#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx n GLN 2 N 0.00 0.43 -4.96 3.17 10.64 -1.26 -5.16 117.38 120.24 2gcx n GLN 2 Ca 0.00 -1.10 -0.32 0.00 -1.83 0.00 0.00 57.00 53.74 2gcx n GLN 2 Cb 0.00 1.58 -0.16 0.00 -0.86 0.00 0.00 30.24 30.80 2gcx n GLN 2 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 2gcx s PHE 3 N -2.31 2.64 0.15 2.61 -0.71 -1.26 -5.13 117.98 113.98 2gcx s PHE 3 Ca 0.24 -1.07 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 2gcx s PHE 3 Cb -0.02 -1.77 -0.04 0.00 -1.21 0.00 0.00 43.02 39.98 2gcx s PHE 3 CO 0.03 -0.45 0.28 0.95 -1.34 0.00 0.00 175.22 174.69 2gcx s THR 4 N 0.51 5.31 -1.11 -4.49 -4.23 -1.26 -4.91 115.64 105.46 2gcx s THR 4 Ca -0.14 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 2gcx s THR 4 Cb -0.17 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 2gcx s THR 4 CO 0.05 -0.09 1.88 -2.16 -0.54 0.00 0.00 174.62 173.76 2gcx s PRO 5 N -3.23 2.77 0.00 3.99 0.04 -1.26 -3.24 135.00 134.07 2gcx s PRO 5 Ca 0.34 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.36 2gcx s PRO 5 Cb -0.11 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2gcx s PRO 5 CO 0.28 -3.49 0.00 -3.47 0.04 0.00 0.00 177.00 170.37 2gcx n ASP 6 N 13.17 0.00 -4.92 6.66 -0.08 -1.26 -4.95 116.55 125.17 2gcx n ASP 6 Ca 0.43 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.45 2gcx n ASP 6 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2gcx s SER 7 N 0.00 6.30 0.60 1.67 0.15 -1.20 -4.88 113.70 116.34 2gcx s SER 7 Ca 0.00 0.71 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 2gcx s SER 7 Cb 0.00 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2gcx s SER 7 CO 0.00 -0.42 0.86 0.00 1.20 0.00 0.00 173.24 174.89 2gcx s ALA 8 N -2.49 3.59 0.04 5.45 0.00 -1.26 -3.89 121.76 123.20 2gcx s ALA 8 Ca 0.44 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2gcx s ALA 8 Cb -0.10 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2gcx s ALA 8 CO 0.39 -0.92 0.36 -1.58 0.00 0.00 0.00 175.76 174.01 2gcx s TRP 9 N -2.93 -0.19 -0.14 0.00 0.52 -0.89 -4.35 118.94 110.96 2gcx s TRP 9 Ca 0.57 0.10 -0.14 0.00 0.02 0.00 0.00 56.10 56.65 2gcx s TRP 9 Cb -0.10 0.16 -0.05 0.00 -1.15 0.00 0.00 33.47 32.33 2gcx s TRP 9 CO 0.41 -0.54 0.33 0.15 0.02 0.00 0.00 176.95 177.32 2gcx s LYS 10 N -2.52 4.21 -0.13 4.98 -0.14 0.29 -1.91 119.74 124.52 2gcx s LYS 10 Ca -0.05 0.17 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 2gcx s LYS 10 Cb -0.01 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.72 2gcx s LYS 10 CO -0.03 0.29 0.88 0.42 -0.76 0.00 0.00 175.35 176.15 2gcx s ILE 11 N 0.30 4.87 -0.43 2.17 1.01 0.38 -1.24 121.20 128.25 2gcx s ILE 11 Ca 0.19 1.76 0.10 0.00 0.00 0.00 0.00 60.65 62.70 2gcx s ILE 11 Cb -0.14 -4.19 0.36 0.00 0.01 0.00 0.00 42.46 38.50 2gcx s ILE 11 CO 0.06 0.05 0.83 0.35 0.00 0.00 0.00 174.94 176.23 2gcx n THR 12 N 4.51 