#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 -1.65 -3.86 0.03 6.02 -1.26 -5.05 117.38 111.61 2gcx n GLN 2 Ca 0.00 -1.92 -0.36 0.00 -0.01 0.00 0.00 57.00 54.71 2gcx n GLN 2 Cb 0.00 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.75 2gcx n GLN 2 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gcx s PHE 3 N -3.61 3.19 0.19 1.08 0.08 -1.26 -5.10 117.98 112.55 2gcx s PHE 3 Ca 0.72 -1.54 0.09 0.00 0.12 0.00 0.00 56.93 56.31 2gcx s PHE 3 Cb -0.03 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2gcx s PHE 3 CO 0.51 -0.73 -0.06 0.95 -0.10 0.00 0.00 175.22 175.79 2gcx s THR 4 N 1.35 3.36 -0.93 0.64 -4.23 -1.26 -4.64 115.64 109.92 2gcx s THR 4 Ca -0.02 -1.63 -0.24 0.00 -1.18 0.00 0.00 61.69 58.62 2gcx s THR 4 Cb -0.18 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2gcx s THR 4 CO -0.01 -0.15 1.89 -2.16 -0.54 0.00 0.00 174.62 173.66 2gcx s PRO 5 N -2.97 2.68 0.00 3.99 0.04 -1.26 -3.40 135.00 134.08 2gcx s PRO 5 Ca 0.26 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.88 2gcx s PRO 5 Cb -0.09 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2gcx s PRO 5 CO 0.17 -3.27 0.00 -3.47 0.04 0.00 0.00 177.00 170.47 2gcx n ASP 6 N 13.39 0.00 -4.86 6.66 -0.08 -1.26 -5.00 116.55 125.40 2gcx n ASP 6 Ca 0.40 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.32 2gcx n ASP 6 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.88 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 -1.03 6.67 0.54 1.67 0.01 -1.22 -5.01 113.70 115.34 2gcx s SER 7 Ca 0.00 0.82 -0.08 0.00 1.31 0.00 0.00 55.95 58.01 2gcx s SER 7 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2gcx s SER 7 CO 0.00 0.21 0.89 0.00 0.41 0.00 0.00 173.24 174.75 2gcx s ALA 8 N -1.33 3.27 0.16 1.44 0.00 -1.26 -4.11 121.76 119.93 2gcx s ALA 8 Ca 0.31 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 2gcx s ALA 8 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2gcx s ALA 8 CO 0.17 -0.51 0.32 -1.58 0.00 0.00 0.00 175.76 174.16 2gcx s TRP 9 N -2.94 0.23 -0.08 0.00 0.52 -0.93 -4.36 118.94 111.39 2gcx s TRP 9 Ca 0.51 -0.60 0.02 0.00 0.02 0.00 0.00 56.10 56.05 2gcx s TRP 9 Cb -0.11 0.05 -0.02 0.00 -1.15 0.00 0.00 33.47 32.24 2gcx s TRP 9 CO 0.49 -0.73 -0.14 0.15 0.02 0.00 0.00 176.95 176.74 2gcx s LYS 10 N -3.93 2.80 0.12 4.98 1.02 -0.12 -0.81 119.74 123.81 2gcx s LYS 10 Ca 0.13 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 2gcx s LYS 10 Cb 0.03 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 2gcx s LYS 10 CO -0.03 0.48 1.02 0.42 -0.92 0.00 0.00 175.35 176.33 2gcx s ILE 11 N -0.36 4.29 -0.40 2.17 1.01 0.60 -1.25 121.20 127.27 2gcx s ILE 11 Ca 0.04 1.89 0.12 0.00 0.00 0.00 0.00 60.65 62.69 2gcx s ILE 11 Cb -0.12 -4.20 0.37 0.00 0.01 0.00 0.00 42.46 38.51 2gcx s ILE 11 CO 0.02 0.28 0.82 0.41 0.00 0.00 0.00 174.94 176.47 2gcx n THR 12 N 2.80 0.61 -1.55 2.92 -1.04 0.73 0.14 114.28 118.90 2gcx n THR 12 Ca 0.03 -4.49 -0.14 0.00 -2.04 0.00 0.00 64.05 57.42 2gcx n THR 12 Cb 0.48 -0.31 -0.09 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.11 -0.25 2.74 3.41 0.00 -1.24 -1.16 105.19 108.80 2gcx n GLY 13 Ca 0.24 0.24 -0.18 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 14.29 -0.30 0.29 1.61 5.36 -1.26 -4.61 117.98 133.36 2gcx s PHE 14 Ca 