#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 5.40 -0.09 -1.44 1.01 -1.26 0.47 121.20 125.30 2kaw s ILE 2 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2kaw s ILE 2 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.99 2kaw s ILE 2 CO 0.00 0.45 -0.18 -0.63 0.00 0.00 0.00 174.94 174.58 2kaw s ILE 3 N 0.27 1.58 -0.25 2.92 1.01 0.03 -4.97 121.20 121.79 2kaw s ILE 3 Ca 0.09 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2kaw s ILE 3 Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2kaw s ILE 3 CO -0.01 0.46 0.03 -0.89 0.00 0.00 0.00 174.94 174.52 2kaw s THR 4 N 0.60 3.81 0.02 2.92 2.01 -1.26 -1.08 115.64 122.66 2kaw s THR 4 Ca -0.15 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 61.44 2kaw s THR 4 Cb -0.16 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 2kaw s THR 4 CO 0.05 0.28 -0.21 0.68 -0.69 0.00 0.00 174.62 174.73 2kaw s VAL 5 N 1.52 2.56 -0.30 3.82 -7.23 0.39 -4.94 120.40 116.21 2kaw s VAL 5 Ca 0.05 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 2kaw s VAL 5 Cb -0.16 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.78 2kaw s VAL 5 CO 0.00 0.41 0.07 0.28 -0.31 0.00 0.00 175.10 175.56 2kaw s THR 6 N -0.82 3.78 -0.05 5.32 -1.32 -1.26 -0.10 115.64 121.18 2kaw s THR 6 Ca 0.13 -0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 59.62 2kaw s THR 6 Cb -0.10 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.84 2kaw s THR 6 CO 0.03 0.03 0.36 -0.76 -2.21 0.00 0.00 174.62 172.07 2kaw s LEU 7 N 1.45 4.41 -0.41 9.08 1.43 -0.26 -4.97 118.68 129.41 2kaw s LEU 7 Ca 0.01 0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 53.67 2kaw s LEU 7 Cb -0.18 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2kaw s LEU 7 CO 0.02 0.27 0.95 0.21 0.23 0.00 0.00 176.35 178.03 2kaw s ASN 8 N -0.69 6.61 -0.20 2.29 3.84 -1.26 -2.97 114.94 122.56 2kaw s ASN 8 Ca 0.22 0.40 0.12 0.00 0.21 0.00 0.00 52.86 53.81 2kaw s ASN 8 Cb -0.15 -2.47 0.70 0.00 -0.55 0.00 0.00 41.25 38.78 2kaw s ASN 8 CO 0.10 -0.96 1.57 0.23 -2.79 0.00 0.00 177.10 175.25 2kaw n MET 9 N 7.02 4.33 -0.08 0.43 2.81 -1.26 -3.66 117.12 126.70 2kaw n MET 9 Ca 0.07 -2.69 -0.18 0.00 -1.81 0.00 0.00 57.70 53.09 2kaw n MET 9 Cb 0.48 -2.16 -0.12 0.00 -0.71 0.00 0.00 33.22 30.71 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 3.40 0.01 0.01 0.03 4.39 -1.93 -3.39 114.58 117.10 2kaw h GLU 10 Ca 0.00 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 2kaw h GLU 10 Cb 1.77 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.38 2kaw h GLU 10 CO 0.43 1.01 -1.62 -0.09 -1.16 0.00 0.00 179.01 177.57 2kaw h ARG 11 N -0.98 0.02 -6.24 2.33 2.43 -2.02 -3.46 114.38 106.45 2kaw h ARG 11 Ca -0.18 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.39 2kaw h ARG 11 Cb 1.17 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2kaw h ARG 11 CO -0.10 0.60 -0.25 -1.01 -1.51 0.00 0.00 179.97 177.70 2kaw s HIS 12 N -2.61 3.47 -0.34 2.20 3.76 -1.24 -5.00 