#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 1.45 -0.35 0.03 -2.07 -1.26 -5.13 119.66 112.33 2gcx s GLN 2 Ca 0.00 -1.76 -0.02 0.00 -1.82 0.00 0.00 55.36 51.76 2gcx s GLN 2 Cb 0.00 -0.66 0.08 0.00 -1.09 0.00 0.00 33.01 31.34 2gcx s GLN 2 CO 0.00 -0.14 0.10 -0.06 -1.32 0.00 0.00 175.29 173.86 2gcx s PHE 3 N -3.41 3.45 0.17 9.60 0.40 -1.26 -5.10 117.98 121.82 2gcx s PHE 3 Ca 0.32 -2.17 0.03 0.00 -0.60 0.00 0.00 56.93 54.51 2gcx s PHE 3 Cb 0.07 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 2gcx s PHE 3 CO 0.12 -0.89 0.30 0.95 0.70 0.00 0.00 175.22 176.40 2gcx s THR 4 N 1.18 5.31 -1.01 0.64 -4.23 -1.26 -4.61 115.64 111.66 2gcx s THR 4 Ca 0.02 -0.74 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 2gcx s THR 4 Cb -0.21 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 2gcx s THR 4 CO -0.03 -0.14 1.84 -2.16 -0.54 0.00 0.00 174.62 173.59 2gcx s PRO 5 N -3.39 2.83 0.00 3.99 0.04 -1.26 -3.64 135.00 133.56 2gcx s PRO 5 Ca 0.35 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2gcx s PRO 5 Cb -0.11 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2gcx s PRO 5 CO 0.29 -3.22 0.00 -3.47 0.04 0.00 0.00 177.00 170.64 2gcx n ASP 6 N 12.77 0.00 -4.74 6.66 2.03 -1.26 -4.98 116.55 127.03 2gcx n ASP 6 Ca 0.40 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.31 2gcx n ASP 6 Cb 0.48 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gcx s SER 7 N 0.00 7.37 0.60 1.67 0.01 -1.24 -4.84 113.70 117.27 2gcx s SER 7 Ca 0.00 1.99 -0.13 0.00 1.31 0.00 0.00 55.95 59.11 2gcx s SER 7 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2gcx s SER 7 CO 0.00 -0.14 1.02 0.00 0.41 0.00 0.00 173.24 174.54 2gcx s ALA 8 N -0.27 2.97 0.17 1.44 0.00 -1.26 -4.30 121.76 120.51 2gcx s ALA 8 Ca 0.48 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2gcx s ALA 8 Cb -0.27 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2gcx s ALA 8 CO 0.33 -0.66 0.13 -1.58 0.00 0.00 0.00 175.76 173.99 2gcx s TRP 9 N -2.90 0.92 -0.09 0.00 0.52 -0.92 -4.37 118.94 112.11 2gcx s TRP 9 Ca 0.58 -1.23 0.01 0.00 0.02 0.00 0.00 56.10 55.48 2gcx s TRP 9 Cb -0.12 -0.44 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 2gcx s TRP 9 CO 0.45 -0.62 -0.10 0.15 0.02 0.00 0.00 176.95 176.85 2gcx s LYS 10 N -4.09 2.93 0.16 4.98 1.02 0.21 -1.62 119.74 123.33 2gcx s LYS 10 Ca 0.30 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2gcx s LYS 10 Cb 0.06 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.73 2gcx s LYS 10 CO 0.06 0.50 0.97 0.42 -0.92 0.00 0.00 175.35 176.39 2gcx s ILE 11 N -0.39 4.30 -0.31 2.17 1.01 0.36 -1.63 121.20 126.71 2gcx s ILE 11 Ca 0.05 2.02 0.18 0.00 0.00 0.00 0.00 60.65 62.90 2gcx s ILE 11 Cb -0.12 -4.29 0.46 0.00 0.01 0.00 0.00 42.46 38.52 2gcx s ILE 11 CO 0.02 0.37 1.09 0.41 0.00 0.00 0.00 174.94 176.83 2gcx n THR 