0.91 -0.59 0.05 0.00 -0.96 0.00 0.00 56.93 56.34 2gcx s PHE 14 Cb -0.15 -0.47 0.05 0.00 -0.34 0.00 0.00 43.02 42.10 2gcx s PHE 14 CO 0.14 -0.94 0.38 0.43 -1.46 0.00 0.00 175.22 173.77 2gcx n SER 15 N 4.72 1.18 0.06 6.13 7.64 -1.26 -4.39 113.62 127.70 2gcx n SER 15 Ca 0.05 -1.81 -0.01 0.00 1.01 0.00 0.00 58.87 58.11 2gcx n SER 15 Cb 0.45 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.99 -3.38 114.38 110.44 2gcx h ARG 16 Ca -0.14 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.17 2gcx h ARG 16 Cb 0.64 0.00 -0.34 0.00 0.00 0.00 0.00 29.97 30.27 2gcx h ARG 16 CO 0.21 0.46 -0.91 -0.40 0.00 0.00 0.00 179.97 179.33 2gcx n ASP 17 N -3.06 0.68 -4.70 7.04 5.75 -1.26 -5.10 116.55 115.91 2gcx n ASP 17 Ca -0.06 -1.99 -0.63 0.00 -0.01 0.00 0.00 54.79 52.10 2gcx n ASP 17 Cb 0.85 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.41 0.14 -2.25 2.12 3.06 -1.26 -4.92 119.36 116.66 2gcx n ILE 18 Ca 0.01 -0.03 -0.31 0.00 -2.50 0.00 0.00 62.75 59.91 2gcx n ILE 18 Cb 1.07 -0.84 -0.02 0.00 0.54 0.00 0.00 39.64 40.39 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 3.55 6.47 0.50 9.51 1.04 -1.26 -4.88 113.70 128.63 2gcx s SER 19 Ca 1.03 1.47 0.17 0.00 0.48 0.00 0.00 55.95 59.10 2gcx s SER 19 Cb -1.30 -2.47 1.23 0.00 0.10 0.00 0.00 66.02 63.57 2gcx s SER 19 CO 0.73 -0.67 2.08 1.55 0.98 0.00 0.00 173.24 177.92 2gcx h PRO 20 N 0.49 0.10 -0.69 4.02 0.13 -1.96 -1.46 132.00 132.63 2gcx h PRO 20 Ca -0.46 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 2gcx h PRO 20 Cb 1.19 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2gcx h PRO 20 CO 0.62 0.07 0.19 0.00 -0.23 0.00 0.00 178.00 178.64 2gcx h ALA 21 N 1.88 0.88 0.14 -0.56 0.00 -1.96 1.35 119.26 120.98 2gcx h ALA 21 Ca 0.11 0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.83 2gcx h ALA 21 Cb 0.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2gcx h ALA 21 CO -0.01 -0.29 -1.69 1.88 0.00 0.00 0.00 179.25 179.14 2gcx h TYR 22 N 0.31 0.55 0.43 0.00 -1.99 -1.82 -3.20 116.97 111.24 2gcx h TYR 22 Ca 0.38 -0.40 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 2gcx h TYR 22 Cb 0.59 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.30 2gcx h TYR 22 CO -0.23 1.53 -0.20 -0.09 -0.00 0.00 0.00 178.16 179.16 2gcx h ARG 23 N 0.08 -0.55 -0.02 4.88 9.65 -0.76 -3.03 114.38 124.63 2gcx h ARG 23 Ca -0.31 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 2gcx h ARG 23 Cb 2.05 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 30.76 2gcx h ARG 23 CO 0.16 -0.37 0.18 0.37 2.80 0.00 0.00 179.97 183.10 2gcx h GLN 24 N -1.00 0.00 0.02 0.20 5.75 0.16 -1.78 115.11 118.46 2gcx h GLN 24 Ca -0.06 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2gcx h GLN 24 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2gcx h GLN 24 CO 0.10 0.00 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.05 2gcx h LYS 25 N 0.00 -0.03 -0.77 1.69 3.64 -1.54 -3.20 116.57 116.35 2gcx h LYS 25 Ca 0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2gcx h LYS 25 Cb 0.36 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2gcx h LYS 25 CO -0.00 0.45 0.50 -0.07 -2.27 0.00 0.00 179.45 178.06 2gcx h LEU 26 N -0.52 0.89 -2.06 5.20 3.38 -1.21 -1.49 115.31 119.51 2gcx h LEU 26 Ca -0.00 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2gcx