115.29 115.53 2kaw s HIS 12 Ca -0.05 0.68 0.07 0.00 -0.15 0.00 0.00 55.06 55.61 2kaw s HIS 12 Cb 0.08 -2.10 -0.08 0.00 1.11 0.00 0.00 32.58 31.59 2kaw s HIS 12 CO 0.82 0.39 0.31 0.72 -0.85 0.00 0.00 174.74 176.14 2kaw n HIS 13 N 0.10 0.00 -3.78 1.40 8.25 -1.26 -4.57 115.22 115.36 2kaw n HIS 13 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2kaw n HIS 13 Cb 0.52 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.74 0.03 -0.01 4.41 -0.71 -1.26 -5.06 117.98 113.64 2kaw s PHE 14 Ca 0.03 -0.39 -0.12 0.00 -1.04 0.00 0.00 56.93 55.41 2kaw s PHE 14 Cb 0.06 0.14 -0.32 0.00 -1.21 0.00 0.00 43.02 41.69 2kaw s PHE 14 CO 0.31 -0.71 0.82 -0.07 -1.34 0.00 0.00 175.22 174.23 2kaw h LEU 15 N 2.46 0.67 -2.27 -1.99 3.38 -1.94 -0.90 115.31 114.72 2kaw h LEU 15 Ca -0.32 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.73 2kaw h LEU 15 Cb 1.24 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.80 2kaw h LEU 15 CO 0.48 1.71 -0.14 0.61 0.09 0.00 0.00 178.44 181.19 2kaw n GLY 16 N 1.78 0.39 3.02 0.83 0.00 -1.26 -1.59 105.19 108.35 2kaw n GLY 16 Ca -0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.06 -0.78 -0.18 -0.61 -4.36 -1.26 0.25 121.20 111.20 2kaw s ILE 17 Ca 0.03 -0.09 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 2kaw s ILE 17 Cb -0.00 -0.93 -0.02 0.00 1.25 0.00 0.00 42.46 42.76 2kaw s ILE 17 CO 0.13 -0.10 1.36 -0.94 0.24 0.00 0.00 174.94 175.62 2kaw s SER 18 N 2.68 6.80 0.09 4.36 1.04 -0.28 -4.88 113.70 123.52 2kaw s SER 18 Ca 0.14 1.67 -0.30 0.00 0.48 0.00 0.00 55.95 57.94 2kaw s SER 18 Cb -0.14 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 2kaw s SER 18 CO -0.22 -0.89 1.14 -0.63 0.98 0.00 0.00 173.24 173.62 2kaw s ILE 19 N 3.90 4.08 -0.17 -1.02 -1.09 -1.26 -0.33 121.20 125.30 2kaw s ILE 19 Ca 0.59 1.58 -0.01 0.00 -2.23 0.00 0.00 60.65 60.58 2kaw s ILE 19 Cb -0.23 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 2kaw s ILE 19 CO 0.20 0.17 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.28 2kaw s VAL 20 N 0.63 3.02 -0.37 2.92 1.01 0.97 -4.87 120.40 123.71 2kaw s VAL 20 Ca 0.55 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2kaw s VAL 20 Cb -0.28 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2kaw s VAL 20 CO 0.31 0.49 0.50 -0.83 0.00 0.00 0.00 175.10 175.56 2kaw s GLY 21 N 0.96 1.83 -0.30 4.51 0.00 -1.26 0.27 107.32 113.32 2kaw s GLY 21 Ca -0.02 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 2kaw s GLY 21 CO -0.01 1.24 1.28 1.62 0.00 0.00 0.00 173.10 177.24 2kaw s GLN 22 N 2.35 3.93 -0.02 2.90 0.74 0.04 -5.00 119.66 124.60 2kaw s GLN 22 Ca 0.17 1.23 0.04 0.00 0.05 0.00 0.00 55.36 56.85 2kaw s GLN 22 Cb -0.16 -3.87 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 2kaw s GLN 22 CO 0.14 -1.10 -0.11 -1.12 -0.55 0.00 0.00 175.29 172.54 2kaw s SER 23 N 2.70 4.27 0.00 6.67 0.01 -1.26 -3.08 113.70 123.01 2kaw s SER 23 Ca 0.55 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2kaw