#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kaw s ILE 2 N 0.00 4.96 -0.18 -1.44 1.01 -1.26 -0.26 121.20 124.04 2kaw s ILE 2 Ca 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2kaw s ILE 2 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2kaw s ILE 2 CO 0.00 -0.02 -0.09 -0.63 0.00 0.00 0.00 174.94 174.20 2kaw s ILE 3 N 2.55 3.14 -0.36 2.92 1.01 0.34 -4.92 121.20 125.87 2kaw s ILE 3 Ca 0.26 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 2kaw s ILE 3 Cb -0.15 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2kaw s ILE 3 CO 0.09 0.48 0.39 -0.89 0.00 0.00 0.00 174.94 175.01 2kaw s THR 4 N 0.98 5.14 0.02 2.92 2.01 -1.26 -1.08 115.64 124.37 2kaw s THR 4 Ca -0.01 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.01 2kaw s THR 4 Cb -0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2kaw s THR 4 CO -0.01 -0.19 -0.23 0.68 -0.69 0.00 0.00 174.62 174.18 2kaw s VAL 5 N 2.06 1.85 -0.05 3.82 -7.23 -0.10 -4.97 120.40 115.78 2kaw s VAL 5 Ca 0.12 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2kaw s VAL 5 Cb -0.17 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2kaw s VAL 5 CO 0.12 0.35 0.02 0.28 -0.31 0.00 0.00 175.10 175.56 2kaw s THR 6 N -0.71 4.35 0.00 5.32 -1.32 -1.26 -0.68 115.64 121.35 2kaw s THR 6 Ca 0.09 -0.36 0.07 0.00 -1.21 0.00 0.00 61.69 60.28 2kaw s THR 6 Cb -0.09 -2.89 -0.03 0.00 -1.51 0.00 0.00 72.50 67.99 2kaw s THR 6 CO 0.01 0.51 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.97 2kaw s LEU 7 N -1.20 2.45 -0.33 9.08 1.43 0.95 -4.99 118.68 126.07 2kaw s LEU 7 Ca 0.16 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 2kaw s LEU 7 Cb -0.11 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2kaw s LEU 7 CO 0.06 0.29 0.76 0.21 0.23 0.00 0.00 176.35 177.91 2kaw s ASN 8 N -1.05 6.58 -0.12 2.29 3.84 -1.26 -3.46 114.94 121.76 2kaw s ASN 8 Ca 0.12 0.48 0.18 0.00 0.21 0.00 0.00 52.86 53.85 2kaw s ASN 8 Cb -0.10 -2.39 0.75 0.00 -0.55 0.00 0.00 41.25 38.95 2kaw s ASN 8 CO 0.02 -0.65 1.66 0.23 -2.79 0.00 0.00 177.10 175.57 2kaw n MET 9 N 6.26 3.87 -0.09 0.43 2.81 -1.26 -3.58 117.12 125.56 2kaw n MET 9 Ca 0.03 -2.94 -0.19 0.00 -1.81 0.00 0.00 57.70 52.78 2kaw n MET 9 Cb 0.48 -1.94 -0.12 0.00 -0.71 0.00 0.00 33.22 30.94 2kaw n MET 9 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2kaw h GLU 10 N 4.18 0.00 0.00 0.03 4.39 -1.94 -3.38 114.58 117.87 2kaw h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kaw h GLU 10 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2kaw h GLU 10 CO 0.26 0.98 -0.74 -0.09 -1.16 0.00 0.00 179.01 178.26 2kaw h ARG 11 N -1.00 0.00 -5.83 2.33 2.43 -2.02 -3.45 114.38 106.84 2kaw h ARG 11 Ca -0.24 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.26 2kaw h ARG 11 Cb 1.20 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.56 2kaw h ARG 11 CO -0.15 0.00 -0.66 -1.01 -1.51 0.00 0.00 179.97 176.64 2kaw s HIS 12 N -3.30 3.04 -0.97 2.20 3.76 -1.23 -4.99 115.29 113.80 2kaw s HIS 12 Ca 0.02 -0.02 0.21 0.00 -0.15 0.00 0.00 55.06 55.13 2kaw s HIS 12 