h LEU 26 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2gcx h LEU 26 CO 0.01 0.65 0.36 -0.07 0.09 0.00 0.00 178.44 179.48 2gcx h LEU 27 N 1.05 0.00 -0.66 1.67 3.38 -1.50 -0.63 115.31 118.61 2gcx h LEU 27 Ca 0.28 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.37 2gcx h LEU 27 Cb -0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 2gcx h LEU 27 CO -0.06 0.00 0.23 0.28 0.09 0.00 0.00 178.44 178.98 2gcx h SER 28 N 0.00 0.18 0.27 -0.43 0.02 -1.31 -2.51 113.55 109.77 2gcx h SER 28 Ca 0.16 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 2gcx h SER 28 Cb 0.88 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2gcx h SER 28 CO -0.00 0.09 -1.82 0.18 -1.14 0.00 0.00 176.83 174.14 2gcx n LEU 29 N -5.03 0.27 0.00 5.07 7.99 -0.59 -4.99 117.00 119.72 2gcx n LEU 29 Ca 0.11 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2gcx n LEU 29 Cb 0.34 0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2gcx n LEU 29 CO 0.19 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 2gcx n GLY 30 N 1.36 1.45 3.51 -0.72 0.00 -0.35 -5.04 105.19 105.40 2gcx n GLY 30 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.34 3.60 0.26 1.61 -1.94 -0.93 -4.96 119.30 116.61 2gcx s MET 31 Ca 0.00 -1.42 0.02 0.00 -1.71 0.00 0.00 55.69 52.58 2gcx s MET 31 Cb 0.00 -5.17 -0.03 0.00 2.01 0.00 0.00 34.83 31.64 2gcx s MET 31 CO 0.00 -2.02 0.43 -0.51 -0.01 0.00 0.00 175.02 172.91 2gcx s LEU 32 N 3.96 4.20 -0.45 -0.03 1.02 -1.26 -4.58 118.68 121.54 2gcx s LEU 32 Ca 0.40 0.28 -0.39 0.00 0.02 0.00 0.00 54.13 54.45 2gcx s LEU 32 Cb -0.02 -3.08 -0.15 0.00 0.02 0.00 0.00 46.19 42.95 2gcx s LEU 32 CO -0.10 -0.13 2.20 -2.65 0.02 0.00 0.00 176.35 175.69 2gcx n PRO 33 N -1.32 0.56 0.00 1.29 -0.02 -1.26 -2.63 135.00 131.62 2gcx n PRO 33 Ca -0.06 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2gcx n PRO 33 Cb 0.56 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 6.95 2.00 4.00 -1.23 0.00 0.38 -4.93 105.19 112.36 2gcx n GLY 34 Ca 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 5.12 0.03 1.61 0.15 -0.77 -4.86 113.70 112.98 2gcx s SER 35 Ca 0.00 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.30 2gcx s SER 35 Cb 0.00 -0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 2gcx s SER 35 CO 0.00 -1.26 -0.24 -0.94 1.20 0.00 0.00 173.24 171.99 2gcx s SER 36 N -4.54 2.92 0.26 5.45 1.04 -1.26 -0.29 113.70 117.27 2gcx s SER 36 Ca 0.60 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 2gcx s SER 36 Cb -0.08 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2gcx s SER 36 CO 0.38 0.24 0.47 2.22 0.98 0.00 0.00 173.24 177.54 2gcx n PHE 37 N 1.94 -1.70 -3.82 5.02 -1.74 0.01 -4.79 117.46 112.39 2gcx n PHE 37 Ca -0.17 -1.34 -0.14 0.00 -0.56 0.00 0.00 57.45 55.24 2gcx n PHE 37 Cb 0.52 0.55 -0.15 0.00 1.52 0.00 0.00 39.48 41.92 2gcx n PHE 37 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 2gcx s HIS 38 N -4.21 0.01 0.28 2.97 2.46 -0.68 -2.18 115.29 113.94 2gcx s HIS 38 Ca 0.13 0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.44 2gcx s HIS 38 Cb -0.03 -0.12 -0.10 0.00 -0.13 0.00 0.00 32.58 32.20 2gcx s HIS 38 CO 0.10 -0.05 1.43 0.08 -2.47 0.00 0.00 174.74 173.83 2gcx s VAL 39 N 0.56 2.57 -0.18 0.89 1.01 -1.26 -0.56 