s SER 23 Cb -0.16 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2kaw s SER 23 CO 0.23 0.31 0.00 -3.20 0.41 0.00 0.00 173.24 170.99 2kaw n ASN 24 N 1.94 0.00 -0.13 2.44 5.15 -1.26 -5.02 115.26 118.39 2kaw n ASN 24 Ca -0.17 -0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 53.64 2kaw n ASN 24 Cb 0.52 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.76 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kaw h ASP 25 N 0.00 0.58 0.15 1.20 5.19 -1.99 -3.33 116.42 118.22 2kaw h ASP 25 Ca 0.00 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2kaw h ASP 25 Cb 0.00 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 2kaw h ASP 25 CO 0.00 0.69 -0.07 0.03 -3.12 0.00 0.00 179.24 176.76 2kaw h ARG 26 N 0.45 -0.19 0.00 3.56 2.47 -2.02 -3.49 114.38 115.16 2kaw h ARG 26 Ca 0.11 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2kaw h ARG 26 Cb 0.35 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2kaw h ARG 26 CO 0.01 -0.13 0.00 0.41 0.56 0.00 0.00 179.97 180.82 2kaw n GLY 27 N 0.76 3.95 3.56 0.04 0.00 -1.25 -5.07 105.19 107.18 2kaw n GLY 27 Ca -0.02 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2kaw n GLY 27 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kaw s ASP 28 N 0.00 5.70 -0.06 1.61 -4.77 -1.26 -4.54 116.67 113.35 2kaw s ASP 28 Ca 0.00 -0.73 0.05 0.00 -3.30 0.00 0.00 52.55 48.57 2kaw s ASP 28 Cb 0.00 -2.56 -0.08 0.00 -1.09 0.00 0.00 42.92 39.20 2kaw s ASP 28 CO 0.00 -2.21 0.02 0.61 0.70 0.00 0.00 175.17 174.30 2kaw n GLY 29 N 6.52 -0.30 0.00 2.12 0.00 -1.18 -4.96 105.19 107.39 2kaw n GLY 29 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2kaw n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kaw n GLY 30 N 2.61 0.36 3.69 -0.02 0.00 -1.24 -4.67 105.19 105.91 2kaw n GLY 30 Ca -0.10 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.78 5.21 0.31 -0.61 -4.36 -1.26 -0.78 121.20 116.93 2kaw s ILE 31 Ca 0.00 0.12 0.10 0.00 -0.26 0.00 0.00 60.65 60.61 2kaw s ILE 31 Cb 0.00 -3.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.28 2kaw s ILE 31 CO 0.00 0.43 -0.09 -0.31 0.24 0.00 0.00 174.94 175.21 2kaw s TYR 32 N 0.50 2.45 -0.21 1.37 1.51 0.14 -0.69 117.35 122.42 2kaw s TYR 32 Ca 0.07 -0.38 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 2kaw s TYR 32 Cb -0.12 -1.25 -0.00 0.00 -0.11 0.00 0.00 41.96 40.49 2kaw s TYR 32 CO -0.00 0.61 0.95 0.42 -1.11 0.00 0.00 175.55 176.41 2kaw s ILE 33 N -2.50 4.76 0.00 2.71 -1.09 0.70 -0.02 121.20 125.76 2kaw s ILE 33 Ca 0.32 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 2kaw s ILE 33 Cb -0.02 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2kaw s ILE 33 CO 0.17 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 2kaw n GLY 34 N 3.44 0.75 3.39 6.18 0.00 0.55 -1.06 105.19 118.44 2kaw n GLY 34 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kaw n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kaw s SER 35 N -1.00 4.03 -0.04 