1.02 -1.55 2.92 -2.24 -0.50 0.16 114.28 118.60 2gcx n THR 12 Ca 0.05 -4.79 -0.16 0.00 -2.27 0.00 0.00 64.05 56.88 2gcx n THR 12 Cb 0.49 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 2gcx n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gcx n GLY 13 N 0.06 -0.15 2.71 3.38 0.00 -1.24 -1.52 105.19 108.43 2gcx n GLY 13 Ca 0.26 0.34 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 13.45 -0.19 0.16 1.61 5.36 -1.26 -4.70 117.98 132.42 2gcx s PHE 14 Ca 0.97 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 2gcx s PHE 14 Cb -0.20 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.98 2gcx s PHE 14 CO 0.14 -0.92 0.23 0.43 -1.46 0.00 0.00 175.22 173.64 2gcx n SER 15 N 4.71 0.50 0.09 6.13 7.64 -1.25 -4.39 113.62 127.05 2gcx n SER 15 Ca 0.05 -1.38 0.03 0.00 1.01 0.00 0.00 58.87 58.58 2gcx n SER 15 Cb 0.44 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.02 1.43 -0.00 -1.98 -3.40 114.38 110.41 2gcx h ARG 16 Ca -0.08 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.24 2gcx h ARG 16 Cb 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.13 2gcx h ARG 16 CO 0.10 0.31 -0.34 -0.40 0.00 0.00 0.00 179.97 179.64 2gcx n ASP 17 N -3.00 -1.15 -4.59 7.04 5.75 -1.26 -5.13 116.55 114.22 2gcx n ASP 17 Ca -0.03 -2.15 -0.55 0.00 -0.01 0.00 0.00 54.79 52.05 2gcx n ASP 17 Cb 0.74 0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 41.28 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gcx n ILE 18 N -1.11 0.04 -2.01 2.12 3.06 -1.26 -4.93 119.36 115.27 2gcx n ILE 18 Ca -0.18 -0.01 -0.32 0.00 -2.50 0.00 0.00 62.75 59.74 2gcx n ILE 18 Cb 0.84 -0.69 0.00 0.00 0.54 0.00 0.00 39.64 40.33 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2gcx s SER 19 N 0.89 6.07 0.39 9.51 0.01 -1.26 -4.94 113.70 124.37 2gcx s SER 19 Ca 0.88 1.60 0.19 0.00 1.31 0.00 0.00 55.95 59.93 2gcx s SER 19 Cb -1.06 -2.50 0.79 0.00 0.21 0.00 0.00 66.02 63.46 2gcx s SER 19 CO 0.53 -0.97 1.79 1.55 0.41 0.00 0.00 173.24 176.55 2gcx h PRO 20 N 0.16 0.00 -0.62 12.44 0.13 -1.96 -2.40 132.00 139.75 2gcx h PRO 20 Ca -0.45 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 2gcx h PRO 20 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2gcx h PRO 20 CO 0.60 0.35 0.09 0.00 -0.23 0.00 0.00 178.00 178.81 2gcx h ALA 21 N 1.65 0.71 0.15 -0.56 0.00 -1.98 1.32 119.26 120.55 2gcx h ALA 21 Ca -0.00 0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 2gcx h ALA 21 Cb 0.78 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2gcx h ALA 21 CO 0.04 -0.34 -1.74 1.88 0.00 0.00 0.00 179.25 179.10 2gcx h TYR 22 N 0.21 0.58 0.55 0.00 0.05 -1.96 -3.35 116.97 113.05 2gcx h TYR 22 Ca 0.33 -0.42 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 2gcx h TYR 22 Cb 0.52 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2gcx h TYR 22 CO -0.28 1.59 -0.26 -0.09 -1.05 0.00 0.00 178.16 178.06 2gcx h ARG 23 