#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 4.65 -0.12 -1.44 1.01 -1.26 0.41 121.20 124.45 2kaw s ILE 2 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2kaw s ILE 2 Cb 0.00 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.37 2kaw s ILE 2 CO 0.00 0.44 -0.20 -0.63 0.00 0.00 0.00 174.94 174.55 2kaw s ILE 3 N 0.59 1.87 -0.41 2.92 1.01 0.47 -4.97 121.20 122.67 2kaw s ILE 3 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2kaw s ILE 3 Cb -0.13 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.72 2kaw s ILE 3 CO 0.01 0.51 0.29 -0.89 0.00 0.00 0.00 174.94 174.87 2kaw s THR 4 N 0.77 4.94 0.22 2.92 2.01 -1.26 -1.24 115.64 124.01 2kaw s THR 4 Ca -0.09 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.11 2kaw s THR 4 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2kaw s THR 4 CO 0.00 -0.37 -0.02 0.68 -0.69 0.00 0.00 174.62 174.23 2kaw s VAL 5 N 1.61 3.49 -0.02 3.82 -7.23 0.23 -4.94 120.40 117.36 2kaw s VAL 5 Ca 0.04 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2kaw s VAL 5 Cb -0.21 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 2kaw s VAL 5 CO 0.08 -0.25 -0.20 0.28 -0.31 0.00 0.00 175.10 174.70 2kaw s THR 6 N -2.03 2.57 -0.08 5.32 -1.32 -1.26 0.07 115.64 118.92 2kaw s THR 6 Ca 0.29 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2kaw s THR 6 Cb -0.08 -1.97 -0.02 0.00 -1.51 0.00 0.00 72.50 68.92 2kaw s THR 6 CO 0.19 0.54 -0.16 -0.76 -2.21 0.00 0.00 174.62 172.22 2kaw s LEU 7 N -0.79 2.62 -0.41 9.08 1.43 0.12 -4.98 118.68 125.74 2kaw s LEU 7 Ca 0.11 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 2kaw s LEU 7 Cb -0.10 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2kaw s LEU 7 CO 0.01 0.27 0.83 0.21 0.23 0.00 0.00 176.35 177.90 2kaw s ASN 8 N -0.31 6.51 -0.03 2.29 3.84 -1.26 -3.11 114.94 122.87 2kaw s ASN 8 Ca 0.02 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.48 2kaw s ASN 8 Cb -0.13 -2.41 0.63 0.00 -0.55 0.00 0.00 41.25 38.79 2kaw s ASN 8 CO 0.03 -0.86 1.53 0.23 -2.79 0.00 0.00 177.10 175.23 2kaw n MET 9 N 6.70 2.86 -0.03 0.43 2.81 -1.26 -3.74 117.12 124.89 2kaw n MET 9 Ca 0.04 -2.55 -0.18 0.00 -1.81 0.00 0.00 57.70 53.21 2kaw n MET 9 Cb 0.48 -1.62 -0.13 0.00 -0.71 0.00 0.00 33.22 31.23 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 4.00 0.12 0.00 0.03 4.39 -1.92 -3.36 114.58 117.84 2kaw h GLU 10 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kaw h GLU 10 Cb 1.05 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2kaw h GLU 10 CO 0.06 1.09 -0.86 -2.13 -1.16 0.00 0.00 179.01 176.02 2kaw n ARG 11 N -4.36 0.36 -3.60 2.33 0.63 -1.26 -4.91 116.66 105.85 2kaw n ARG 11 Ca -0.16 0.06 -0.20 0.00 -0.92 0.00 0.00 57.85 56.63 2kaw n ARG 11 Cb 0.66 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 2kaw n ARG 11 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kaw s HIS 12 N -3.22 2.89 0.00 -0.14 3.76 -1.25 -5.03 115.29 112.29 2kaw s HIS 12 Ca 0.04 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2kaw s HIS 12 Cb 0.13 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2kaw s HIS 12 CO 0.76 0.01 0.00 0.72 -0.85 0.00 0.00 174.74 175.38 2kaw n HIS 13 N -1.52 0.00 -3.92 1.40 8.25 -1.26 -4.74 115.22 113.43 2kaw n HIS 13 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2kaw n HIS 13 Cb 0.60 