1.61 0.01 -1.24 -4.52 113.70 112.54 2kaw s SER 35 Ca 0.00 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 2kaw s SER 35 Cb 0.00 -1.51 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 2kaw s SER 35 CO 0.00 0.19 0.47 -0.63 0.41 0.00 0.00 173.24 173.68 2kaw s ILE 36 N 0.20 5.05 -0.17 1.44 1.01 -1.26 -1.12 121.20 126.35 2kaw s ILE 36 Ca -0.08 0.96 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 2kaw s ILE 36 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2kaw s ILE 36 CO 0.05 0.46 0.05 -0.04 0.00 0.00 0.00 174.94 175.45 2kaw s MET 37 N -0.29 3.82 0.15 2.79 -1.94 0.14 -4.95 119.30 119.02 2kaw s MET 37 Ca 0.26 -0.36 -0.31 0.00 -1.71 0.00 0.00 55.69 53.57 2kaw s MET 37 Cb -0.16 -3.13 -0.09 0.00 2.01 0.00 0.00 34.83 33.45 2kaw s MET 37 CO 0.13 0.34 1.42 0.21 -0.01 0.00 0.00 175.02 177.11 2kaw s LYS 38 N 0.16 4.30 0.00 2.03 2.47 -1.26 -2.44 119.74 125.00 2kaw s LYS 38 Ca 0.04 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.60 2kaw s LYS 38 Cb -0.12 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.04 2kaw s LYS 38 CO 0.01 -0.45 0.00 0.41 0.16 0.00 0.00 175.35 175.48 2kaw n GLY 39 N 3.27 0.67 3.92 5.54 0.00 -1.26 -5.09 105.19 112.24 2kaw n GLY 39 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.97 1.61 0.42 -0.02 0.00 -1.02 -4.84 107.32 101.49 2kaw s GLY 40 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.11 2kaw s GLY 40 CO 0.00 -0.43 1.99 0.00 0.00 0.00 0.00 173.10 174.67 2kaw h ALA 41 N -0.18 1.64 -0.15 3.20 0.00 -0.70 -2.34 119.26 120.73 2kaw h ALA 41 Ca -0.45 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.11 2kaw h ALA 41 Cb 1.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kaw h ALA 41 CO 0.61 0.27 -0.77 0.28 0.00 0.00 0.00 179.25 179.63 2kaw h VAL 42 N 0.26 1.29 -0.16 0.00 2.07 -1.56 -2.79 116.25 115.36 2kaw h VAL 42 Ca 0.06 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 2kaw h VAL 42 Cb 0.20 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2kaw h VAL 42 CO 0.01 0.63 -0.07 0.00 0.02 0.00 0.00 177.57 178.15 2kaw h ALA 43 N 0.61 1.59 0.00 1.67 0.00 -1.62 -0.49 119.26 121.02 2kaw h ALA 43 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kaw h ALA 43 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kaw h ALA 43 CO 0.16 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2kaw h ALA 44 N 1.70 1.00 0.00 0.00 0.00 -1.34 -3.33 119.26 117.29 2kaw h ALA 44 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kaw h ALA 44 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kaw h ALA 44 CO 0.01 0.00 -0.06 0.22 0.00 0.00 0.00 179.25 179.43 2kaw h ASP 45 N 0.00 0.00 0.00 0.00 1.82 -0.84 -3.49 116.42 113.91 2kaw h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kaw h ASP 45 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2kaw h ASP 45 CO 0.00 0.25 0.00 0.61 -1.61 0.00 0.00 179.24 178.49 2kaw n GLY 46 N 1.85 0.71 0.11 -0.78 0.00 -0.74 -4.91 105.19 101.42 2kaw n GLY 46 