N 0.09 -0.71 -1.49 4.88 9.65 -1.01 -3.06 114.38 122.73 2gcx h ARG 23 Ca -0.33 0.05 0.43 0.00 -1.10 0.00 0.00 59.98 59.03 2gcx h ARG 23 Cb 2.06 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 30.74 2gcx h ARG 23 CO 0.15 -0.41 1.07 0.37 2.80 0.00 0.00 179.97 183.95 2gcx h GLN 24 N -1.08 0.02 -0.32 0.20 5.75 0.15 0.71 115.11 120.54 2gcx h GLN 24 Ca -0.07 -0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.27 2gcx h GLN 24 Cb 0.62 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2gcx h GLN 24 CO 0.12 0.01 -0.41 0.87 -2.65 0.00 0.00 178.83 176.78 2gcx h LYS 25 N 0.02 0.84 0.03 1.69 1.79 -1.67 -2.22 116.57 117.05 2gcx h LYS 25 Ca 0.72 -0.47 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2gcx h LYS 25 Cb 2.84 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.52 2gcx h LYS 25 CO -0.04 1.11 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.36 2gcx h LEU 26 N 0.62 -0.03 -1.45 2.94 3.38 0.42 -2.05 115.31 119.13 2gcx h LEU 26 Ca 0.04 -0.60 0.17 0.00 0.09 0.00 0.00 57.88 57.57 2gcx h LEU 26 Cb 1.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2gcx h LEU 26 CO 0.10 0.61 0.56 -0.07 0.09 0.00 0.00 178.44 179.73 2gcx h LEU 27 N -0.70 0.48 -0.20 1.67 3.38 -1.18 0.24 115.31 119.01 2gcx h LEU 27 Ca -0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2gcx h LEU 27 Cb 0.64 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2gcx h LEU 27 CO 0.01 0.23 -0.68 0.28 0.09 0.00 0.00 178.44 178.36 2gcx h SER 28 N 0.50 0.00 1.47 -0.43 0.02 -1.40 -3.19 113.55 110.51 2gcx h SER 28 Ca 0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.28 2gcx h SER 28 Cb 0.93 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2gcx h SER 28 CO -0.17 0.68 -0.54 0.25 -1.14 0.00 0.00 176.83 175.91 2gcx h LEU 29 N 0.00 0.00 0.00 5.07 5.85 0.08 -3.48 115.31 122.83 2gcx h LEU 29 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2gcx h LEU 29 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2gcx h LEU 29 CO 0.09 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 2gcx n GLY 30 N 1.23 0.90 3.33 3.75 0.00 0.53 -5.06 105.19 109.88 2gcx n GLY 30 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.80 3.24 0.23 1.61 -1.94 -0.90 -5.01 119.30 115.73 2gcx s MET 31 Ca 0.00 -1.91 0.06 0.00 -1.71 0.00 0.00 55.69 52.13 2gcx s MET 31 Cb 0.00 -4.37 -0.04 0.00 2.01 0.00 0.00 34.83 32.44 2gcx s MET 31 CO 0.00 -1.37 0.20 -0.51 -0.01 0.00 0.00 175.02 173.34 2gcx s LEU 32 N 1.32 3.89 -0.71 -0.03 1.02 -1.26 -4.33 118.68 118.57 2gcx s LEU 32 Ca 0.11 -0.17 -0.37 0.00 0.02 0.00 0.00 54.13 53.71 2gcx s LEU 32 Cb -0.21 -2.44 -0.20 0.00 0.02 0.00 0.00 46.19 43.36 2gcx s LEU 32 CO -0.01 -0.02 2.34 -2.65 0.02 0.00 0.00 176.35 176.04 2gcx n PRO 33 N -1.00 0.00 0.00 1.29 -0.02 -1.26 -3.03 135.00 130.97 2gcx n PRO 33 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2gcx n PRO 33 