Cb 0.09 -1.81 -0.19 0.00 1.11 0.00 0.00 32.58 31.79 2kaw s HIS 12 CO 0.75 0.27 0.92 0.72 -0.85 0.00 0.00 174.74 176.55 2kaw n HIS 13 N 2.60 0.00 -3.92 1.40 8.25 -1.26 -4.47 115.22 117.81 2kaw n HIS 13 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 2kaw n HIS 13 Cb 0.53 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 2kaw n HIS 13 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2kaw s PHE 14 N -3.02 0.24 -0.08 4.41 -0.71 -1.26 -5.07 117.98 112.48 2kaw s PHE 14 Ca 0.08 -0.60 -0.07 0.00 -1.04 0.00 0.00 56.93 55.30 2kaw s PHE 14 Cb 0.16 0.20 -0.28 0.00 -1.21 0.00 0.00 43.02 41.90 2kaw s PHE 14 CO 0.86 -0.92 0.51 -0.07 -1.34 0.00 0.00 175.22 174.26 2kaw h LEU 15 N 2.29 0.46 -1.69 -1.99 3.38 -1.93 -0.43 115.31 115.39 2kaw h LEU 15 Ca -0.28 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.78 2kaw h LEU 15 Cb 1.25 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.87 2kaw h LEU 15 CO 0.38 1.76 -0.10 0.61 0.09 0.00 0.00 178.44 181.19 2kaw n GLY 16 N 1.91 0.45 2.84 0.83 0.00 -1.26 -1.39 105.19 108.57 2kaw n GLY 16 Ca -0.28 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2kaw n GLY 16 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kaw s ILE 17 N -3.05 -0.49 0.07 -0.61 -4.36 -1.26 -0.29 121.20 111.22 2kaw s ILE 17 Ca 0.02 -0.20 -0.31 0.00 -0.26 0.00 0.00 60.65 59.91 2kaw s ILE 17 Cb -0.01 -0.84 -0.06 0.00 1.25 0.00 0.00 42.46 42.81 2kaw s ILE 17 CO 0.09 -0.24 1.22 -0.94 0.24 0.00 0.00 174.94 175.32 2kaw s SER 18 N 2.45 7.05 -0.08 4.36 1.04 0.02 -4.91 113.70 123.62 2kaw s SER 18 Ca 0.10 2.07 -0.22 0.00 0.48 0.00 0.00 55.95 58.38 2kaw s SER 18 Cb -0.15 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2kaw s SER 18 CO -0.20 -0.49 0.66 -0.63 0.98 0.00 0.00 173.24 173.56 2kaw s ILE 19 N 1.01 5.07 -0.22 -1.02 -1.09 -1.26 0.24 121.20 123.94 2kaw s ILE 19 Ca 0.59 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 2kaw s ILE 19 Cb -0.31 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2kaw s ILE 19 CO 0.30 0.26 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.43 2kaw s VAL 20 N 0.81 2.24 0.01 2.92 1.01 0.69 -4.85 120.40 123.24 2kaw s VAL 20 Ca 0.35 -1.16 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2kaw s VAL 20 Cb -0.17 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2kaw s VAL 20 CO 0.16 0.31 0.82 -0.83 0.00 0.00 0.00 175.10 175.57 2kaw s GLY 21 N 1.24 2.79 -0.60 4.51 0.00 -1.26 -0.22 107.32 113.78 2kaw s GLY 21 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 2kaw s GLY 21 CO -0.09 1.31 0.92 1.62 0.00 0.00 0.00 173.10 176.87 2kaw s GLN 22 N 0.49 3.20 0.07 2.90 0.74 0.65 -4.97 119.66 122.74 2kaw s GLN 22 Ca 0.43 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 2kaw s GLN 22 Cb -0.20 -4.14 -0.05 0.00 1.10 0.00 0.00 33.01 29.72 2kaw s GLN 22 CO 0.23 -1.62 0.27 -1.12 -0.55 0.00 0.00 175.29 172.50 2kaw s SER 23 N 3.24 6.43 0.00 6.67 0.01 -1.26 -2.60 113.70 126.19 2kaw s SER 23 Ca 0.25 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2kaw s SER 23 Cb -0.15 