#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 0.66 -3.54 0.03 1.13 -1.26 -5.00 117.38 109.40 2gcx n GLN 2 Ca 0.00 0.26 -0.26 0.00 -1.94 0.00 0.00 57.00 55.06 2gcx n GLN 2 Cb 0.00 -1.93 -0.15 0.00 0.11 0.00 0.00 30.24 28.27 2gcx n GLN 2 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2gcx s PHE 3 N -1.64 0.13 0.43 1.08 -0.71 -1.26 -5.15 117.98 110.87 2gcx s PHE 3 Ca 0.72 -0.52 -0.09 0.00 -1.04 0.00 0.00 56.93 56.01 2gcx s PHE 3 Cb -0.42 -0.73 -0.06 0.00 -1.21 0.00 0.00 43.02 40.60 2gcx s PHE 3 CO 0.51 -0.72 0.79 0.95 -1.34 0.00 0.00 175.22 175.40 2gcx s THR 4 N 2.17 4.81 -0.93 -4.49 -4.23 -1.26 -4.80 115.64 106.89 2gcx s THR 4 Ca 0.07 0.54 -0.24 0.00 -1.18 0.00 0.00 61.69 60.88 2gcx s THR 4 Cb -0.16 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 69.91 2gcx s THR 4 CO -0.26 -0.63 1.72 -2.16 -0.54 0.00 0.00 174.62 172.76 2gcx s PRO 5 N -4.12 3.00 0.00 3.99 0.04 -1.26 -3.59 135.00 133.06 2gcx s PRO 5 Ca 0.51 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2gcx s PRO 5 Cb -0.10 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2gcx s PRO 5 CO 0.35 -2.84 0.00 -3.47 0.04 0.00 0.00 177.00 171.09 2gcx n ASP 6 N 11.70 0.00 -4.84 6.66 -0.08 -1.26 -4.97 116.55 123.76 2gcx n ASP 6 Ca 0.35 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.26 2gcx n ASP 6 Cb 0.49 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2gcx s SER 7 N 0.00 6.83 0.73 1.67 0.01 -1.24 -4.94 113.70 116.77 2gcx s SER 7 Ca 0.00 1.01 -0.11 0.00 1.31 0.00 0.00 55.95 58.15 2gcx s SER 7 Cb 0.00 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 64.00 2gcx s SER 7 CO 0.00 0.25 1.09 0.00 0.41 0.00 0.00 173.24 174.99 2gcx s ALA 8 N -1.21 2.67 0.22 1.44 0.00 -1.26 -4.28 121.76 119.34 2gcx s ALA 8 Ca 0.29 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 2gcx s ALA 8 Cb -0.16 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2gcx s ALA 8 CO 0.16 -1.33 0.35 -1.58 0.00 0.00 0.00 175.76 173.37 2gcx s TRP 9 N -3.26 0.61 -0.07 0.00 0.52 -0.93 -3.98 118.94 111.82 2gcx s TRP 9 Ca 0.59 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.81 2gcx s TRP 9 Cb -0.12 -0.06 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 2gcx s TRP 9 CO 0.53 -0.86 -0.15 0.15 0.02 0.00 0.00 176.95 176.63 2gcx s LYS 10 N -4.06 2.72 -0.14 4.98 1.02 0.44 -1.61 119.74 123.09 2gcx s LYS 10 Ca 0.27 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2gcx s LYS 10 Cb 0.02 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 2gcx s LYS 10 CO 0.09 0.50 1.10 0.42 -0.92 0.00 0.00 175.35 176.53 2gcx s ILE 11 N -0.40 4.57 -0.35 2.17 1.01 0.18 -1.98 121.20 126.39 2gcx s ILE 11 Ca 0.04 1.87 0.15 0.00 0.00 0.00 0.00 60.65 62.71 2gcx s ILE 11 Cb -0.12 -4.20 0.44 0.00 0.01 0.00 0.00 42.46 38.58 2gcx s ILE 11 CO 0.02 -0.07 0.95 0.41 0.00 0.00 0.00 174.94 176.25 2gcx n THR 12 N 4.92 1.14 -1.53 