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.21 0.26 -0.05 4.41 -0.71 -1.26 -5.07 117.98 114.35 2kaw s PHE 14 Ca 0.00 -0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 55.21 2kaw s PHE 14 Cb 0.00 0.15 -0.29 0.00 -1.21 0.00 0.00 43.02 41.67 2kaw s PHE 14 CO 0.00 -0.88 0.66 -0.07 -1.34 0.00 0.00 175.22 173.59 2kaw h LEU 15 N 2.34 0.50 -2.15 -1.99 3.38 -1.94 0.11 115.31 115.55 2kaw h LEU 15 Ca -0.29 -0.80 -0.09 0.00 0.09 0.00 0.00 57.88 56.80 2kaw h LEU 15 Cb 1.25 -0.16 0.05 0.00 0.09 0.00 0.00 40.66 41.88 2kaw h LEU 15 CO 0.40 1.68 -0.22 0.61 0.09 0.00 0.00 178.44 181.00 2kaw n GLY 16 N 1.83 0.25 2.99 0.83 0.00 -1.26 -1.41 105.19 108.41 2kaw n GLY 16 Ca -0.24 -0.24 -0.05 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 -3.10 -0.74 0.08 -0.61 -4.36 -1.26 0.18 121.20 111.39 2kaw s ILE 17 Ca 0.03 -0.10 -0.31 0.00 -0.26 0.00 0.00 60.65 60.02 2kaw s ILE 17 Cb -0.00 -0.91 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 2kaw s ILE 17 CO 0.21 -0.12 1.25 -0.94 0.24 0.00 0.00 174.94 175.58 2kaw s SER 18 N 2.65 7.01 -0.19 4.36 1.04 -0.42 -4.89 113.70 123.26 2kaw s SER 18 Ca 0.14 2.11 -0.20 0.00 0.48 0.00 0.00 55.95 58.48 2kaw s SER 18 Cb -0.14 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 2kaw s SER 18 CO -0.21 -0.52 0.57 -0.63 0.98 0.00 0.00 173.24 173.43 2kaw s ILE 19 N 1.06 5.07 -0.17 -1.02 -1.09 -1.26 0.68 121.20 124.46 2kaw s ILE 19 Ca 0.60 1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 60.07 2kaw s ILE 19 Cb -0.32 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2kaw s ILE 19 CO 0.30 0.15 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.41 2kaw s VAL 20 N 1.71 3.51 -0.27 2.92 1.01 0.81 -4.87 120.40 125.22 2kaw s VAL 20 Ca 0.27 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2kaw s VAL 20 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kaw s VAL 20 CO 0.10 0.48 0.33 -0.83 0.00 0.00 0.00 175.10 175.18 2kaw s GLY 21 N 0.74 1.90 -0.53 4.51 0.00 -1.26 0.20 107.32 112.88 2kaw s GLY 21 Ca -0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.55 2kaw s GLY 21 CO 0.02 0.89 1.48 1.62 0.00 0.00 0.00 173.10 177.11 2kaw s GLN 22 N 1.95 3.27 0.14 2.90 0.74 -0.16 -4.99 119.66 123.52 2kaw s GLN 22 Ca 0.13 0.60 -0.08 0.00 0.05 0.00 0.00 55.36 56.06 2kaw s GLN 22 Cb -0.16 -4.14 -0.06 0.00 1.10 0.00 0.00 33.01 29.75 2kaw s GLN 22 CO 0.10 -1.96 0.43 -1.12 -0.55 0.00 0.00 175.29 172.19 2kaw s SER 23 N 4.82 6.58 0.00 6.67 0.01 -1.26 -3.12 113.70 127.40 2kaw s SER 23 Ca 0.57 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2kaw s SER 23 Cb -0.12 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2kaw s SER 23 CO 0.26 0.06 0.00 -3.20 0.41 0.00 0.00 173.24 170.77 2kaw n ASN 24 N 0.30 0.00 -0.03 2.44 2.85 -1.26 -4.99 115.26 114.57 2kaw n ASN 24 Ca -0.03 -0.09 -0.12 0.00 -0.11 0.00 0.00 54.58 54.22 2kaw n ASN 24 Cb 0.52 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.47 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 0.15 0.43 1.20 3.32 -2.04 -3.33 116.42 116.16 2kaw h ASP 25 Ca 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 2kaw h ASP 25 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kaw h ASP 25 CO 0.00 0.43 -0.21 0.03 -1.72 0.00 0.00 179.24 177.78 2kaw h ARG 26 N -0.14 -0.56 0.00 3.56 2.47 -1.99 -3.48 114.38 114.24 2kaw h ARG 26 Ca 0.02 