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2kaw s SER 23 CO 0.14 0.15 0.00 -3.20 0.41 0.00 0.00 173.24 170.74 2kaw n ASN 24 N 0.44 0.00 -0.34 2.44 2.85 -1.26 -4.95 115.26 114.44 2kaw n ASN 24 Ca -0.06 -0.70 0.06 0.00 -0.11 0.00 0.00 54.58 53.77 2kaw n ASN 24 Cb 0.52 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.76 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2kaw h ASP 25 N 0.00 0.85 0.00 1.20 3.32 -2.05 -3.16 116.42 116.58 2kaw h ASP 25 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2kaw h ASP 25 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2kaw h ASP 25 CO 0.00 0.46 -0.03 0.03 -1.72 0.00 0.00 179.24 177.98 2kaw h ARG 26 N 0.94 0.00 0.00 3.56 2.47 -1.99 -3.49 114.38 115.87 2kaw h ARG 26 Ca 0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2kaw h ARG 26 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2kaw h ARG 26 CO -0.26 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.68 2kaw n GLY 27 N 1.87 1.14 1.93 0.04 0.00 -1.20 -4.98 105.19 104.00 2kaw n GLY 27 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2kaw n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kaw n ASP 28 N 0.00 5.92 0.09 1.61 5.75 -1.26 -4.46 116.55 124.20 2kaw n ASP 28 Ca 0.00 -2.80 -0.00 0.00 -0.01 0.00 0.00 54.79 51.98 2kaw n ASP 28 Cb 0.00 -1.19 0.29 0.00 -1.03 0.00 0.00 41.12 39.19 2kaw n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2kaw h GLY 29 N 3.45 0.29 0.00 6.12 0.00 -1.88 -3.49 103.07 107.55 2kaw h GLY 29 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2kaw h GLY 29 CO 0.47 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.83 2kaw n GLY 30 N -0.51 1.56 3.66 4.60 0.00 -1.25 -4.76 105.19 108.50 2kaw n GLY 30 Ca -0.01 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 2kaw n GLY 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kaw s ILE 31 N -2.14 4.94 0.24 -0.61 -4.36 -1.26 -0.25 121.20 117.75 2kaw s ILE 31 Ca 0.00 0.02 0.11 0.00 -0.26 0.00 0.00 60.65 60.52 2kaw s ILE 31 Cb 0.00 -3.23 -0.05 0.00 1.25 0.00 0.00 42.46 40.43 2kaw s ILE 31 CO 0.00 0.46 -0.18 -0.31 0.24 0.00 0.00 174.94 175.15 2kaw s TYR 32 N 0.33 2.38 -0.23 1.37 1.51 0.69 -1.20 117.35 122.19 2kaw s TYR 32 Ca 0.04 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2kaw s TYR 32 Cb -0.12 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2kaw s TYR 32 CO -0.00 0.61 1.14 0.42 -1.11 0.00 0.00 175.55 176.61 2kaw s ILE 33 N -2.09 4.47 -0.02 2.71 -1.09 0.74 -0.22 121.20 125.70 2kaw s ILE 33 Ca 0.26 1.76 -0.00 0.00 -2.23 0.00 0.00 60.65 60.44 2kaw s ILE 33 Cb -0.07 -4.21 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2kaw s ILE 33 CO 0.14 -0.24 -0.01 1.23 -1.23 0.00 0.00 174.94 174.83 2kaw h GLY 34 N 9.79 0.00 -5.18 6.18 0.00 -0.54 -0.27 103.07 113.05 2kaw h GLY 34 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 2kaw h GLY 34 CO 0.99 0.00 -0.74 -1.35 0.00 0.00 0.00 176.54 175.45 2kaw s SER 35 N -3.50 0.52 -0.15 0.19 1.04 -1.25 -4.70 113.70 105.85 2kaw s SER 35 Ca -0.01 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 