#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx s GLN 2 N 0.00 3.57 -0.50 0.03 -1.52 -1.26 -5.07 119.66 114.92 2gcx s GLN 2 Ca 0.00 -0.35 -0.25 0.00 -1.95 0.00 0.00 55.36 52.81 2gcx s GLN 2 Cb 0.00 -3.05 0.03 0.00 -0.22 0.00 0.00 33.01 29.77 2gcx s GLN 2 CO 0.00 0.47 0.92 -0.06 -0.25 0.00 0.00 175.29 176.37 2gcx s PHE 3 N -0.21 2.87 0.18 0.91 0.40 -1.26 -5.03 117.98 115.84 2gcx s PHE 3 Ca 0.07 0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.68 2gcx s PHE 3 Cb -0.12 -3.99 -0.04 0.00 0.51 0.00 0.00 43.02 39.38 2gcx s PHE 3 CO 0.02 -1.20 -0.09 0.95 0.70 0.00 0.00 175.22 175.60 2gcx s THR 4 N 3.80 3.22 -0.94 0.64 -4.23 -1.26 -4.64 115.64 112.23 2gcx s THR 4 Ca 0.34 -1.63 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 2gcx s THR 4 Cb -0.11 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2gcx s THR 4 CO 0.23 -0.10 1.83 -2.16 -0.54 0.00 0.00 174.62 173.88 2gcx s PRO 5 N -2.80 2.81 0.00 3.99 0.04 -1.26 -3.45 135.00 134.33 2gcx s PRO 5 Ca 0.25 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2gcx s PRO 5 Cb -0.09 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2gcx s PRO 5 CO 0.15 -3.10 0.00 -0.40 0.04 0.00 0.00 177.00 173.69 2gcx n ASP 6 N 12.72 0.00 -4.89 6.66 5.68 -1.26 -5.05 116.55 130.41 2gcx n ASP 6 Ca 0.39 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.47 2gcx n ASP 6 Cb 0.48 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2gcx s SER 7 N 0.00 5.10 0.40 -1.12 0.01 -1.22 -5.02 113.70 111.85 2gcx s SER 7 Ca 0.00 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.61 2gcx s SER 7 Cb 0.00 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2gcx s SER 7 CO 0.00 -0.68 0.23 0.00 0.41 0.00 0.00 173.24 173.21 2gcx s ALA 8 N -2.47 3.71 0.14 1.44 0.00 -1.26 -3.75 121.76 119.57 2gcx s ALA 8 Ca 0.49 -2.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 2gcx s ALA 8 Cb -0.04 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2gcx s ALA 8 CO 0.28 -0.16 0.35 -1.58 0.00 0.00 0.00 175.76 174.65 2gcx s TRP 9 N -2.54 0.03 -0.10 0.00 0.52 -0.85 -3.95 118.94 112.05 2gcx s TRP 9 Ca 0.43 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.14 2gcx s TRP 9 Cb 0.01 0.14 -0.03 0.00 -1.15 0.00 0.00 33.47 32.44 2gcx s TRP 9 CO 0.24 -0.71 -0.01 -1.59 0.02 0.00 0.00 176.95 174.90 2gcx s LYS 10 N -3.87 3.11 -0.10 4.98 -2.85 0.14 -1.40 119.74 119.75 2gcx s LYS 10 Ca 0.08 -0.44 -0.27 0.00 -1.00 0.00 0.00 55.97 54.34 2gcx s LYS 10 Cb 0.02 -2.80 -0.02 0.00 -2.06 0.00 0.00 37.83 32.97 2gcx s LYS 10 CO -0.07 0.60 0.87 0.42 0.10 0.00 0.00 175.35 177.27 2gcx s ILE 11 N -0.61 4.90 -0.39 3.79 1.01 -0.20 -2.07 121.20 127.62 2gcx s ILE 11 Ca 0.10 1.76 0.12 0.00 0.00 0.00 0.00 60.65 62.63 2gcx s ILE 11 Cb -0.12 -4.19 0.38 0.00 0.01 0.00 0.00 42.46 38.55 2gcx s ILE 11 CO 0.02 0.10 0.84 0.41 0.00 0.00 0.00 174.94 176.31 2gcx n THR 12 N 4.32 0.75 -1.52 2.92 -1.04 0.41 0.17 114.28 120.29 2gcx n THR 12 Ca 0.04 -4.34 -0.31 