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2kaw h ARG 26 Cb 0.36 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2kaw h ARG 26 CO 0.01 -0.37 0.00 0.41 0.56 0.00 0.00 179.97 180.58 2kaw n GLY 27 N 0.31 1.94 2.37 0.04 0.00 -1.25 -4.99 105.19 103.60 2kaw n GLY 27 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 6.50 0.19 1.61 5.75 -1.26 -4.46 116.55 124.88 2kaw n ASP 28 Ca 0.00 -3.00 0.08 0.00 -0.01 0.00 0.00 54.79 51.86 2kaw n ASP 28 Cb 0.00 -1.31 0.23 0.00 -1.03 0.00 0.00 41.12 39.01 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 4.54 0.00 0.00 6.12 0.00 -1.93 -3.50 103.07 108.31 2kaw h GLY 29 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2kaw h GLY 29 CO 0.85 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.00 2kaw n GLY 30 N 0.81 -0.64 3.76 4.60 0.00 -1.26 -4.64 105.19 107.82 2kaw n GLY 30 Ca 0.02 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.38 5.13 0.25 -0.61 -4.36 -1.26 -0.99 121.20 116.98 2kaw s ILE 31 Ca 0.00 0.08 0.09 0.00 -0.26 0.00 0.00 60.65 60.56 2kaw s ILE 31 Cb 0.00 -3.27 -0.05 0.00 1.25 0.00 0.00 42.46 40.39 2kaw s ILE 31 CO 0.00 0.54 -0.14 -0.31 0.24 0.00 0.00 174.94 175.27 2kaw s TYR 32 N -0.38 1.98 -0.31 1.37 1.51 0.13 -1.03 117.35 120.62 2kaw s TYR 32 Ca 0.10 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.36 2kaw s TYR 32 Cb -0.12 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2kaw s TYR 32 CO 0.02 0.46 1.01 0.42 -1.11 0.00 0.00 175.55 176.34 2kaw s ILE 33 N -2.82 4.59 0.00 2.71 -1.09 0.83 -0.13 121.20 125.28 2kaw s ILE 33 Ca 0.27 1.64 0.00 0.00 -2.23 0.00 0.00 60.65 60.33 2kaw s ILE 33 Cb -0.01 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2kaw s ILE 33 CO 0.11 -0.40 0.18 0.61 -1.23 0.00 0.00 174.94 174.21 2kaw n GLY 34 N 3.89 -0.38 3.01 6.18 0.00 0.21 -1.30 105.19 116.81 2kaw n GLY 34 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.21 0.23 -0.05 1.61 0.01 -1.25 -4.58 113.70 107.46 2kaw s SER 35 Ca 0.00 -0.49 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 2kaw s SER 35 Cb 0.00 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 2kaw s SER 35 CO 0.00 -0.33 0.23 -0.63 0.41 0.00 0.00 173.24 172.92 2kaw s ILE 36 N -1.62 5.36 -0.23 1.44 1.01 -1.26 -1.30 121.20 124.60 2kaw s ILE 36 Ca -0.14 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 2kaw s ILE 36 Cb -0.08 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2kaw s ILE 36 CO -0.01 0.52 -0.00 -0.04 0.00 0.00 0.00 174.94 175.40 2kaw s MET 37 N -1.32 3.45 0.11 2.79 -1.94 0.13 -4.94 119.30 117.57 2kaw s MET 37 Ca 0.21 -0.59 -0.33 0.00 -1.71 0.00 0.00 55.69 53.26 2kaw s MET 37 Cb -0.13 -3.12 -0.13 0.00 2.01 0.00 0.00 34.83 33.45 2kaw s MET 37 CO 0.10 -0.21 1.69 1.17 -0.01 0.00 0.00 175.02 177.76 2kaw n LYS 38 N 4.84 2.28 0.00 2.03 3.00 -1.26 -2.05 118.16 127.00 2kaw n LYS 38 Ca -0.17 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 2kaw n LYS 38 Cb 0.51 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.90 2kaw n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kaw n GLY 39 N 3.77 2.53 3.85 3.14 0.00 -1.26 -5.08 105.19 112.15 2kaw n GLY 39 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.31 1.59 0.35 -0.02 0.00 -0.87 -4.79 107.32 101.26 2kaw s GLY 40 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.21 2kaw s GLY 40 CO 0.00 -0.04 