2kaw s SER 35 Cb 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2kaw s SER 35 CO 0.01 -0.07 0.08 -0.63 0.98 0.00 0.00 173.24 173.61 2kaw s ILE 36 N -0.62 5.01 -0.12 -1.02 1.01 -1.26 -0.80 121.20 123.40 2kaw s ILE 36 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2kaw s ILE 36 Cb -0.05 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2kaw s ILE 36 CO -0.00 0.53 -0.03 -0.04 0.00 0.00 0.00 174.94 175.40 2kaw s MET 37 N -0.27 3.27 0.25 2.79 -1.94 0.60 -4.97 119.30 119.03 2kaw s MET 37 Ca 0.09 -0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 2kaw s MET 37 Cb -0.12 -2.81 -0.10 0.00 2.01 0.00 0.00 34.83 33.82 2kaw s MET 37 CO 0.01 0.47 1.40 0.21 -0.01 0.00 0.00 175.02 177.10 2kaw s LYS 38 N -0.25 4.30 0.00 2.03 2.47 -1.26 -2.72 119.74 124.31 2kaw s LYS 38 Ca 0.05 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.70 2kaw s LYS 38 Cb -0.13 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 2kaw s LYS 38 CO 0.02 -0.36 0.00 0.41 0.16 0.00 0.00 175.35 175.59 2kaw n GLY 39 N 2.04 1.62 3.90 5.54 0.00 -1.26 -5.07 105.19 111.97 2kaw n GLY 39 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2kaw n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kaw s GLY 40 N -2.26 1.61 0.34 -0.02 0.00 -1.10 -4.82 107.32 101.07 2kaw s GLY 40 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.17 2kaw s GLY 40 CO 0.00 -0.25 1.98 0.00 0.00 0.00 0.00 173.10 174.83 2kaw h ALA 41 N -0.36 1.50 -0.17 3.20 0.00 -0.42 -2.22 119.26 120.79 2kaw h ALA 41 Ca -0.45 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2kaw h ALA 41 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kaw h ALA 41 CO 0.62 0.44 -0.53 0.28 0.00 0.00 0.00 179.25 180.05 2kaw h VAL 42 N 0.84 1.33 0.00 0.00 2.07 -1.50 -2.66 116.25 116.33 2kaw h VAL 42 Ca 0.22 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2kaw h VAL 42 Cb -0.03 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kaw h VAL 42 CO -0.04 0.55 -0.09 0.00 0.02 0.00 0.00 177.57 178.01 2kaw h ALA 43 N 1.05 1.15 0.00 1.67 0.00 -1.56 -0.83 119.26 120.74 2kaw h ALA 43 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kaw h ALA 43 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kaw h ALA 43 CO 0.10 0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.32 2kaw n ALA 44 N -2.20 2.44 -0.33 0.00 0.00 -1.01 -4.31 120.51 115.10 2kaw n ALA 44 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kaw n ALA 44 Cb 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2kaw n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kaw n ASP 45 N -2.18 0.00 0.00 0.00 -0.08 -0.34 -5.02 116.55 108.92 2kaw n ASP 45 Ca 0.05 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2kaw n ASP 45 Cb 0.43 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.55 2kaw n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kaw n GLY 46 N 2.02 2.86 0.15 0.27 0.00 -1.05 -4.94 105.19 104.50 2kaw n GLY 46 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kaw n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kaw