0.00 -2.04 0.00 0.00 64.05 57.40 2gcx n THR 12 Cb 0.50 -0.24 -0.13 0.00 -1.82 0.00 0.00 70.33 68.64 2gcx n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gcx n GLY 13 N 0.07 -0.29 2.75 3.41 0.00 -1.25 -1.64 105.19 108.23 2gcx n GLY 13 Ca 0.23 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.71 2gcx n GLY 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gcx s PHE 14 N 8.45 -0.39 0.25 1.61 2.19 -1.26 -4.80 117.98 124.02 2gcx s PHE 14 Ca 1.20 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 58.11 2gcx s PHE 14 Cb -0.75 -0.46 0.02 0.00 -1.31 0.00 0.00 43.02 40.52 2gcx s PHE 14 CO 0.40 -0.93 0.21 0.43 1.83 0.00 0.00 175.22 177.15 2gcx n SER 15 N 5.01 1.67 0.15 6.13 7.64 -1.25 -4.44 113.62 128.53 2gcx n SER 15 Ca 0.02 -1.83 0.02 0.00 1.01 0.00 0.00 58.87 58.09 2gcx n SER 15 Cb 0.46 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.80 2gcx n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2gcx h ARG 16 N 0.00 0.00 0.00 1.43 -0.00 -2.00 -3.39 114.38 110.42 2gcx h ARG 16 Ca -0.15 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.20 2gcx h ARG 16 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.43 2gcx h ARG 16 CO 0.24 0.54 -0.18 -3.47 0.00 0.00 0.00 179.97 177.09 2gcx n ASP 17 N -3.51 -1.19 -4.35 7.04 2.03 -1.26 -5.11 116.55 110.21 2gcx n ASP 17 Ca 0.00 -1.94 -0.55 0.00 0.52 0.00 0.00 54.79 52.82 2gcx n ASP 17 Cb 0.63 0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 41.56 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gcx n ILE 18 N -0.97 0.10 -1.12 5.18 3.06 -1.26 -4.87 119.36 119.48 2gcx n ILE 18 Ca -0.12 -0.14 -0.34 0.00 -2.50 0.00 0.00 62.75 59.65 2gcx n ILE 18 Cb 0.77 -1.09 0.13 0.00 0.54 0.00 0.00 39.64 39.98 2gcx n ILE 18 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2gcx n SER 19 N 8.76 0.97 0.22 9.51 3.41 -1.26 -4.75 113.62 130.48 2gcx n SER 19 Ca 0.48 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.75 2gcx n SER 19 Cb 0.10 -1.50 0.58 0.00 -0.26 0.00 0.00 64.21 63.13 2gcx n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2gcx h PRO 20 N -0.88 0.06 -0.70 4.33 0.13 -1.97 -1.92 132.00 131.05 2gcx h PRO 20 Ca -0.46 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 2gcx h PRO 20 Cb 1.30 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 2gcx h PRO 20 CO 0.46 0.09 0.14 0.00 -0.23 0.00 0.00 178.00 178.47 2gcx h ALA 21 N 1.92 0.87 0.10 -0.56 0.00 -1.99 1.28 119.26 120.87 2gcx h ALA 21 Ca 0.02 0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 2gcx h ALA 21 Cb 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2gcx h ALA 21 CO 0.00 -0.34 -1.61 1.88 0.00 0.00 0.00 179.25 179.18 2gcx h TYR 22 N 0.25 0.37 0.41 0.00 0.05 -1.85 -3.35 116.97 112.85 2gcx h TYR 22 Ca 0.39 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2gcx h TYR 22 Cb 0.64 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2gcx h TYR 22 CO -0.28 1.37 -0.20 -0.09 -1.05 0.00 0.00 178.16 177.92 2gcx