#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 4.15 -0.39 0.03 -0.21 -1.26 -4.91 119.66 117.07 2gcx s GLN 2 Ca 0.00 2.08 -0.28 0.00 0.02 0.00 0.00 55.36 57.19 2gcx s GLN 2 Cb 0.00 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 2gcx s GLN 2 CO 0.00 -0.31 1.95 -0.06 -2.12 0.00 0.00 175.29 174.74 2gcx s PHE 3 N -1.25 1.59 0.21 0.91 0.40 -1.26 -4.97 117.98 113.62 2gcx s PHE 3 Ca 0.54 0.76 0.10 0.00 -0.60 0.00 0.00 56.93 57.72 2gcx s PHE 3 Cb -0.37 -4.02 -0.04 0.00 0.51 0.00 0.00 43.02 39.10 2gcx s PHE 3 CO 0.47 -2.94 -0.13 0.95 0.70 0.00 0.00 175.22 174.27 2gcx s THR 4 N 8.19 2.95 0.33 0.64 -4.23 -1.26 -4.72 115.64 117.53 2gcx s THR 4 Ca 0.82 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 2gcx s THR 4 Cb -0.21 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 2gcx s THR 4 CO 0.30 -0.20 0.93 -2.65 -0.54 0.00 0.00 174.62 172.46 2gcx n PRO 5 N -0.18 1.20 -1.51 3.99 -0.02 -1.26 -1.48 135.00 135.75 2gcx n PRO 5 Ca -0.09 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 2gcx n PRO 5 Cb 0.57 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 2gcx n PRO 5 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gcx n ASP 6 N 1.08 -4.71 -4.91 2.55 8.00 0.18 -4.96 116.55 113.78 2gcx n ASP 6 Ca 0.10 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.65 2gcx n ASP 6 Cb 0.34 -3.52 -0.00 0.00 -0.02 0.00 0.00 41.12 37.92 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2gcx s SER 7 N -2.80 6.28 -0.07 -2.24 1.04 -0.55 -4.73 113.70 110.63 2gcx s SER 7 Ca 0.00 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2gcx s SER 7 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 2gcx s SER 7 CO 0.00 -0.53 -0.20 0.00 0.98 0.00 0.00 173.24 173.49 2gcx s ALA 8 N -2.67 2.39 0.08 5.32 0.00 -1.26 0.11 121.76 125.72 2gcx s ALA 8 Ca 0.47 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2gcx s ALA 8 Cb -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.18 2gcx s ALA 8 CO 0.43 0.42 0.34 -1.58 0.00 0.00 0.00 175.76 175.37 2gcx s TRP 9 N -0.21 -0.14 -0.15 0.00 0.52 -0.87 -4.45 118.94 113.64 2gcx s TRP 9 Ca -0.01 -0.08 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 2gcx s TRP 9 Cb -0.13 0.15 -0.05 0.00 -1.15 0.00 0.00 33.47 32.29 2gcx s TRP 9 CO 0.03 -0.59 0.15 0.15 0.02 0.00 0.00 176.95 176.72 2gcx s LYS 10 N -3.12 3.83 0.08 4.98 1.02 -0.67 -1.46 119.74 124.41 2gcx s LYS 10 Ca -0.01 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 2gcx s LYS 10 Cb 0.01 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2gcx s LYS 10 CO -0.07 0.54 1.07 0.42 -0.92 0.00 0.00 175.35 176.38 2gcx s ILE 11 N -0.34 4.32 -0.29 2.17 1.01 0.43 -1.92 121.20 126.58 2gcx s ILE 11 Ca 0.12 1.79 0.20 0.00 0.00 0.00 0.00 60.65 62.76 2gcx s ILE 11 Cb -0.12 -4.14 0.48 0.00 0.01 0.00 0.00 42.46 38.69 2gcx s ILE 11 CO 0.02 0.21 