h ARG 47 N 1.56 0.09 -6.31 1.61 3.08 -1.96 -3.43 114.38 109.02 2kaw h ARG 47 Ca 0.00 -0.07 -0.55 0.00 0.07 0.00 0.00 59.98 59.43 2kaw h ARG 47 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2kaw h ARG 47 CO 0.00 0.69 0.09 0.42 -1.07 0.00 0.00 179.97 180.10 2kaw s ILE 48 N -3.64 4.66 0.09 2.04 1.01 -1.26 -5.07 121.20 119.02 2kaw s ILE 48 Ca -0.02 1.48 -0.03 0.00 0.00 0.00 0.00 60.65 62.08 2kaw s ILE 48 Cb 0.12 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2kaw s ILE 48 CO 0.78 0.47 0.05 -1.83 0.00 0.00 0.00 174.94 174.40 2kaw s GLU 49 N -0.66 0.78 0.17 2.79 -1.05 -1.26 -5.00 118.70 114.47 2kaw s GLU 49 Ca 0.34 -1.25 -0.34 0.00 -0.15 0.00 0.00 54.97 53.57 2kaw s GLU 49 Cb -0.21 0.25 -0.14 0.00 -0.44 0.00 0.00 34.13 33.60 2kaw s GLU 49 CO 0.22 -0.20 1.60 -2.30 0.95 0.00 0.00 175.26 175.53 2kaw n PRO 50 N -0.00 2.26 0.00 -4.83 -0.02 -1.26 -1.91 135.00 129.23 2kaw n PRO 50 Ca -0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2kaw n PRO 50 Cb 0.62 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2kaw n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kaw n GLY 51 N 3.52 1.56 3.74 -1.23 0.00 -0.11 -4.98 105.19 107.68 2kaw n GLY 51 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2kaw n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kaw s ASP 52 N -1.80 6.92 -0.16 1.61 1.01 -0.80 -4.69 116.67 118.75 2kaw s ASP 52 Ca 0.00 2.40 -0.13 0.00 0.71 0.00 0.00 52.55 55.52 2kaw s ASP 52 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2kaw s ASP 52 CO 0.00 -0.50 0.27 -0.32 0.21 0.00 0.00 175.17 174.82 2kaw s MET 53 N -0.25 4.23 -0.16 8.23 -2.45 -1.11 -0.19 119.30 127.60 2kaw s MET 53 Ca 0.56 0.05 -0.22 0.00 -1.25 0.00 0.00 55.69 54.82 2kaw s MET 53 Cb -0.36 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.27 2kaw s MET 53 CO 0.39 0.26 0.67 -0.51 1.05 0.00 0.00 175.02 176.88 2kaw s LEU 54 N 0.40 4.20 0.00 4.11 1.43 -0.34 0.48 118.68 128.96 2kaw s LEU 54 Ca 0.15 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2kaw s LEU 54 Cb -0.13 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2kaw s LEU 54 CO 0.03 -0.24 0.00 0.18 0.23 0.00 0.00 176.35 176.55 2kaw n LEU 55 N 4.67 0.00 -4.43 1.79 4.77 -0.77 -4.51 117.00 118.52 2kaw n LEU 55 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 2kaw n LEU 55 Cb 0.50 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 2kaw n LEU 55 CO 0.45 -0.44 -0.41 -1.58 -1.33 0.00 0.00 177.39 174.08 2kaw s GLN 56 N -0.88 3.41 -0.30 3.23 0.74 -1.26 -0.18 119.66 124.43 2kaw s GLN 56 Ca 0.00 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 54.81 2kaw s GLN 56 Cb 0.00 -2.71 0.09 0.00 1.10 0.00 0.00 33.01 31.48 2kaw s GLN 56 CO 0.00 0.27 0.01 0.08 -0.55 0.00 0.00 175.29 175.10 2kaw s VAL 57 N 0.23 1.92 -0.73 1.34 1.01 0.33 -2.05 120.40 122.44 2kaw s VAL 57 Ca -0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 2kaw s VAL 57 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2kaw s VAL 57 CO 0.04 -0.43 0.67 0.59 0.00 0.00 0.00 175.10 175.98 2kaw n ASN 58 