h ARG 23 N 0.06 -0.54 -1.37 4.88 9.65 -0.60 -3.26 114.38 123.21 2gcx h ARG 23 Ca -0.27 0.04 0.43 0.00 -1.10 0.00 0.00 59.98 59.08 2gcx h ARG 23 Cb 2.01 0.12 -0.12 0.00 -1.39 0.00 0.00 29.97 30.60 2gcx h ARG 23 CO 0.14 -0.36 0.90 1.96 2.80 0.00 0.00 179.97 185.41 2gcx h GLN 24 N -1.05 0.09 -0.10 0.20 4.20 0.14 0.31 115.11 118.91 2gcx h GLN 24 Ca -0.06 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2gcx h GLN 24 Cb 0.43 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2gcx h GLN 24 CO 0.09 0.06 0.04 0.87 -0.67 0.00 0.00 178.83 179.22 2gcx h LYS 25 N 0.09 0.09 0.18 1.46 1.57 -1.69 -2.35 116.57 115.91 2gcx h LYS 25 Ca 0.80 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.58 2gcx h LYS 25 Cb 2.61 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.88 2gcx h LYS 25 CO -0.34 0.06 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.32 2gcx h LEU 26 N 0.09 -0.56 -0.73 2.94 3.38 -0.44 -2.57 115.31 117.42 2gcx h LEU 26 Ca 0.04 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.23 2gcx h LEU 26 Cb 0.02 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 2gcx h LEU 26 CO -0.04 -0.30 0.14 -0.07 0.09 0.00 0.00 178.44 178.26 2gcx h LEU 27 N -0.43 -0.06 -0.28 1.67 3.38 -1.41 0.45 115.31 118.63 2gcx h LEU 27 Ca 0.01 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2gcx h LEU 27 Cb 0.41 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2gcx h LEU 27 CO -0.07 -0.07 -0.00 -1.28 0.09 0.00 0.00 178.44 177.11 2gcx h SER 28 N 0.23 -0.12 0.87 -0.43 0.87 -1.06 -1.39 113.55 112.53 2gcx h SER 28 Ca 0.41 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 2gcx h SER 28 Cb 0.70 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2gcx h SER 28 CO -0.53 -0.03 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.37 2gcx h LEU 29 N 0.08 0.00 0.00 2.23 3.38 -0.78 -3.47 115.31 116.76 2gcx h LEU 29 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2gcx h LEU 29 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2gcx h LEU 29 CO -0.23 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2gcx n GLY 30 N 0.18 0.89 3.39 0.83 0.00 0.14 -5.04 105.19 105.59 2gcx n GLY 30 Ca -0.00 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 2gcx n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gcx s MET 31 N -0.38 3.77 0.38 1.61 -1.94 -0.64 -4.97 119.30 117.13 2gcx s MET 31 Ca 0.00 -2.37 -0.01 0.00 -1.71 0.00 0.00 55.69 51.60 2gcx s MET 31 Cb 0.00 -4.70 -0.04 0.00 2.01 0.00 0.00 34.83 32.10 2gcx s MET 31 CO 0.00 -1.51 0.62 -0.51 -0.01 0.00 0.00 175.02 173.61 2gcx s LEU 32 N 0.97 3.91 0.12 -0.03 1.02 -1.26 -4.50 118.68 118.90 2gcx s LEU 32 Ca 0.28 0.60 -0.35 0.00 0.02 0.00 0.00 54.13 54.69 2gcx s LEU 32 Cb -0.07 -3.49 -0.17 0.00 0.02 0.00 0.00 46.19 42.48 2gcx s LEU 32 CO -0.08 -0.37 1.20 -2.65 0.02 0.00 0.00 176.35 174.48 2gcx n PRO 33 N -1.87 0.97 -0.26 1.29 -0.02 -1.26 -2.21 135.00 131.65 2gcx n PRO 33 Ca -0.03 