12 N 2.34 0.88 -1.53 2.92 -1.04 0.15 0.16 114.28 118.16 2gcx n THR 12 Ca 0.01 -2.68 -0.18 0.00 -2.04 0.00 0.00 64.05 59.16 2gcx n THR 12 Cb 0.48 0.91 -0.14 0.00 -1.82 0.00 0.00 70.33 69.76 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 -0.38 -0.30 2.76 3.41 0.00 -1.22 -1.56 105.19 107.89 2gcx n GLY 13 Ca 0.05 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 8.19 -0.41 0.58 1.61 5.36 -1.26 -4.73 117.98 127.32 2gcx s PHE 14 Ca 1.11 -0.06 0.07 0.00 -0.96 0.00 0.00 56.93 57.08 2gcx s PHE 14 Cb -0.47 -0.43 0.10 0.00 -0.34 0.00 0.00 43.02 41.88 2gcx s PHE 14 CO 0.31 -0.84 0.81 0.43 -1.46 0.00 0.00 175.22 174.46 2gcx n SER 15 N 5.31 1.79 0.18 6.13 7.64 -1.25 -4.42 113.62 129.01 2gcx n SER 15 Ca -0.03 -2.35 0.06 0.00 1.01 0.00 0.00 58.87 57.56 2gcx n SER 15 Cb 0.47 -0.46 0.25 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.08 1.43 -0.00 -1.99 -3.36 114.38 110.39 2gcx h ARG 16 Ca -0.27 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.03 2gcx h ARG 16 Cb 1.17 0.00 -0.20 0.00 0.00 0.00 0.00 29.97 30.94 2gcx h ARG 16 CO 0.36 0.37 -0.44 -3.47 0.00 0.00 0.00 179.97 176.78 2gcx n ASP 17 N -3.36 -0.82 -4.52 7.04 2.03 -1.26 -5.13 116.55 110.54 2gcx n ASP 17 Ca 0.01 -2.16 -0.55 0.00 0.52 0.00 0.00 54.79 52.61 2gcx n ASP 17 Cb 0.57 0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 41.33 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 -1.18 0.34 -3.26 5.18 3.06 -1.26 -4.95 119.36 117.29 2gcx n ILE 18 Ca -0.14 -0.08 -0.27 0.00 -2.50 0.00 0.00 62.75 59.76 2gcx n ILE 18 Cb 0.85 -0.29 -0.02 0.00 0.54 0.00 0.00 39.64 40.73 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 -0.01 6.36 0.46 9.51 0.01 -1.26 -4.91 113.70 123.87 2gcx s SER 19 Ca 0.84 0.64 0.19 0.00 1.31 0.00 0.00 55.95 58.93 2gcx s SER 19 Cb -1.11 -2.11 1.17 0.00 0.21 0.00 0.00 66.02 64.18 2gcx s SER 19 CO 0.54 -0.28 1.95 1.55 0.41 0.00 0.00 173.24 177.40 2gcx h PRO 20 N 1.14 0.26 -0.73 12.44 0.13 -1.96 -0.92 132.00 142.36 2gcx h PRO 20 Ca -0.48 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.79 2gcx h PRO 20 Cb 1.20 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 2gcx h PRO 20 CO 0.64 0.17 0.10 0.00 -0.23 0.00 0.00 178.00 178.68 2gcx h ALA 21 N 1.67 0.86 0.00 -0.56 0.00 -1.97 1.25 119.26 120.52 2gcx h ALA 21 Ca 0.33 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 2gcx h ALA 21 Cb 0.91 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2gcx h ALA 21 CO -0.08 -0.39 -0.77 1.88 0.00 0.00 0.00 179.25 179.90 2gcx h TYR 22 N 0.18 0.00 0.58 0.00 -1.99 -1.73 -3.30 116.97 110.72 2gcx h TYR 22 Ca 0.41 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.11 2gcx h TYR 22 Cb 0.71 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 2gcx h TYR 22 CO -0.33 1.30 -0.45 -0.09 -0.00 0.00 0.00 178.16 178.59 2gcx h ARG 23 N -1.00 -0.95 -1.19 4.88 9.65 -0.93 -2.08 114.38 122.75 2gcx h ARG 23 Ca -0.21 0.07 0.34 0.00 -1.10 0.00 0.00 59.98 59.07 2gcx h ARG 23 Cb 1.19 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.92 2gcx h ARG 23 CO -0.13 -0.64 0.82 0.37 2.80 0.00 0.00 179.97 183.20 2gcx h GLN 24 N -0.99 0.12 0.58 0.20 4.15 0.14 -0.06 115.11 119.24 2gcx h GLN 24 Ca -0.08 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2gcx h GLN 24 Cb 0.82 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2gcx h GLN 24 CO 0.02 0.08 -0.29 -0.22 -1.93 0.00 0.00 178.83 176.49 2gcx h LYS 25 N 0.12 -0.77 -0.50 1.69 3.64 -1.45 -1.68 116.57 117.62 2gcx h LYS 25 Ca 0.61 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 60.06 2gcx h LYS 25 Cb 2.13 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 34.10 2gcx h LYS 25 CO -0.13 -0.51 0.32 -0.07 -2.27 0.00 0.00 179.45 176.79 2gcx h LEU 26 N -0.80 0.54 -0.23 5.20 3.38 -0.83 -2.89 115.31 119.69 2gcx h LEU 26 Ca -0.08 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2gcx h LEU 26 Cb 0.62 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2gcx h LEU 26 CO 0.12 0.39 -0.25 -0.07 0.09 0.00 0.00 178.44 178.72 2gcx h LEU 27 N 0.65 -0.80 -2.00 1.67 3.38 -1.23 0.46 115.31 117.44 2gcx h LEU 27 Ca 0.19 0.14 0.29 0.00 0.09 0.00 0.00 57.88 58.59 2gcx h LEU 27 Cb -0.04 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2gcx h LEU 27 CO -0.06 -0.29 0.72 0.28 0.09 0.00 0.00 178.44 179.19 2gcx h SER 28 N -0.26 0.00 0.59 -0.43 0.02 -1.09 0.41 113.55 112.79 2gcx h SER 28 Ca 0.13 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 2gcx h SER 28 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2gcx h SER 28 CO -0.38 0.00 -1.53 0.18 -1.14 0.00 0.00 176.83 173.95 2gcx n LEU 29 N -4.22 0.71 -0.03 5.07 4.77 0.21 -4.99 117.00 118.51 2gcx n LEU 29 Ca 0.21 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2gcx n LEU 29 Cb 1.07 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 2gcx n LEU 29 CO 0.39 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2gcx n GLY 30 N 1.41 1.23 3.13 -0.72 0.00 0.14 -5.05 105.19 105.34 2gcx n GLY 30 Ca -0.11 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.33 2.91 0.51 1.61 -1.94 -0.88 -5.00 119.30 114.18 2gcx s MET 31 Ca 0.00 -2.74 -0.05 0.00 -1.71 0.00 0.00 55.69 51.18 2gcx s MET 31 Cb 0.00 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.93 2gcx s MET 31 CO 0.00 -1.21 0.82 -0.51 -0.01 0.00 0.00 175.02 174.10 2gcx s LEU 32 N -0.42 3.52 -0.34 -0.03 1.02 -1.26 -4.62 118.68 116.55 2gcx s LEU 32 Ca 0.20 0.88 -0.39 0.00 0.02 0.00 0.00 54.13 54.84 2gcx s LEU 32 Cb -0.15 -3.81 -0.15 0.00 0.02 0.00 0.00 46.19 42.10 2gcx s LEU 32 CO -0.06 -0.70 1.96 -2.65 0.02 0.00 0.00 176.35 174.91 2gcx n PRO 33 N -2.35 0.95 0.00 1.29 -0.02 -1.26 -2.79 135.00 130.82 2gcx n PRO 33 