N 4.45 -7.13 0.00 3.32 4.13 -0.80 -3.32 115.26 115.91 2kaw n ASN 58 Ca -0.03 -0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.01 2kaw n ASN 58 Cb 0.42 -4.46 0.00 0.00 -1.54 0.00 0.00 39.78 34.21 2kaw n ASN 58 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kaw n ASP 59 N -1.82 0.00 -4.70 6.41 8.00 -1.26 -4.93 116.55 118.25 2kaw n ASP 59 Ca -0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 2kaw n ASP 59 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 2kaw n ASP 59 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kaw s VAL 60 N 0.00 3.38 -0.20 2.53 -7.23 -1.21 -5.00 120.40 112.67 2kaw s VAL 60 Ca 0.00 0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 60.95 2kaw s VAL 60 Cb 0.00 -3.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 2kaw s VAL 60 CO 0.00 0.03 0.16 0.21 -0.31 0.00 0.00 175.10 175.19 2kaw s ASN 61 N 1.66 6.23 -0.11 4.85 2.47 -1.26 -0.51 114.94 128.27 2kaw s ASN 61 Ca 0.66 0.26 0.18 0.00 0.42 0.00 0.00 52.86 54.38 2kaw s ASN 61 Cb -0.36 -2.11 0.67 0.00 -1.45 0.00 0.00 41.25 38.01 2kaw s ASN 61 CO 0.29 0.15 1.58 0.49 -3.72 0.00 0.00 177.10 175.89 2kaw n PHE 62 N 3.63 1.35 0.39 0.43 3.72 0.75 -4.41 117.46 123.33 2kaw n PHE 62 Ca -0.15 -0.63 0.12 0.00 -0.05 0.00 0.00 57.45 56.74 2kaw n PHE 62 Cb 0.52 -0.23 0.50 0.00 -0.94 0.00 0.00 39.48 39.33 2kaw n PHE 62 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2kaw n GLU 63 N 0.92 0.21 -0.07 -1.08 1.02 -1.26 -2.38 120.64 118.01 2kaw n GLU 63 Ca 0.24 0.43 0.07 0.00 -0.02 0.00 0.00 57.16 57.89 2kaw n GLU 63 Cb 0.85 -1.90 0.10 0.00 -0.02 0.00 0.00 31.44 30.48 2kaw n GLU 63 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kaw n ASN 64 N -2.29 2.18 -4.33 1.62 3.02 -1.26 -5.02 115.26 109.19 2kaw n ASN 64 Ca 0.02 -2.80 -0.26 0.00 -0.03 0.00 0.00 54.58 51.51 2kaw n ASN 64 Cb 0.23 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.95 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kaw s MET 65 N -2.36 1.26 0.76 3.52 -1.94 -1.00 -5.13 119.30 114.41 2kaw s MET 65 Ca 0.24 -1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 52.89 2kaw s MET 65 Cb 0.21 -1.61 0.05 0.00 2.01 0.00 0.00 34.83 35.49 2kaw s MET 65 CO 0.02 0.38 1.08 -1.12 -0.01 0.00 0.00 175.02 175.37 2kaw s SER 66 N -1.91 4.72 0.24 3.03 0.01 -1.26 -4.75 113.70 113.79 2kaw s SER 66 Ca 0.10 1.73 -0.05 0.00 1.31 0.00 0.00 55.95 59.04 2kaw s SER 66 Cb -0.10 -2.49 0.43 0.00 0.21 0.00 0.00 66.02 64.08 2kaw s SER 66 CO 0.05 -1.88 1.74 0.78 0.41 0.00 0.00 173.24 174.34 2kaw h ASN 67 N -1.02 0.33 -0.44 2.44 2.35 -1.91 0.12 115.58 117.44 2kaw h ASN 67 Ca -0.44 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 2kaw h ASN 67 Cb 1.23 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 2kaw h ASN 67 CO 0.53 0.14 0.17 0.44 -1.65 0.00 0.00 177.43 177.07 2kaw h ASP 68 N 0.48 0.20 0.02 5.81 5.19 -1.96 -1.87 116.42 124.29 2kaw h ASP 68 Ca 0.40 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.66 2kaw h ASP 68 Cb 0.57 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2kaw h