2.92 -1.04 0.15 0.13 114.28 120.97 2gcx n THR 12 Ca 0.11 -3.61 -0.31 0.00 -2.04 0.00 0.00 64.05 58.20 2gcx n THR 12 Cb 0.47 0.19 -0.11 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.09 -0.21 2.75 3.41 0.00 -1.24 -1.58 105.19 108.23 2gcx n GLY 13 Ca 0.16 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.63 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 9.63 -0.33 0.14 1.61 5.36 -1.26 -4.79 117.98 128.33 2gcx s PHE 14 Ca 1.15 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2gcx s PHE 14 Cb -0.61 -0.46 0.02 0.00 -0.34 0.00 0.00 43.02 41.63 2gcx s PHE 14 CO 0.35 -0.94 0.15 0.45 -1.46 0.00 0.00 175.22 173.77 2gcx n SER 15 N 4.75 1.01 0.12 6.13 2.88 -1.23 -4.49 113.62 122.80 2gcx n SER 15 Ca 0.05 -1.43 0.08 0.00 -1.33 0.00 0.00 58.87 56.24 2gcx n SER 15 Cb 0.45 -0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.89 2gcx n SER 15 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2gcx h ARG 16 N 0.00 0.00 -0.03 -1.46 -0.00 -1.97 -3.39 114.38 107.53 2gcx h ARG 16 Ca -0.08 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.25 2gcx h ARG 16 Cb 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 29.97 30.10 2gcx h ARG 16 CO 0.12 0.13 -0.42 -0.25 0.00 0.00 0.00 179.97 179.55 2gcx n ASP 17 N -2.90 -0.76 -4.68 7.04 9.92 -1.26 -5.12 116.55 118.79 2gcx n ASP 17 Ca -0.01 -2.07 -0.58 0.00 -0.53 0.00 0.00 54.79 51.61 2gcx n ASP 17 Cb 0.63 0.30 -0.07 0.00 -0.64 0.00 0.00 41.12 41.34 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gcx n ILE 18 N -0.46 0.20 -2.10 0.53 3.06 -1.26 -4.92 119.36 114.40 2gcx n ILE 18 Ca -0.19 -0.04 -0.32 0.00 -2.50 0.00 0.00 62.75 59.70 2gcx n ILE 18 Cb 0.81 -1.02 -0.00 0.00 0.54 0.00 0.00 39.64 39.97 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2gcx s SER 19 N 2.70 6.07 0.47 9.51 1.04 -1.26 -4.89 113.70 127.34 2gcx s SER 19 Ca 0.96 1.68 0.15 0.00 0.48 0.00 0.00 55.95 59.22 2gcx s SER 19 Cb -1.10 -2.52 1.08 0.00 0.10 0.00 0.00 66.02 63.59 2gcx s SER 19 CO 0.63 -0.97 2.03 1.55 0.98 0.00 0.00 173.24 177.46 2gcx h PRO 20 N 0.42 0.00 -0.61 4.02 0.13 -1.96 -1.26 132.00 132.74 2gcx h PRO 20 Ca -0.46 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2gcx h PRO 20 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2gcx h PRO 20 CO 0.59 0.14 0.18 0.00 -0.23 0.00 0.00 178.00 178.67 2gcx h ALA 21 N 1.86 0.77 0.00 -0.56 0.00 -1.98 1.36 119.26 120.72 2gcx h ALA 21 Ca -0.00 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 2gcx h ALA 21 Cb 0.24 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2gcx h ALA 21 CO 0.02 -0.26 -1.31 1.88 0.00 0.00 0.00 179.25 179.57 2gcx h TYR 22 N 0.32 0.00 0.17 0.00 -1.99 -1.88 -3.23 116.97 110.36 2gcx h TYR 22 Ca 0.32 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 2gcx h TYR 22 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 2gcx h TYR 22 CO -0.21 