#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 1.56 0.03 -5.12 0.00 -1.26 -1.73 121.76 115.24 1rgw s ALA 2 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.55 1rgw s ALA 2 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1rgw s ALA 2 CO 0.00 0.00 -0.06 1.52 0.00 0.00 0.00 175.76 177.22 1rgw s TYR 3 N -2.84 2.90 -0.08 0.00 1.13 -0.64 -4.89 117.35 112.92 1rgw s TYR 3 Ca 0.15 -0.04 0.03 0.00 -1.41 0.00 0.00 57.07 55.79 1rgw s TYR 3 Cb -0.01 -1.58 0.01 0.00 -1.10 0.00 0.00 41.96 39.28 1rgw s TYR 3 CO 0.03 0.40 -0.15 -1.54 -2.51 0.00 0.00 175.55 171.78 1rgw s SER 4 N -1.66 2.11 -0.04 -0.18 1.04 -1.26 -2.90 113.70 110.81 1rgw s SER 4 Ca 0.19 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1rgw s SER 4 Cb -0.11 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.05 1rgw s SER 4 CO 0.10 0.06 0.11 0.54 0.98 0.00 0.00 173.24 175.02 1rgw s VAL 5 N 0.64 -0.01 -0.17 5.02 0.11 -0.97 -5.01 120.40 120.02 1rgw s VAL 5 Ca -0.15 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1rgw s VAL 5 Cb -0.16 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1rgw s VAL 5 CO 0.04 0.02 0.30 -0.89 -3.33 0.00 0.00 175.10 171.24 1rgw s THR 6 N 0.28 5.30 -0.03 5.04 2.01 -1.26 -1.94 115.64 125.04 1rgw s THR 6 Ca -0.02 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1rgw s THR 6 Cb -0.03 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1rgw s THR 6 CO -0.01 0.37 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.96 1rgw s LEU 7 N 0.59 2.91 0.15 4.42 2.96 -0.01 -4.92 118.68 124.78 1rgw s LEU 7 Ca 0.17 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1rgw s LEU 7 Cb -0.13 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1rgw s LEU 7 CO 0.04 0.32 -0.21 0.42 -1.32 0.00 0.00 176.35 175.61 1rgw s THR 8 N -0.84 1.94 0.00 3.68 -4.23 -1.26 -2.00 115.64 112.92 1rgw s THR 8 Ca 0.14 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1rgw s THR 8 Cb -0.11 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1rgw s THR 8 CO 0.03 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1rgw n GLY 9 N 0.53 4.78 3.59 3.99 0.00 -0.38 -5.03 105.19 112.66 1rgw n GLY 9 Ca -0.15 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.76 3.66 0.00 1.61 0.04 -1.26 -4.58 135.00 129.70 1rgw s PRO 10 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1rgw s PRO 10 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1rgw s PRO 10 CO 0.00 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1rgw n GLY 11 N 4.92 -1.63 3.76 0.56 0.00 -1.26 -5.11 105.19 106.42 1rgw n GLY 11 Ca 0.11 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1rgw n GLY 11 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgw s PRO 12 N -1.90 4.31 -0.04 1.61 0.02 -1.26 -4.97 135.00 132.77 1rgw s PRO 12 Ca 0.00 2.26 -0.22 0.00 0.02 0.00 0.00 61.00 63.06 1rgw s PRO 12 Cb 0.00 -3.09 -0.28 0.00 0.02 0.00 0.00 34.50 31.14 1rgw s PRO 12 CO 0.00 -0.31 0.96 -1.49 -0.33 0.00 0.00 177.00 175.83 1rgw h TRP 13 N 4.27 0.51 -0.94 6.54 4.06 -1.96 -3.42 115.95 125.01 1rgw h TRP 13 Ca -0.47 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.14 1rgw h TRP 13 Cb 1.22 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1rgw