ASP 68 CO -0.37 0.15 -0.69 0.44 -3.12 0.00 0.00 179.24 175.64 2kaw h ASP 69 N 0.35 0.72 -0.43 6.45 3.32 -1.65 -2.35 116.42 122.83 2kaw h ASP 69 Ca 0.20 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.86 2kaw h ASP 69 Cb 0.18 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2kaw h ASP 69 CO -0.19 1.21 0.16 0.00 -1.72 0.00 0.00 179.24 178.69 2kaw h ALA 70 N 0.79 0.51 -0.22 3.45 0.00 -0.40 -1.48 119.26 121.92 2kaw h ALA 70 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2kaw h ALA 70 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2kaw h ALA 70 CO 0.13 -0.23 -0.41 0.28 0.00 0.00 0.00 179.25 179.02 2kaw h VAL 71 N 0.33 1.30 0.21 0.00 2.07 -1.35 -2.38 116.25 116.43 2kaw h VAL 71 Ca 0.20 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2kaw h VAL 71 Cb 0.18 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2kaw h VAL 71 CO -0.20 0.49 -0.29 0.03 0.02 0.00 0.00 177.57 177.62 2kaw h ARG 72 N 0.42 -0.54 -0.71 1.57 3.08 -0.75 0.17 114.38 117.61 2kaw h ARG 72 Ca 0.04 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2kaw h ARG 72 Cb 0.90 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2kaw h ARG 72 CO 0.08 -0.36 0.33 0.28 -1.07 0.00 0.00 179.97 179.22 2kaw h VAL 73 N -0.56 1.24 -0.65 2.04 2.07 -1.32 -2.67 116.25 116.40 2kaw h VAL 73 Ca 0.01 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2kaw h VAL 73 Cb 0.55 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2kaw h VAL 73 CO -0.11 0.29 0.41 0.25 0.02 0.00 0.00 177.57 178.43 2kaw h LEU 74 N 1.00 0.69 -1.31 2.57 5.85 -1.02 -1.44 115.31 121.66 2kaw h LEU 74 Ca 0.24 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2kaw h LEU 74 Cb 0.15 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2kaw h LEU 74 CO -0.03 0.49 0.48 0.03 -0.34 0.00 0.00 178.44 179.07 2kaw h ARG 75 N 0.82 0.91 -0.35 1.25 3.08 -0.34 0.31 114.38 120.07 2kaw h ARG 75 Ca 0.26 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.09 2kaw h ARG 75 Cb -0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2kaw h ARG 75 CO -0.09 0.60 -0.43 0.93 -1.07 0.00 0.00 179.97 179.92 2kaw h GLU 76 N 0.93 0.90 -0.34 0.04 4.39 -1.12 -1.96 114.58 117.43 2kaw h GLU 76 Ca 0.28 -0.51 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 2kaw h GLU 76 Cb -0.04 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kaw h GLU 76 CO -0.07 1.15 -0.30 0.82 -1.16 0.00 0.00 179.01 179.46 2kaw h ILE 77 N 0.71 1.29 -0.17 3.13 2.04 -0.52 -3.04 117.51 120.94 2kaw h ILE 77 Ca 0.05 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 2kaw h ILE 77 Cb 1.03 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2kaw h ILE 77 CO 0.10 0.48 -0.03 0.58 0.00 0.00 0.00 178.15 179.28 2kaw h VAL 78 N 0.58 1.13 -0.34 1.67 2.07 -0.37 -1.63 116.25 119.36 2kaw h VAL 78 Ca 0.06 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2kaw h VAL 78 Cb 0.87 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2kaw h VAL 78 CO 0.08 0.17 0.00 -1.20 0.02 0.00 0.00 177.57 176.64 2kaw n SER 79 N -4.36 3.48 -4.62 0.57 7.64 -0.74 -4.88 113.62 