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2gcx n PRO 33 Cb 0.56 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2gcx n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gcx n GLY 34 N 2.16 0.85 3.93 -1.23 0.00 0.45 -4.94 105.19 106.40 2gcx n GLY 34 Ca 0.17 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2gcx n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gcx s SER 35 N -2.19 3.95 -0.03 1.61 0.15 -0.77 -4.81 113.70 111.61 2gcx s SER 35 Ca 0.00 0.38 0.05 0.00 0.70 0.00 0.00 55.95 57.08 2gcx s SER 35 Cb 0.00 -0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2gcx s SER 35 CO 0.00 -2.20 -0.18 -0.94 1.20 0.00 0.00 173.24 171.12 2gcx s SER 36 N -4.72 2.16 0.08 5.45 1.04 -1.26 -1.04 113.70 115.41 2gcx s SER 36 Ca 0.67 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 2gcx s SER 36 Cb -0.07 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.66 2gcx s SER 36 CO 0.49 0.19 0.31 0.72 0.98 0.00 0.00 173.24 175.94 2gcx s PHE 37 N -0.22 -0.08 0.04 5.02 -0.71 -0.49 -4.73 117.98 116.81 2gcx s PHE 37 Ca 0.02 -0.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.77 2gcx s PHE 37 Cb -0.09 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2gcx s PHE 37 CO 0.01 -0.58 -0.01 -1.01 -1.34 0.00 0.00 175.22 172.29 2gcx s HIS 38 N -3.24 3.02 -0.08 3.49 3.76 -0.84 -2.02 115.29 119.39 2gcx s HIS 38 Ca -0.00 0.02 -0.25 0.00 -0.15 0.00 0.00 55.06 54.68 2gcx s HIS 38 Cb 0.01 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 2gcx s HIS 38 CO -0.08 0.46 0.78 0.08 -0.85 0.00 0.00 174.74 175.13 2gcx s VAL 39 N -1.17 4.98 -0.19 -0.90 1.01 -1.25 -1.75 120.40 121.13 2gcx s VAL 39 Ca 0.22 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.61 2gcx s VAL 39 Cb -0.12 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 31.94 2gcx s VAL 39 CO 0.13 0.18 0.25 0.58 0.00 0.00 0.00 175.10 176.25 2gcx h VAL 40 N 4.88 0.84 -1.58 2.92 2.07 -1.73 -3.41 116.25 120.25 2gcx h VAL 40 Ca -0.38 -2.22 0.10 0.00 0.82 0.00 0.00 66.70 65.02 2gcx h VAL 40 Cb 1.18 2.29 -0.26 0.00 -1.52 0.00 0.00 31.29 32.98 2gcx h VAL 40 CO 0.77 0.45 0.34 0.00 0.02 0.00 0.00 177.57 179.16 2gcx s ARG 41 N -2.41 0.41 0.04 1.57 1.70 -1.26 -4.85 118.95 114.15 2gcx s ARG 41 Ca -0.27 0.72 -0.03 0.00 -0.47 0.00 0.00 55.73 55.69 2gcx s ARG 41 Cb 0.06 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2gcx s ARG 41 CO 0.64 -0.09 0.02 0.08 -1.08 0.00 0.00 175.30 174.87 2gcx s VAL 42 N 1.40 0.17 0.00 4.99 1.01 -1.26 -3.92 120.40 122.79 2gcx s VAL 42 Ca -0.09 -1.38 0.05 0.00 0.00 0.00 0.00 61.98 60.56 2gcx s VAL 42 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2gcx s VAL 42 CO -0.15 -0.76 -0.16 0.00 0.00 0.00 0.00 175.10 174.02 2gcx s ALA 43 N -3.06 1.34 0.19 5.51 0.00 -1.26 -4.78 121.76 119.70 2gcx s ALA 43 Ca -0.01 -0.75 0.32 0.00 0.00 0.00 0.00 51.96 51.52 2gcx s ALA 43 Cb 0.02 -0.31 1.39 0.00 0.00 0.00 0.00 23.12 24.22 2gcx s ALA 43 CO -0.07 0.31 2.00 -1.00 0.00 0.00 0.00 