#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgw s ALA 2 N 0.00 1.23 0.02 -5.12 0.00 -1.26 -0.95 121.76 115.68 1rgw s ALA 2 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1rgw s ALA 2 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1rgw s ALA 2 CO 0.00 0.27 -0.00 1.52 0.00 0.00 0.00 175.76 177.55 1rgw s TYR 3 N -0.61 3.05 -0.13 0.00 1.13 -0.29 -4.91 117.35 115.59 1rgw s TYR 3 Ca 0.04 0.05 0.02 0.00 -1.41 0.00 0.00 57.07 55.78 1rgw s TYR 3 Cb -0.07 -1.64 0.01 0.00 -1.10 0.00 0.00 41.96 39.16 1rgw s TYR 3 CO 0.00 0.46 -0.20 -1.12 -2.51 0.00 0.00 175.55 172.18 1rgw s SER 4 N -1.71 2.93 -0.05 -0.18 0.01 -1.26 -2.81 113.70 110.64 1rgw s SER 4 Ca 0.21 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1rgw s SER 4 Cb -0.12 -1.35 0.01 0.00 0.21 0.00 0.00 66.02 64.78 1rgw s SER 4 CO 0.12 0.06 -0.08 0.54 0.41 0.00 0.00 173.24 174.29 1rgw s VAL 5 N 0.86 0.79 -0.36 3.43 0.11 -0.69 -5.00 120.40 119.55 1rgw s VAL 5 Ca -0.07 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 1rgw s VAL 5 Cb -0.15 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1rgw s VAL 5 CO -0.02 0.27 0.29 -0.89 -3.33 0.00 0.00 175.10 171.42 1rgw s THR 6 N 0.63 5.24 0.02 5.04 2.01 -1.26 -1.31 115.64 126.01 1rgw s THR 6 Ca -0.10 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1rgw s THR 6 Cb -0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1rgw s THR 6 CO 0.01 -0.10 0.30 -0.22 -0.69 0.00 0.00 174.62 173.93 1rgw s LEU 7 N 1.82 4.38 0.12 4.42 2.96 0.21 -4.86 118.68 127.73 1rgw s LEU 7 Ca 0.08 0.64 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1rgw s LEU 7 Cb -0.17 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1rgw s LEU 7 CO 0.11 0.25 -0.21 0.42 -1.32 0.00 0.00 176.35 175.60 1rgw s THR 8 N -1.29 1.84 0.00 3.68 -4.23 -1.26 -1.62 115.64 112.75 1rgw s THR 8 Ca 0.28 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1rgw s THR 8 Cb -0.14 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1rgw s THR 8 CO 0.16 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1rgw n GLY 9 N 0.85 0.63 3.76 3.99 0.00 -0.68 -5.04 105.19 108.70 1rgw n GLY 9 Ca -0.18 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1rgw n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rgw s PRO 10 N -0.28 3.03 0.00 1.61 0.04 -1.26 -4.98 135.00 133.16 1rgw s PRO 10 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1rgw s PRO 10 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1rgw s PRO 10 CO 0.00 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1rgw n GLY 11 N 0.26 -1.21 0.06 0.56 0.00 -1.26 -4.94 105.19 98.66 1rgw n GLY 11 Ca 0.13 -0.94 0.16 0.00 0.00 0.00 0.00 46.02 45.36 1rgw n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rgw n PRO 12 N 0.00 1.04 0.00 1.61 -0.04 -1.26 -4.94 135.00 131.41 1rgw n PRO 12 Ca 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1rgw n PRO 12 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1rgw n PRO 12 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rgw n TRP 13 N -0.86 0.00 0.00 0.54 7.02 -1.26 -4.34 117.44 118.54 1rgw n TRP 13 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 1rgw n TRP 13 Cb 0.15 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1rgw n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rgw