120.40 123.42 2gcx s VAL 39 Ca -0.05 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2gcx s VAL 39 Cb -0.07 -3.32 -0.22 0.00 0.00 0.00 0.00 36.38 32.77 2gcx s VAL 39 CO -0.02 0.09 0.11 0.52 0.00 0.00 0.00 175.10 175.81 2gcx n VAL 40 N 1.84 1.66 -3.45 2.92 0.31 -0.35 -4.40 118.33 116.86 2gcx n VAL 40 Ca 0.05 -0.59 0.02 0.00 -0.01 0.00 0.00 64.34 63.81 2gcx n VAL 40 Cb 0.40 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.53 0.14 0.07 5.55 1.70 -1.26 -4.83 118.95 117.79 2gcx s ARG 41 Ca -0.28 0.30 0.01 0.00 -0.47 0.00 0.00 55.73 55.29 2gcx s ARG 41 Cb 0.08 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 2gcx s ARG 41 CO 0.69 -0.04 -0.05 0.08 -1.08 0.00 0.00 175.30 174.90 2gcx s VAL 42 N 1.69 0.48 0.19 4.99 1.01 -1.26 -4.10 120.40 123.39 2gcx s VAL 42 Ca -0.04 -1.65 0.10 0.00 0.00 0.00 0.00 61.98 60.38 2gcx s VAL 42 Cb -0.03 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2gcx s VAL 42 CO -0.14 -0.79 -0.16 0.00 0.00 0.00 0.00 175.10 174.01 2gcx s ALA 43 N -3.11 2.77 -0.21 5.51 0.00 -1.26 -4.80 121.76 120.65 2gcx s ALA 43 Ca 0.04 -1.56 0.28 0.00 0.00 0.00 0.00 51.96 50.73 2gcx s ALA 43 Cb 0.02 -0.55 0.89 0.00 0.00 0.00 0.00 23.12 23.48 2gcx s ALA 43 CO -0.05 0.44 1.80 -1.00 0.00 0.00 0.00 175.76 176.96 2gcx h PRO 44 N 3.01 0.00 0.00 0.00 0.13 -2.00 -3.36 132.00 129.77 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 0.52 0.00 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.11 2gcx h LEU 45 N 0.00 0.00 0.00 1.56 3.38 -2.03 -3.50 115.31 114.72 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 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2gcx h LEU 45 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2gcx n GLY 46 N 1.75 0.32 3.47 0.83 0.00 -1.26 -5.19 105.19 105.11 2gcx n GLY 46 Ca -0.02 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 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 0.12 -0.24 1.61 1.11 -1.26 -5.00 116.67 113.01 2gcx s ASP 47 Ca 0.00 -1.13 -0.25 0.00 0.18 0.00 0.00 52.55 51.34 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 -1.09 0.87 -2.16 1.18 0.00 0.00 175.17 173.97 2gcx s PRO 48 N -3.91 4.20 0.13 8.23 0.05 -1.26 -4.32 135.00 138.11 2gcx s PRO 48 Ca 0.28 1.02 0.04 0.00 0.05 0.00 0.00 61.00 62.39 2gcx s PRO 48 Cb 0.01 -3.64 -0.04 0.00 0.05 0.00 0.00 34.50 30.88 2gcx s PRO 48 CO 0.12 -0.54 0.09 0.54 0.05 0.00 0.00 177.00 177.26 2gcx s VAL 49 N 2.90 4.40 -0.10 -0.36 0.11 -0.12 -4.90 120.40 122.33 2gcx s VAL 49 Ca 0.37 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2gcx s VAL 49 Cb -0.15 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 2gcx s VAL 49 CO 0.07 -0.01 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.78 2gcx s HIS 50 N -1.59 2.98 0.09 1.54 3.76 -1.26 0.88 115.29 121.70 2gcx s HIS 50 Ca 0.30 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 54.99 2gcx s HIS 50 Cb -0.11 -1.81 -0.06 0.00 1.11 0.00 0.00 32.58 31.71 2gcx s HIS 50 CO 0.22 0.18 0.41 0.96 -0.85 0.00 0.00 174.74 175.67 2gcx s ILE 51 N -0.34 5.07 -0.37 0.60 -4.36 0.94 -1.21 121.20 121.54 2gcx s ILE 51 Ca 0.05 0.48 -0.09 0.00 -0.26 0.00 0.00 60.65 60.83 2gcx s ILE 51 Cb -0.12 -3.65 0.04 0.00 1.25 0.00 0.00 42.46 39.97 2gcx s ILE 51 CO 0.02 0.28 0.18 -0.70 0.24 0.00 0.00 174.94 