0.89 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.67 2gcx h ARG 23 N 0.00 -0.22 -0.50 4.88 1.12 -0.42 -3.30 114.38 115.94 2gcx h ARG 23 Ca -0.15 0.01 0.15 0.00 -1.11 0.00 0.00 59.98 58.88 2gcx h ARG 23 Cb 1.81 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.80 2gcx h ARG 23 CO 0.09 -0.14 0.44 0.37 -3.11 0.00 0.00 179.97 177.62 2gcx h GLN 24 N -0.89 0.00 -0.95 0.20 4.15 0.16 -0.29 115.11 117.49 2gcx h GLN 24 Ca -0.02 0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.65 2gcx h GLN 24 Cb 0.17 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 2gcx h GLN 24 CO 0.04 0.00 0.66 -0.22 -1.93 0.00 0.00 178.83 177.38 2gcx h LYS 25 N 0.00 0.15 0.16 1.69 3.64 -1.63 -0.82 116.57 119.76 2gcx h LYS 25 Ca 0.24 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.32 2gcx h LYS 25 Cb 1.12 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2gcx h LYS 25 CO -0.00 0.10 -1.42 -0.07 -2.27 0.00 0.00 179.45 175.79 2gcx h LEU 26 N 0.15 0.53 -1.73 5.20 4.07 -1.21 -3.32 115.31 119.01 2gcx h LEU 26 Ca 0.47 -0.90 0.18 0.00 0.08 0.00 0.00 57.88 57.72 2gcx h LEU 26 Cb 1.61 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 43.15 2gcx h LEU 26 CO -0.09 1.64 0.69 -0.07 -1.08 0.00 0.00 178.44 179.53 2gcx h LEU 27 N -0.14 0.00 -0.85 1.67 3.38 -1.19 0.47 115.31 118.65 2gcx h LEU 27 Ca -0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 2gcx h LEU 27 Cb 1.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2gcx h LEU 27 CO 0.14 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.42 2gcx h SER 28 N 0.00 0.81 0.71 -0.43 4.64 -1.59 -3.00 113.55 114.69 2gcx h SER 28 Ca 0.30 -0.21 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 2gcx h SER 28 Cb 1.68 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 2gcx h SER 28 CO -0.00 0.89 -1.37 0.18 -0.87 0.00 0.00 176.83 175.65 2gcx n LEU 29 N -4.20 0.78 0.00 5.97 4.32 0.15 -4.98 117.00 119.04 2gcx n LEU 29 Ca 0.02 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 2gcx n LEU 29 Cb 0.32 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2gcx n LEU 29 CO 0.42 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 2gcx n GLY 30 N 1.34 1.14 3.33 -0.72 0.00 -0.13 -5.05 105.19 105.10 2gcx n GLY 30 Ca -0.08 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.66 3.05 0.34 1.61 -1.94 -1.17 -5.00 119.30 115.53 2gcx s MET 31 Ca 0.00 -1.65 0.02 0.00 -1.71 0.00 0.00 55.69 52.35 2gcx s MET 31 Cb 0.00 -4.30 -0.03 0.00 2.01 0.00 0.00 34.83 32.51 2gcx s MET 31 CO 0.00 -1.39 0.53 -0.51 -0.01 0.00 0.00 175.02 173.64 2gcx s LEU 32 N 1.83 4.01 -0.48 -0.03 1.02 -1.26 -4.54 118.68 119.23 2gcx s LEU 32 Ca 0.06 0.33 -0.44 0.00 0.02 0.00 0.00 54.13 54.10 2gcx s LEU 32 Cb -0.27 -3.18 -0.19 0.00 0.02 0.00 0.00 46.19 42.57 2gcx s LEU 32 CO 0.03 -0.32 1.93 -2.65 0.02 0.00 0.00 176.35 175.36 2gcx n PRO 33 N -1.76 0.13 0.00 1.29 -0.02 -1.26 -3.06 135.00 130.32 2gcx n PRO 33 Ca -0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2gcx n PRO 33 Cb 0.57 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 6.04 1.70 4.01 -1.23 0.00 0.36 -4.96 105.19 111.11 2gcx n GLY 34 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 5.31 0.20 1.61 0.15 -0.88 -4.85 113.70 113.24 2gcx s SER 35 Ca 0.00 -0.68 0.11 0.00 0.70 0.00 0.00 55.95 56.08 2gcx s SER 35 Cb 0.00 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 2gcx s SER 35 CO 0.00 -1.07 -0.24 -0.55 1.20 0.00 0.00 173.24 172.58 2gcx s SER 36 N -4.51 3.42 0.19 5.45 0.15 -1.26 0.51 113.70 117.65 2gcx s SER 36 Ca 0.58 -0.88 -0.22 0.00 0.70 0.00 0.00 55.95 56.12 2gcx s SER 36 Cb -0.07 -0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.06 2gcx s SER 36 CO 0.36 0.11 1.01 0.72 1.20 0.00 0.00 173.24 176.64 2gcx s PHE 37 N -1.75 0.04 0.13 3.44 -0.71 -0.63 -4.78 117.98 113.72 2gcx s PHE 37 Ca 0.21 -0.44 0.06 0.00 -1.04 0.00 0.00 56.93 55.73 2gcx s PHE 37 Cb -0.08 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.39 2gcx s PHE 37 CO 0.10 -0.94 -0.14 -1.58 -1.34 0.00 0.00 175.22 171.32 2gcx s HIS 38 N -2.37 1.46 -0.06 3.49 2.46 -0.64 -2.19 115.29 117.44 2gcx s HIS 38 Ca 0.20 -0.55 -0.16 0.00 0.47 0.00 0.00 55.06 55.01 2gcx s HIS 38 Cb -0.02 -0.75 -0.05 0.00 -0.13 0.00 0.00 32.58 31.62 2gcx s HIS 38 CO 0.05 0.17 0.43 0.08 -2.47 0.00 0.00 174.74 173.01 2gcx s VAL 39 N -2.22 5.11 -0.26 0.89 1.01 -1.26 -0.84 120.40 122.83 2gcx s VAL 39 Ca 0.11 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 2gcx s VAL 39 Cb -0.04 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 2gcx s VAL 39 CO 0.03 0.45 -0.32 0.52 0.00 0.00 0.00 175.10 175.79 2gcx n VAL 40 N 2.75 1.53 -3.66 2.92 0.31 -0.63 -4.26 118.33 117.29 2gcx n VAL 40 Ca -0.11 -0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 63.87 2gcx n VAL 40 Cb 0.52 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.47 0.09 5.55 1.70 -1.26 -4.85 118.95 118.11 2gcx s ARG 41 Ca -0.37 1.13 0.02 0.00 -0.47 0.00 0.00 55.73 56.04 2gcx s ARG 41 Cb 0.13 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2gcx s ARG 41 CO 0.49 -0.20 -0.07 0.08 -1.08 0.00 0.00 175.30 174.52 2gcx s VAL 42 N 2.27 0.69 0.14 4.99 1.01 -1.26 -3.83 120.40 124.41 2gcx s VAL 42 Ca -0.06 -1.84 0.08 0.00 0.00 0.00 0.00 61.98 60.17 2gcx s VAL 42 Cb -0.10 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2gcx s VAL 42 CO -0.16 -0.81 -0.20 0.00 0.00 0.00 0.00 175.10 173.94 2gcx s ALA 43 N -3.34 1.94 0.11 5.51 0.00 -1.26 -4.86 121.76 119.85 2gcx s ALA 43 Ca 0.09 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2gcx s ALA 43 Cb 0.03 -0.22 -0.22 0.00 0.00 0.00 0.00 23.12 22.72 2gcx s ALA 43 CO -0.04 0.30 1.24 -1.00 0.00 0.00 0.00 175.76 176.26 2gcx h PRO 44 N 3.61 0.04 0.00 0.00 0.13 -1.98 -3.30 132.00 130.51 2gcx h