1.03 0.41 0.00 0.00 0.00 174.94 176.61 2gcx n THR 12 N 3.30 1.16 -1.53 2.92 -1.04 0.25 0.17 114.28 119.51 2gcx n THR 12 Ca 0.05 -3.02 -0.16 0.00 -2.04 0.00 0.00 64.05 58.88 2gcx n THR 12 Cb 0.48 0.94 -0.13 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.34 -0.29 2.76 3.41 0.00 -1.23 -1.69 105.19 107.82 2gcx n GLY 13 Ca 0.09 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 9.16 -0.38 0.27 1.61 5.36 -1.26 -4.78 117.98 127.96 2gcx s PHE 14 Ca 1.07 -0.51 0.06 0.00 -0.96 0.00 0.00 56.93 56.58 2gcx s PHE 14 Cb -0.40 -0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2gcx s PHE 14 CO 0.27 -0.95 0.39 -1.12 -1.46 0.00 0.00 175.22 172.35 2gcx s SER 15 N 1.87 6.15 0.61 6.13 0.01 -1.26 -4.62 113.70 122.59 2gcx s SER 15 Ca 0.13 -0.04 0.39 0.00 1.31 0.00 0.00 55.95 57.74 2gcx s SER 15 Cb -0.15 -1.61 2.10 0.00 0.21 0.00 0.00 66.02 66.58 2gcx s SER 15 CO -0.17 -0.20 2.18 0.08 0.41 0.00 0.00 173.24 175.55 2gcx h ARG 16 N 1.09 0.00 0.00 12.44 -0.00 -2.01 -3.26 114.38 122.64 2gcx h ARG 16 Ca -0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.35 2gcx h ARG 16 Cb 1.24 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 31.10 2gcx h ARG 16 CO 0.58 0.00 -0.19 -3.47 -0.00 0.00 0.00 179.97 176.89 2gcx n ASP 17 N -2.91 -1.20 -4.54 0.08 2.03 -1.26 -5.14 116.55 103.61 2gcx n ASP 17 Ca -0.03 -1.95 -0.46 0.00 0.52 0.00 0.00 54.79 52.87 2gcx n ASP 17 Cb 0.12 0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 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 -1.00 1.86 -2.95 5.18 3.06 -1.23 -4.96 119.36 119.32 2gcx n ILE 18 Ca -0.13 -0.46 -0.29 0.00 -2.50 0.00 0.00 62.75 59.37 2gcx n ILE 18 Cb 0.78 -0.74 -0.02 0.00 0.54 0.00 0.00 39.64 40.19 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 -0.59 6.42 0.50 9.51 1.04 -1.26 -4.93 113.70 124.39 2gcx s SER 19 Ca 0.62 0.94 0.15 0.00 0.48 0.00 0.00 55.95 58.14 2gcx s SER 19 Cb -0.77 -2.24 1.20 0.00 0.10 0.00 0.00 66.02 64.30 2gcx s SER 19 CO 0.58 -0.39 2.12 1.55 0.98 0.00 0.00 173.24 178.08 2gcx h PRO 20 N 1.07 0.05 -0.68 4.02 0.13 -1.96 -1.15 132.00 133.48 2gcx h PRO 20 Ca -0.47 -0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 2gcx h PRO 20 Cb 1.19 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2gcx h PRO 20 CO 0.64 0.06 0.12 0.00 -0.23 0.00 0.00 178.00 178.58 2gcx h ALA 21 N 1.95 0.81 0.12 -0.56 0.00 -1.98 1.29 119.26 120.89 2gcx h ALA 21 Ca 0.01 0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2gcx h ALA 21 Cb 0.03 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gcx h ALA 21 CO -0.00 -0.35 -1.47 1.88 0.00 0.00 0.00 179.25 179.31 2gcx h TYR 22 N 0.23 0.45 0.81 0.00 -1.99 -1.88 -3.32 116.97 111.27 2gcx h TYR 22 Ca 0.37 -0.33 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 2gcx h TYR 22 Cb 0.61 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.33 