0.00 -0.00 0.00 0.00 57.88 58.49 2gqj h LEU 51 Cb 0.07 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 40.65 2gqj h LEU 51 CO -0.04 -0.03 0.65 0.00 -0.00 0.00 0.00 178.44 179.03 2gqj n GLN 52 N -2.50 -0.03 -0.10 1.13 10.64 -0.45 0.15 117.38 126.22 2gqj n GLN 52 Ca -0.01 0.94 -0.06 0.00 -1.83 0.00 0.00 57.00 56.04 2gqj n GLN 52 Cb 0.04 -1.84 0.00 0.00 -0.86 0.00 0.00 30.24 27.58 2gqj n GLN 52 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2gqj h ASP 53 N 0.00 -0.39 -0.50 2.61 3.32 -1.51 0.13 116.42 120.08 2gqj h ASP 53 Ca 0.66 0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.90 2gqj h ASP 53 Cb 2.10 0.24 -0.07 0.00 0.22 0.00 0.00 39.33 41.83 2gqj h ASP 53 CO -0.36 -0.14 0.10 0.00 -1.72 0.00 0.00 179.24 177.12 2gqj h ALA 54 N 1.28 0.56 -0.53 3.45 0.00 0.12 -1.38 119.26 122.77 2gqj h ALA 54 Ca 0.17 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2gqj h ALA 54 Cb 0.29 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2gqj h ALA 54 CO -0.37 -0.31 0.03 -0.07 0.00 0.00 0.00 179.25 178.54 2gqj h LEU 55 N 0.24 0.84 -9.23 0.00 -0.00 -1.35 -3.42 115.31 102.39 2gqj h LEU 55 Ca 0.25 -0.20 -0.57 0.00 -0.00 0.00 0.00 57.88 57.37 2gqj h LEU 55 Cb 0.34 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2gqj h LEU 55 CO -0.33 0.88 1.27 1.17 -0.00 0.00 0.00 178.44 181.43 2gqj n LYS 56 N -4.22 2.46 -0.45 1.13 4.81 0.38 -4.19 118.16 118.09 2gqj n LYS 56 Ca 0.03 0.86 -0.30 0.00 -0.87 0.00 0.00 58.31 58.03 2gqj n LYS 56 Cb 0.29 -2.96 0.28 0.00 0.02 0.00 0.00 35.03 32.66 2gqj n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gqj n GLN 58 N -5.40 0.07 -0.28 0.00 -0.06 -1.26 -3.64 117.38 106.81 2gqj n GLN 58 Ca 0.09 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 2gqj n GLN 58 Cb 0.58 -0.61 0.13 0.00 -4.06 0.00 0.00 30.24 26.28 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2gqj h HIS 59 N -0.12 0.86 0.00 3.69 3.86 -2.00 -2.77 115.15 118.67 2gqj h HIS 59 Ca -0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2gqj h HIS 59 Cb 0.74 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2gqj h HIS 59 CO -0.02 0.41 -1.10 0.00 0.86 0.00 0.00 177.93 178.08 2gqj n ARG 61 N -1.61 -2.72 -5.18 0.00 1.74 -1.05 -4.97 116.66 102.87 2gqj n ARG 61 Ca 0.01 0.43 -0.31 0.00 -0.77 0.00 0.00 57.85 57.21 2gqj n ARG 61 Cb 0.32 -4.41 -0.17 0.00 -1.02 0.00 0.00 32.46 27.18 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 -6.33 2.77 0.46 5.56 2.20 -1.26 -4.85 119.74 118.29 2gqj s LYS 62 Ca 0.17 -0.85 -0.23 0.00 -0.36 0.00 0.00 55.97 54.70 2gqj s LYS 62 Cb -0.06 -2.18 -0.07 0.00 -1.51 0.00 0.00 37.83 34.01 2gqj s LYS 62 CO 0.87 0.24 1.18 -1.14 -0.36 0.00 0.00 175.35 176.14 2gqj s GLN 63 N 0.19 3.73 -0.09 4.03 2.00 -1.26 -1.56 119.66 126.70 2gqj s GLN 63 Ca -0.13 1.80 -0.00 0.00 -2.00 0.00 0.00 55.36 55.03 2gqj s GLN 63 Cb -0.16 -2.40 0.02 0.00 0.80 0.00 0.00 33.01 31.27 2gqj s GLN 63 CO 0.07 -0.58 -0.05 -0.06 -0.50 0.00 0.00 175.29 174.16 2gqj s PHE 64 N -1.53 1.14 -0.29 1.67 0.08 -1.26 -4.94 117.98 112.85 