175.76 177.01 2gcx h PRO 44 N 5.49 0.00 0.02 0.00 0.13 -2.00 -3.21 132.00 132.44 2gcx h PRO 44 Ca -0.37 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 2gcx h PRO 44 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2gcx h PRO 44 CO 0.47 0.05 -0.84 -0.07 -0.23 0.00 0.00 178.00 177.38 2gcx h LEU 45 N 0.00 0.06 0.00 1.56 3.38 -2.02 -3.50 115.31 114.79 2gcx h LEU 45 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2gcx h LEU 45 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2gcx h LEU 45 CO 0.01 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2gcx n GLY 46 N 1.55 1.97 3.47 0.83 0.00 -1.21 -5.15 105.19 106.65 2gcx n GLY 46 Ca -0.23 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2gcx n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gcx s ASP 47 N 0.00 0.10 -0.27 1.61 1.11 -1.26 -4.97 116.67 112.99 2gcx s ASP 47 Ca 0.00 -1.12 -0.25 0.00 0.18 0.00 0.00 52.55 51.35 2gcx s ASP 47 Cb 0.00 0.54 0.00 0.00 1.07 0.00 0.00 42.92 44.53 2gcx s ASP 47 CO 0.00 -1.08 0.86 -2.16 1.18 0.00 0.00 175.17 173.97 2gcx s PRO 48 N -3.94 4.11 0.28 8.23 0.05 -1.26 -3.85 135.00 138.62 2gcx s PRO 48 Ca 0.28 0.89 0.07 0.00 0.05 0.00 0.00 61.00 62.29 2gcx s PRO 48 Cb 0.01 -3.68 -0.03 0.00 0.05 0.00 0.00 34.50 30.85 2gcx s PRO 48 CO 0.11 -0.62 0.21 0.54 0.05 0.00 0.00 177.00 177.30 2gcx s VAL 49 N 3.00 4.03 0.08 -0.36 0.11 0.72 -4.85 120.40 123.13 2gcx s VAL 49 Ca 0.36 -1.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.05 2gcx s VAL 49 Cb -0.15 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.39 2gcx s VAL 49 CO 0.10 -0.29 -0.21 -1.00 -3.33 0.00 0.00 175.10 170.37 2gcx s HIS 50 N -2.21 1.78 -0.06 1.54 3.76 -1.26 0.85 115.29 119.70 2gcx s HIS 50 Ca 0.36 -0.40 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 2gcx s HIS 50 Cb -0.07 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 2gcx s HIS 50 CO 0.25 0.17 -0.17 0.96 -0.85 0.00 0.00 174.74 175.10 2gcx s ILE 51 N -1.05 2.82 -0.32 0.60 -4.36 0.24 -1.78 121.20 117.34 2gcx s ILE 51 Ca 0.07 -0.80 -0.08 0.00 -0.26 0.00 0.00 60.65 59.57 2gcx s ILE 51 Cb -0.10 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.54 2gcx s ILE 51 CO 0.03 0.58 0.13 -1.61 0.24 0.00 0.00 174.94 174.31 2gcx s GLU 52 N -0.51 2.98 0.28 0.37 0.41 -0.72 -1.37 118.70 120.14 2gcx s GLU 52 Ca 0.07 -0.95 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 2gcx s GLU 52 Cb -0.12 -3.51 -0.01 0.00 -1.78 0.00 0.00 34.13 28.72 2gcx s GLU 52 CO 0.01 -0.54 0.06 0.25 -0.49 0.00 0.00 175.26 174.55 2gcx n THR 53 N 4.91 0.00 -1.50 3.63 -2.24 -0.82 -1.98 114.28 116.27 2gcx n THR 53 Ca -0.13 -1.49 -0.31 0.00 -2.27 0.00 0.00 64.05 59.84 2gcx n THR 53 Cb 0.47 0.45 -0.18 0.00 -2.10 0.00 0.00 70.33 68.97 2gcx n THR 53 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2gcx n ARG 54 N -0.65 0.06 -4.07 -0.78 3.00 -1.26 -1.67 116.66 111.29 2gcx n ARG 54 Ca -0.07 -0.03 -0.35 0.00 -0.00 0.00 0.00 57.85 57.39 2gcx n ARG 