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2gcx n PRO 33 Cb 0.56 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 5.49 1.96 3.96 -1.23 0.00 0.41 -4.94 105.19 110.84 2gcx n GLY 34 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 6.03 0.02 1.61 0.15 -0.80 -4.83 113.70 113.87 2gcx s SER 35 Ca 0.00 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.84 2gcx s SER 35 Cb 0.00 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 2gcx s SER 35 CO 0.00 -0.45 -0.06 -0.94 1.20 0.00 0.00 173.24 172.99 2gcx s SER 36 N -4.13 4.68 0.28 5.45 1.04 -1.26 0.14 113.70 119.88 2gcx s SER 36 Ca 0.44 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 2gcx s SER 36 Cb -0.10 -1.09 0.02 0.00 0.10 0.00 0.00 66.02 64.95 2gcx s SER 36 CO 0.34 0.26 0.67 0.72 0.98 0.00 0.00 173.24 176.22 2gcx s PHE 37 N -1.05 -0.06 0.12 5.02 -0.71 -0.64 -4.68 117.98 115.98 2gcx s PHE 37 Ca 0.18 -0.38 0.10 0.00 -1.04 0.00 0.00 56.93 55.79 2gcx s PHE 37 Cb -0.11 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 2gcx s PHE 37 CO 0.09 -1.20 -0.26 -1.58 -1.34 0.00 0.00 175.22 170.93 2gcx s HIS 38 N -3.88 2.23 0.03 3.49 2.46 -0.79 -2.16 115.29 116.66 2gcx s HIS 38 Ca 0.14 -0.39 -0.28 0.00 0.47 0.00 0.00 55.06 55.00 2gcx s HIS 38 Cb -0.05 -1.21 -0.05 0.00 -0.13 0.00 0.00 32.58 31.14 2gcx s HIS 38 CO 0.08 0.31 0.88 0.08 -2.47 0.00 0.00 174.74 173.61 2gcx s VAL 39 N -1.06 4.75 -0.19 0.89 1.01 -1.26 -0.98 120.40 123.56 2gcx s VAL 39 Ca 0.13 1.86 0.11 0.00 0.00 0.00 0.00 61.98 64.08 2gcx s VAL 39 Cb -0.10 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 2gcx s VAL 39 CO 0.06 0.27 0.09 0.52 0.00 0.00 0.00 175.10 176.03 2gcx n VAL 40 N 3.27 1.48 0.00 2.92 0.31 -0.59 -4.25 118.33 121.46 2gcx n VAL 40 Ca 0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2gcx n VAL 40 Cb 0.50 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2gcx n VAL 40 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2gcx n ARG 41 N -2.98 0.00 -4.08 5.55 1.85 -1.26 -4.90 116.66 110.84 2gcx n ARG 41 Ca -0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.43 2gcx n ARG 41 Cb 1.09 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.40 2gcx n ARG 41 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2gcx s VAL 42 N -0.06 0.22 -0.09 8.89 1.01 -1.26 -3.88 120.40 125.22 2gcx s VAL 42 Ca 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.32 2gcx s VAL 42 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2gcx s VAL 42 CO 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 175.10 174.03 2gcx s ALA 43 N -3.55 2.60 0.58 5.51 0.00 -1.26 -4.86 121.76 120.77 2gcx s ALA 43 Ca 0.04 -0.94 0.27 0.00 0.00 0.00 0.00 51.96 51.33 2gcx s ALA 43 Cb 0.05 -1.07 1.66 0.00 0.00 0.00 0.00 23.12 23.76 2gcx s ALA 43 CO -0.09 0.39 2.16 -1.35 0.00 0.00 0.00 175.76 176.87 2gcx h PRO 44 