2gqj s PHE 64 Ca 0.64 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 2gqj s PHE 64 Cb -0.29 -1.01 0.21 0.00 -0.57 0.00 0.00 43.02 41.36 2gqj s PHE 64 CO 0.35 -0.39 1.98 1.63 -0.10 0.00 0.00 175.22 178.69 2gqj n LYS 65 N 4.75 1.74 -3.39 0.44 4.01 -1.26 -4.74 118.16 119.70 2gqj n LYS 65 Ca -0.14 -1.45 0.02 0.00 -0.51 0.00 0.00 58.31 56.23 2gqj n LYS 65 Cb 0.50 -1.57 -0.05 0.00 -0.51 0.00 0.00 35.03 33.41 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 0.28 -0.30 0.13 4.39 1.04 -1.26 -5.03 113.70 112.96 2gqj s SER 66 Ca 0.29 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.98 2gqj s SER 66 Cb 0.23 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.62 2gqj s SER 66 CO -0.00 -0.06 1.72 0.50 0.98 0.00 0.00 173.24 176.37 2gqj h LYS 67 N 6.79 0.53 -0.72 4.02 1.63 -1.99 -2.28 116.57 124.56 2gqj h LYS 67 Ca -0.18 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.50 2gqj h LYS 67 Cb 1.14 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 2gqj h LYS 67 CO 0.11 0.47 0.26 0.00 -3.45 0.00 0.00 179.45 176.84 2gqj h ALA 68 N 1.04 1.09 -0.73 5.00 0.00 -1.99 -2.73 119.26 120.94 2gqj h ALA 68 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gqj h ALA 68 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2gqj h ALA 68 CO -0.02 0.63 0.35 0.78 0.00 0.00 0.00 179.25 181.00 2gqj h GLY 69 N 1.10 1.10 0.86 0.00 0.00 -1.90 -3.06 103.07 101.17 2gqj h GLY 69 Ca 0.24 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2gqj h GLY 69 CO -0.01 0.50 -0.19 -2.00 0.00 0.00 0.00 176.54 174.84 2gqj h LEU 70 N 1.03 -0.45 -0.84 3.11 5.85 -1.12 -2.55 115.31 120.34 2gqj h LEU 70 Ca 0.25 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.03 2gqj h LEU 70 Cb 0.10 0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.11 2gqj h LEU 70 CO -0.03 -0.21 -0.42 0.78 -0.34 0.00 0.00 178.44 178.22 2gqj h ASN 71 N -0.68 -1.50 0.00 1.25 2.35 -1.42 -0.54 115.58 115.04 2gqj h ASN 71 Ca -0.05 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2gqj h ASN 71 Cb 0.49 0.74 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2gqj h ASN 71 CO 0.09 -0.29 0.00 0.00 -1.65 0.00 0.00 177.43 175.57 2gqj n TYR 72 N -5.42 0.00 -0.27 1.19 4.19 -1.17 -2.27 117.16 113.41 2gqj n TYR 72 Ca 0.06 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.25 2gqj n TYR 72 Cb 0.36 -0.45 0.01 0.00 0.49 0.00 0.00 39.34 39.75 2gqj n TYR 72 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2gqj n HIS 73 N -2.06 -0.04 -0.11 2.98 -0.00 -0.97 0.43 115.22 115.46 2gqj n HIS 73 Ca 0.00 0.86 -0.11 0.00 0.46 0.00 0.00 57.72 58.93 2gqj n HIS 73 Cb 0.00 -0.72 -0.06 0.00 -0.12 0.00 0.00 29.99 29.09 2gqj n HIS 73 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2gqj h THR 74 N 0.00 0.10 0.00 3.57 2.02 -0.99 0.48 112.91 118.09 2gqj h THR 74 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2gqj h THR 74 Cb 0.39 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2gqj h THR 74 CO -0.68 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.16 2gqj h MET 75 N -0.36 0.00 0.23 6.66 -0.00 0.42 0.15 114.93 122.03 2gqj h MET 75 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.81 2gqj h MET 75 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2gqj h MET 75 CO -0.55 0.05 -0.11 0.00 -0.00 0.00 0.00 176.91 176.30 2gqj h ALA 76 N 1.95 -0.35 0.00 -3.00 0.00 0.24 -3.38 119.26 114.72 2gqj h ALA 76 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gqj h ALA 76 Cb 0.