h TRP 13 CO 0.58 1.22 0.00 0.41 -3.56 0.00 0.00 178.44 177.09 1rgw n GLY 14 N 1.44 0.87 3.20 1.49 0.00 -1.26 -1.60 105.19 109.33 1rgw n GLY 14 Ca -0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.31 1.04 -0.19 1.61 -0.71 -1.26 0.00 117.98 116.16 1rgw s PHE 15 Ca 0.00 -0.97 -0.07 0.00 -1.04 0.00 0.00 56.93 54.85 1rgw s PHE 15 Cb 0.00 -0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 41.18 1rgw s PHE 15 CO 0.00 -0.19 0.04 1.03 -1.34 0.00 0.00 175.22 174.76 1rgw s ARG 16 N -3.88 3.81 -0.15 1.99 3.00 0.41 -4.82 118.95 119.31 1rgw s ARG 16 Ca 0.18 -0.42 -0.05 0.00 0.00 0.00 0.00 55.73 55.44 1rgw s ARG 16 Cb 0.06 -3.18 -0.03 0.00 0.00 0.00 0.00 34.95 31.80 1rgw s ARG 16 CO -0.00 0.13 0.02 -0.51 0.00 0.00 0.00 175.30 174.94 1rgw s LEU 17 N 0.72 3.60 0.05 2.53 1.02 -1.26 -0.65 118.68 124.69 1rgw s LEU 17 Ca 0.02 0.03 -0.05 0.00 0.02 0.00 0.00 54.13 54.16 1rgw s LEU 17 Cb -0.14 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 1rgw s LEU 17 CO 0.02 0.22 0.08 -1.10 0.02 0.00 0.00 176.35 175.59 1rgw s GLN 18 N 0.08 0.62 3.79 1.70 -1.52 -1.21 -4.88 119.66 118.24 1rgw s GLN 18 Ca 0.03 -0.86 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 1rgw s GLN 18 Cb -0.13 0.24 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 1rgw s GLN 18 CO 0.02 -0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 1rgw n GLY 19 N 0.56 0.57 0.00 3.09 0.00 -1.26 -2.62 105.19 105.53 1rgw n GLY 19 Ca -0.18 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 2.51 0.45 -0.02 0.00 -0.28 -4.43 105.19 103.41 1rgw n GLY 20 Ca 0.00 -1.99 0.26 0.00 0.00 0.00 0.00 46.02 44.29 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 0.23 -0.28 1.61 1.63 -1.75 -0.22 116.57 117.79 1rgw h LYS 21 Ca 0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1rgw h LYS 21 Cb 0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1rgw h LYS 21 CO 0.00 0.15 0.20 0.22 -3.45 0.00 0.00 179.45 176.57 1rgw h ASP 22 N 0.24 0.04 0.13 4.20 3.58 -1.89 -0.24 116.42 122.47 1rgw h ASP 22 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1rgw h ASP 22 Cb 1.70 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1rgw h ASP 22 CO -0.17 0.02 -0.54 0.49 -2.88 0.00 0.00 179.24 176.17 1rgw n PHE 23 N -4.46 0.00 -2.77 0.28 3.72 -0.19 -4.95 117.46 109.09 1rgw n PHE 23 Ca 0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1rgw n PHE 23 Cb 0.33 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 38.83 1rgw n PHE 23 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1rgw n ASN 24 N -0.72 -4.18 -4.91 4.37 2.85 -0.10 -5.02 115.26 107.56 1rgw n ASN 24 Ca 0.08 -0.19 -0.22 0.00 -0.11 0.00 0.00 54.58 54.15 1rgw n ASN 24 Cb 0.39 -3.00 -0.01 0.00 1.24 0.00 0.00 39.78 38.40 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 -5.29 2.46 0.85 1.20 -1.94 -0.65 -4.95 119.30 110.98 1rgw s MET 25 Ca 0.20 -1.64 -0.11 0.00 -1.71 0.00 0.00 55.69 52.44 1rgw s MET 25 Cb -0.09 -2.37 0.10 0.00 2.01 0.00 0.00 34.83 34.49 1rgw s MET 25 CO 0.25 -0.36 1.10 -1.25 -0.01 0.00 0.00 175.02 174.75 1rgw s PRO 26 N -4.23 1.62 -0.69 2.03 0.05 -1.26 -3.47 135.00 129.04 1rgw s PRO 26 Ca 0.47 1.18 -0.25 0.00 0.05 0.00 0.00 61.00 62.46 1rgw s PRO 26 