n GLY 14 N 0.00 1.36 3.42 6.99 0.00 -1.26 -0.87 105.19 114.83 1rgw n GLY 14 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1rgw n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rgw s PHE 15 N -1.96 1.93 -0.02 1.61 -0.71 -1.26 -0.22 117.98 117.34 1rgw s PHE 15 Ca 0.00 -0.71 0.08 0.00 -1.04 0.00 0.00 56.93 55.26 1rgw s PHE 15 Cb 0.00 -1.10 -0.02 0.00 -1.21 0.00 0.00 43.02 40.69 1rgw s PHE 15 CO 0.00 0.27 -0.26 1.03 -1.34 0.00 0.00 175.22 174.92 1rgw s ARG 16 N -3.73 2.13 -0.11 1.99 1.81 -0.79 -4.92 118.95 115.33 1rgw s ARG 16 Ca 0.29 -0.92 -0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1rgw s ARG 16 Cb 0.04 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.48 1rgw s ARG 16 CO 0.12 0.54 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.68 1rgw s LEU 17 N -0.57 2.99 -0.05 2.53 1.02 -1.26 -0.49 118.68 122.85 1rgw s LEU 17 Ca 0.09 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.03 1rgw s LEU 17 Cb -0.10 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.46 1rgw s LEU 17 CO -0.01 0.24 0.13 -1.10 0.02 0.00 0.00 176.35 175.64 1rgw s GLN 18 N -0.11 0.12 0.14 1.70 -0.21 -1.19 -4.88 119.66 115.23 1rgw s GLN 18 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.63 1rgw s GLN 18 Cb -0.13 -0.03 0.00 0.00 1.00 0.00 0.00 33.01 33.84 1rgw s GLN 18 CO 0.03 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 1rgw n GLY 19 N 3.49 -2.20 0.00 3.09 0.00 -1.26 -3.33 105.19 104.98 1rgw n GLY 19 Ca -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1rgw n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgw n GLY 20 N -2.97 -1.74 0.29 -0.02 0.00 -1.22 -4.02 105.19 95.51 1rgw n GLY 20 Ca -0.01 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.00 1rgw n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rgw h LYS 21 N 0.00 0.06 0.00 1.61 1.63 -1.66 -1.85 116.57 116.36 1rgw h LYS 21 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1rgw h LYS 21 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1rgw h LYS 21 CO 0.00 0.04 0.00 0.38 -3.45 0.00 0.00 179.45 176.42 1rgw h ASP 22 N 0.06 0.00 0.27 4.20 3.04 -1.89 -1.36 116.42 120.74 1rgw h ASP 22 Ca 0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1rgw h ASP 22 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 1rgw h ASP 22 CO -0.01 0.00 -0.25 0.49 -2.04 0.00 0.00 179.24 177.44 1rgw n PHE 23 N -2.92 0.00 -1.31 4.15 3.01 -0.76 -4.91 117.46 114.71 1rgw n PHE 23 Ca 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.44 1rgw n PHE 23 Cb 0.34 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 39.66 1rgw n PHE 23 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1rgw n ASN 24 N -0.72 -3.14 -5.00 4.37 2.85 -0.51 -5.00 115.26 108.11 1rgw n ASN 24 Ca 0.12 0.07 -0.18 0.00 -0.11 0.00 0.00 54.58 54.48 1rgw n ASN 24 Cb 0.34 -1.31 0.02 0.00 1.24 0.00 0.00 39.78 40.08 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1rgw s MET 25 N -2.72 2.68 0.76 1.20 -1.94 -0.82 -4.97 119.30 113.48 1rgw s MET 25 Ca 0.00 -1.23 -0.11 0.00 -1.71 0.00 0.00 55.69 52.64 1rgw s MET 25 Cb 0.00 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.20 1rgw s MET 25 CO 0.00 -0.46 1.08 -1.25 -0.01 0.00 0.00 175.02 174.39 1rgw s PRO 26 N -4.48 2.40 -0.70 2.03 0.05 -1.26 -3.81 135.00 129.23 1rgw s PRO 26 Ca 0.57 1.11 -0.26 0.00 0.05 0.00 0.00 61.00 62.47 1rgw s PRO 26 Cb -0.09 -1.92 0.04 0.00 0.05 0.00 0.00 34.50 32.58 1rgw s PRO 26 CO 0.35 -1.53 1.18 -1.17 0.05 0.00 0.00 177.00 175.88 1rgw s LEU 27 N -5.84 3.53 0.09 -3.56 0.20 -1.26 -3.45 118.68 108.39 1rgw s LEU 27 Ca 0.60 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.93 1rgw s LEU 27 Cb -0.16 -2.