PRO 44 Ca -0.44 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 2gcx h PRO 44 Cb 1.19 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2gcx h PRO 44 CO 0.46 1.02 -0.68 -0.07 -0.23 0.00 0.00 178.00 178.50 2gcx h LEU 45 N 0.01 0.00 0.00 1.56 3.38 -2.06 -3.48 115.31 114.72 2gcx h LEU 45 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2gcx h LEU 45 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2gcx h LEU 45 CO 0.14 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2gcx n GLY 46 N 1.27 2.55 3.46 0.83 0.00 -1.24 -5.19 105.19 106.87 2gcx n GLY 46 Ca 0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.06 -0.23 1.61 1.11 -1.26 -4.97 116.67 113.00 2gcx s ASP 47 Ca 0.00 -1.12 -0.25 0.00 0.18 0.00 0.00 52.55 51.36 2gcx s ASP 47 Cb 0.00 0.53 -0.01 0.00 1.07 0.00 0.00 42.92 44.51 2gcx s ASP 47 CO 0.00 -1.06 0.84 -2.16 1.18 0.00 0.00 175.17 173.97 2gcx s PRO 48 N -3.99 4.21 0.24 8.23 0.05 -1.26 -4.17 135.00 138.31 2gcx s PRO 48 Ca 0.28 0.99 0.07 0.00 0.05 0.00 0.00 61.00 62.39 2gcx s PRO 48 Cb 0.02 -3.63 -0.04 0.00 0.05 0.00 0.00 34.50 30.90 2gcx s PRO 48 CO 0.11 -0.49 0.15 0.54 0.05 0.00 0.00 177.00 177.36 2gcx s VAL 49 N 2.73 4.29 -0.07 -0.36 0.11 0.03 -4.85 120.40 122.29 2gcx s VAL 49 Ca 0.36 -1.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.01 2gcx s VAL 49 Cb -0.15 -3.29 -0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2gcx s VAL 49 CO 0.08 -0.31 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.40 2gcx s HIS 50 N -2.09 2.72 -0.09 1.54 3.76 -1.25 0.83 115.29 120.71 2gcx s HIS 50 Ca 0.32 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.87 2gcx s HIS 50 Cb -0.08 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 2gcx s HIS 50 CO 0.24 0.06 0.10 0.96 -0.85 0.00 0.00 174.74 175.25 2gcx s ILE 51 N -0.41 5.13 -0.38 0.60 -4.36 0.25 -1.60 121.20 120.44 2gcx s ILE 51 Ca 0.05 -0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.35 2gcx s ILE 51 Cb -0.12 -3.25 0.05 0.00 1.25 0.00 0.00 42.46 40.39 2gcx s ILE 51 CO 0.02 0.56 0.19 -0.70 0.24 0.00 0.00 174.94 175.25 2gcx s GLU 52 N -1.16 2.63 0.30 0.37 2.12 -0.02 -1.39 118.70 121.55 2gcx s GLU 52 Ca 0.17 -1.29 0.02 0.00 0.36 0.00 0.00 54.97 54.23 2gcx s GLU 52 Cb -0.12 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.65 2gcx s GLU 52 CO 0.06 -0.79 0.14 0.25 -0.54 0.00 0.00 175.26 174.37 2gcx n THR 53 N 4.88 0.00 -1.50 -1.70 -2.24 0.46 -1.62 114.28 112.56 2gcx n THR 53 Ca -0.11 -1.29 -0.42 0.00 -2.27 0.00 0.00 64.05 59.97 2gcx n THR 53 Cb 0.44 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.02 0.61 -3.77 -0.78 5.12 -1.26 -1.73 116.66 113.82 2gcx n ARG 54 Ca -0.06 0.06 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 2gcx n ARG 54 Cb 0.36 -2.42 -0.03 0.00 -1.16 0.00 0.00 32.46 29.21 2gcx n ARG 54 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2gcx