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.72 0.00 -5.97 1.61 3.08 -1.95 -3.45 114.38 111.42 2kaw h ARG 47 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2kaw h ARG 47 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2kaw h ARG 47 CO 0.00 0.43 -0.17 0.42 -1.07 0.00 0.00 179.97 179.58 2kaw s ILE 48 N -2.90 5.03 0.10 2.04 1.01 -1.26 -5.09 121.20 120.13 2kaw s ILE 48 Ca -0.00 0.91 -0.00 0.00 0.00 0.00 0.00 60.65 61.55 2kaw s ILE 48 Cb 0.08 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2kaw s ILE 48 CO 0.79 0.52 0.01 -1.83 0.00 0.00 0.00 174.94 174.42 2kaw s GLU 49 N -0.68 0.83 0.16 2.79 -1.05 -1.26 -4.98 118.70 114.52 2kaw s GLU 49 Ca 0.25 -1.36 -0.34 0.00 -0.15 0.00 0.00 54.97 53.37 2kaw s GLU 49 Cb -0.17 0.12 -0.13 0.00 -0.44 0.00 0.00 34.13 33.51 2kaw s GLU 49 CO 0.13 -0.17 1.61 -2.30 0.95 0.00 0.00 175.26 175.49 2kaw n PRO 50 N -0.04 2.27 0.00 -4.83 -0.02 -1.26 -2.44 135.00 128.69 2kaw n PRO 50 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2kaw n PRO 50 Cb 0.62 -2.61 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 3.55 2.70 3.77 -1.23 0.00 -0.22 -5.00 105.19 108.76 2kaw n GLY 51 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.55 6.81 -0.12 1.61 1.01 -1.02 -4.70 116.67 118.70 2kaw s ASP 52 Ca 0.00 2.25 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 2kaw s ASP 52 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kaw s ASP 52 CO 0.00 -0.46 0.14 -0.32 0.21 0.00 0.00 175.17 174.73 2kaw s MET 53 N -2.09 3.45 -0.16 8.23 -2.45 -0.99 -0.22 119.30 125.08 2kaw s MET 53 Ca 0.53 -0.13 -0.22 0.00 -1.25 0.00 0.00 55.69 54.62 2kaw s MET 53 Cb -0.29 -3.19 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 2kaw s MET 53 CO 0.37 0.77 0.66 -0.51 1.05 0.00 0.00 175.02 177.35 2kaw s LEU 54 N -1.01 4.19 -0.05 4.11 1.43 0.13 0.28 118.68 127.77 2kaw s LEU 54 Ca 0.15 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.14 2kaw s LEU 54 Cb -0.12 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 2kaw s LEU 54 CO 0.04 -0.23 -0.10 0.18 0.23 0.00 0.00 176.35 176.46 2kaw n LEU 55 N 4.70 0.65 -4.25 1.79 4.77 0.13 -4.54 117.00 120.24 2kaw n LEU 55 Ca -0.01 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 2kaw n LEU 55 Cb 0.50 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2kaw n LEU 55 CO 0.45 -0.45 -0.55 -1.58 -1.33 0.00 0.00 177.39 173.93 2kaw s GLN 56 N -1.64 2.17 -0.29 3.23 0.74 -1.22 0.06 119.66 122.71 2kaw s GLN 56 Ca -0.09 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.47 2kaw s GLN 56 Cb 0.01 -1.94 0.10 0.00 1.10 0.00 0.00 33.01 32.27 2kaw s GLN 56 CO 0.13 0.42 0.10 0.08 -0.55 0.00 0.00 175.29 175.47 2kaw s VAL 57 N -0.31 0.63 -0.84 1.34 1.01 -0.34 -1.34 120.40 120.56 2kaw s VAL 57 Ca 0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 2kaw s VAL 57 Cb -0.11 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2kaw s VAL 57 CO 0.01 -0.64 0.73 0.59 0.00 0.00 0.00 175.10 