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.96 1rgw s LEU 27 CO 0.56 -1.68 0.12 0.42 -0.29 0.00 0.00 176.35 175.48 1rgw s THR 28 N 5.17 4.74 0.04 3.68 -4.23 -1.21 -1.00 115.64 122.82 1rgw s THR 28 Ca 0.32 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1rgw s THR 28 Cb -0.10 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1rgw s THR 28 CO 0.15 0.09 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.64 1rgw s ILE 29 N -1.48 3.77 0.00 2.99 -1.09 -0.36 -3.15 121.20 121.88 1rgw s ILE 29 Ca 0.31 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1rgw s ILE 29 Cb -0.12 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1rgw s ILE 29 CO 0.24 0.29 0.00 -0.24 -1.23 0.00 0.00 174.94 173.99 1rgw n SER 30 N 1.18 0.00 -3.96 3.58 2.88 0.36 -3.23 113.62 114.43 1rgw n SER 30 Ca -0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.31 1rgw n SER 30 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1rgw n SER 30 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1rgw s ARG 31 N 0.17 0.58 0.22 -1.46 0.52 -1.25 -4.48 118.95 113.25 1rgw s ARG 31 Ca 0.00 -0.86 -0.23 0.00 -0.52 0.00 0.00 55.73 54.12 1rgw s ARG 31 Cb 0.00 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.61 1rgw s ARG 31 CO 0.00 -0.14 0.80 0.42 0.02 0.00 0.00 175.30 176.40 1rgw s ILE 32 N -2.87 4.40 -0.01 1.52 1.09 -1.26 -1.88 121.20 122.19 1rgw s ILE 32 Ca -0.03 1.57 -0.24 0.00 -1.10 0.00 0.00 60.65 60.86 1rgw s ILE 32 Cb 0.00 -4.00 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 1rgw s ILE 32 CO -0.06 0.31 0.72 -0.89 -0.10 0.00 0.00 174.94 174.92 1rgw s THR 33 N -1.40 4.90 0.75 2.92 2.01 0.69 -4.98 115.64 120.52 1rgw s THR 33 Ca 0.42 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.81 1rgw s THR 33 Cb -0.20 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.30 1rgw s THR 33 CO 0.24 0.32 1.09 -2.16 -0.69 0.00 0.00 174.62 173.41 1rgw s PRO 34 N 0.34 2.42 0.00 4.92 0.04 -1.26 -3.80 135.00 137.65 1rgw s PRO 34 Ca 0.37 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1rgw s PRO 34 Cb -0.19 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1rgw s PRO 34 CO 0.20 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1rgw n GLY 35 N -1.20 2.85 1.93 0.56 0.00 -1.26 -5.00 105.19 103.07 1rgw n GLY 35 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1rgw n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgw n SER 36 N 0.39 0.81 0.06 1.61 2.88 -1.25 -4.90 113.62 113.22 1rgw n SER 36 Ca 0.00 -1.64 -0.05 0.00 -1.33 0.00 0.00 58.87 55.85 1rgw n SER 36 Cb 0.00 -0.28 0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1rgw n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1rgw h LYS 37 N 0.00 0.34 -0.02 -1.46 6.56 -1.85 -2.09 116.57 118.05 1rgw h LYS 37 Ca -0.15 -0.20 0.01 0.00 -1.06 0.00 0.00 60.65 59.24 1rgw h LYS 37 Cb 0.61 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1rgw