2gcx h TYR 22 CO -0.29 1.58 -0.39 -0.09 -0.00 0.00 0.00 178.16 178.97 2gcx h ARG 23 N -0.27 -1.04 -0.75 4.88 9.65 -0.86 -3.02 114.38 122.97 2gcx h ARG 23 Ca -0.32 0.07 0.17 0.00 -1.10 0.00 0.00 59.98 58.80 2gcx h ARG 23 Cb 1.79 0.24 -0.13 0.00 -1.39 0.00 0.00 29.97 30.47 2gcx h ARG 23 CO 0.06 -0.68 -0.04 0.37 2.80 0.00 0.00 179.97 182.48 2gcx h GLN 24 N -1.19 0.07 -0.57 0.20 4.15 0.15 0.46 115.11 118.38 2gcx h GLN 24 Ca -0.11 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.42 2gcx h GLN 24 Cb 0.84 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.43 2gcx h GLN 24 CO 0.18 0.05 0.05 0.87 -1.93 0.00 0.00 178.83 178.05 2gcx h LYS 25 N 0.08 0.17 0.66 1.69 1.57 -1.64 -1.40 116.57 117.69 2gcx h LYS 25 Ca 0.40 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.14 2gcx h LYS 25 Cb 0.69 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2gcx h LYS 25 CO -0.69 0.11 -0.32 -0.07 -0.57 0.00 0.00 179.45 177.91 2gcx h LEU 26 N 0.17 -0.75 -1.76 2.94 3.38 -0.81 -2.54 115.31 115.94 2gcx h LEU 26 Ca 0.29 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.47 2gcx h LEU 26 Cb 0.45 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2gcx h LEU 26 CO -0.44 -0.47 0.72 -0.07 0.09 0.00 0.00 178.44 178.27 2gcx h LEU 27 N -0.98 0.00 -0.85 1.67 3.38 -0.93 0.43 115.31 118.03 2gcx h LEU 27 Ca -0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2gcx h LEU 27 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2gcx h LEU 27 CO 0.15 0.00 -0.08 -1.28 0.09 0.00 0.00 178.44 177.32 2gcx h SER 28 N 0.00 0.75 1.43 -0.43 0.87 -0.81 -2.79 113.55 112.57 2gcx h SER 28 Ca 0.34 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 2gcx h SER 28 Cb 1.77 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 2gcx h SER 28 CO -0.00 0.87 -0.58 -0.07 -0.53 0.00 0.00 176.83 176.52 2gcx h LEU 29 N 0.70 0.00 0.00 2.23 3.38 -0.17 -3.48 115.31 117.98 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 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2gcx h LEU 29 CO 0.03 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2gcx n GLY 30 N 1.24 0.86 3.44 0.83 0.00 -0.94 -5.05 105.19 105.57 2gcx n GLY 30 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.91 3.13 0.43 1.61 -1.94 -1.24 -5.02 119.30 115.36 2gcx s MET 31 Ca 0.00 -0.90 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2gcx s MET 31 Cb 0.00 -4.16 -0.03 0.00 2.01 0.00 0.00 34.83 32.65 2gcx s MET 31 CO 0.00 -1.46 0.68 -0.51 -0.01 0.00 0.00 175.02 173.72 2gcx s LEU 32 N 3.12 3.78 -0.11 -0.03 1.02 -1.26 -4.58 118.68 120.62 2gcx s LEU 32 Ca 0.18 0.69 -0.41 0.00 0.02 0.00 0.00 54.13 54.60 2gcx s LEU 32 Cb -0.19 -3.59 -0.19 0.00 0.02 0.00 0.00 46.19 42.24 2gcx s LEU 32 CO 0.11 -0.48 1.29 -2.65 0.02 0.00 0.00 176.35 174.64 2gcx n PRO 33 N -2.06 0.32 0.00 1.29 -0.02 -1.26 -2.98 