#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 1.34 -0.53 3.17 0.00 -1.26 -5.07 119.66 117.31 2gcx s GLN 2 Ca 0.00 -1.73 -0.26 0.00 -0.00 0.00 0.00 55.36 53.37 2gcx s GLN 2 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 33.01 33.03 2gcx s GLN 2 CO 0.00 -0.40 2.43 1.19 0.00 0.00 0.00 175.29 178.52 2gcx n PHE 3 N -0.38 1.38 -4.37 9.60 3.01 -1.26 -4.92 117.46 120.51 2gcx n PHE 3 Ca 0.02 0.12 -0.25 0.00 1.01 0.00 0.00 57.45 58.36 2gcx n PHE 3 Cb 0.66 -2.62 -0.12 0.00 -0.01 0.00 0.00 39.48 37.38 2gcx n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2gcx s THR 4 N 12.25 2.08 -1.15 4.37 -4.23 -1.26 -4.67 115.64 123.03 2gcx s THR 4 Ca 0.99 -1.92 -0.21 0.00 -1.18 0.00 0.00 61.69 59.37 2gcx s THR 4 Cb -0.22 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 2gcx s THR 4 CO 0.26 -0.17 1.78 -2.16 -0.54 0.00 0.00 174.62 173.80 2gcx s PRO 5 N -2.59 3.20 0.00 3.99 0.04 -1.26 -3.36 135.00 135.03 2gcx s PRO 5 Ca 0.17 -1.30 0.00 0.00 0.04 0.00 0.00 61.00 59.91 2gcx s PRO 5 Cb -0.07 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.13 2gcx s PRO 5 CO 0.08 -2.99 0.00 -3.47 0.04 0.00 0.00 177.00 170.66 2gcx n ASP 6 N 11.32 0.00 -4.98 6.66 -0.08 -1.26 -4.98 116.55 123.23 2gcx n ASP 6 Ca 0.43 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.52 2gcx n ASP 6 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 5.88 0.27 1.67 0.01 -1.21 -4.92 113.70 115.39 2gcx s SER 7 Ca 0.00 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.22 2gcx s SER 7 Cb 0.00 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2gcx s SER 7 CO 0.00 -0.55 0.23 0.00 0.41 0.00 0.00 173.24 173.33 2gcx s ALA 8 N -2.29 3.67 0.12 1.44 0.00 -1.26 -3.49 121.76 119.94 2gcx s ALA 8 Ca 0.47 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2gcx s ALA 8 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2gcx s ALA 8 CO 0.33 0.20 0.05 -1.58 0.00 0.00 0.00 175.76 174.76 2gcx s TRP 9 N -2.15 0.83 -0.11 0.00 0.52 -0.91 -4.52 118.94 112.60 2gcx s TRP 9 Ca 0.35 -1.22 -0.04 0.00 0.02 0.00 0.00 56.10 55.21 2gcx s TRP 9 Cb -0.08 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 2gcx s TRP 9 CO 0.26 -0.50 0.04 0.21 0.02 0.00 0.00 176.95 176.97 2gcx s LYS 10 N -4.04 3.25 -0.03 4.98 2.20 0.13 -1.98 119.74 124.26 2gcx s LYS 10 Ca 0.23 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.29 2gcx s LYS 10 Cb 0.08 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 2gcx s LYS 10 CO 0.01 0.65 0.63 0.42 -0.36 0.00 0.00 175.35 176.69 2gcx s ILE 11 N -0.71 4.96 -0.34 5.43 1.01 0.12 -2.02 121.20 129.65 2gcx s ILE 11 Ca 0.12 1.31 0.16 0.00 0.00 0.00 0.00 60.65 62.23 2gcx s ILE 11 Cb -0.12 -3.97 0.43 0.00 0.01 0.00 0.00 42.46 38.81 2gcx s ILE 11 CO 0.02 0.35 0.94 0.41 0.00 0.00 0.00 174.94 176.67 2gcx n THR 12 N 3.14 0.62 -1.51 2.92 -1.04 0.37 0.17 114.28 118.94 2gcx n THR 12 Ca -0.05 -3.21 -0.27 0.00 -2.04 0.00 0.00 64.05 58.48 2gcx n THR 12 Cb 0.51 0.52 -0.16 0.00 -1.82 0.00 0.00 70.33 69.38 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 -0.02 -0.38 2.63 3.41 0.00 -1.24 -1.51 105.19 108.08 2gcx n GLY 13 Ca 0.11 0.42 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 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 6.04 -0.00 0.37 1.61 2.19 -1.26 -4.77 117.98 122.16 2gcx s PHE 14 Ca 1.23 -0.52 0.03 0.00 0.33 0.00 0.00 56.93 58.01 2gcx s PHE 14 Cb -0.77 -0.70 0.03 0.00 -1.31 0.00 0.00 43.02 40.27 2gcx s PHE 14 CO 0.44 -0.82 0.26 0.43 1.83 0.00 0.00 175.22 177.35 2gcx n SER 15 N 5.28 2.24 0.21 6.13 7.64 -1.26 -4.37 113.62 129.50 2gcx n SER 15 Ca -0.05 -2.30 0.09 0.00 1.01 0.00 0.00 58.87 57.62 2gcx n SER 15 Cb 0.44 -0.01 0.33 0.00 -1.01 0.00 0.00 64.21 63.97 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 -3.39 114.38 110.43 2gcx h ARG 16 Ca -0.24 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.13 2gcx h ARG 16 Cb 0.87 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.75 2gcx h ARG 16 CO 0.38 0.22 -0.12 -3.47 0.00 0.00 0.00 179.97 176.99 2gcx n ASP 17 N -3.26 -0.98 -4.56 7.04 2.03 -1.26 -5.12 116.55 110.44 2gcx n ASP 17 Ca 0.01 -1.75 -0.57 0.00 0.52 0.00 0.00 54.79 53.01 2gcx n ASP 17 Cb 0.50 0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 41.37 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 -0.75 0.20 -1.59 5.18 3.06 -1.26 -4.91 119.36 119.29 2gcx n ILE 18 Ca -0.12 -0.10 -0.32 0.00 -2.50 0.00 0.00 62.75 59.71 2gcx n ILE 18 Cb 0.71 -1.18 0.06 0.00 0.54 0.00 0.00 39.64 39.77 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 5.04 5.01 0.56 9.51 0.01 -1.26 -4.86 113.70 127.71 2gcx s SER 19 Ca 1.06 1.86 0.24 0.00 1.31 0.00 0.00 55.95 60.42 2gcx s SER 19 Cb -1.11 -2.53 1.58 0.00 0.21 0.00 0.00 66.02 64.17 2gcx s SER 19 CO 0.62 -1.69 2.20 1.55 0.41 0.00 0.00 173.24 176.33 2gcx h PRO 20 N -0.43 0.00 -0.81 12.44 0.13 -1.97 -2.46 132.00 138.90 2gcx h PRO 20 Ca -0.45 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.86 2gcx h PRO 20 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2gcx h PRO 20 CO 0.54 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.61 2gcx h ALA 21 N 1.99 1.18 0.16 -0.56 0.00 -1.99 1.42 119.26 121.47 2gcx h ALA 21 Ca 0.01 0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.72 2gcx h ALA 21 Cb 0.03 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2gcx h ALA 21 CO -0.00 -0.29 -1.76 1.88 0.00 0.00 0.00 179.25 179.08 2gcx h TYR 22 N 0.38 0.62 0.42 0.00 -1.99 -1.83 -3.37 116.97 111.21 2gcx h TYR 22 Ca 0.47 -0.46 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 2gcx h TYR 22 Cb 0.82 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.53 2gcx h TYR 22 CO -0.19 1.63 -0.20 -0.09 -0.00 0.00 0.00 178.16 179.31 2gcx h ARG 23 N 0.09 -0.55 -1.83 4.88 9.65 -1.03 -3.10 