1.96 0.00 0.00 0.00 0.00 173.10 175.01 2kaw h ALA 41 N -1.16 1.48 -0.05 3.20 0.00 -0.37 -2.08 119.26 120.29 2kaw h ALA 41 Ca -0.47 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 2kaw h ALA 41 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kaw h ALA 41 CO 0.64 0.42 -0.78 0.28 0.00 0.00 0.00 179.25 179.81 2kaw h VAL 42 N 0.71 1.40 0.00 0.00 2.07 -1.50 -2.91 116.25 116.03 2kaw h VAL 42 Ca 0.18 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 2kaw h VAL 42 Cb 0.07 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2kaw h VAL 42 CO -0.02 0.67 -0.16 0.00 0.02 0.00 0.00 177.57 178.08 2kaw h ALA 43 N 0.94 1.55 0.00 1.67 0.00 -1.51 -0.68 119.26 121.22 2kaw h ALA 43 Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2kaw h ALA 43 Cb 1.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2kaw h ALA 43 CO 0.13 0.19 -0.26 0.00 0.00 0.00 0.00 179.25 179.31 2kaw h ALA 44 N 1.84 0.86 -1.18 0.00 0.00 -1.26 -3.38 119.26 116.14 2kaw h ALA 44 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kaw h ALA 44 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kaw h ALA 44 CO 0.02 0.23 0.00 -3.47 0.00 0.00 0.00 179.25 176.03 2kaw n ASP 45 N -3.11 0.00 0.00 0.00 -0.08 -0.30 -4.99 116.55 108.07 2kaw n ASP 45 Ca 0.03 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2kaw n ASP 45 Cb 0.61 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.76 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 1.81 3.16 0.15 0.27 0.00 -0.96 -4.90 105.19 104.72 2kaw n GLY 46 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.66 0.00 -6.08 1.61 3.08 -1.94 -3.42 114.38 110.29 2kaw h ARG 47 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2kaw h ARG 47 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2kaw h ARG 47 CO 0.00 0.54 -0.13 0.42 -1.07 0.00 0.00 179.97 179.73 2kaw s ILE 48 N -3.51 4.93 0.12 2.04 1.01 -1.26 -5.08 121.20 119.44 2kaw s ILE 48 Ca -0.00 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.56 2kaw s ILE 48 Cb 0.11 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 2kaw s ILE 48 CO 0.73 0.55 0.21 -1.83 0.00 0.00 0.00 174.94 174.60 2kaw s GLU 49 N -0.96 0.95 -0.16 2.79 -1.05 -1.26 -5.00 118.70 114.01 2kaw s GLU 49 Ca 0.26 -1.07 -0.35 0.00 -0.15 0.00 0.00 54.97 53.66 2kaw s GLU 49 Cb -0.18 0.35 -0.12 0.00 -0.44 0.00 0.00 34.13 33.74 2kaw s GLU 49 CO 0.15 -0.32 1.94 -2.30 0.95 0.00 0.00 175.26 175.69 2kaw n PRO 50 N -0.11 1.87 0.00 -4.83 -0.02 -1.26 -1.75 135.00 128.90 2kaw n PRO 50 Ca -0.12 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2kaw n PRO 50 Cb 0.63 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.81 1.94 3.77 -1.23 0.00 -0.42 -5.02 105.19 109.04 2kaw n GLY 51 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 6.23 -0.14 1.61 1.01 -0.72 -4.72 116.67 118.20 2kaw s ASP 52 Ca 0.00 2.38 -0.08 0.00 0.71 0.00 0.00 52.55 55.57 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 -0.88 0.13 -0.32 0.21 0.00 0.00 175.17 174.31 2kaw s MET 53 N -2.54 3.59 -0.23 8.23 1.75 -0.41 -0.12 119.30 129.56 2kaw s MET 53 Ca 0.61 -0.16 -0.16 0.00 -1.25 0.00 0.00 55.69 54.73 2kaw s MET 53 Cb -0.31 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 2kaw s MET 53 CO 0.38 0.67 0.43 -0.51 -0.65 0.00 0.00 175.02 175.34 2kaw s LEU 54 N -0.72 4.10 0.00 4.11 1.43 -0.20 0.40 118.68 