N 6.11 0.00 0.00 0.00 0.11 -2.00 -3.26 132.00 132.97 2gcx h PRO 44 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2gcx h PRO 44 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gcx h PRO 44 CO 0.53 0.00 -0.23 1.28 -0.21 0.00 0.00 178.00 179.37 2gcx n LEU 45 N -3.95 0.75 0.00 2.35 4.32 -1.26 -5.06 117.00 114.15 2gcx n LEU 45 Ca -0.00 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 2gcx n LEU 45 Cb 0.22 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 2gcx n LEU 45 CO 0.29 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 2gcx n GLY 46 N 1.67 -0.14 3.48 -0.72 0.00 -1.23 -5.16 105.19 103.09 2gcx n GLY 46 Ca -0.03 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 0.33 -0.23 1.61 1.11 -1.26 -4.96 116.67 113.26 2gcx s ASP 47 Ca 0.00 -1.22 -0.26 0.00 0.18 0.00 0.00 52.55 51.25 2gcx s ASP 47 Cb 0.00 0.58 -0.00 0.00 1.07 0.00 0.00 42.92 44.57 2gcx s ASP 47 CO 0.00 -1.15 0.89 -2.16 1.18 0.00 0.00 175.17 173.93 2gcx s PRO 48 N -3.67 4.21 0.19 8.23 0.05 -1.26 -4.36 135.00 138.38 2gcx s PRO 48 Ca 0.28 1.07 0.06 0.00 0.05 0.00 0.00 61.00 62.46 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 0.14 -0.54 0.13 0.54 0.05 0.00 0.00 177.00 177.32 2gcx s VAL 49 N 2.90 4.36 -0.06 -0.36 0.11 -0.33 -4.85 120.40 122.16 2gcx s VAL 49 Ca 0.38 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.27 2gcx s VAL 49 Cb -0.15 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2gcx s VAL 49 CO 0.07 -0.16 -0.24 -1.00 -3.33 0.00 0.00 175.10 170.44 2gcx s HIS 50 N -1.84 2.37 -0.13 1.54 3.76 -1.25 0.92 115.29 120.65 2gcx s HIS 50 Ca 0.31 -0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2gcx s HIS 50 Cb -0.09 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2gcx s HIS 50 CO 0.23 -0.25 0.11 0.96 -0.85 0.00 0.00 174.74 174.94 2gcx s ILE 51 N -0.04 5.25 -0.46 0.60 -4.36 0.57 -1.54 121.20 121.23 2gcx s ILE 51 Ca -0.07 0.12 -0.09 0.00 -0.26 0.00 0.00 60.65 60.35 2gcx s ILE 51 Cb -0.14 -3.30 0.11 0.00 1.25 0.00 0.00 42.46 40.38 2gcx s ILE 51 CO 0.04 0.58 0.32 -0.70 0.24 0.00 0.00 174.94 175.43 2gcx s GLU 52 N -0.71 2.52 0.00 0.37 2.12 -0.15 0.06 118.70 122.90 2gcx s GLU 52 Ca 0.13 -1.68 0.00 0.00 0.36 0.00 0.00 54.97 53.78 2gcx s GLU 52 Cb -0.12 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2gcx s GLU 52 CO 0.03 -1.13 0.00 0.25 -0.54 0.00 0.00 175.26 173.86 2gcx n THR 53 N 4.92 0.00 -1.54 -1.70 -2.24 0.18 -1.89 114.28 112.01 2gcx n THR 53 Ca -0.09 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 2gcx n THR 53 Cb 0.41 -1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.96 0.71 -2.07 -0.78 5.12 -1.26 -2.09 116.66 115.33 2gcx n ARG 54 Ca 0.00 -0.24 -0.16 0.00 -1.93 0.00 0.00 57.85 55.52 2gcx n ARG 54 Cb 0.00 -3.12 -0.03 0.00 -1.16 0.00 0.00 32.46 28.15 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 