114.38 122.50 2gcx h ARG 23 Ca -0.34 0.04 0.54 0.00 -1.10 0.00 0.00 59.98 59.12 2gcx h ARG 23 Cb 2.08 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 30.70 2gcx h ARG 23 CO 0.16 -0.24 1.31 1.96 2.80 0.00 0.00 179.97 185.96 2gcx h GLN 24 N -0.96 0.01 0.28 0.20 1.08 0.17 0.45 115.11 116.33 2gcx h GLN 24 Ca -0.06 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2gcx h GLN 24 Cb 0.56 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2gcx h GLN 24 CO 0.10 0.00 -0.13 0.87 -0.95 0.00 0.00 178.83 178.71 2gcx h LYS 25 N 0.01 -0.36 -0.13 1.46 1.79 -1.69 -2.65 116.57 114.99 2gcx h LYS 25 Ca 0.90 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 59.43 2gcx h LYS 25 Cb 3.52 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 34.20 2gcx h LYS 25 CO -0.07 -0.02 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.06 2gcx h LEU 26 N -0.80 -0.47 -0.84 2.94 3.38 -0.16 -1.85 115.31 117.52 2gcx h LEU 26 Ca -0.04 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2gcx h LEU 26 Cb 0.51 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 2gcx h LEU 26 CO 0.06 -0.19 0.34 -0.07 0.09 0.00 0.00 178.44 178.67 2gcx h LEU 27 N -0.18 0.28 -0.22 1.67 3.38 -1.38 0.45 115.31 119.31 2gcx h LEU 27 Ca 0.10 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2gcx h LEU 27 Cb 0.32 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2gcx h LEU 27 CO -0.24 0.04 -0.12 -1.28 0.09 0.00 0.00 178.44 176.93 2gcx h SER 28 N 0.41 -0.38 1.05 -0.43 0.87 -0.96 -1.03 113.55 113.08 2gcx h SER 28 Ca 0.49 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 61.09 2gcx h SER 28 Cb 0.86 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2gcx h SER 28 CO -0.48 -0.15 -0.25 -0.07 -0.53 0.00 0.00 176.83 175.35 2gcx h LEU 29 N -0.09 0.00 0.00 2.23 3.38 -0.89 -3.47 115.31 116.47 2gcx h LEU 29 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2gcx h LEU 29 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gcx h LEU 29 CO -0.28 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2gcx n GLY 30 N 0.33 0.85 3.40 0.83 0.00 0.14 -5.03 105.19 105.71 2gcx n GLY 30 Ca 0.01 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.51 3.66 0.40 1.61 -1.94 -0.63 -4.96 119.30 116.92 2gcx s MET 31 Ca 0.00 -2.17 -0.01 0.00 -1.71 0.00 0.00 55.69 51.80 2gcx s MET 31 Cb 0.00 -4.71 -0.03 0.00 2.01 0.00 0.00 34.83 32.10 2gcx s MET 31 CO 0.00 -1.55 0.63 -0.51 -0.01 0.00 0.00 175.02 173.58 2gcx s LEU 32 N 1.38 3.85 -0.65 -0.03 1.02 -1.26 -4.47 118.68 118.52 2gcx s LEU 32 Ca 0.27 0.56 -0.35 0.00 0.02 0.00 0.00 54.13 54.64 2gcx s LEU 32 Cb -0.07 -3.45 -0.17 0.00 0.02 0.00 0.00 46.19 42.52 2gcx s LEU 32 CO -0.09 -0.43 2.40 -2.65 0.02 0.00 0.00 176.35 175.60 2gcx n PRO 33 N -1.96 0.38 0.00 1.29 -0.02 -1.26 -3.21 135.00 130.21 2gcx n PRO 33 Ca -0.02 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2gcx n