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2gqj h ALA 76 CO 0.01 -0.33 -0.03 0.93 0.00 0.00 0.00 179.25 179.83 2gqj h GLU 77 N -0.91 0.00 -5.69 0.00 4.39 -0.39 -3.41 114.58 108.57 2gqj h GLU 77 Ca -0.03 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.98 2gqj h GLU 77 Cb 0.23 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 2gqj h GLU 77 CO 0.05 0.00 2.07 -1.01 -1.16 0.00 0.00 179.01 178.97 2gqj s HIS 78 N -1.10 2.89 -0.89 4.33 3.76 0.53 -4.86 115.29 119.95 2gqj s HIS 78 Ca -0.01 -1.70 -0.00 0.00 -0.15 0.00 0.00 55.06 53.19 2gqj s HIS 78 Cb 0.00 -4.69 0.26 0.00 1.11 0.00 0.00 32.58 29.26 2gqj s HIS 78 CO 0.01 -1.75 0.99 0.45 -0.85 0.00 0.00 174.74 173.60 2gqj n SER 79 N 7.98 4.79 -3.40 1.40 2.88 -1.18 -4.00 113.62 122.09 2gqj n SER 79 Ca 0.47 -3.30 -0.23 0.00 -1.33 0.00 0.00 58.87 54.47 2gqj n SER 79 Cb 0.46 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 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 1.60 -0.96 -2.33 -1.46 0.00 -1.26 -4.84 120.51 111.26 2gqj n ALA 80 Ca 0.25 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 2gqj n ALA 80 Cb 0.37 -1.52 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 2gqj n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gqj s LYS 81 N -5.54 4.48 1.02 0.00 1.02 -1.26 -5.07 119.74 114.39 2gqj s LYS 81 Ca 0.45 1.04 -0.17 0.00 0.02 0.00 0.00 55.97 57.31 2gqj s LYS 81 Cb -0.27 -3.34 0.25 0.00 -0.52 0.00 0.00 37.83 33.96 2gqj s LYS 81 CO 0.56 0.35 0.90 -0.35 -0.92 0.00 0.00 175.35 175.90 2gqj n PRO 82 N 2.55 -2.78 -4.00 -1.68 -0.04 -1.26 -5.10 135.00 122.68 2gqj n PRO 82 Ca -0.04 -1.45 -0.11 0.00 -0.04 0.00 0.00 63.50 61.87 2gqj n PRO 82 Cb 0.50 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.94 0.19 -1.45 3.54 0.01 -1.26 -4.94 113.70 105.85 2gqj s SER 83 Ca 0.59 -1.11 -0.10 0.00 1.31 0.00 0.00 55.95 56.64 2gqj s SER 83 Cb -0.06 0.64 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2gqj s SER 83 CO 0.45 -1.25 0.97 -0.67 0.41 0.00 0.00 173.24 173.15 2gqj n ASP 84 N -0.78 -4.35 -4.82 2.44 -0.08 -1.26 -4.95 116.55 102.76 2gqj n ASP 84 Ca -0.02 -0.74 -0.35 0.00 -1.51 0.00 0.00 54.79 52.18 2gqj n ASP 84 Cb 0.62 -4.16 -0.06 0.00 2.34 0.00 0.00 41.12 39.86 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gqj s ALA 85 N -3.37 3.25 0.12 -1.67 0.00 -1.26 -5.08 121.76 113.75 2gqj s ALA 85 Ca 0.51 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.82 2gqj s ALA 85 Cb -0.25 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2gqj s ALA 85 CO 0.81 0.24 -0.03 -1.21 0.00 0.00 0.00 175.76 175.57 2gqj s GLU 86 N -2.52 2.38 -0.15 