54 Cb 0.39 -1.44 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 2gcx n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2gcx n ARG 55 N 7.19 -1.22 -3.19 -0.14 1.74 -1.26 -4.93 116.66 114.85 2gcx n ARG 55 Ca 0.65 0.20 0.05 0.00 -0.77 0.00 0.00 57.85 57.98 2gcx n ARG 55 Cb 0.12 -3.49 -0.03 0.00 -1.02 0.00 0.00 32.46 28.04 2gcx n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gcx s VAL 56 N -3.88 -0.21 -0.38 1.55 0.11 -0.67 -5.13 120.40 111.79 2gcx s VAL 56 Ca 0.24 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.15 2gcx s VAL 56 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2gcx s VAL 56 CO 0.95 0.00 0.27 -0.55 -3.33 0.00 0.00 175.10 172.43 2gcx s SER 57 N 2.71 6.04 0.06 3.54 0.15 -1.26 -1.95 113.70 122.99 2gcx s SER 57 Ca -0.04 -0.72 0.02 0.00 0.70 0.00 0.00 55.95 55.92 2gcx s SER 57 Cb -0.07 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2gcx s SER 57 CO -0.12 -0.36 0.07 -0.22 1.20 0.00 0.00 173.24 173.81 2gcx s LEU 58 N 1.68 3.77 -0.10 3.45 2.96 -0.47 -4.91 118.68 125.06 2gcx s LEU 58 Ca 0.05 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 2gcx s LEU 58 Cb -0.18 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2gcx s LEU 58 CO 0.10 0.20 0.16 0.54 -1.32 0.00 0.00 176.35 176.03 2gcx s VAL 59 N -1.31 5.47 0.14 1.68 0.11 -1.26 0.80 120.40 126.03 2gcx s VAL 59 Ca 0.27 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 2gcx s VAL 59 Cb -0.12 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2gcx s VAL 59 CO 0.19 0.58 0.08 -0.76 -3.33 0.00 0.00 175.10 171.86 2gcx s LEU 60 N -1.14 1.62 0.10 2.54 1.43 0.25 -4.94 118.68 118.54 2gcx s LEU 60 Ca 0.17 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 2gcx s LEU 60 Cb -0.12 0.36 -0.03 0.00 0.03 0.00 0.00 46.19 46.42 2gcx s LEU 60 CO 0.06 -0.76 -0.14 -0.13 0.23 0.00 0.00 176.35 175.62 2gcx s ARG 61 N -4.06 0.92 0.60 1.70 0.52 -1.26 -0.20 118.95 117.17 2gcx s ARG 61 Ca 0.26 -1.11 0.28 0.00 -0.52 0.00 0.00 55.73 54.64 2gcx s ARG 61 Cb 0.07 -0.83 1.39 0.00 0.52 0.00 0.00 34.95 36.10 2gcx s ARG 61 CO 0.03 0.17 1.80 -0.22 0.02 0.00 0.00 175.30 177.10 2gcx h LYS 62 N 3.84 0.00 0.00 3.54 1.63 -1.96 0.75 116.57 124.36 2gcx h LYS 62 Ca -0.40 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.21 2gcx h LYS 62 Cb 1.19 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 2gcx h LYS 62 CO 0.47 0.00 -0.97 1.57 -3.45 0.00 0.00 179.45 177.07 2gcx h LYS 63 N 0.00 0.00 0.07 1.90 2.10 -1.95 -3.18 116.57 115.51 2gcx h LYS 63 Ca 0.22 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.60 2gcx h LYS 63 Cb 1.