8.67 -1.75 -3.53 5.56 1.74 -1.26 -4.93 116.66 121.15 2gcx n ARG 55 Ca 0.45 0.84 -0.13 0.00 -0.77 0.00 0.00 57.85 58.25 2gcx n ARG 55 Cb 0.43 -5.35 -0.11 0.00 -1.02 0.00 0.00 32.46 26.40 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 -2.64 -0.48 -0.41 1.55 1.01 -0.89 -5.12 120.40 113.42 2gcx s VAL 56 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2gcx s VAL 56 Cb 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2gcx s VAL 56 CO 0.00 -0.03 0.27 -0.55 0.00 0.00 0.00 175.10 174.79 2gcx s SER 57 N 2.46 5.87 0.61 3.32 0.15 -1.26 0.52 113.70 125.37 2gcx s SER 57 Ca 0.05 -1.17 0.03 0.00 0.70 0.00 0.00 55.95 55.56 2gcx s SER 57 Cb -0.14 -2.07 0.08 0.00 -1.71 0.00 0.00 66.02 62.18 2gcx s SER 57 CO -0.12 -0.49 0.84 -0.76 1.20 0.00 0.00 173.24 173.92 2gcx s LEU 58 N 1.56 3.16 -0.07 3.45 1.43 0.11 -4.88 118.68 123.45 2gcx s LEU 58 Ca 0.03 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2gcx s LEU 58 Cb -0.21 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.77 2gcx s LEU 58 CO 0.06 -1.43 -0.16 0.54 0.23 0.00 0.00 176.35 175.59 2gcx s VAL 59 N -2.85 1.43 0.30 -1.59 0.11 -1.26 -0.31 120.40 116.22 2gcx s VAL 59 Ca 0.62 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 2gcx s VAL 59 Cb -0.07 -1.26 -0.06 0.00 -1.53 0.00 0.00 36.38 33.46 2gcx s VAL 59 CO 0.40 0.42 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.77 2gcx s LEU 60 N 0.44 2.55 0.11 2.54 1.43 0.26 -4.94 118.68 121.07 2gcx s LEU 60 Ca -0.13 -1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 51.69 2gcx s LEU 60 Cb -0.15 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2gcx s LEU 60 CO 0.05 -0.31 0.19 -0.13 0.23 0.00 0.00 176.35 176.38 2gcx s ARG 61 N -3.70 0.94 0.64 1.70 0.52 -1.26 -1.19 118.95 116.60 2gcx s ARG 61 Ca 0.31 -1.09 0.28 0.00 -0.52 0.00 0.00 55.73 54.71 2gcx s ARG 61 Cb 0.04 0.34 1.52 0.00 0.52 0.00 0.00 34.95 37.36 2gcx s ARG 61 CO 0.13 -0.31 1.88 -0.22 0.02 0.00 0.00 175.30 176.81 2gcx h LYS 62 N 2.72 0.00 0.09 3.54 1.63 -1.98 0.45 116.57 123.02 2gcx h LYS 62 Ca -0.33 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.21 2gcx h LYS 62 Cb 1.20 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2gcx h LYS 62 CO 0.54 0.00 -1.20 1.57 -3.45 0.00 0.00 179.45 176.91 2gcx h LYS 63 N 0.00 0.20 0.17 1.90 2.10 -1.96 -3.10 116.57 115.88 2gcx h LYS 63 Ca 0.08 -0.34 -0.27 0.00 -2.00 0.00 0.00 60.65 58.12 2gcx h LYS 63 Cb 0.90 0.13 0.02 0.00 -0.90 0.00 0.00 32.23 32.38 2gcx h LYS 63 CO -0.00 1.15 -1.27 -0.44 -2.00 0.00 0.00 179.45 176.89 2gcx h ASP 64 N 0.05 0.57 0.04 7.07 3.32 -0.67 -3.30 116.42 123.50 2gcx h ASP 64 Ca -0.11 -0.92 -0.00 0.00 0.02 0.00 0.00 57.03 56.02 2gcx h ASP 64 Cb 1.92 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 41.29 2gcx h ASP 64 CO 0.18 1.59 -0.01 -0.07 -1.72 0.00 0.00 179.24 179.21 2gcx h LEU 65 N -0.16 0.00 -2.03 1.55 4.07 -0.83 -0.62 115.31 117.29 2gcx h LEU 65 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2gcx h LEU 65 Cb 1.