n ARG 55 N 8.59 -2.53 -3.68 5.56 1.85 -1.26 -4.91 116.66 120.28 2gcx n ARG 55 Ca 0.50 0.29 -0.10 0.00 -1.00 0.00 0.00 57.85 57.54 2gcx n ARG 55 Cb 0.26 -4.94 -0.11 0.00 -1.05 0.00 0.00 32.46 26.63 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2gcx s VAL 56 N -2.96 -0.22 -0.36 8.89 1.01 -0.71 -5.13 120.40 120.92 2gcx s VAL 56 Ca 0.55 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 2gcx s VAL 56 Cb -0.30 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2gcx s VAL 56 CO 0.67 0.05 0.14 -0.55 0.00 0.00 0.00 175.10 175.41 2gcx s SER 57 N 1.79 5.33 0.20 3.32 0.15 -1.26 -0.40 113.70 122.82 2gcx s SER 57 Ca -0.07 -1.34 0.06 0.00 0.70 0.00 0.00 55.95 55.31 2gcx s SER 57 Cb -0.10 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2gcx s SER 57 CO -0.13 -0.39 0.13 -0.76 1.20 0.00 0.00 173.24 173.29 2gcx s LEU 58 N 1.36 3.70 -0.10 3.45 1.43 -0.49 -4.95 118.68 123.08 2gcx s LEU 58 Ca 0.00 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2gcx s LEU 58 Cb -0.21 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2gcx s LEU 58 CO 0.01 0.03 -0.11 0.54 0.23 0.00 0.00 176.35 177.05 2gcx s VAL 59 N -1.91 3.25 -0.06 -1.59 0.11 -1.26 0.87 120.40 119.81 2gcx s VAL 59 Ca 0.31 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2gcx s VAL 59 Cb -0.09 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 2gcx s VAL 59 CO 0.23 0.55 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.58 2gcx s LEU 60 N -0.17 2.00 0.30 2.54 1.43 0.24 -4.93 118.68 120.09 2gcx s LEU 60 Ca 0.01 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2gcx s LEU 60 Cb -0.13 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2gcx s LEU 60 CO 0.03 0.19 0.46 -0.13 0.23 0.00 0.00 176.35 177.14 2gcx s ARG 61 N 0.02 3.41 0.62 1.70 0.52 -1.26 -0.79 118.95 123.17 2gcx s ARG 61 Ca -0.07 -0.59 0.28 0.00 -0.52 0.00 0.00 55.73 54.83 2gcx s ARG 61 Cb -0.14 -2.77 1.43 0.00 0.52 0.00 0.00 34.95 33.99 2gcx s ARG 61 CO 0.04 0.25 1.83 0.87 0.02 0.00 0.00 175.30 178.31 2gcx h LYS 62 N 0.93 0.00 0.00 3.54 1.57 -1.96 0.65 116.57 121.30 2gcx h LYS 62 Ca -0.50 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.08 2gcx h LYS 62 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2gcx h LYS 62 CO 0.60 0.00 -1.17 1.57 -0.57 0.00 0.00 179.45 179.88 2gcx h LYS 63 N 0.00 0.00 -0.01 3.15 2.10 -1.95 -3.11 116.57 116.75 2gcx h LYS 63 Ca 0.14 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.61 2gcx h LYS 63 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2gcx h LYS 63 CO -0.00 0.59 -0.82 0.22 -2.00 0.00 0.00 179.45 177.43 2gcx h ASP 64 N 0.00 0.26 1.78 7.07 1.82 -0.09 -3.13 116.42 124.13 2gcx h ASP 64 Ca -0.12 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2gcx h ASP 64 Cb 1.70 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 41.63 2gcx h ASP 64 CO 0.08 0.97 -0.16 -0.07 -1.61 0.00 0.00 179.24 178.45 2gcx h LEU 65 N 0.12 0.00 -1.16 2.28 4.07 -1.44 -3.02 115.31 116.17 2gcx h LEU 65 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2gcx h LEU 65 Cb 1.