127.80 2kaw s LEU 54 Ca 0.13 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 2kaw s LEU 54 Cb -0.12 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2kaw s LEU 54 CO 0.03 -0.16 0.00 0.18 0.23 0.00 0.00 176.35 176.62 2kaw n LEU 55 N 4.99 0.00 -4.53 1.79 4.77 -0.12 -4.52 117.00 119.38 2kaw n LEU 55 Ca -0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 2kaw n LEU 55 Cb 0.51 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 2kaw n LEU 55 CO 0.39 -0.26 -0.38 -1.58 -1.33 0.00 0.00 177.39 174.23 2kaw s GLN 56 N -0.52 3.10 -0.35 3.23 0.74 -1.23 -0.31 119.66 124.33 2kaw s GLN 56 Ca 0.00 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.85 2kaw s GLN 56 Cb 0.00 -2.68 0.11 0.00 1.10 0.00 0.00 33.01 31.54 2kaw s GLN 56 CO 0.00 0.48 0.12 0.08 -0.55 0.00 0.00 175.29 175.43 2kaw s VAL 57 N -0.31 1.24 -0.65 1.34 1.01 0.25 -0.94 120.40 122.34 2kaw s VAL 57 Ca 0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 2kaw s VAL 57 Cb -0.13 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2kaw s VAL 57 CO 0.02 -0.72 0.67 0.59 0.00 0.00 0.00 175.10 175.66 2kaw n ASN 58 N 4.43 -7.80 0.00 3.32 4.13 -0.68 -3.55 115.26 115.10 2kaw n ASN 58 Ca 0.02 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2kaw n ASN 58 Cb 0.40 -5.31 0.00 0.00 -1.54 0.00 0.00 39.78 33.33 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 -1.38 0.00 -4.73 6.41 9.92 -1.26 -4.92 116.55 120.58 2kaw n ASP 59 Ca 0.03 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.88 2kaw n ASP 59 Cb 0.49 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 2kaw n ASP 59 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2kaw s VAL 60 N 0.00 3.88 -0.12 2.53 -7.23 -1.23 -5.03 120.40 113.20 2kaw s VAL 60 Ca 0.00 1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 61.70 2kaw s VAL 60 Cb 0.00 -4.01 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 2kaw s VAL 60 CO 0.00 0.25 0.08 0.21 -0.31 0.00 0.00 175.10 175.33 2kaw s ASN 61 N 0.05 5.84 0.00 4.85 2.47 -1.26 -0.58 114.94 126.31 2kaw s ASN 61 Ca 0.51 0.28 0.10 0.00 0.42 0.00 0.00 52.86 54.17 2kaw s ASN 61 Cb -0.29 -1.83 0.18 0.00 -1.45 0.00 0.00 41.25 37.85 2kaw s ASN 61 CO 0.34 0.35 1.02 0.49 -3.72 0.00 0.00 177.10 175.58 2kaw n PHE 62 N 2.33 0.19 -0.05 0.43 3.72 0.58 -4.61 117.46 120.06 2kaw n PHE 62 Ca -0.19 -0.22 0.07 0.00 -0.05 0.00 0.00 57.45 57.07 2kaw n PHE 62 Cb 0.54 -0.01 0.45 0.00 -0.94 0.00 0.00 39.48 39.51 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 2.03 0.50 -0.57 -1.08 5.08 -1.85 -2.49 114.58 116.20 2kaw h GLU 63 Ca 0.00 -0.03 -0.40 0.00 -1.00 0.00 0.00 59.36 57.93 2kaw h GLU 63 Cb 0.57 -0.11 -0.29 0.00 0.50 0.00 0.00 28.75 29.41 2kaw h GLU 63 CO 0.00 0.33 -0.50 0.09 -1.00 0.00 0.00 179.01 177.93 2kaw n ASN 64 N -4.47 4.21 -4.20 1.42 3.02 -1.26 -4.97 115.26 109.01 2kaw n ASN 64 Ca 0.06 -3.79 -0.16 0.00 -0.03 0.00 0.00 54.58 50.65 2kaw n ASN 64 Cb 0.19 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.50 0.90 0.53 3.52 -1.94 -0.94 -5.13 119.30 112.73 2kaw s MET 65 Ca 0.49 -1.13 -0.22 0.00 -1.71 0.00 0.00 55.69 53.11 2kaw s MET 65 Cb 0.41 -0.73 -0.05 0.00 2.01 0.00 0.00 34.83 36.47 2kaw s MET 65 CO 0.01 0.14 1.36 -1.12 -0.01 0.00 0.00 175.02 175.39 2kaw s SER 66 N -2.27 5.39 0.18 3.03 0.01 -1.26 -4.79 113.70 113.99 2kaw s SER 66 Ca 0.05 2.77 -0.13 