Cb -0.04 -1.82 0.05 0.00 0.05 0.00 0.00 34.50 32.74 1rgw s PRO 26 CO 0.28 -2.09 1.10 -1.17 0.05 0.00 0.00 177.00 175.17 1rgw s LEU 27 N -6.20 3.83 0.30 -3.56 0.20 -1.26 -1.13 118.68 110.86 1rgw s LEU 27 Ca 0.63 -0.73 0.08 0.00 0.69 0.00 0.00 54.13 54.80 1rgw s LEU 27 Cb -0.19 -2.49 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 1rgw s LEU 27 CO 0.57 -1.61 0.21 0.42 -0.29 0.00 0.00 176.35 175.65 1rgw s THR 28 N 4.81 3.77 0.11 3.68 -4.23 -1.08 -0.57 115.64 122.13 1rgw s THR 28 Ca 0.28 -1.47 0.10 0.00 -1.18 0.00 0.00 61.69 59.42 1rgw s THR 28 Cb -0.13 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1rgw s THR 28 CO 0.13 -0.25 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.08 1rgw s ILE 29 N -2.26 2.05 0.00 2.99 1.01 -0.57 -3.29 121.20 121.13 1rgw s ILE 29 Ca 0.37 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1rgw s ILE 29 Cb -0.06 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1rgw s ILE 29 CO 0.25 0.08 0.00 -0.24 0.00 0.00 0.00 174.94 175.02 1rgw n SER 30 N 1.09 0.00 -3.56 3.58 2.88 0.18 -3.21 113.62 114.58 1rgw n SER 30 Ca -0.18 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1rgw n SER 30 Cb 0.53 -0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1rgw n SER 30 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1rgw s ARG 31 N -0.21 1.84 0.54 -1.46 3.00 -1.25 -4.52 118.95 116.89 1rgw s ARG 31 Ca 0.00 -1.33 -0.19 0.00 -1.00 0.00 0.00 55.73 53.20 1rgw s ARG 31 Cb 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 34.95 35.43 1rgw s ARG 31 CO 0.00 -0.81 1.11 0.42 0.00 0.00 0.00 175.30 176.02 1rgw s ILE 32 N -3.39 3.28 0.03 4.11 1.09 -1.25 -0.45 121.20 124.62 1rgw s ILE 32 Ca 0.20 0.79 -0.27 0.00 -1.10 0.00 0.00 60.65 60.26 1rgw s ILE 32 Cb -0.03 -3.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 1rgw s ILE 32 CO 0.11 -0.18 0.87 -0.89 -0.10 0.00 0.00 174.94 174.75 1rgw s THR 33 N -1.84 4.77 0.10 2.92 2.01 0.10 -4.80 115.64 118.90 1rgw s THR 33 Ca 0.71 1.84 -0.20 0.00 0.31 0.00 0.00 61.69 64.35 1rgw s THR 33 Cb -0.22 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1rgw s THR 33 CO 0.26 0.27 1.24 -2.65 -0.69 0.00 0.00 174.62 173.06 1rgw n PRO 34 N 3.29 -0.28 -1.51 4.92 -0.02 -1.26 -3.62 135.00 136.52 1rgw n PRO 34 Ca 0.01 1.22 -0.18 0.00 -2.02 0.00 0.00 63.50 62.53 1rgw n PRO 34 Cb 0.50 -1.81 0.09 0.00 -0.02 0.00 0.00 33.50 32.27 1rgw n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgw n GLY 35 N -1.16 5.88 0.00 -1.23 0.00 -1.26 -4.69 105.19 102.72 1rgw n GLY 35 Ca 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1rgw n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgw n SER 36 N -0.88 1.65 -0.26 1.61 7.64 -1.24 -4.98 113.62 117.17 1rgw n SER 36 Ca 0.42 -0.81 0.03 0.00 1.01 0.00 0.00 58.87 59.52 1rgw n SER 36 Cb 0.90 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.27 1rgw n SER 36 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1rgw h LYS 37 N 0.00 0.61 0.00 1.43 1.63 -1.80 -1.38 116.57 117.06 1rgw h LYS 37 Ca 0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1rgw h LYS 37 Cb 0.00 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1rgw h LYS 37 CO 0.00 0.40 -0.07 0.00 -3.45 0.00 0.00 