174.96 2gcx s GLU 52 N -1.93 2.70 0.01 0.37 2.12 0.27 -0.82 118.70 121.42 2gcx s GLU 52 Ca 0.34 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2gcx s GLU 52 Cb -0.14 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2gcx s GLU 52 CO 0.18 -0.73 0.00 0.25 -0.54 0.00 0.00 175.26 174.43 2gcx n THR 53 N 4.91 0.00 -1.52 -1.70 -2.24 0.37 -1.69 114.28 112.40 2gcx n THR 53 Ca -0.12 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2gcx n THR 53 Cb 0.45 -0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.28 0.39 -3.02 -0.78 3.00 -1.26 -1.79 116.66 112.92 2gcx n ARG 54 Ca -0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 57.85 57.56 2gcx n ARG 54 Cb 0.01 -2.32 -0.01 0.00 0.00 0.00 0.00 32.46 30.14 2gcx n ARG 54 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2gcx n ARG 55 N 8.15 -2.68 -3.56 -0.14 1.85 -1.26 -4.89 116.66 114.14 2gcx n ARG 55 Ca 0.55 0.31 -0.09 0.00 -1.00 0.00 0.00 57.85 57.61 2gcx n ARG 55 Cb 0.27 -4.90 -0.09 0.00 -1.05 0.00 0.00 32.46 26.68 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 -2.59 -0.62 -0.39 8.89 1.01 -0.74 -5.13 120.40 120.84 2gcx s VAL 56 Ca 0.23 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2gcx s VAL 56 Cb -0.13 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.58 2gcx s VAL 56 CO 0.29 0.01 0.24 -0.94 0.00 0.00 0.00 175.10 174.70 2gcx s SER 57 N 2.58 5.86 0.52 3.32 1.04 -1.26 -0.48 113.70 125.28 2gcx s SER 57 Ca 0.03 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.52 2gcx s SER 57 Cb -0.13 -2.07 0.03 0.00 0.10 0.00 0.00 66.02 63.96 2gcx s SER 57 CO -0.13 -0.41 0.73 -0.76 0.98 0.00 0.00 173.24 173.64 2gcx s LEU 58 N 1.59 3.36 -0.03 2.42 1.43 -0.00 -4.88 118.68 122.58 2gcx s LEU 58 Ca 0.03 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2gcx s LEU 58 Cb -0.19 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 2gcx s LEU 58 CO 0.08 -1.08 -0.15 0.54 0.23 0.00 0.00 176.35 175.96 2gcx s VAL 59 N -2.65 2.97 -0.07 -1.59 0.11 -1.26 -0.04 120.40 117.86 2gcx s VAL 59 Ca 0.57 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 2gcx s VAL 59 Cb -0.10 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.61 2gcx s VAL 59 CO 0.37 0.55 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.92 2gcx s LEU 60 N -0.85 0.67 0.00 2.54 1.43 0.26 -4.90 118.68 117.82 2gcx s LEU 60 Ca 0.12 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2gcx s LEU 60 Cb -0.11 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2gcx s LEU 60 CO 0.01 -0.18 0.00 0.54 0.23 0.00 0.00 176.35 176.95 2gcx n ARG 61 N 5.04 -1.11 0.10 1.70 5.12 -1.26 -0.95 116.66 125.30 2gcx n ARG 61 Ca -0.09 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.64 2gcx n ARG 61 Cb 0.50 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.65 2gcx n ARG 61 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2gcx h LYS 62 N 0.00 0.34 0.06 5.56 6.56 -1.97 -3.36 116.57 123.76 2gcx h LYS 62 Ca 0.00 -0.59 -0.29 0.00 -1.06 0.00 0.00 60.65 58.71 2gcx h LYS 62 Cb 0.00 0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 2gcx h LYS 62 CO 0.00 1.26 -1.54 1.57 -2.06 0.00 0.00 179.45 178.67 2gcx h LYS 63 N 0.09 0.12 -0.47 3.15 2.10 -1.95 -3.32 116.57 116.30 2gcx h LYS 63 Ca -0.20 -0.21 0.14 0.00 -2.00 0.00 0.00 60.65 58.37 2gcx