PRO 33 Cb 0.56 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 6.72 0.94 3.68 -1.23 0.00 0.44 -4.93 105.19 110.80 2gcx n GLY 34 Ca 0.54 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.10 4.09 -0.03 1.61 0.15 -0.85 -4.89 113.70 113.68 2gcx s SER 35 Ca 0.00 -1.30 0.07 0.00 0.70 0.00 0.00 55.95 55.42 2gcx s SER 35 Cb 0.00 -0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2gcx s SER 35 CO 0.00 -0.53 -0.24 -0.94 1.20 0.00 0.00 173.24 172.74 2gcx s SER 36 N -3.80 3.22 0.14 5.45 1.04 -1.26 0.12 113.70 118.61 2gcx s SER 36 Ca 0.35 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 2gcx s SER 36 Cb 0.07 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.70 2gcx s SER 36 CO 0.18 0.31 0.28 0.72 0.98 0.00 0.00 173.24 175.72 2gcx s PHE 37 N -0.57 0.23 0.12 5.02 -0.71 -0.84 -4.88 117.98 116.35 2gcx s PHE 37 Ca 0.09 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.42 2gcx s PHE 37 Cb -0.11 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2gcx s PHE 37 CO -0.00 -0.68 0.01 -1.58 -1.34 0.00 0.00 175.22 171.63 2gcx s HIS 38 N -3.91 2.97 -0.14 3.49 2.46 -0.81 -2.15 115.29 117.20 2gcx s HIS 38 Ca 0.12 -0.05 -0.18 0.00 0.47 0.00 0.00 55.06 55.42 2gcx s HIS 38 Cb 0.03 -1.50 -0.04 0.00 -0.13 0.00 0.00 32.58 30.94 2gcx s HIS 38 CO -0.05 0.49 0.45 0.08 -2.47 0.00 0.00 174.74 173.25 2gcx s VAL 39 N -1.44 5.20 -0.22 0.89 1.01 -1.23 -1.73 120.40 122.88 2gcx s VAL 39 Ca 0.27 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.21 2gcx s VAL 39 Cb -0.11 -3.79 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 2gcx s VAL 39 CO 0.19 0.32 -0.06 0.52 0.00 0.00 0.00 175.10 176.06 2gcx n VAL 40 N 3.77 1.48 -3.48 2.92 0.31 -0.36 -4.05 118.33 118.93 2gcx n VAL 40 Ca -0.07 -0.68 0.02 0.00 -0.01 0.00 0.00 64.34 63.59 2gcx n VAL 40 Cb 0.51 -1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 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 -2.52 0.16 0.04 5.55 1.70 -1.26 -4.83 118.95 117.80 2gcx s ARG 41 Ca -0.25 0.33 -0.02 0.00 -0.47 0.00 0.00 55.73 55.32 2gcx s ARG 41 Cb 0.08 0.12 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2gcx s ARG 41 CO 0.69 -0.04 -0.00 0.08 -1.08 0.00 0.00 175.30 174.95 2gcx s VAL 42 N 1.64 0.17 -0.03 4.99 1.01 -1.26 -3.83 120.40 123.09 2gcx s VAL 42 Ca -0.05 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 2gcx s VAL 42 Cb -0.03 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2gcx s VAL 42 CO -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 175.10 174.19 2gcx s ALA 43 N -2.99 0.31 0.35 5.51 0.00 -1.26 -4.81 121.76 118.88 2gcx s ALA 43 Ca -0.02 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.15 2gcx s ALA 43 Cb 0.01 -0.37 0.70 0.00 0.00 0.00 0.00 23.12 23.46 2gcx s ALA 43 CO -0.07 -0.15 1.95 -1.35 0.00 0.00 0.00 175.76 176.15 2gcx h PRO 44 N 7.46 0.79 -0.45 0.00 0.11 -1.98 -2.36 132.00 135.56 2gcx