179.45 176.33 1rgw h ALA 38 N 1.47 1.31 0.09 5.00 0.00 -1.53 -2.17 119.26 123.43 1rgw h ALA 38 Ca 0.38 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 1rgw h ALA 38 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rgw h ALA 38 CO -0.29 0.09 -0.98 0.00 0.00 0.00 0.00 179.25 178.07 1rgw h ALA 39 N 1.93 0.08 -0.56 0.00 0.00 -1.50 -3.40 119.26 115.80 1rgw h ALA 39 Ca -0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 1rgw h ALA 39 Cb 0.22 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rgw h ALA 39 CO 0.01 0.54 -0.09 0.37 0.00 0.00 0.00 179.25 180.08 1rgw h GLN 40 N -0.53 1.05 0.00 0.00 -0.00 -1.09 -3.46 115.11 111.08 1rgw h GLN 40 Ca -0.21 -0.38 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 1rgw h GLN 40 Cb 1.54 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.95 1rgw h GLN 40 CO 0.04 1.07 0.00 0.45 0.00 0.00 0.00 178.83 180.40 1rgw n SER 41 N -4.15 0.00 -0.82 -0.69 2.88 -0.84 -4.96 113.62 105.03 1rgw n SER 41 Ca 0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1rgw n SER 41 Cb 0.39 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.10 1rgw n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw n GLN 42 N 0.00 2.04 -2.58 -1.46 6.02 -1.26 -4.95 117.38 115.19 1rgw n GLN 42 Ca 0.00 -1.60 -0.34 0.00 -0.01 0.00 0.00 57.00 55.05 1rgw n GLN 42 Cb 0.00 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1rgw n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1rgw s LEU 43 N -1.17 3.88 -0.38 1.08 2.96 -1.26 -5.00 118.68 118.79 1rgw s LEU 43 Ca 0.32 1.91 0.12 0.00 -0.22 0.00 0.00 54.13 56.25 1rgw s LEU 43 Cb 0.17 -4.53 0.39 0.00 0.50 0.00 0.00 46.19 42.72 1rgw s LEU 43 CO 0.23 -0.70 1.05 -0.24 -1.32 0.00 0.00 176.35 175.37 1rgw n SER 44 N -0.85 -0.39 -4.52 3.68 2.88 -1.26 -4.85 113.62 108.31 1rgw n SER 44 Ca 0.09 -2.91 -0.41 0.00 -1.33 0.00 0.00 58.87 54.31 1rgw n SER 44 Cb 0.52 0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 64.30 1rgw n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw n GLN 45 N -0.05 0.94 0.00 -1.46 6.02 -1.26 -4.55 117.38 117.01 1rgw n GLN 45 Ca 0.09 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1rgw n GLN 45 Cb 0.77 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 29.21 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 6.20 0.00 0.00 1.08 0.00 -1.26 -3.93 105.19 107.28 1rgw n GLY 46 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.57 1.61 -0.08 -1.20 -4.77 116.55 107.54 1rgw n ASP 47 Ca 0.00 -0.70 -0.42 0.00 -1.51 0.00 0.00 54.79 52.16 1rgw n ASP 47 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1rgw s LEU 48 N 0.00 4.19 0.02 -2.67 2.01 -1.26 -1.50 118.68 119.46 1rgw s LEU 48 Ca 0.00 0.19 -0.28 0.00 0.01 0.00 0.00 54.13 54.05 1rgw s LEU 48 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 46.19 43.21 1rgw s LEU 48 CO 0.00 -0.75 0.89 -0.69 1.01 0.00 0.00 176.35 176.82 1rgw s VAL 49 N 3.05 4.81 -0.02 -1.59 1.01 0.27 -1.34 120.40 126.59 1rgw s VAL 49 Ca 0.29 1.88 -0.02 0.00 0.00 0.00 0.00 61.98 64.14 1rgw s VAL 49 Cb -0.13 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1rgw s VAL 49 CO 0.18 0.24 -0.03 0.52 0.00 0.00 0.00 175.10 176.00 1rgw n VAL 50 N 3.49 0.16 -4.57 2.92 0.31 0.48 -4.48 118.33 116.64 1rgw n VAL 50 Ca 0.03 0.46 -0.25 0.00 -0.01 0.00 0.00 64.34 64.57 1rgw n VAL 50 Cb 0.51 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.99 1.80 -0.14 3.52 0.00 -0.80 -0.98 121.76 122.17 1rgw s ALA 51 Ca -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1rgw s ALA 51 Cb 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1rgw s ALA 51 CO 0.04 0.40 -0.22 0.42 0.00 0.00 0.00 175.76 176.40 1rgw s ILE 52 N -0.89 2.05 -0.91 0.00 1.01 0.12 -1.61 121.20 120.97 1rgw s ILE 52 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1rgw s ILE 52 Cb -0.09 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1rgw s ILE 52 CO 0.02 0.55 0.00 0.47 0.00 0.00 0.00 174.94 175.98 1rgw n ASP 53 N 4.15 -5.46 0.00 3.58 8.00 0.06 -0.74 116.55 126.14 1rgw n ASP 53 Ca -0.20 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1rgw n ASP 53 Cb 0.51 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1rgw n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgw n GLY 54 N 0.37 1.89 3.78 0.44 0.00 -1.26 -4.97 105.19 105.44 1rgw n GLY 54 Ca -0.09 0.00 -0.36 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 -2.42 5.42 0.41 1.61 1.01 0.08 -4.97 120.40 121.54 1rgw s VAL 55 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1rgw s VAL 55 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 1rgw s VAL 55 CO 0.00 0.50 1.20 0.21 0.00 0.00 0.00 175.10 177.01 1rgw s ASN 56 N -0.15 6.43 -0.11 3.32 2.47 -1.26 -0.70 114.94 124.94 1rgw s ASN 56 Ca 0.12 2.42 0.05 0.00 0.42 0.00 0.00 52.86 55.87 1rgw s ASN 56 Cb -0.12 -2.62 0.33 0.00 -1.45 0.00 0.00 41.25 37.39 1rgw s ASN 56 CO 0.01 -0.74 1.05 0.35 -3.72 0.00 0.00 177.10 174.05 1rgw n THR 57 N 0.03 1.21 -0.30 -5.21 -2.24 -0.15 -4.56 114.28 103.05 1rgw n THR 57 Ca 0.04 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1rgw n THR 57 Cb 0.46 -0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.50 -1.12 -0.42 3.42 3.32 -1.91 -1.21 116.42 120.00 1rgw h ASP 58 Ca 0.03 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1rgw h ASP 58 Cb 1.17 0.62 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1rgw h ASP 58 CO 0.23 -0.29 0.00 1.07 -1.72 0.00 0.00 179.24 178.53 1rgw n THR 59 N -5.49 0.55 -3.49 0.35 5.66 -1.26 -4.93 114.28 105.66 1rgw n THR 59 Ca 0.10 -0.71 -0.37 0.00 -3.05 0.00 0.00 64.05 60.01 1rgw n THR 59 Cb 0.40 0.73 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 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 -1.45 3.91 0.35 1.09 -1.94 -0.46 -5.07 119.30 115.74 1rgw s MET 60 Ca 0.39 0.39 0.04 0.00 -1.71 0.00 0.00 55.69 54.80 1rgw s MET 60 Cb 0.22 -3.15 0.04 0.00 2.01 0.00 0.00 34.83 33.94 1rgw s MET 60 CO 0.30 0.65 0.33 0.25 -0.01 0.00 0.00 175.02 176.54 1rgw n THR 61 N 1.55 0.00 -0.06 2.05 -2.24 -1.26 -4.34 114.28 109.98 1rgw n THR 61 Ca -0.12 -1.34 -0.09 0.00 -2.27 0.00 0.00 64.05 60.23 1rgw n THR 61 Cb 0.52 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1rgw n THR 61 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rgw h HIS 62 N 0.45 -0.90 -0.17 4.78 2.76 -1.89 0.13 115.15 120.31 1rgw h HIS 62 Ca -0.21 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1rgw h HIS 62 