h LYS 37 CO 0.18 0.77 0.03 0.00 -2.06 0.00 0.00 179.45 178.38 1rgw h ALA 38 N 1.19 1.43 0.00 3.86 0.00 -1.29 -1.65 119.26 122.80 1rgw h ALA 38 Ca 0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1rgw h ALA 38 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1rgw h ALA 38 CO 0.08 -0.04 -1.09 0.00 0.00 0.00 0.00 179.25 178.20 1rgw h ALA 39 N 1.96 0.23 -0.68 0.00 0.00 -1.64 -3.35 119.26 115.77 1rgw h ALA 39 Ca 0.01 -1.12 0.03 0.00 0.00 0.00 0.00 54.91 53.83 1rgw h ALA 39 Cb 0.07 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1rgw h ALA 39 CO -0.00 0.61 0.43 1.96 0.00 0.00 0.00 179.25 182.25 1rgw h GLN 40 N -1.00 0.82 0.00 0.00 1.08 -1.14 -3.47 115.11 111.41 1rgw h GLN 40 Ca -0.30 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1rgw h GLN 40 Cb 1.26 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1rgw h GLN 40 CO -0.18 0.54 0.00 0.45 -0.95 0.00 0.00 178.83 178.69 1rgw n SER 41 N -4.67 0.00 0.04 1.46 2.88 -0.64 -5.01 113.62 107.68 1rgw n SER 41 Ca 0.07 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 1rgw n SER 41 Cb 0.07 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.40 1rgw n SER 41 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1rgw h GLN 42 N 0.00 0.40 -7.18 -1.46 1.08 -1.90 -3.45 115.11 102.60 1rgw h GLN 42 Ca 0.00 -0.55 -0.52 0.00 -1.45 0.00 0.00 58.65 56.13 1rgw h GLN 42 Cb 0.00 0.19 0.12 0.00 -0.05 0.00 0.00 27.48 27.73 1rgw h GLN 42 CO 0.00 1.22 0.38 -0.48 -0.95 0.00 0.00 178.83 179.01 1rgw s LEU 43 N -8.04 3.39 -0.40 1.46 -0.00 -1.26 -5.03 118.68 108.80 1rgw s LEU 43 Ca -0.13 2.13 0.04 0.00 -0.00 0.00 0.00 54.13 56.17 1rgw s LEU 43 Cb 0.03 -4.57 0.16 0.00 -0.00 0.00 0.00 46.19 41.81 1rgw s LEU 43 CO 0.85 -1.82 0.41 -0.44 -0.00 0.00 0.00 176.35 175.35 1rgw s SER 44 N -2.34 0.97 -0.40 1.48 0.01 -1.26 -4.57 113.70 107.60 1rgw s SER 44 Ca 0.70 -1.98 -0.42 0.00 1.31 0.00 0.00 55.95 55.56 1rgw s SER 44 Cb -0.24 0.46 -0.17 0.00 0.21 0.00 0.00 66.02 66.29 1rgw s SER 44 CO 0.42 -0.21 1.83 0.00 0.41 0.00 0.00 173.24 175.68 1rgw n GLN 45 N 3.74 0.56 0.00 12.44 6.02 -1.26 -4.78 117.38 134.09 1rgw n GLN 45 Ca 0.16 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1rgw n GLN 45 Cb 0.47 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1rgw n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rgw n GLY 46 N 5.05 -0.29 0.00 1.08 0.00 -1.26 -4.39 105.19 105.37 1rgw n GLY 46 Ca 0.35 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1rgw n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rgw n ASP 47 N 0.00 0.00 -4.54 1.61 2.03 -1.20 -4.83 116.55 109.62 1rgw n ASP 47 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1rgw n ASP 47 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rgw s LEU 48 N 0.00 4.24 0.08 -2.67 2.01 -1.26 -1.23 118.68 119.85 1rgw s LEU 48 Ca 0.00 -0.08 -0.29 0.00 0.01 0.00 0.00 54.13 53.77 1rgw s LEU 48 Cb 0.00 -2.97 -0.05 0.00 0.01 0.00 0.00 46.19 43.17 1rgw s LEU 48 CO 0.00 -0.91 0.91 -0.69 1.01 0.00 0.00 176.35 176.67 1rgw s VAL 49 N 3.30 4.60 -0.08 -1.59 1.01 -0.17 -1.40 120.40 126.06 1rgw s VAL 49 Ca 0.30 1.96 -0.05 0.00 0.00 0.00 0.00 61.98 64.19 1rgw s VAL 49 Cb -0.12 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1rgw s VAL 49 CO 0.23 0.31 -0.11 0.52 0.00 