110.71 2kaw n SER 79 Ca -0.00 -2.45 -0.23 0.00 1.01 0.00 0.00 58.87 57.19 2kaw n SER 79 Cb 0.19 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.76 2kaw n SER 79 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2kaw s GLN 80 N -1.92 2.19 -0.58 1.43 2.00 -0.62 -5.04 119.66 117.12 2kaw s GLN 80 Ca 0.30 -1.50 -0.15 0.00 -2.00 0.00 0.00 55.36 52.01 2kaw s GLN 80 Cb 0.22 -2.08 0.14 0.00 0.80 0.00 0.00 33.01 32.09 2kaw s GLN 80 CO 0.10 0.33 0.53 0.99 -0.50 0.00 0.00 175.29 176.74 2kaw s THR 81 N -2.37 5.19 0.00 -0.34 2.01 -1.26 -4.99 115.64 113.87 2kaw s THR 81 Ca 0.32 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.63 2kaw s THR 81 Cb -0.05 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2kaw s THR 81 CO 0.19 -0.89 0.00 0.61 -0.69 0.00 0.00 174.62 173.84 2kaw n GLY 82 N 5.01 0.42 3.70 4.40 0.00 -1.26 -5.13 105.19 112.33 2kaw n GLY 82 Ca -0.09 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2kaw n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kaw s PRO 83 N -2.00 4.24 -0.19 1.61 0.04 -1.26 -4.70 135.00 132.75 2kaw s PRO 83 Ca 0.00 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 2kaw s PRO 83 Cb 0.00 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2kaw s PRO 83 CO 0.00 -0.62 0.06 0.42 0.04 0.00 0.00 177.00 176.90 2kaw s ILE 84 N 2.08 4.74 -0.11 0.56 1.01 -1.22 -4.99 121.20 123.26 2kaw s ILE 84 Ca 0.69 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.31 2kaw s ILE 84 Cb -0.38 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2kaw s ILE 84 CO 0.30 0.45 -0.16 -0.44 0.00 0.00 0.00 174.94 175.10 2kaw s SER 85 N 0.44 2.47 0.05 3.58 0.01 -1.26 -0.03 113.70 118.95 2kaw s SER 85 Ca 0.03 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.92 2kaw s SER 85 Cb -0.13 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 2kaw s SER 85 CO 0.01 0.03 -0.17 -0.76 0.41 0.00 0.00 173.24 172.75 2kaw s LEU 86 N 0.92 2.65 -0.35 2.44 1.43 0.15 -1.90 118.68 124.02 2kaw s LEU 86 Ca -0.08 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2kaw s LEU 86 Cb -0.15 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2kaw s LEU 86 CO -0.01 0.25 0.09 0.42 0.23 0.00 0.00 176.35 177.34 2kaw s THR 87 N -0.95 3.13 -0.19 5.49 -4.23 -0.87 -0.93 115.64 117.09 2kaw s THR 87 Ca 0.15 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 2kaw s THR 87 Cb -0.11 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2kaw s THR 87 CO 0.06 -0.38 0.31 0.68 -0.54 0.00 0.00 174.62 174.75 2kaw s VAL 88 N 1.20 5.27 -0.75 2.29 -7.23 -0.24 -1.84 120.40 119.10 2kaw s VAL 88 Ca 0.01 0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 60.56 2kaw s VAL 88 Cb -0.21 -3.65 0.13 0.00 0.56 0.00 0.00 36.38 33.21 2kaw s VAL 88 CO -0.02 0.33 0.87 0.00 -0.31 0.00 0.00 175.10 175.96 2kaw s ALA 89 N 0.90 3.51 -2.69 1.32 0.00 0.18 -0.51 121.76 124.48 2kaw s ALA 89 Ca 0.16 -2.58 0.27 0.00 0.00 0.00 0.00 51.96 49.80 2kaw s ALA 89 Cb -0.14 -3.71 0.73 0.00 0.00 0.00 0.00 23.12 20.00 2kaw s ALA 89 CO 0.06 -2.56 1.56 1.63 0.00 0.00 0.00 175.76 176.45