h LYS 63 Cb 2.04 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 33.43 2gcx h LYS 63 CO 0.21 0.90 0.62 0.22 -2.00 0.00 0.00 179.45 179.39 2gcx h ASP 64 N 0.03 0.00 1.31 7.07 1.82 -1.93 1.10 116.42 125.82 2gcx h ASP 64 Ca -0.23 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.35 2gcx h ASP 64 Cb 1.97 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.98 2gcx h ASP 64 CO 0.12 0.00 -0.71 -0.07 -1.61 0.00 0.00 179.24 176.97 2gcx h LEU 65 N 0.00 0.00 -0.78 2.28 4.07 -1.73 -3.31 115.31 115.84 2gcx h LEU 65 Ca 0.22 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.21 2gcx h LEU 65 Cb 1.45 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.15 2gcx h LEU 65 CO -0.00 0.21 0.50 0.00 -1.08 0.00 0.00 178.44 178.07 2gcx h ALA 66 N 1.79 1.01 0.27 1.53 0.00 0.11 -3.23 119.26 120.75 2gcx h ALA 66 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2gcx h ALA 66 Cb 1.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2gcx h ALA 66 CO 0.02 0.33 -0.13 -0.07 0.00 0.00 0.00 179.25 179.41 2gcx h LEU 67 N 1.00 -0.31 -9.94 0.00 3.38 -1.68 -3.45 115.31 104.30 2gcx h LEU 67 Ca 0.30 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.69 2gcx h LEU 67 Cb -0.03 0.08 0.08 0.00 0.09 0.00 0.00 40.66 40.88 2gcx h LEU 67 CO -0.10 0.17 0.62 0.27 0.09 0.00 0.00 178.44 179.49 2gcx s ILE 68 N -2.91 2.60 0.16 1.22 -4.36 -1.22 -4.03 121.20 112.66 2gcx s ILE 68 Ca -0.07 0.54 -0.08 0.00 -0.26 0.00 0.00 60.65 60.78 2gcx s ILE 68 Cb 0.00 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 40.33 2gcx s ILE 68 CO 0.23 0.08 0.46 -0.70 0.24 0.00 0.00 174.94 175.25 2gcx s GLU 69 N -2.21 3.74 0.26 0.37 2.56 -0.31 -4.81 118.70 118.30 2gcx s GLU 69 Ca 0.56 0.14 0.11 0.00 0.00 0.00 0.00 54.97 55.79 2gcx s GLU 69 Cb -0.38 -2.80 -0.05 0.00 2.00 0.00 0.00 34.13 32.90 2gcx s GLU 69 CO 0.50 0.43 -0.12 -1.17 -0.56 0.00 0.00 175.26 174.33 2gcx s LEU 70 N -2.53 2.83 0.02 2.70 2.96 -1.26 -0.19 118.68 123.21 2gcx s LEU 70 Ca 0.42 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2gcx s LEU 70 Cb -0.12 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2gcx s LEU 70 CO 0.22 0.04 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.54 2gcx s GLU 71 N -3.46 0.35 0.57 1.98 2.56 -0.38 -4.85 118.70 115.46 2gcx s GLU 71 Ca 0.29 -0.53 -0.03 0.00 0.00 0.00 0.00 54.97 54.70 2gcx s GLU 71 Cb -0.06 -0.08 0.02 0.00 2.00 0.00 0.00 34.13 36.01 2gcx s GLU 71 CO 0.16 0.00 0.84 0.00 -0.56 0.00 0.00 175.26 175.71 2gcx s ALA 72 N -1.10 3.52 1.05 6.30 0.00 -1.26 -0.95 121.76 129.31 2gcx s ALA 72 Ca -0.10 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2gcx s ALA 72 Cb -0.08 -2.37 0.16 0.00 0.00 0.00 0.00 23.12 20.83 2gcx s ALA 72 CO -0.00 -0.78 0.79 1.33 0.00 0.00 0.00 175.76 177.09 2gcx n VAL 73 N -2.47 0.00 -4.65 0.00 0.24 -1.26 -4.69 118.33 105.49 2gcx n VAL 73 Ca 0.05 -0.52 -0.29 0.00 -2.04 0.00 0.00 64.34 61.54 2gcx n VAL 73 Cb 0.59 -1.52 -0.10 0.00 -1.47 0.00 0.00 33.84 31.34 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 -3.67 3.43 -2.00 2.33 0.00 -1.26 -5.12 121.76 115.46 2gcx s ALA 74 Ca 0.47 -1.53 0.11 0.00 0.00 0.00 0.00 51.96 51.01 2gcx s ALA 74 Cb -0.02 0.19 0.67 0.00 0.00 0.00 0.00 23.12 23.96 2gcx s ALA 74 CO 0.34 -0.11 1.11 1.04 0.00 0.00 0.00 175.76 178.13