175.80 2kaw n ASN 58 N 4.96 -5.28 0.00 3.32 4.13 -1.02 -3.60 115.26 117.77 2kaw n ASN 58 Ca -0.04 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.67 2kaw n ASN 58 Cb 0.43 -4.23 0.00 0.00 -1.54 0.00 0.00 39.78 34.44 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 -2.85 0.00 -4.72 6.41 8.00 -1.26 -4.95 116.55 117.19 2kaw n ASP 59 Ca -0.07 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 2kaw n ASP 59 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 3.13 -0.15 2.53 -7.23 -1.24 -4.99 120.40 112.45 2kaw s VAL 60 Ca 0.00 0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 60.88 2kaw s VAL 60 Cb 0.00 -3.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.37 2kaw s VAL 60 CO 0.00 0.07 0.20 0.21 -0.31 0.00 0.00 175.10 175.26 2kaw s ASN 61 N 1.09 6.37 0.00 4.85 2.47 -1.26 -1.20 114.94 127.26 2kaw s ASN 61 Ca 0.66 0.43 0.15 0.00 0.42 0.00 0.00 52.86 54.51 2kaw s ASN 61 Cb -0.38 -2.12 0.05 0.00 -1.45 0.00 0.00 41.25 37.34 2kaw s ASN 61 CO 0.31 0.23 0.87 0.49 -3.72 0.00 0.00 177.10 175.28 2kaw n PHE 62 N 2.97 0.00 -0.33 0.43 3.72 0.11 -4.59 117.46 119.77 2kaw n PHE 62 Ca -0.16 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.33 2kaw n PHE 62 Cb 0.53 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.32 2kaw n PHE 62 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kaw h GLU 63 N 2.16 0.74 -0.58 -1.08 5.08 -1.82 -1.21 114.58 117.86 2kaw h GLU 63 Ca 0.00 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 2kaw h GLU 63 Cb 0.55 -0.17 -0.18 0.00 0.50 0.00 0.00 28.75 29.45 2kaw h GLU 63 CO 0.00 0.49 0.18 0.09 -1.00 0.00 0.00 179.01 178.77 2kaw n ASN 64 N -4.77 2.90 -4.56 1.42 3.02 -1.26 -4.95 115.26 107.06 2kaw n ASN 64 Ca 0.19 -3.73 -0.25 0.00 -0.03 0.00 0.00 54.58 50.76 2kaw n ASN 64 Cb 0.44 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 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 -3.27 1.91 0.43 3.52 -1.94 -0.46 -5.12 119.30 114.36 2kaw s MET 65 Ca 0.49 -1.77 -0.23 0.00 -1.71 0.00 0.00 55.69 52.47 2kaw s MET 65 Cb 0.43 -1.84 -0.09 0.00 2.01 0.00 0.00 34.83 35.35 2kaw s MET 65 CO 0.04 0.22 1.04 -1.12 -0.01 0.00 0.00 175.02 175.19 2kaw s SER 66 N -3.62 6.64 0.21 3.03 0.01 -1.26 -4.86 113.70 113.85 2kaw s SER 66 Ca 0.32 2.00 -0.11 0.00 1.31 0.00 0.00 55.95 59.47 2kaw s SER 66 Cb -0.01 -2.58 0.27 0.00 0.21 0.00 0.00 66.02 63.91 2kaw s SER 66 CO 0.17 -0.57 1.69 0.78 0.41 0.00 0.00 173.24 175.72 2kaw h ASN 67 N 2.21 -0.10 0.05 2.44 2.35 -1.92 0.23 115.58 120.83 2kaw h ASN 67 Ca -0.49 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 2kaw h ASN 67 Cb 1.22 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 2kaw h ASN 67 CO 0.61 -0.04 -0.08 0.44 -1.65 0.00 0.00 177.43 176.71 2kaw h ASP 68 N 0.20 -0.22 -0.48 5.81 5.19 -1.98 -2.09 116.42 122.83 2kaw h ASP 68 Ca 0.30 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.66 2kaw h ASP 68 Cb 0.46 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2kaw