135.00 130.28 2gcx n PRO 33 Ca -0.02 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2gcx n PRO 33 Cb 0.56 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 2.43 1.78 3.99 -1.23 0.00 0.44 -4.96 105.19 107.64 2gcx n GLY 34 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 4.92 0.09 1.61 0.15 -0.62 -4.81 113.70 113.05 2gcx s SER 35 Ca 0.00 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.43 2gcx s SER 35 Cb 0.00 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2gcx s SER 35 CO 0.00 -1.42 -0.22 -0.55 1.20 0.00 0.00 173.24 172.25 2gcx s SER 36 N -4.57 2.68 0.36 5.45 0.15 -1.26 0.16 113.70 116.66 2gcx s SER 36 Ca 0.61 -0.66 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 2gcx s SER 36 Cb -0.08 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.12 2gcx s SER 36 CO 0.40 0.11 0.84 0.72 1.20 0.00 0.00 173.24 176.51 2gcx s PHE 37 N -1.06 0.13 0.08 3.44 -0.71 -0.53 -4.55 117.98 114.78 2gcx s PHE 37 Ca 0.08 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.23 2gcx s PHE 37 Cb -0.10 0.83 -0.03 0.00 -1.21 0.00 0.00 43.02 42.51 2gcx s PHE 37 CO 0.04 -1.49 -0.12 -1.01 -1.34 0.00 0.00 175.22 171.30 2gcx s HIS 38 N -2.16 1.09 0.06 3.49 3.76 -0.55 -2.06 115.29 118.92 2gcx s HIS 38 Ca 0.17 -0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 2gcx s HIS 38 Cb -0.05 -0.61 -0.06 0.00 1.11 0.00 0.00 32.58 32.97 2gcx s HIS 38 CO 0.11 0.02 0.50 0.08 -0.85 0.00 0.00 174.74 174.60 2gcx s VAL 39 N -1.76 4.89 -0.20 -0.90 1.01 0.30 0.52 120.40 124.25 2gcx s VAL 39 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2gcx s VAL 39 Cb -0.07 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 2gcx s VAL 39 CO 0.01 0.50 0.03 0.52 0.00 0.00 0.00 175.10 176.16 2gcx n VAL 40 N 1.56 1.61 0.00 2.92 0.31 -0.45 0.49 118.33 124.78 2gcx n VAL 40 Ca -0.11 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2gcx n VAL 40 Cb 0.52 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 -3.34 0.00 -3.80 5.55 1.85 -1.26 -4.21 116.66 111.45 2gcx n ARG 41 Ca -0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.36 2gcx n ARG 41 Cb 1.02 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.36 2gcx n ARG 41 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2gcx s VAL 42 N 0.00 0.12 0.20 8.89 0.11 -1.26 -3.95 120.40 124.51 2gcx s VAL 42 Ca 0.00 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.15 2gcx s VAL 42 Cb 0.00 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2gcx s VAL 42 CO 0.00 -0.55 -0.08 0.00 -3.33 0.00 0.00 175.10 171.15 2gcx s ALA 43 N -3.67 2.99 -0.21 1.54 0.00 -1.26 -4.62 121.76 116.54 2gcx s ALA 43 Ca 0.03 -1.52 0.29 0.00 0.00 0.00 0.00 51.96 50.76 2gcx s ALA 43 Cb 0.03 -0.74 1.01 0.00 0.00 0.00 0.00 23.12 23.43 2gcx s ALA 43 CO -0.10 0.42 1.83 -1.00 0.00 0.00 0.00 175.76 176.91 2gcx h PRO 44 N 2.67 