0.00 0.41 -1.26 -5.06 118.70 112.50 2gqj s GLU 86 Ca 0.52 -0.99 -0.14 0.00 -0.41 0.00 0.00 54.97 53.96 2gqj s GLU 86 Cb -0.14 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 2gqj s GLU 86 CO 0.19 0.50 -0.27 0.00 -0.49 0.00 0.00 175.26 175.19 2gqj n ALA 87 N 0.35 0.67 -2.81 5.21 0.00 -1.26 -5.01 120.51 117.66 2gqj n ALA 87 Ca -0.11 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.44 2gqj n ALA 87 Cb 0.53 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 2gqj n ALA 87 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gqj s SER 88 N -5.58 1.69 0.39 0.00 1.04 -1.26 -5.14 113.70 104.85 2gqj s SER 88 Ca -0.22 -0.27 -0.23 0.00 0.48 0.00 0.00 55.95 55.71 2gqj s SER 88 Cb 0.03 -0.35 -0.10 0.00 0.10 0.00 0.00 66.02 65.69 2gqj s SER 88 CO 0.33 0.14 0.96 -1.83 0.98 0.00 0.00 173.24 173.82 2gqj s GLU 89 N -0.06 4.32 0.00 4.02 1.03 -1.26 -5.05 118.70 121.69 2gqj s GLU 89 Ca 0.00 1.25 0.00 0.00 0.03 0.00 0.00 54.97 56.25 2gqj s GLU 89 Cb -0.08 -2.42 0.00 0.00 -0.80 0.00 0.00 34.13 30.82 2gqj s GLU 89 CO 0.01 0.04 0.00 0.41 -1.33 0.00 0.00 175.26 174.38 2gqj n GLY 90 N -0.10 0.91 0.00 -3.83 0.00 -1.26 -5.15 105.19 95.76 2gqj n GLY 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 5.00 2.03 3.90 -0.02 0.00 -1.26 -5.07 105.19 109.78 2gqj n GLY 91 Ca 0.00 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 2gqj n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqj s GLU 92 N -5.01 3.64 -0.17 1.61 -1.05 -1.26 -5.04 118.70 111.43 2gqj s GLU 92 Ca 0.00 0.12 -0.13 0.00 -0.15 0.00 0.00 54.97 54.81 2gqj s GLU 92 Cb 0.00 -2.55 -0.07 0.00 -0.44 0.00 0.00 34.13 31.07 2gqj s GLU 92 CO 0.00 0.09 -0.28 0.45 0.95 0.00 0.00 175.26 176.47 2gqj n SER 93 N -1.30 1.66 0.00 0.83 2.88 -1.26 -5.13 113.62 111.30 2gqj n SER 93 Ca -0.01 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2gqj n SER 93 Cb 0.54 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2gqj n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gqj n GLY 94 N 1.76 1.92 3.64 0.46 0.00 -1.26 -5.11 105.19 106.60 2gqj n GLY 94 Ca -0.27 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 2gqj n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 95 N -3.35 -0.36 0.58 1.61 0.04 -1.26 -4.99 135.00 127.27 2gqj s PRO 95 Ca 0.00 0.24 -0.20 0.00 0.04 0.00 0.00 61.00 61.08 2gqj s PRO 95 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2gqj s PRO 95 CO 0.00 -3.20 1.25 -1.54 0.04 0.00 0.00 177.00 173.55 2gqj s SER 96 N -3.65 5.17 0.06 6.66 1.04 -1.26 -5.04 113.70 116.67 2gqj s SER 96 Ca 0.68 2.51 0.04 0.00 0.48 0.00 0.00 55.95 59.66 2gqj s SER 96 Cb -0.15 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2gqj s SER 96 CO 0.57 -1.62 -0.11 -0.44 0.98 0.00 0.00 173.24 172.62 2gqj s SER 97 N -1.40 1.33 0.00 7.02 0.01 -1.26 -5.33 113.70 114.07 2gqj s SER 97 Ca 0.76 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2gqj s SER 97 Cb -0.34 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2gqj s SER 97 CO 0.37 -0.11 0.42 0.61 0.41 0.00 0.00 173.24 174.94