h ASP 68 CO -0.43 -0.13 0.02 0.44 -3.12 0.00 0.00 179.24 176.03 2kaw h ASP 69 N -0.17 0.86 -0.48 6.45 3.32 -1.77 -1.82 116.42 122.80 2kaw h ASP 69 Ca 0.02 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.89 2kaw h ASP 69 Cb 0.18 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2kaw h ASP 69 CO -0.05 0.91 0.26 0.00 -1.72 0.00 0.00 179.24 178.64 2kaw h ALA 70 N 1.19 0.62 -0.58 3.45 0.00 -0.32 -0.75 119.26 122.86 2kaw h ALA 70 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kaw h ALA 70 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kaw h ALA 70 CO 0.02 -0.07 0.05 0.28 0.00 0.00 0.00 179.25 179.53 2kaw h VAL 71 N 0.52 1.26 -0.05 0.00 2.07 -1.15 -2.30 116.25 116.60 2kaw h VAL 71 Ca 0.20 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kaw h VAL 71 Cb 0.08 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2kaw h VAL 71 CO -0.12 0.39 -0.07 0.03 0.02 0.00 0.00 177.57 177.81 2kaw h ARG 72 N 0.89 -0.10 -0.78 1.57 3.08 -0.67 0.04 114.38 118.41 2kaw h ARG 72 Ca 0.17 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2kaw h ARG 72 Cb 0.49 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 2kaw h ARG 72 CO 0.02 -0.07 0.41 0.28 -1.07 0.00 0.00 179.97 179.54 2kaw h VAL 73 N -0.10 1.24 -0.95 2.04 2.07 -1.12 -2.03 116.25 117.39 2kaw h VAL 73 Ca 0.05 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2kaw h VAL 73 Cb 0.17 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2kaw h VAL 73 CO -0.11 0.27 0.63 0.25 0.02 0.00 0.00 177.57 178.63 2kaw h LEU 74 N 1.08 1.08 -0.59 2.57 5.85 -0.95 -2.15 115.31 122.20 2kaw h LEU 74 Ca 0.27 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2kaw h LEU 74 Cb 0.06 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2kaw h LEU 74 CO -0.04 0.77 0.36 0.03 -0.34 0.00 0.00 178.44 179.22 2kaw h ARG 75 N 1.26 0.69 -0.45 1.25 3.08 -0.28 0.35 114.38 120.29 2kaw h ARG 75 Ca 0.36 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2kaw h ARG 75 Cb -0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2kaw h ARG 75 CO -0.09 0.46 0.24 0.93 -1.07 0.00 0.00 179.97 180.45 2kaw h GLU 76 N 0.71 0.62 -0.31 0.04 4.39 -1.05 -0.10 114.58 118.89 2kaw h GLU 76 Ca 0.24 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 2kaw h GLU 76 Cb 0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2kaw h GLU 76 CO -0.10 0.50 -0.13 0.82 -1.16 0.00 0.00 179.01 178.93 2kaw h ILE 77 N 0.58 1.29 -0.02 3.13 2.04 -0.95 -2.53 117.51 121.04 2kaw h ILE 77 Ca 0.16 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 2kaw h ILE 77 Cb 0.06 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2kaw h ILE 77 CO -0.02 0.39 -0.15 0.58 0.00 0.00 0.00 178.15 178.95 2kaw h VAL 78 N 0.40 1.12 -0.01 1.67 2.07 -0.12 -0.92 116.25 120.46 2kaw h VAL 78 Ca 0.07 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2kaw h VAL 78 Cb 0.65 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kaw h VAL 78 CO 0.04 0.16 -0.07 -1.20 