0.00 0.00 0.00 0.13 -2.00 -3.35 132.00 129.44 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2gcx h PRO 44 CO 0.56 0.00 -0.20 1.25 -0.23 0.00 0.00 178.00 179.38 2gcx h LEU 45 N 0.00 0.00 0.00 1.56 5.85 -2.01 -3.50 115.31 117.21 2gcx h LEU 45 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gcx h LEU 45 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2gcx h LEU 45 CO 0.00 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 2gcx n GLY 46 N 1.70 0.16 3.46 3.75 0.00 -1.26 -5.10 105.19 107.91 2gcx n GLY 46 Ca -0.03 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 0.25 -0.45 1.61 1.11 -1.26 -4.96 116.67 112.97 2gcx s ASP 47 Ca 0.00 -1.20 -0.26 0.00 0.18 0.00 0.00 52.55 51.27 2gcx s ASP 47 Cb 0.00 0.55 0.03 0.00 1.07 0.00 0.00 42.92 44.57 2gcx s ASP 47 CO 0.00 -1.10 0.96 -2.16 1.18 0.00 0.00 175.17 174.04 2gcx s PRO 48 N -3.80 3.62 -0.07 8.23 0.05 -1.26 -4.17 135.00 137.59 2gcx s PRO 48 Ca 0.29 0.30 -0.02 0.00 0.05 0.00 0.00 61.00 61.62 2gcx s PRO 48 Cb 0.01 -3.90 -0.03 0.00 0.05 0.00 0.00 34.50 30.63 2gcx s PRO 48 CO 0.13 -1.19 0.01 0.54 0.05 0.00 0.00 177.00 176.54 2gcx s VAL 49 N 3.80 4.37 -0.18 -0.36 0.11 -0.61 -4.84 120.40 122.69 2gcx s VAL 49 Ca 0.39 -0.28 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 2gcx s VAL 49 Cb -0.10 -2.86 -0.05 0.00 -1.53 0.00 0.00 36.38 31.84 2gcx s VAL 49 CO 0.26 0.56 0.10 -1.00 -3.33 0.00 0.00 175.10 171.69 2gcx s HIS 50 N -0.93 3.37 -0.06 1.54 3.76 -1.26 -0.69 115.29 121.01 2gcx s HIS 50 Ca 0.15 0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 55.20 2gcx s HIS 50 Cb -0.11 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 2gcx s HIS 50 CO 0.04 0.29 0.27 0.96 -0.85 0.00 0.00 174.74 175.45 2gcx s ILE 51 N 0.22 5.27 -0.55 0.60 -4.36 0.35 -1.33 121.20 121.39 2gcx s ILE 51 Ca 0.07 0.53 -0.09 0.00 -0.26 0.00 0.00 60.65 60.90 2gcx s ILE 51 Cb -0.12 -3.56 0.14 0.00 1.25 0.00 0.00 42.46 40.18 2gcx s ILE 51 CO -0.01 0.59 0.42 -0.70 0.24 0.00 0.00 174.94 175.48 2gcx s GLU 52 N -1.00 2.64 0.18 0.37 2.12 0.18 -0.38 118.70 122.83 2gcx s GLU 52 Ca 0.19 -1.99 0.01 0.00 0.36 0.00 0.00 54.97 53.55 2gcx s GLU 52 Cb -0.14 -3.96 0.03 0.00 0.26 0.00 0.00 34.13 30.32 2gcx s GLU 52 CO 0.09 -1.21 0.25 0.25 -0.54 0.00 0.00 175.26 174.10 2gcx n THR 53 N 4.55 0.00 -1.53 -1.70 -2.24 0.18 -1.48 114.28 112.05 2gcx n THR 53 Ca -0.02 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 2gcx n THR 53 Cb 0.41 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.43 0.50 -2.45 -0.78 5.12 -1.26 -1.67 116.66 114.68 2gcx n ARG 54 Ca 0.05 -0.18 -0.13 0.00 -1.93 0.00 0.00 57.85 55.65 2gcx n ARG 54 Cb 0.16 -2.60 -0.01 0.00 -1.16 0.00 0.00 32.46 28.86 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 8.28 -2.24 -3.58 5.56 1.74 -1.26 -4.92 116.66 120.24 2gcx n ARG 55 Ca 0.52 0.61 -0.11 