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 6.90 1.17 3.92 -1.23 0.00 0.43 -4.94 105.19 111.44 2gcx n GLY 34 Ca 0.59 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.46 4.94 0.03 1.61 0.15 -0.89 -4.85 113.70 113.23 2gcx s SER 35 Ca 0.00 -0.92 0.05 0.00 0.70 0.00 0.00 55.95 55.78 2gcx s SER 35 Cb 0.00 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2gcx s SER 35 CO 0.00 -0.93 -0.15 -0.94 1.20 0.00 0.00 173.24 172.42 2gcx s SER 36 N -4.28 1.79 0.23 5.45 1.04 -1.26 0.14 113.70 116.80 2gcx s SER 36 Ca 0.46 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 2gcx s SER 36 Cb -0.04 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2gcx s SER 36 CO 0.28 0.07 0.46 0.72 0.98 0.00 0.00 173.24 175.75 2gcx s PHE 37 N -0.79 0.27 -0.03 5.02 -0.71 -0.80 -4.89 117.98 116.06 2gcx s PHE 37 Ca 0.03 -0.63 0.05 0.00 -1.04 0.00 0.00 56.93 55.33 2gcx s PHE 37 Cb -0.08 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2gcx s PHE 37 CO 0.01 -0.95 -0.17 -1.01 -1.34 0.00 0.00 175.22 171.76 2gcx s HIS 38 N -3.98 2.61 0.04 3.49 3.76 -0.89 -2.09 115.29 118.23 2gcx s HIS 38 Ca 0.19 -0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2gcx s HIS 38 Cb -0.00 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 2gcx s HIS 38 CO 0.06 0.15 0.96 0.08 -0.85 0.00 0.00 174.74 175.14 2gcx s VAL 39 N -0.73 4.73 -0.14 -0.90 1.01 -1.25 -1.48 120.40 121.64 2gcx s VAL 39 Ca 0.12 2.04 -0.04 0.00 0.00 0.00 0.00 61.98 64.09 2gcx s VAL 39 Cb -0.10 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 2gcx s VAL 39 CO 0.01 0.23 0.27 0.52 0.00 0.00 0.00 175.10 176.12 2gcx n VAL 40 N 3.45 1.73 -3.23 2.92 0.31 -0.80 -4.17 118.33 118.54 2gcx n VAL 40 Ca 0.04 -0.65 0.04 0.00 -0.01 0.00 0.00 64.34 63.76 2gcx n VAL 40 Cb 0.50 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 2gcx n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gcx s ARG 41 N -2.55 0.01 0.07 5.55 1.70 -1.26 -4.95 118.95 117.52 2gcx s ARG 41 Ca -0.24 0.02 -0.07 0.00 -0.47 0.00 0.00 55.73 54.97 2gcx s ARG 41 Cb 0.07 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2gcx s ARG 41 CO 0.74 -0.00 0.13 0.54 -1.08 0.00 0.00 175.30 175.63 2gcx s VAL 42 N 1.86 0.16 0.19 4.99 0.11 -1.26 -4.11 120.40 122.34 2gcx s VAL 42 Ca -0.00 -1.32 0.08 0.00 -2.93 0.00 0.00 61.98 57.81 2gcx s VAL 42 Cb -0.00 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 2gcx s VAL 42 CO -0.15 -0.73 -0.04 0.00 -3.33 0.00 0.00 175.10 170.85 2gcx s ALA 43 N -3.75 3.09 -0.08 1.54 0.00 -1.26 -4.74 121.76 116.56 2gcx s ALA 43 Ca 0.04 -1.46 0.24 0.00 0.00 0.00 0.00 51.96 50.79 2gcx s ALA 43 Cb 0.05 -0.85 0.71 0.00 0.00 0.00 0.00 23.12 23.03 2gcx s ALA 43 CO -0.10 0.44 1.74 -1.00 0.00 0.00 0.00 175.76 176.83 2gcx h PRO 44 N 2.65 0.00 0.00 0.00 0.13 -2.00 -3.35 132.00 129.43 2gcx h PRO 44 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gcx h PRO 44 