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.61 2gcx h LEU 65 CO 0.16 0.01 0.00 0.00 -1.08 0.00 0.00 178.44 177.53 2gcx h ALA 66 N 1.99 1.00 0.00 1.53 0.00 -1.61 -3.30 119.26 118.86 2gcx h ALA 66 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2gcx h ALA 66 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2gcx h ALA 66 CO 0.00 0.00 -1.30 1.28 0.00 0.00 0.00 179.25 179.23 2gcx n LEU 67 N -3.07 1.82 -4.75 0.00 4.77 -0.29 -5.00 117.00 110.48 2gcx n LEU 67 Ca -0.01 0.31 -0.35 0.00 -0.03 0.00 0.00 56.01 55.93 2gcx n LEU 67 Cb 0.22 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 40.64 2gcx n LEU 67 CO 0.24 -0.09 0.82 0.27 -1.33 0.00 0.00 177.39 177.30 2gcx s ILE 68 N -2.71 2.72 0.08 -0.08 -4.36 -0.93 -3.94 121.20 111.98 2gcx s ILE 68 Ca -0.28 0.42 0.02 0.00 -0.26 0.00 0.00 60.65 60.55 2gcx s ILE 68 Cb 0.06 -3.10 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 2gcx s ILE 68 CO 0.40 -0.12 0.13 -0.70 0.24 0.00 0.00 174.94 174.89 2gcx s GLU 69 N -3.50 3.09 0.01 0.37 2.12 -0.60 -4.78 118.70 115.41 2gcx s GLU 69 Ca 0.75 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 55.51 2gcx s GLU 69 Cb -0.28 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2gcx s GLU 69 CO 0.35 0.57 -0.14 -0.51 -0.54 0.00 0.00 175.26 175.00 2gcx s LEU 70 N -2.51 2.08 0.14 2.70 1.43 -1.26 0.33 118.68 121.59 2gcx s LEU 70 Ca 0.31 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 2gcx s LEU 70 Cb -0.12 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2gcx s LEU 70 CO 0.24 0.12 -0.21 -0.70 0.23 0.00 0.00 176.35 176.03 2gcx s GLU 71 N -0.62 1.25 0.91 1.70 2.12 -0.65 -4.96 118.70 118.46 2gcx s GLU 71 Ca 0.04 -1.32 -0.15 0.00 0.36 0.00 0.00 54.97 53.89 2gcx s GLU 71 Cb -0.06 -1.45 0.21 0.00 0.26 0.00 0.00 34.13 33.09 2gcx s GLU 71 CO 0.00 0.32 1.10 0.00 -0.54 0.00 0.00 175.26 176.14 2gcx n ALA 72 N 0.64 -1.78 -2.00 6.30 0.00 -1.26 -0.62 120.51 121.78 2gcx n ALA 72 Ca -0.16 -1.48 -0.21 0.00 0.00 0.00 0.00 53.44 51.59 2gcx n ALA 72 Cb 0.55 -0.08 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.31 2.34 -0.09 0.00 -7.23 -1.26 -4.50 120.40 106.36 2gcx s VAL 73 Ca 0.64 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.91 2gcx s VAL 73 Cb -0.03 -2.60 -0.28 0.00 0.56 0.00 0.00 36.38 34.03 2gcx s VAL 73 CO 0.46 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.87 2gcx h ALA 74 N -0.11 0.14 0.00 1.32 0.00 -1.98 -3.52 119.26 115.10 2gcx h ALA 74 Ca -0.36 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.50 2gcx h ALA 74 Cb 1.28 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2gcx h ALA 74 CO 0.44 0.80 0.00 1.04 0.00 0.00 0.00 179.25 181.53