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.17 2gcx h LEU 65 CO 0.13 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 177.65 2gcx h ALA 66 N 1.84 1.00 0.00 1.53 0.00 -1.48 -3.33 119.26 118.81 2gcx h ALA 66 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2gcx h ALA 66 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2gcx h ALA 66 CO 0.02 0.00 -1.14 1.28 0.00 0.00 0.00 179.25 179.41 2gcx n LEU 67 N -2.80 1.94 -4.73 0.00 4.77 -1.20 -5.00 117.00 109.97 2gcx n LEU 67 Ca 0.01 0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 56.02 2gcx n LEU 67 Cb 0.29 -0.75 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2gcx n LEU 67 CO 0.25 -0.19 0.71 0.27 -1.33 0.00 0.00 177.39 177.10 2gcx s ILE 68 N -2.84 2.79 -0.03 -0.08 -4.36 -1.15 -3.48 121.20 112.05 2gcx s ILE 68 Ca -0.29 0.29 0.02 0.00 -0.26 0.00 0.00 60.65 60.41 2gcx s ILE 68 Cb 0.05 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2gcx s ILE 68 CO 0.43 -0.30 -0.09 -0.70 0.24 0.00 0.00 174.94 174.52 2gcx s GLU 69 N -4.57 2.60 0.00 0.37 2.56 -0.61 -4.75 118.70 114.30 2gcx s GLU 69 Ca 0.66 -0.66 0.07 0.00 0.00 0.00 0.00 54.97 55.04 2gcx s GLU 69 Cb -0.21 -2.50 -0.03 0.00 2.00 0.00 0.00 34.13 33.39 2gcx s GLU 69 CO 0.53 0.63 -0.20 -0.51 -0.56 0.00 0.00 175.26 175.15 2gcx s LEU 70 N -1.04 2.43 -0.11 2.70 2.01 -1.26 0.30 118.68 123.72 2gcx s LEU 70 Ca 0.14 -0.40 0.01 0.00 0.01 0.00 0.00 54.13 53.89 2gcx s LEU 70 Cb -0.11 -1.45 0.02 0.00 0.01 0.00 0.00 46.19 44.66 2gcx s LEU 70 CO 0.04 0.30 -0.11 -0.70 1.01 0.00 0.00 176.35 176.89 2gcx s GLU 71 N -1.00 1.77 1.02 1.70 2.56 -0.84 -4.95 118.70 118.97 2gcx s GLU 71 Ca 0.12 -0.38 -0.16 0.00 0.00 0.00 0.00 54.97 54.56 2gcx s GLU 71 Cb -0.10 -1.67 0.12 0.00 2.00 0.00 0.00 34.13 34.48 2gcx s GLU 71 CO 0.02 -0.17 0.07 0.00 -0.56 0.00 0.00 175.26 174.62 2gcx n ALA 72 N 4.57 -1.87 -3.52 6.30 0.00 -1.26 -0.42 120.51 124.30 2gcx n ALA 72 Ca -0.16 -1.10 -0.19 0.00 0.00 0.00 0.00 53.44 51.99 2gcx n ALA 72 Cb 0.51 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.97 2gcx n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gcx n VAL 73 N -4.30 0.00 -1.59 0.00 0.24 -1.26 -4.48 118.33 106.95 2gcx n VAL 73 Ca 0.04 -1.45 -0.49 0.00 -2.04 0.00 0.00 64.34 60.39 2gcx n VAL 73 Cb 0.44 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.43 2gcx n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gcx n ALA 74 N -2.32 1.03 1.00 2.33 0.00 -1.26 -5.11 120.51 116.18 2gcx n ALA 74 Ca -0.11 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2gcx n ALA 74 Cb 0.43 -2.57 0.10 0.00 0.00 0.00 0.00 19.45 17.41 2gcx n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54