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gcx h PRO 44 CO 0.57 0.17 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.40 2gcx h LEU 45 N 0.00 0.00 0.00 1.56 3.38 -2.02 -3.50 115.31 114.73 2gcx h LEU 45 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gcx h LEU 45 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2gcx h LEU 45 CO 0.02 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2gcx n GLY 46 N 1.81 0.36 3.46 0.83 0.00 -1.26 -5.18 105.19 105.22 2gcx n GLY 46 Ca -0.00 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 0.04 -0.26 1.61 1.11 -1.26 -4.97 116.67 112.93 2gcx s ASP 47 Ca 0.00 -1.10 -0.24 0.00 0.18 0.00 0.00 52.55 51.38 2gcx s ASP 47 Cb 0.00 0.53 -0.00 0.00 1.07 0.00 0.00 42.92 44.51 2gcx s ASP 47 CO 0.00 -1.06 0.83 -2.16 1.18 0.00 0.00 175.17 173.96 2gcx s PRO 48 N -4.01 4.12 0.10 8.23 0.05 -1.26 -3.76 135.00 138.47 2gcx s PRO 48 Ca 0.28 0.85 0.08 0.00 0.05 0.00 0.00 61.00 62.26 2gcx s PRO 48 Cb 0.02 -3.67 -0.04 0.00 0.05 0.00 0.00 34.50 30.85 2gcx s PRO 48 CO 0.11 -0.58 -0.15 0.54 0.05 0.00 0.00 177.00 176.96 2gcx s VAL 49 N 2.92 3.03 0.00 -0.36 0.11 -0.00 -4.88 120.40 121.22 2gcx s VAL 49 Ca 0.35 -1.38 -0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2gcx s VAL 49 Cb -0.15 -2.38 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 2gcx s VAL 49 CO 0.09 0.13 0.20 -1.00 -3.33 0.00 0.00 175.10 171.20 2gcx s HIS 50 N -1.14 3.55 -0.07 1.54 3.76 -1.26 -0.29 115.29 121.37 2gcx s HIS 50 Ca 0.19 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 2gcx s HIS 50 Cb -0.11 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 2gcx s HIS 50 CO 0.11 0.63 -0.10 0.96 -0.85 0.00 0.00 174.74 175.49 2gcx s ILE 51 N -1.35 3.41 -0.15 0.60 -4.36 0.27 -1.90 121.20 117.72 2gcx s ILE 51 Ca 0.29 -0.58 -0.05 0.00 -0.26 0.00 0.00 60.65 60.05 2gcx s ILE 51 Cb -0.13 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 2gcx s ILE 51 CO 0.20 0.58 -0.00 -0.70 0.24 0.00 0.00 174.94 175.25 2gcx s GLU 52 N -0.58 3.67 0.11 0.37 2.12 -0.55 -0.68 118.70 123.16 2gcx s GLU 52 Ca 0.08 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.99 2gcx s GLU 52 Cb -0.12 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2gcx s GLU 52 CO 0.02 0.32 0.08 0.25 -0.54 0.00 0.00 175.26 175.38 2gcx n THR 53 N 3.32 0.00 -1.54 -1.70 -2.24 -0.02 -2.09 114.28 110.02 2gcx n THR 53 Ca -0.17 -0.76 -0.20 0.00 -2.27 0.00 0.00 64.05 60.64 2gcx n THR 53 Cb 0.53 0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 2gcx n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gcx n ARG 54 N -0.23 0.41 -3.75 -0.78 5.12 -1.26 -2.02 116.66 114.16 2gcx n ARG 54 Ca 0.01 -0.46 -0.28 0.00 -1.93 0.00 0.00 57.85 55.19 2gcx n ARG 54 Cb 0.19 -2.74 0.03 0.00 -1.16 0.00 0.00 32.46 28.78 2gcx n ARG 54 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gcx n ARG 55 N 7.84 -5.50 -3.29 5.56 1.74 -1.26 -4.95 116.66 116.80 2gcx n ARG 55 Ca 0.53 0.63 -0.01 0.00 -0.77 0.00 0.00 57.85 58.23 2gcx n ARG 55 Cb 0.33 -5.52 -0.04 0.00 -1.02 0.00 0.00 32.46 26.21 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gcx s VAL 56 N -3.25 -0.86 -0.39 1.55 1.01 -0.85 -5.12 120.40 112.48 2gcx s VAL 56 Ca 0.61 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 2gcx s VAL 56 Cb -0.30 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.21 2gcx s VAL 56 CO 0.75 -0.03 0.23 -0.55 0.00 0.00 0.00 175.10 175.49 2gcx s SER 57 N 2.75 5.70 0.26 3.32 0.15 -1.26 -0.84 113.70 123.78 2gcx s SER 57 Ca 0.15 -1.21 0.04 0.00 0.70 0.00 0.00 55.95 55.63 2gcx s SER 57 Cb -0.15 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2gcx s SER 57 CO -0.19 -0.45 0.39 -0.22 1.20 0.00 0.00 173.24 173.97 2gcx s LEU 58 N 1.50 4.26 -0.08 3.45 2.96 0.14 -4.90 118.68 126.02 2gcx s LEU 58 Ca 0.02 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2gcx s LEU 58 Cb -0.21 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2gcx s LEU 58 CO 0.05 -0.11 -0.13 0.54 -1.32 0.00 0.00 176.35 175.37 2gcx s VAL 59 N -2.04 3.10 -0.00 1.68 0.11 -1.26 0.95 120.40 122.93 2gcx s VAL 59 Ca 0.35 -0.68 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 2gcx s VAL 59 Cb -0.09 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2gcx s VAL 59 CO 0.30 0.56 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.68 2gcx s LEU 60 N -0.30 2.07 0.11 2.54 1.43 0.60 -4.94 118.68 120.19 2gcx s LEU 60 Ca 0.03 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2gcx s LEU 60 Cb -0.13 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2gcx s LEU 60 CO 0.03 0.22 0.06 0.00 0.23 0.00 0.00 176.35 176.89 2gcx s ARG 61 N -0.62 2.75 0.55 1.70 3.03 -1.26 -0.82 118.95 124.27 2gcx s ARG 61 Ca 0.07 -0.81 0.38 0.00 2.03 0.00 0.00 55.73 57.40 2gcx s ARG 61 Cb -0.08 -2.62 1.56 0.00 -1.03 0.00 0.00 34.95 32.79 2gcx s ARG 61 CO -0.00 0.53 1.78 1.57 -1.13 0.00 0.00 175.30 178.05 2gcx h LYS 62 N 3.07 0.00 0.00 3.89 -0.00 -1.94 1.24 116.57 122.83 2gcx h LYS 62 Ca -0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.06 2gcx h LYS 62 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.39 2gcx h LYS 62 CO 0.63 0.00 -0.65 1.57 -0.00 0.00 0.00 179.45 181.00 2gcx h LYS 63 N 0.00 0.00 0.01 0.07 2.10 -1.94 -3.15 116.57 113.67 2gcx h LYS 63 Ca 0.59 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 59.04 2gcx h LYS 63 Cb 2.40 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.70 2gcx h LYS 63 CO -0.01 0.50 -0.93 0.22 -2.00 0.00 0.00 179.45 177.24 2gcx h ASP 64 N 0.00 0.06 1.41 7.07 1.82 0.11 -3.18 116.42 123.71 2gcx h ASP 64 Ca -0.02 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 2gcx h ASP 64 Cb 1.43 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.42 2gcx h ASP 64 CO 0.07 0.95 -0.15 -0.07 -1.61 0.00 0.00 179.24 178.43 2gcx