0.00 0.00 175.10 176.05 1rgw n VAL 50 N 2.91 0.83 -4.59 2.92 0.31 0.18 -4.45 118.33 116.44 1rgw n VAL 50 Ca 0.01 0.33 -0.27 0.00 -0.01 0.00 0.00 64.34 64.41 1rgw n VAL 50 Cb 0.50 -2.02 -0.14 0.00 -0.91 0.00 0.00 33.84 31.26 1rgw n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rgw s ALA 51 N -2.84 1.94 -0.09 3.52 0.00 -0.44 -0.95 121.76 122.89 1rgw s ALA 51 Ca -0.09 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1rgw s ALA 51 Cb 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1rgw s ALA 51 CO 0.13 0.43 -0.14 -1.50 0.00 0.00 0.00 175.76 174.68 1rgw s ILE 52 N -0.90 1.37 -1.04 0.00 2.07 0.44 -1.43 121.20 121.71 1rgw s ILE 52 Ca 0.09 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.74 1rgw s ILE 52 Cb -0.09 -1.26 0.00 0.00 0.13 0.00 0.00 42.46 41.24 1rgw s ILE 52 CO 0.03 0.41 0.00 -0.90 -1.91 0.00 0.00 174.94 172.57 1rgw n ASP 53 N 4.04 -2.86 0.00 4.50 5.68 -0.30 -0.10 116.55 127.51 1rgw n ASP 53 Ca -0.20 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1rgw n ASP 53 Cb 0.51 -2.70 0.00 0.00 -1.14 0.00 0.00 41.12 37.79 1rgw n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rgw n GLY 54 N -0.32 0.26 3.47 6.12 0.00 -1.13 -4.75 105.19 108.85 1rgw n GLY 54 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1rgw n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgw s VAL 55 N -2.05 3.90 0.18 1.61 1.01 0.85 -4.98 120.40 120.91 1rgw s VAL 55 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1rgw s VAL 55 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1rgw s VAL 55 CO 0.00 0.46 1.15 0.54 0.00 0.00 0.00 175.10 177.25 1rgw s ASN 56 N 0.68 7.17 -0.05 3.32 4.22 -1.26 -0.42 114.94 128.60 1rgw s ASN 56 Ca -0.01 2.16 -0.05 0.00 -2.14 0.00 0.00 52.86 52.82 1rgw s ASN 56 Cb -0.14 -2.61 -0.19 0.00 1.28 0.00 0.00 41.25 39.60 1rgw s ASN 56 CO 0.02 -0.30 3.25 0.35 -2.04 0.00 0.00 177.10 178.38 1rgw n THR 57 N 2.45 2.86 0.06 0.54 -2.24 -0.13 -4.64 114.28 113.19 1rgw n THR 57 Ca 0.04 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.21 1rgw n THR 57 Cb 0.45 -1.87 -0.08 0.00 -2.10 0.00 0.00 70.33 66.74 1rgw n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rgw h ASP 58 N 2.64 -0.06 0.00 3.42 5.19 -1.92 -3.34 116.42 122.35 1rgw h ASP 58 Ca 0.18 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1rgw h ASP 58 Cb 1.35 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1rgw h ASP 58 CO 0.26 0.05 -0.90 1.07 -3.12 0.00 0.00 179.24 176.61 1rgw n THR 59 N -5.07 0.00 -1.80 0.35 5.66 -1.26 -5.00 114.28 107.16 1rgw n THR 59 Ca -0.08 -0.25 -0.41 0.00 -3.05 0.00 0.00 64.05 60.26 1rgw n THR 59 Cb 0.10 0.71 -0.01 0.00 -1.55 0.00 0.00 70.33 69.57 1rgw n THR 59 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1rgw s MET 60 N -2.32 4.13 0.55 1.09 -1.94 -1.26 -4.89 119.30 114.66 1rgw s MET 60 Ca 0.01 2.56 0.04 0.00 -1.71 0.00 0.00 55.69 56.59 1rgw s MET 60 Cb 0.08 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.94 1rgw s MET 60 CO 0.45 -0.59 0.33 0.95 -0.01 0.00 0.00 175.02 176.15 1rgw s THR 61 N -0.34 1.48 0.13 2.05 -4.23 -1.26 -3.71 115.64 109.76 1rgw s THR 61 Ca 0.60 -1.59 -0.23 0.00 -1.18 0.00 0.00 61.69 59.29 1rgw s THR 61 Cb -0.47 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1rgw s THR 61 CO 0.52 0.00 1.66 1.12 -0.54 0.00 0.00 174.62 177.38 1rgw h HIS 62 N 0.83 -0.46 -0.53 3.99 2.07 -1.91 0.13 115.15 119.26 1rgw h HIS 62 Ca -0.38 0.02 0.11 0.00 -2.85 0.00 0.00 60.37 57.27 1rgw h HIS 62 Cb 1.31 0.22 -0.09 0.00 2.57 0.00 0.00 27.41 31.42 1rgw h HIS 62 CO 1.13 -0.25 -0.05 1.25 -3.07 0.00 0.00 177.93 176.94 1rgw h LEU 63 N -0.24 -0.34 -0.14 6.12 5.85 -1.97 -1.46 115.31 123.13 1rgw h LEU 63 Ca 0.09 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1rgw h LEU 63 Cb 0.37 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1rgw h LEU 63 CO -0.24 -0.12 0.06 -0.08 -0.34 0.00 0.00 178.44 177.71 1rgw h GLU 64 N 0.07 0.22 -0.91 1.25 4.81 -1.85 -1.87 114.58 116.30 1rgw h GLU 64 Ca 0.27 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1rgw h GLU 64 Cb 0.41 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1rgw h GLU 64 CO -0.49 0.31 0.59 0.00 -0.73 0.00 0.00 179.01 178.69 1rgw h ALA 65 N 0.90 1.45 0.17 2.92 0.00 -0.70 0.20 119.26 124.20 1rgw h ALA 65 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rgw h ALA 65 Cb 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1rgw h ALA 65 CO -0.00 0.45 -0.24 1.96 0.00 0.00 0.00 179.25 181.42 1rgw h GLN 66 N 1.11 -0.45 -0.06 0.00 4.20 -1.16 -2.24 115.11 116.50 1rgw h GLN 66 Ca 0.37 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.08 1rgw h GLN 66 Cb 0.06 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1rgw h GLN 66 CO -0.12 -0.30 -0.09 -0.91 -0.67 0.00 0.00 178.83 176.74 1rgw h ASN 67 N -0.47 0.08 0.52 1.46 2.35 -0.57 -1.53 115.58 117.43 1rgw h ASN 67 Ca 0.01 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1rgw h ASN 67 Cb 0.47 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.82 1rgw h ASN 67 CO -0.10 0.19 -0.25 0.11 -1.65 0.00 0.00 177.43 175.73 1rgw h LYS 68 N 0.09 -0.68 -0.49 0.81 1.79 -0.52 -3.06 116.57 114.52 1rgw h LYS 68 Ca 0.02 0.05 0.10 0.00 -2.18 0.00 0.00 60.65 58.63 1rgw h LYS 68 Cb 0.22 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 1rgw h LYS 68 CO 0.01 -0.45 -0.22 0.82 -1.08 0.00 0.00 179.45 178.53 1rgw h ILE 69 N -1.14 0.34 0.00 1.86 2.04 -1.37 -2.38 117.51 116.87 1rgw h ILE 69 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1rgw h ILE 69 Cb 0.54 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1rgw h ILE 69 CO 0.12 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.56 1rgw n LYS 70 N -5.41 0.78 0.00 2.37 4.01 -0.58 -2.00 118.16 117.34 1rgw n LYS 70 Ca 0.04 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.93 1rgw n LYS 70 Cb 0.31 -1.26 -0.10 0.00 -0.51 0.00 0.00 35.03 33.48 1rgw n LYS 70 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1rgw n SER 71 N -0.76 1.11 -4.95 4.39 7.64 -0.90 -5.01 113.62 115.15 1rgw n SER 71 Ca 0.10 -1.05 -0.23 0.00 1.01 0.00 0.00 58.87 58.69 1rgw n SER 71 Cb 0.04 0.92 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 1rgw n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgw s ALA 72 N -2.83 3.75 0.04 -0.43 0.00 -0.85 -4.98 121.76 116.46 1rgw s ALA 72 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1rgw s ALA 72 Cb 0.16 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1rgw s ALA 72 CO 0.79 0.05 0.00 -1.13 0.00 0.00 0.00 175.76 175.47 1rgw n SER 73 N -1.67 -0.37 0.09 0.00 3.41 -1.26 -4.84 113.62 108.97 