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.68 2gcx h LYS 63 CO -0.00 0.81 -1.30 -0.44 -2.00 0.00 0.00 179.45 176.52 2gcx h ASP 64 N 0.00 0.23 1.10 7.07 3.32 0.03 -3.27 116.42 124.90 2gcx h ASP 64 Ca -0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 2gcx h ASP 64 Cb 1.70 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 2gcx h ASP 64 CO 0.11 1.23 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.75 2gcx h LEU 65 N 0.04 0.00 -0.35 1.55 4.07 -1.18 -3.18 115.31 116.26 2gcx h LEU 65 Ca -0.14 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.84 2gcx h LEU 65 Cb 1.92 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.64 2gcx h LEU 65 CO 0.16 0.04 0.17 0.00 -1.08 0.00 0.00 178.44 177.73 2gcx h ALA 66 N 1.96 0.43 0.53 1.53 0.00 -1.60 -3.14 119.26 118.97 2gcx h ALA 66 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 66 Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2gcx h ALA 66 CO 0.01 -0.20 -0.25 -0.07 0.00 0.00 0.00 179.25 178.73 2gcx h LEU 67 N 0.36 -0.60-10.13 0.00 3.38 -1.74 -3.44 115.31 103.14 2gcx h LEU 67 Ca 0.15 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.55 2gcx h LEU 67 Cb 0.06 0.16 0.11 0.00 0.09 0.00 0.00 40.66 41.07 2gcx h LEU 67 CO -0.10 -0.28 0.43 0.27 0.09 0.00 0.00 178.44 178.84 2gcx s ILE 68 N -5.14 2.85 -0.21 1.22 -4.36 -1.19 -3.91 121.20 110.48 2gcx s ILE 68 Ca -0.15 0.48 -0.10 0.00 -0.26 0.00 0.00 60.65 60.62 2gcx s ILE 68 Cb 0.02 -3.10 -0.05 0.00 1.25 0.00 0.00 42.46 40.58 2gcx s ILE 68 CO 0.54 -0.17 0.13 -0.70 0.24 0.00 0.00 174.94 174.98 2gcx s GLU 69 N -3.60 4.14 -0.06 0.37 2.12 -0.65 -4.79 118.70 116.22 2gcx s GLU 69 Ca 0.73 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.87 2gcx s GLU 69 Cb -0.26 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 2gcx s GLU 69 CO 0.36 0.25 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.59 2gcx s LEU 70 N 0.50 2.24 0.13 2.70 1.02 -1.26 0.15 118.68 124.17 2gcx s LEU 70 Ca 0.07 -0.44 0.05 0.00 0.02 0.00 0.00 54.13 53.84 2gcx s LEU 70 Cb -0.12 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 2gcx s LEU 70 CO -0.00 0.26 -0.12 -0.70 0.02 0.00 0.00 176.35 175.80 2gcx s GLU 71 N -0.26 1.03 0.22 1.70 2.12 -0.88 -4.94 118.70 117.69 2gcx s GLU 71 Ca -0.00 -1.31 -0.30 0.00 0.36 0.00 0.00 54.97 53.71 2gcx s GLU 71 Cb -0.13 -0.80 -0.10 0.00 0.26 0.00 0.00 34.13 33.36 2gcx s GLU 71 CO 0.03 0.14 1.48 0.00 -0.54 0.00 0.00 175.26 176.36 2gcx s ALA 72 N -2.55 3.67 1.14 6.30 0.00 -1.26 0.23 121.76 129.29 2gcx s ALA 72 Ca 0.11 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 2gcx s ALA 72 Cb -0.02 -3.58 0.27 0.00 0.00 0.00 0.00 23.12 19.79 2gcx s ALA 72 CO 0.02 -0.76 1.04 0.14 0.00 0.00 0.00 175.76 176.21 2gcx s VAL 73 N 0.36 2.01 -0.05 0.00 -7.23 -1.25 -4.73 120.40 109.51 2gcx s VAL 73 Ca 0.63 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.84 2gcx s VAL 73 Cb -0.42 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2gcx s VAL 73 CO 0.40 -0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.03 2gcx s ALA 74 N -2.45 1.41 -2.00 1.32 0.00 -1.26 -5.03 121.76 113.75 2gcx s ALA 74 Ca 0.68 -0.61 0.32 0.00 0.00 0.00 0.00 51.96 52.35 2gcx s ALA 74 Cb -0.25 -0.50 1.91 0.00 0.00 0.00 0.00 23.12 24.28 2gcx s ALA 74 CO 0.64 0.24 2.23 0.94 0.00 0.00 0.00 175.76 179.80