h LEU 65 N 0.02 0.00 -1.02 2.28 4.07 -1.25 -3.04 115.31 116.36 2gcx h LEU 65 Ca -0.02 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 2gcx h LEU 65 Cb 1.62 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 2gcx h LEU 65 CO 0.13 0.15 -0.39 0.00 -1.08 0.00 0.00 178.44 177.24 2gcx h ALA 66 N 1.85 1.18 0.00 1.53 0.00 -1.52 -3.33 119.26 118.97 2gcx h ALA 66 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2gcx h ALA 66 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gcx h ALA 66 CO 0.02 0.56 -0.12 -0.07 0.00 0.00 0.00 179.25 179.64 2gcx h LEU 67 N 0.16 0.00-10.14 0.00 3.38 -1.65 -3.47 115.31 103.59 2gcx h LEU 67 Ca 0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.46 2gcx h LEU 67 Cb 0.77 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.64 2gcx h LEU 67 CO 0.06 0.47 0.43 0.27 0.09 0.00 0.00 178.44 179.76 2gcx s ILE 68 N -1.62 2.70 0.19 1.22 -4.36 -1.16 -3.88 121.20 114.29 2gcx s ILE 68 Ca -0.04 0.39 0.02 0.00 -0.26 0.00 0.00 60.65 60.76 2gcx s ILE 68 Cb 0.00 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2gcx s ILE 68 CO 0.05 -0.14 0.35 -0.70 0.24 0.00 0.00 174.94 174.74 2gcx s GLU 69 N -3.63 3.47 0.19 0.37 2.56 -0.57 -4.81 118.70 116.29 2gcx s GLU 69 Ca 0.74 -0.51 0.09 0.00 0.00 0.00 0.00 54.97 55.29 2gcx s GLU 69 Cb -0.28 -2.89 -0.04 0.00 2.00 0.00 0.00 34.13 32.92 2gcx s GLU 69 CO 0.37 0.44 -0.17 -1.17 -0.56 0.00 0.00 175.26 174.17 2gcx s LEU 70 N -3.44 2.50 -0.01 2.70 2.96 -1.26 -1.41 118.68 120.71 2gcx s LEU 70 Ca 0.36 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 2gcx s LEU 70 Cb -0.11 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.80 2gcx s LEU 70 CO 0.29 -0.08 0.23 -0.70 -1.32 0.00 0.00 176.35 174.78 2gcx s GLU 71 N -3.18 0.59 0.26 1.98 2.12 -0.38 -4.88 118.70 115.21 2gcx s GLU 71 Ca 0.20 -0.28 -0.27 0.00 0.36 0.00 0.00 54.97 54.98 2gcx s GLU 71 Cb -0.04 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.51 2gcx s GLU 71 CO 0.08 -0.15 0.90 0.00 -0.54 0.00 0.00 175.26 175.54 2gcx s ALA 72 N -1.35 3.31 1.06 6.30 0.00 -1.26 0.10 121.76 129.92 2gcx s ALA 72 Ca -0.14 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2gcx s ALA 72 Cb -0.06 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.05 2gcx s ALA 72 CO 0.03 0.22 0.51 1.33 0.00 0.00 0.00 175.76 177.85 2gcx n VAL 73 N 1.04 0.00 -3.26 0.00 0.24 -1.26 -4.67 118.33 110.42 2gcx n VAL 73 Ca -0.01 -0.30 0.03 0.00 -2.04 0.00 0.00 64.34 62.03 2gcx n VAL 73 Cb 0.49 -1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 31.43 2gcx n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gcx s ALA 74 N -3.44 -2.88 -0.82 2.33 0.00 -1.26 -5.05 121.76 110.64 2gcx s ALA 74 Ca 0.31 1.77 0.07 0.00 0.00 0.00 0.00 51.96 54.11 2gcx s ALA 74 Cb -0.02 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.90 2gcx s ALA 74 CO 0.23 -1.24 0.71 0.94 0.00 0.00 0.00 175.76 176.40