1rgw n SER 73 Ca -0.06 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.56 1rgw n SER 73 Cb 0.56 0.78 0.01 0.00 -0.26 0.00 0.00 64.21 65.31 1rgw n SER 73 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1rgw h TYR 74 N 0.00 0.26 -2.53 7.33 0.05 -1.94 -1.81 116.97 118.33 1rgw h TYR 74 Ca 0.00 -0.14 -0.20 0.00 0.05 0.00 0.00 58.73 58.44 1rgw h TYR 74 Cb 0.00 -0.03 -0.32 0.00 1.01 0.00 0.00 36.73 37.39 1rgw h TYR 74 CO 0.00 0.93 -0.51 1.21 -1.05 0.00 0.00 178.16 178.74 1rgw s ASN 75 N -6.91 0.44 -0.54 3.88 2.47 -1.26 -4.74 114.94 108.27 1rgw s ASN 75 Ca -0.03 0.42 0.04 0.00 0.42 0.00 0.00 52.86 53.71 1rgw s ASN 75 Cb 0.10 0.83 0.14 0.00 -1.45 0.00 0.00 41.25 40.88 1rgw s ASN 75 CO 0.82 -0.27 0.32 -0.22 -3.72 0.00 0.00 177.10 174.03 1rgw s LEU 76 N 2.46 3.94 -0.52 3.21 2.96 -0.64 -4.83 118.68 125.26 1rgw s LEU 76 Ca 0.04 -3.14 -0.16 0.00 -0.22 0.00 0.00 54.13 50.65 1rgw s LEU 76 Cb -0.13 -1.45 0.11 0.00 0.50 0.00 0.00 46.19 45.21 1rgw s LEU 76 CO -0.11 -0.20 0.48 -0.55 -1.32 0.00 0.00 176.35 174.64 1rgw s SER 77 N -0.43 6.18 -0.11 3.68 0.15 -1.26 -0.62 113.70 121.30 1rgw s SER 77 Ca 0.20 -1.58 -0.07 0.00 0.70 0.00 0.00 55.95 55.20 1rgw s SER 77 Cb -0.19 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1rgw s SER 77 CO -0.05 -0.80 0.15 -0.76 1.20 0.00 0.00 173.24 172.98 1rgw s LEU 78 N 1.70 4.39 -0.22 3.45 2.01 -0.43 -1.15 118.68 128.44 1rgw s LEU 78 Ca 0.04 0.47 -0.01 0.00 0.01 0.00 0.00 54.13 54.64 1rgw s LEU 78 Cb -0.27 -2.14 0.06 0.00 0.01 0.00 0.00 46.19 43.85 1rgw s LEU 78 CO 0.05 0.39 0.01 -0.89 1.01 0.00 0.00 176.35 176.92 1rgw s THR 79 N -1.06 0.89 0.24 5.49 2.01 -0.52 -1.70 115.64 121.00 1rgw s THR 79 Ca 0.16 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1rgw s THR 79 Cb -0.12 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1rgw s THR 79 CO 0.06 -0.21 0.07 -1.48 -0.69 0.00 0.00 174.62 172.37 1rgw s LEU 80 N 1.68 1.74 0.50 4.42 2.34 -1.12 0.51 118.68 128.75 1rgw s LEU 80 Ca -0.02 -1.34 -0.14 0.00 0.06 0.00 0.00 54.13 52.69 1rgw s LEU 80 Cb -0.18 0.00 -0.07 0.00 -0.56 0.00 0.00 46.19 45.38 1rgw s LEU 80 CO -0.09 -0.69 0.94 -1.10 -1.06 0.00 0.00 176.35 174.35 1rgw s GLN 81 N -4.01 3.86 0.00 1.48 -0.21 -0.49 -1.13 119.66 119.16 1rgw s GLN 81 Ca 0.35 0.81 0.17 0.00 0.02 0.00 0.00 55.36 56.70 1rgw s GLN 81 Cb 0.07 -2.19 0.51 0.00 1.00 0.00 0.00 33.01 32.40 1rgw s GLN 81 CO 0.12 -0.25 1.40 1.17 -2.12 0.00 0.00 175.29 175.60 1rgw n LYS 82 N -1.67 1.94 0.00 2.91 3.00 -0.12 -4.61 118.16 119.60 1rgw n LYS 82 Ca 0.05 -1.44 0.00 0.00 -0.00 0.00 0.00 58.31 56.93 1rgw n LYS 82 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1rgw n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rgw n SER 83 N 0.66 0.00 -4.72 3.14 2.88 -1.26 -4.96 113.62 109.36 1rgw n SER 83 Ca 0.15 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.29 1rgw n SER 83 Cb 0.37 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 1rgw n SER 83 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1rgw n LYS 84 N 0.00 1.95 0.00 -1.46 5.02 -1.26 -5.12 118.16 117.29 1rgw n LYS 84 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1rgw n LYS 84 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1rgw n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42