h PRO 44 Ca -0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2gcx h PRO 44 Cb 1.13 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2gcx h PRO 44 CO 0.43 0.52 0.27 1.25 -0.21 0.00 0.00 178.00 180.26 2gcx h LEU 45 N 0.81 0.54 0.00 2.35 5.85 -2.03 -3.47 115.31 119.36 2gcx h LEU 45 Ca 0.33 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2gcx h LEU 45 Cb 0.24 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2gcx h LEU 45 CO -0.11 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.03 2gcx n GLY 46 N -1.10 2.16 3.47 3.75 0.00 -0.89 -5.19 105.19 107.40 2gcx n GLY 46 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.05 -0.21 1.61 1.01 -1.25 -4.99 116.67 112.89 2gcx s ASP 47 Ca 0.00 -1.10 -0.25 0.00 0.71 0.00 0.00 52.55 51.91 2gcx s ASP 47 Cb 0.00 0.54 -0.01 0.00 1.01 0.00 0.00 42.92 44.46 2gcx s ASP 47 CO 0.00 -1.07 0.85 -2.16 0.21 0.00 0.00 175.17 173.00 2gcx s PRO 48 N -3.98 4.24 0.20 8.23 0.05 -1.26 -4.10 135.00 138.36 2gcx s PRO 48 Ca 0.28 1.00 0.06 0.00 0.05 0.00 0.00 61.00 62.39 2gcx s PRO 48 Cb 0.01 -3.61 -0.04 0.00 0.05 0.00 0.00 34.50 30.91 2gcx s PRO 48 CO 0.11 -0.45 0.13 0.54 0.05 0.00 0.00 177.00 177.38 2gcx s VAL 49 N 2.58 4.33 -0.08 -0.36 0.11 -0.65 -4.83 120.40 121.50 2gcx s VAL 49 Ca 0.37 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.19 2gcx s VAL 49 Cb -0.16 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 2gcx s VAL 49 CO 0.09 -0.20 -0.20 -1.00 -3.33 0.00 0.00 175.10 170.46 2gcx s HIS 50 N -1.89 2.17 -0.12 1.54 3.76 -1.25 -0.25 115.29 119.24 2gcx s HIS 50 Ca 0.31 -0.83 -0.05 0.00 -0.15 0.00 0.00 55.06 54.34 2gcx s HIS 50 Cb -0.09 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 2gcx s HIS 50 CO 0.23 -0.34 0.07 0.96 -0.85 0.00 0.00 174.74 174.81 2gcx s ILE 51 N 0.37 4.87 -0.23 0.60 -4.36 0.38 -1.22 121.20 121.59 2gcx s ILE 51 Ca -0.15 -0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.14 2gcx s ILE 51 Cb -0.16 -3.11 -0.03 0.00 1.25 0.00 0.00 42.46 40.40 2gcx s ILE 51 CO 0.07 0.57 0.04 -0.70 0.24 0.00 0.00 174.94 175.16 2gcx s GLU 52 N -0.59 3.64 0.14 0.37 2.12 -0.70 -0.03 118.70 123.65 2gcx s GLU 52 Ca 0.11 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2gcx s GLU 52 Cb -0.12 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.03 2gcx s GLU 52 CO 0.02 -0.12 0.02 0.25 -0.54 0.00 0.00 175.26 174.89 2gcx n THR 53 N 4.69 0.00 -1.53 -1.70 -2.24 0.19 -1.93 114.28 111.75 2gcx n THR 53 Ca -0.17 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.68 2gcx n THR 53 Cb 0.51 0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.34 0.31 -2.97 -0.78 3.00 -1.26 -1.48 116.66 113.14 2gcx n ARG 54 Ca -0.05 -0.34 -0.20 0.00 -0.00 0.00 0.00 57.85 57.26 2gcx n ARG 54 Cb 0.19 -2.33 0.01 0.00 0.00 0.00 0.00 32.46 30.33 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 7.39 -3.39 -3.34 -0.14 5.12 -1.26 -4.93 116.66 116.11 2gcx n ARG 55 Ca 0.57 0.66 -0.10 0.00 -1.93 0.00 0.00 57.85 57.04 2gcx n ARG 55 Cb 0.28 -5.37 -0.07 0.00 -1.16 0.00 0.00 32.46 26.13 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2gcx s VAL 56 N -2.92 -0.58 -0.45 1.55 1.01 -0.55 -5.12 120.40 113.34 2gcx s VAL 56 Ca 0.24 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2gcx s VAL 56 Cb -0.12 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.39 2gcx s VAL 56 CO 0.30 -0.24 0.45 -0.55 0.00 0.00 0.00 175.10 175.06 2gcx s SER 57 N 2.52 6.18 0.13 3.32 0.15 -1.26 -0.64 113.70 124.10 2gcx s SER 57 Ca 0.11 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 55.87 2gcx s SER 57 Cb -0.14 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2gcx s SER 57 CO -0.24 -0.64 0.19 -0.22 1.20 0.00 0.00 173.24 173.53 2gcx s LEU 58 N 2.05 4.06 -0.14 3.45 2.96 0.96 -4.90 118.68 127.11 2gcx s LEU 58 Ca 0.10 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2gcx s LEU 58 Cb -0.20 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 2gcx s LEU 58 CO 0.11 0.09 -0.09 0.54 -1.32 0.00 0.00 176.35 175.68 2gcx s VAL 59 N -1.67 3.45 -0.03 1.68 0.11 -1.26 0.14 120.40 122.83 2gcx s VAL 59 Ca 0.32 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2gcx s VAL 59 Cb -0.11 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 2gcx s VAL 59 CO 0.26 0.51 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.67 2gcx s LEU 60 N 0.36 1.82 0.25 2.54 1.43 0.65 -4.97 118.68 120.77 2gcx s LEU 60 Ca -0.08 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2gcx s LEU 60 Cb -0.15 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 2gcx s LEU 60 CO 0.04 0.09 0.28 -0.13 0.23 0.00 0.00 176.35 176.86 2gcx s ARG 61 N 0.14 3.16 0.41 1.70 0.52 -1.26 -1.63 118.95 121.98 2gcx s ARG 61 Ca -0.03 -0.93 0.25 0.00 -0.52 0.00 0.00 55.73 54.50 2gcx s ARG 61 Cb -0.09 -2.72 1.33 0.00 0.52 0.00 0.00 34.95 34.00 2gcx s ARG 61 CO 0.01 0.39 1.63 1.57 0.02 0.00 0.00 175.30 178.92 2gcx h LYS 62 N 1.32 0.12 -0.32 3.54 -0.00 -1.97 1.21 116.57 120.47 2gcx h LYS 62 Ca -0.50 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.09 2gcx h LYS 62 Cb 1.24 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 33.42 2gcx h LYS 62 CO 0.60 0.08 -0.05 1.57 -0.00 0.00 0.00 179.45 181.66 2gcx h LYS 63 N 0.13 0.51 0.00 0.07 2.10 -1.95 0.58 116.57 118.01 2gcx h LYS 63 Ca 0.80 -0.12 -0.09 0.00 -2.00 0.00 0.00 60.65 59.24 2gcx h LYS 63 Cb 2.30 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 33.55 2gcx h LYS 63 CO -0.51 0.57 -0.59 0.22 -2.00 0.00 0.00 179.45 177.14 2gcx h ASP 64 N 0.48 0.00 1.29 7.07 1.82 0.10 -3.27 116.42 123.91 2gcx h ASP 64 Ca 0.10 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 2gcx h ASP 64 Cb 0.39 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 2gcx h ASP 64 CO 0.02 0.40 -0.73 -0.07 -1.61 0.00 0.00 179.24 177.25 2gcx h LEU 65 N 0.00 0.00 -1.45 2.28 4.07 -0.68 -3.20 115.31 116.33 2gcx h LEU 65 Ca -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2gcx h LEU 65 Cb 1.