Cb 0.80 0.43 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1rgw h HIS 62 CO 0.00 -0.39 0.10 1.25 -1.30 0.00 0.00 177.93 177.59 1rgw h LEU 63 N -0.32 0.21 -0.27 0.26 5.85 -1.96 -2.42 115.31 116.66 1rgw h LEU 63 Ca 0.13 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1rgw h LEU 63 Cb 0.54 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1rgw h LEU 63 CO -0.45 0.23 0.11 -0.08 -0.34 0.00 0.00 178.44 177.91 1rgw h GLU 64 N 0.18 0.41 -0.44 1.25 4.81 -1.89 -0.87 114.58 118.02 1rgw h GLU 64 Ca 0.06 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1rgw h GLU 64 Cb 0.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1rgw h GLU 64 CO -0.01 0.44 0.01 0.00 -0.73 0.00 0.00 179.01 178.72 1rgw h ALA 65 N 0.95 1.18 -0.13 2.92 0.00 -1.02 0.12 119.26 123.29 1rgw h ALA 65 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1rgw h ALA 65 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rgw h ALA 65 CO -0.01 0.53 -0.07 0.37 0.00 0.00 0.00 179.25 180.07 1rgw h GLN 66 N 0.67 -0.07 -0.51 0.00 5.75 -1.30 -1.78 115.11 117.89 1rgw h GLN 66 Ca 0.14 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1rgw h GLN 66 Cb 0.41 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1rgw h GLN 66 CO 0.02 -0.05 0.24 -0.91 -2.65 0.00 0.00 178.83 175.48 1rgw h ASN 67 N -0.07 0.66 0.32 -0.69 2.35 -0.62 -2.40 115.58 115.14 1rgw h ASN 67 Ca 0.07 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1rgw h ASN 67 Cb 0.18 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1rgw h ASN 67 CO -0.17 0.61 -0.16 0.11 -1.65 0.00 0.00 177.43 176.17 1rgw h LYS 68 N 0.67 -0.42 -0.78 0.81 1.79 -0.71 -2.84 116.57 115.08 1rgw h LYS 68 Ca 0.17 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.83 1rgw h LYS 68 Cb 0.12 0.10 -0.15 0.00 -1.58 0.00 0.00 32.23 30.72 1rgw h LYS 68 CO -0.02 -0.23 -0.21 0.82 -1.08 0.00 0.00 179.45 178.73 1rgw h ILE 69 N -0.50 0.20 0.00 1.86 2.04 -1.33 -2.20 117.51 117.58 1rgw h ILE 69 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1rgw h ILE 69 Cb 0.38 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1rgw h ILE 69 CO 0.07 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.51 1rgw n LYS 70 N -5.51 0.02 0.10 2.37 4.01 -0.90 -3.20 118.16 115.04 1rgw n LYS 70 Ca 0.11 0.19 0.09 0.00 -0.51 0.00 0.00 58.31 58.19 1rgw n LYS 70 Cb 0.40 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.42 1rgw n LYS 70 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1rgw h SER 71 N 0.00 0.00 -3.22 4.39 4.64 -1.17 -3.47 113.55 114.72 1rgw h SER 71 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1rgw h SER 71 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1rgw h SER 71 CO 0.00 0.14 -0.16 0.00 -0.87 0.00 0.00 176.83 175.93 1rgw s ALA 72 N -3.25 3.64 0.00 5.18 0.00 -1.19 -4.97 121.76 121.16 1rgw s ALA 72 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1rgw s ALA 72 Cb 0.09 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1rgw s ALA 72 CO 0.78 0.33 0.00 -1.13 0.00 0.00 0.00 175.76 175.74 1rgw n SER 73 N -0.72 0.00 0.07 0.00 3.41 -1.26 -4.88 113.62 110.23 1rgw n SER 73 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 1rgw n SER 73 