0.00 -0.77 0.00 0.00 57.85 58.09 2gcx n ARG 55 Cb 0.32 -5.21 -0.11 0.00 -1.02 0.00 0.00 32.46 26.45 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 -2.63 -0.54 -0.43 1.55 1.01 -0.67 -5.12 120.40 113.57 2gcx s VAL 56 Ca 0.01 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2gcx s VAL 56 Cb -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.80 2gcx s VAL 56 CO 0.01 0.03 0.33 -0.55 0.00 0.00 0.00 175.10 174.91 2gcx s SER 57 N 2.52 6.06 0.21 3.32 0.15 -1.26 0.48 113.70 125.18 2gcx s SER 57 Ca 0.03 -1.12 0.05 0.00 0.70 0.00 0.00 55.95 55.61 2gcx s SER 57 Cb -0.13 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2gcx s SER 57 CO -0.12 -0.53 0.25 -0.22 1.20 0.00 0.00 173.24 173.83 2gcx s LEU 58 N 1.64 4.07 -0.11 3.45 2.96 0.49 -4.89 118.68 126.29 2gcx s LEU 58 Ca 0.04 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2gcx s LEU 58 Cb -0.21 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2gcx s LEU 58 CO 0.08 -0.01 0.05 0.54 -1.32 0.00 0.00 176.35 175.68 2gcx s VAL 59 N -1.94 4.71 -0.04 1.68 0.11 -1.26 0.13 120.40 123.79 2gcx s VAL 59 Ca 0.33 -0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 59.24 2gcx s VAL 59 Cb -0.09 -3.02 0.01 0.00 -1.53 0.00 0.00 36.38 31.75 2gcx s VAL 59 CO 0.27 0.60 0.14 -0.76 -3.33 0.00 0.00 175.10 172.01 2gcx s LEU 60 N -0.80 1.50 0.30 2.54 1.43 0.13 -4.92 118.68 118.86 2gcx s LEU 60 Ca 0.13 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 2gcx s LEU 60 Cb -0.12 0.53 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 2gcx s LEU 60 CO 0.03 -0.15 0.07 -0.60 0.23 0.00 0.00 176.35 175.93 2gcx s ARG 61 N -0.39 2.36 0.58 1.70 3.52 -1.26 -1.57 118.95 123.89 2gcx s ARG 61 Ca -0.05 -1.46 0.32 0.00 -0.13 0.00 0.00 55.73 54.41 2gcx s ARG 61 Cb -0.03 -2.18 1.36 0.00 -1.56 0.00 0.00 34.95 32.54 2gcx s ARG 61 CO 0.01 0.25 1.69 0.87 -0.81 0.00 0.00 175.30 177.31 2gcx h LYS 62 N 1.72 0.00 0.00 5.12 1.79 -1.97 1.25 116.57 124.48 2gcx h LYS 62 Ca -0.44 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.83 2gcx h LYS 62 Cb 1.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 2gcx h LYS 62 CO 0.62 0.00 -0.96 1.57 -1.08 0.00 0.00 179.45 179.60 2gcx h LYS 63 N 0.00 0.01 0.05 3.15 2.10 -1.95 -2.60 116.57 117.32 2gcx h LYS 63 Ca 0.42 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.83 2gcx h LYS 63 Cb 2.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.40 2gcx h LYS 63 CO -0.00 0.96 -1.09 -0.44 -2.00 0.00 0.00 179.45 176.88 2gcx h ASP 64 N 0.00 0.17 1.70 7.07 5.19 0.11 -3.25 116.42 127.42 2gcx h ASP 64 Ca -0.01 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2gcx h ASP 64 Cb 1.69 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.15 2gcx h ASP 64 CO 0.13 1.13 -0.15 -0.07 -3.12 0.00 0.00 179.24 177.16 2gcx h LEU 65 N 0.03 0.00 -1.64 1.55 4.07 -1.20 -3.26 