0.02 0.00 0.00 177.57 176.53 2kaw n SER 79 N -4.35 1.29 -4.96 0.57 7.64 -0.07 -4.89 113.62 108.86 2kaw n SER 79 Ca -0.02 -1.29 -0.20 0.00 1.01 0.00 0.00 58.87 58.37 2kaw n SER 79 Cb 0.23 0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.15 3.07 0.12 1.43 2.00 -0.35 -5.07 119.66 118.73 2kaw s GLN 80 Ca 0.34 -1.04 -0.14 0.00 -2.00 0.00 0.00 55.36 52.52 2kaw s GLN 80 Cb 0.21 -2.76 -0.07 0.00 0.80 0.00 0.00 33.01 31.18 2kaw s GLN 80 CO 0.39 0.10 0.52 0.95 -0.50 0.00 0.00 175.29 176.76 2kaw s THR 81 N -2.18 4.88 0.00 -0.34 -4.23 -1.26 -4.98 115.64 107.54 2kaw s THR 81 Ca 0.43 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2kaw s THR 81 Cb -0.09 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2kaw s THR 81 CO 0.30 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 2kaw n GLY 82 N 0.96 3.61 3.74 3.99 0.00 -1.26 -5.07 105.19 111.16 2kaw n GLY 82 Ca -0.07 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.87 4.40 -0.23 1.61 0.04 -1.26 -4.62 135.00 132.08 2kaw s PRO 83 Ca 0.00 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 2kaw s PRO 83 Cb 0.00 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2kaw s PRO 83 CO 0.00 -0.20 0.03 0.42 0.04 0.00 0.00 177.00 177.29 2kaw s ILE 84 N -0.21 4.07 -0.29 0.56 1.01 -1.16 -4.95 121.20 120.23 2kaw s ILE 84 Ca 0.54 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2kaw s ILE 84 Cb -0.37 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2kaw s ILE 84 CO 0.41 0.38 0.19 -0.44 0.00 0.00 0.00 174.94 175.48 2kaw s SER 85 N 1.39 5.99 -0.17 3.58 0.01 -1.26 -1.10 113.70 122.14 2kaw s SER 85 Ca 0.05 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 2kaw s SER 85 Cb -0.15 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2kaw s SER 85 CO 0.02 -0.07 0.02 -0.76 0.41 0.00 0.00 173.24 172.86 2kaw s LEU 86 N 1.75 3.59 -0.38 2.44 1.43 0.86 -2.43 118.68 125.94 2kaw s LEU 86 Ca 0.07 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2kaw s LEU 86 Cb -0.16 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.26 2kaw s LEU 86 CO 0.11 0.17 0.17 -0.89 0.23 0.00 0.00 176.35 176.14 2kaw s THR 87 N 0.36 3.40 0.11 5.49 2.01 -0.45 -0.46 115.64 126.10 2kaw s THR 87 Ca 0.00 -1.77 0.05 0.00 0.31 0.00 0.00 61.69 60.28 2kaw s THR 87 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2kaw s THR 87 CO 0.01 -0.52 0.05 0.68 -0.69 0.00 0.00 174.62 174.15 2kaw s VAL 88 N 1.22 4.22 -0.35 3.82 -7.23 -0.24 -0.70 120.40 121.14 2kaw s VAL 88 Ca 0.04 -0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 59.14 2kaw s VAL 88 Cb -0.22 -3.05 0.03 0.00 0.56 0.00 0.00 36.38 33.69 2kaw s VAL 88 CO -0.02 0.06 0.16 0.00 -0.31 0.00 0.00 175.10 174.98 2kaw s ALA 89 N -1.45 3.18 -2.81 1.32 0.00 0.14 -0.79 121.76 121.34 2kaw s ALA 89 Ca 0.28 -1.68 0.25 0.00 0.00 0.00 0.00 51.96 50.81 2kaw s ALA 89 Cb -0.11 -2.43 0.51 0.00 0.00 0.00 0.00 23.12 21.09 2kaw s ALA 89 CO 0.20 -1.30 1.44 1.63 0.00 0.00 0.00 175.76 177.74