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 1rgw n SER 73 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1rgw h TYR 74 N 0.00 0.62 -2.93 7.33 5.03 -1.87 -1.01 116.97 124.14 1rgw h TYR 74 Ca 0.00 -0.45 -0.17 0.00 2.58 0.00 0.00 58.73 60.69 1rgw h TYR 74 Cb 0.00 -0.02 -0.29 0.00 1.55 0.00 0.00 36.73 37.97 1rgw h TYR 74 CO 0.00 1.53 -0.43 1.21 -1.32 0.00 0.00 178.16 179.15 1rgw s ASN 75 N -7.17 -0.33 -0.25 -2.11 2.47 -1.26 -4.72 114.94 101.57 1rgw s ASN 75 Ca -0.12 0.62 -0.01 0.00 0.42 0.00 0.00 52.86 53.76 1rgw s ASN 75 Cb 0.06 0.51 0.08 0.00 -1.45 0.00 0.00 41.25 40.44 1rgw s ASN 75 CO 0.86 -0.17 0.04 -0.22 -3.72 0.00 0.00 177.10 173.89 1rgw s LEU 76 N 1.21 2.00 -0.36 3.21 2.96 -0.85 -4.79 118.68 122.07 1rgw s LEU 76 Ca -0.09 -1.24 -0.09 0.00 -0.22 0.00 0.00 54.13 52.49 1rgw s LEU 76 Cb -0.09 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.77 1rgw s LEU 76 CO -0.09 -0.33 0.17 -0.44 -1.32 0.00 0.00 176.35 174.33 1rgw s SER 77 N 1.63 5.56 -0.12 3.68 0.01 -1.26 -0.83 113.70 122.37 1rgw s SER 77 Ca 0.02 -1.00 -0.05 0.00 1.31 0.00 0.00 55.95 56.24 1rgw s SER 77 Cb -0.18 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1rgw s SER 77 CO -0.14 -0.35 0.05 -0.76 0.41 0.00 0.00 173.24 172.45 1rgw s LEU 78 N 1.51 3.80 -0.28 2.44 2.01 -0.82 -0.76 118.68 126.58 1rgw s LEU 78 Ca 0.01 0.18 0.01 0.00 0.01 0.00 0.00 54.13 54.34 1rgw s LEU 78 Cb -0.19 -1.91 0.08 0.00 0.01 0.00 0.00 46.19 44.18 1rgw s LEU 78 CO 0.05 0.32 0.03 -0.89 1.01 0.00 0.00 176.35 176.87 1rgw s THR 79 N -0.51 1.37 0.23 5.49 2.01 -0.64 -2.28 115.64 121.31 1rgw s THR 79 Ca 0.10 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.66 1rgw s THR 79 Cb -0.12 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1rgw s THR 79 CO 0.02 -0.42 0.02 -1.48 -0.69 0.00 0.00 174.62 172.07 1rgw s LEU 80 N 1.41 2.05 0.86 4.42 2.34 -1.14 -0.39 118.68 128.23 1rgw s LEU 80 Ca 0.04 -1.25 -0.12 0.00 0.06 0.00 0.00 54.13 52.86 1rgw s LEU 80 Cb -0.18 -0.16 0.11 0.00 -0.56 0.00 0.00 46.19 45.39 1rgw s LEU 80 CO -0.14 -0.58 1.15 -1.10 -1.06 0.00 0.00 176.35 174.63 1rgw s GLN 81 N -3.91 1.59 -0.33 1.48 -0.21 -0.45 -1.63 119.66 116.21 1rgw s GLN 81 Ca 0.30 0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.90 1rgw s GLN 81 Cb 0.06 -1.90 0.08 0.00 1.00 0.00 0.00 33.01 32.25 1rgw s GLN 81 CO 0.09 -1.88 0.04 0.21 -2.12 0.00 0.00 175.29 171.63 1rgw s LYS 82 N -5.41 2.09 0.29 2.91 2.47 -0.70 -4.65 119.74 116.73 1rgw s LYS 82 Ca 0.63 -1.54 0.01 0.00 -1.56 0.00 0.00 55.97 53.50 1rgw s LYS 82 Cb -0.13 -3.23 -0.00 0.00 -1.46 0.00 0.00 37.83 33.01 1rgw s LYS 82 CO 0.51 -0.79 0.36 0.45 0.16 0.00 0.00 175.35 176.05 1rgw n SER 83 N 4.50 -1.00 -4.28 1.43 2.88 -1.26 -4.94 113.62 110.95 1rgw n SER 83 Ca -0.07 -2.65 -0.30 0.00 -1.33 0.00 0.00 58.87 54.52 1rgw n SER 83 Cb 0.42 1.94 -0.16 0.00 -0.75 0.00 0.00 64.21 65.67 1rgw n SER 83 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1rgw s LYS 84 N -2.79 2.08 0.00 -1.46 3.01 -1.26 -5.01 119.74 114.31 1rgw s LYS 84 Ca 0.27 -0.88 0.00 0.00 -1.01 0.00 0.00 55.97 54.34 1rgw s LYS 84 Cb -0.00 -1.96 0.00 0.00 -1.01 0.00 0.00 37.83 34.85 1rgw s LYS 84 CO 0.19 0.51 0.04 0.54 0.51 0.00 0.00 175.35 177.14