115.31 114.86 2gcx h LEU 65 Ca -0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 2gcx h LEU 65 Cb 1.84 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.57 2gcx h LEU 65 CO 0.16 0.01 -0.20 0.00 -1.08 0.00 0.00 178.44 177.32 2gcx h ALA 66 N 2.15 1.37 0.00 1.53 0.00 -1.49 -3.26 119.26 119.56 2gcx h ALA 66 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2gcx h ALA 66 Cb 0.92 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2gcx h ALA 66 CO 0.00 0.25 -0.39 -0.07 0.00 0.00 0.00 179.25 179.04 2gcx h LEU 67 N 0.00 0.00-10.19 0.00 3.38 -1.70 -3.47 115.31 103.32 2gcx h LEU 67 Ca -0.00 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 57.28 2gcx h LEU 67 Cb 0.44 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.32 2gcx h LEU 67 CO 0.03 0.79 0.38 0.27 0.09 0.00 0.00 178.44 179.99 2gcx s ILE 68 N -2.02 2.77 0.04 1.22 -4.36 -1.23 -4.17 121.20 113.44 2gcx s ILE 68 Ca -0.12 0.36 0.01 0.00 -0.26 0.00 0.00 60.65 60.65 2gcx s ILE 68 Cb 0.01 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 2gcx s ILE 68 CO 0.24 -0.22 0.08 -0.70 0.24 0.00 0.00 174.94 174.58 2gcx s GLU 69 N -4.03 2.98 0.17 0.37 2.56 -0.68 -4.83 118.70 115.23 2gcx s GLU 69 Ca 0.70 -0.59 0.11 0.00 0.00 0.00 0.00 54.97 55.19 2gcx s GLU 69 Cb -0.24 -2.79 -0.04 0.00 2.00 0.00 0.00 34.13 33.05 2gcx s GLU 69 CO 0.44 0.61 -0.23 -0.51 -0.56 0.00 0.00 175.26 175.00 2gcx s LEU 70 N -2.07 2.41 0.04 2.70 2.01 -1.26 0.87 118.68 123.38 2gcx s LEU 70 Ca 0.26 -0.84 0.04 0.00 0.01 0.00 0.00 54.13 53.60 2gcx s LEU 70 Cb -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 46.19 44.97 2gcx s LEU 70 CO 0.18 0.09 -0.12 -0.70 1.01 0.00 0.00 176.35 176.81 2gcx s GLU 71 N -2.57 0.77 1.07 1.70 2.12 -0.81 -4.93 118.70 116.07 2gcx s GLU 71 Ca 0.18 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 2gcx s GLU 71 Cb -0.08 -0.73 0.23 0.00 0.26 0.00 0.00 34.13 33.82 2gcx s GLU 71 CO 0.08 0.17 1.07 0.00 -0.54 0.00 0.00 175.26 176.04 2gcx s ALA 72 N -0.99 0.22 0.29 6.30 0.00 -1.26 -1.66 121.76 124.66 2gcx s ALA 72 Ca -0.02 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2gcx s ALA 72 Cb -0.08 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2gcx s ALA 72 CO 0.01 -3.46 0.33 0.14 0.00 0.00 0.00 175.76 172.79 2gcx s VAL 73 N -2.53 4.30 0.09 0.00 -7.23 -1.26 -4.52 120.40 109.24 2gcx s VAL 73 Ca 0.68 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 59.35 2gcx s VAL 73 Cb -0.24 -3.45 -0.08 0.00 0.56 0.00 0.00 36.38 33.17 2gcx s VAL 73 CO 0.62 -0.25 1.44 0.00 -0.31 0.00 0.00 175.10 176.61 2gcx s ALA 74 N -2.15 3.62 -1.91 1.32 0.00 -1.26 -5.13 121.76 116.25 2gcx s ALA 74 Ca 0.38 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2gcx s ALA 74 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2gcx s ALA 74 CO 0.28 -0.75 0.48 0.94 0.00 0.00 0.00 175.76 176.70