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 2gcx h LEU 65 CO 0.05 0.14 -0.19 0.00 -1.08 0.00 0.00 178.44 177.35 2gcx h ALA 66 N 1.86 1.13 0.00 1.53 0.00 -0.95 -3.30 119.26 119.54 2gcx h ALA 66 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2gcx h ALA 66 Cb 1.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2gcx h ALA 66 CO 0.01 0.24 -0.95 1.28 0.00 0.00 0.00 179.25 179.84 2gcx n LEU 67 N -3.51 1.85 -4.75 0.00 4.77 -1.24 -4.95 117.00 109.16 2gcx n LEU 67 Ca -0.01 0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 56.14 2gcx n LEU 67 Cb 0.35 -0.89 0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2gcx n LEU 67 CO 0.32 -0.13 0.83 0.27 -1.33 0.00 0.00 177.39 177.35 2gcx s ILE 68 N -2.35 2.68 -0.06 -0.08 -4.36 -1.21 -3.98 121.20 111.84 2gcx s ILE 68 Ca -0.22 0.41 -0.05 0.00 -0.26 0.00 0.00 60.65 60.53 2gcx s ILE 68 Cb 0.04 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 2gcx s ILE 68 CO 0.38 -0.10 0.15 -0.70 0.24 0.00 0.00 174.94 174.91 2gcx s GLU 69 N -3.40 3.41 0.11 0.37 2.12 -0.57 -4.77 118.70 115.96 2gcx s GLU 69 Ca 0.76 -0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.94 2gcx s GLU 69 Cb -0.29 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2gcx s GLU 69 CO 0.34 0.72 -0.19 -0.51 -0.54 0.00 0.00 175.26 175.08 2gcx s LEU 70 N -1.48 2.63 0.05 2.70 2.01 -1.26 0.14 118.68 123.47 2gcx s LEU 70 Ca 0.21 -0.57 -0.06 0.00 0.01 0.00 0.00 54.13 53.72 2gcx s LEU 70 Cb -0.12 -1.49 -0.01 0.00 0.01 0.00 0.00 46.19 44.57 2gcx s LEU 70 CO 0.11 0.19 0.11 -0.70 1.01 0.00 0.00 176.35 177.07 2gcx s GLU 71 N -2.06 0.64 1.03 1.70 2.56 -0.86 -4.94 118.70 116.77 2gcx s GLU 71 Ca 0.17 -0.82 -0.16 0.00 0.00 0.00 0.00 54.97 54.16 2gcx s GLU 71 Cb -0.10 0.25 0.04 0.00 2.00 0.00 0.00 34.13 36.32 2gcx s GLU 71 CO 0.09 -0.17 0.08 0.00 -0.56 0.00 0.00 175.26 174.70 2gcx n ALA 72 N 0.57 -3.57 -2.71 6.30 0.00 -1.26 -0.69 120.51 119.15 2gcx n ALA 72 Ca -0.18 -0.92 -0.26 0.00 0.00 0.00 0.00 53.44 52.08 2gcx n ALA 72 Cb 0.59 -1.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2gcx n ALA 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gcx s VAL 73 N -2.29 5.14 0.40 0.00 -7.23 -1.26 -4.23 120.40 110.94 2gcx s VAL 73 Ca 0.54 -0.39 -0.24 0.00 -1.81 0.00 0.00 61.98 60.09 2gcx s VAL 73 Cb -0.16 -3.79 -0.09 0.00 0.56 0.00 0.00 36.38 32.90 2gcx s VAL 73 CO 0.68 -0.36 1.04 0.00 -0.31 0.00 0.00 175.10 176.15 2gcx s ALA 74 N -2.08 3.07 0.00 1.32 0.00 -1.26 -5.07 121.76 117.75 2gcx s ALA 74 Ca 0.39 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2gcx s ALA 74 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2gcx s ALA 74 CO 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.89