0.00 1.31 0.00 0.00 55.95 59.94 2kaw s SER 66 Cb -0.05 -2.64 0.16 0.00 0.21 0.00 0.00 66.02 63.70 2kaw s SER 66 CO 0.02 -1.49 1.75 0.78 0.41 0.00 0.00 173.24 174.70 2kaw h ASN 67 N 1.61 0.16 -0.57 2.44 2.35 -1.92 0.31 115.58 119.95 2kaw h ASN 67 Ca -0.51 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.19 2kaw h ASN 67 Cb 1.29 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 2kaw h ASN 67 CO 0.58 0.12 -0.07 0.44 -1.65 0.00 0.00 177.43 176.85 2kaw h ASP 68 N 0.33 1.05 -0.11 5.81 5.19 -1.96 -2.47 116.42 124.27 2kaw h ASP 68 Ca 0.23 -0.33 -0.09 0.00 -0.62 0.00 0.00 57.03 56.22 2kaw h ASP 68 Cb 0.25 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2kaw h ASP 68 CO -0.24 1.13 -0.21 -0.78 -3.12 0.00 0.00 179.24 176.02 2kaw h ASP 69 N 0.95 0.52 -0.54 6.45 3.58 -1.73 -2.01 116.42 123.64 2kaw h ASP 69 Ca 0.15 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2kaw h ASP 69 Cb 0.64 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2kaw h ASP 69 CO 0.04 0.74 0.25 0.00 -2.88 0.00 0.00 179.24 177.39 2kaw h ALA 70 N 1.31 0.69 -0.59 -0.78 0.00 -0.17 -2.45 119.26 117.27 2kaw h ALA 70 Ca 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kaw h ALA 70 Cb 0.63 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2kaw h ALA 70 CO 0.04 0.27 0.14 0.28 0.00 0.00 0.00 179.25 179.99 2kaw h VAL 71 N 0.72 1.24 -0.07 0.00 2.07 -1.11 -0.14 116.25 118.96 2kaw h VAL 71 Ca 0.18 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2kaw h VAL 71 Cb 0.14 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2kaw h VAL 71 CO -0.02 0.33 -0.10 0.03 0.02 0.00 0.00 177.57 177.83 2kaw h ARG 72 N 0.88 -0.12 -0.36 1.57 3.08 -0.92 0.18 114.38 118.68 2kaw h ARG 72 Ca 0.19 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 2kaw h ARG 72 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2kaw h ARG 72 CO -0.00 -0.08 -0.29 0.28 -1.07 0.00 0.00 179.97 178.81 2kaw h VAL 73 N -0.13 1.28 -0.70 2.04 2.07 -1.29 -2.98 116.25 116.55 2kaw h VAL 73 Ca 0.06 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2kaw h VAL 73 Cb 0.22 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2kaw h VAL 73 CO -0.15 0.47 0.43 0.25 0.02 0.00 0.00 177.57 178.59 2kaw h LEU 74 N 0.66 0.70 -1.23 2.57 5.85 -0.46 -1.70 115.31 121.70 2kaw h LEU 74 Ca 0.08 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2kaw h LEU 74 Cb 0.82 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2kaw h LEU 74 CO 0.07 0.48 0.54 0.03 -0.34 0.00 0.00 178.44 179.22 2kaw h ARG 75 N 0.84 0.94 -0.48 1.25 3.08 -0.52 0.23 114.38 119.72 2kaw h ARG 75 Ca 0.28 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 2kaw h ARG 75 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2kaw h ARG 75 CO -0.12 0.62 0.18 0.93 -1.07 0.00 0.00 179.97 180.51 2kaw h GLU 76 N 0.97 0.72 -0.34 0.04 4.39 -1.23 0.11 114.58 119.23 2kaw h GLU 76 Ca 0.34 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 2kaw h GLU 76 Cb 0.12 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kaw h GLU 76 CO -0.11 0.66 -0.32 0.82 -1.16 0.00 0.00 179.01 178.90 2kaw h ILE 77 N 0.63 1.29 -0.61 3.13 2.04 -0.86 -2.58 117.51 120.55 2kaw h ILE 77 Ca 0.16 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 2kaw h ILE 77 Cb 0.22 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2kaw h ILE 77 CO -0.01 0.49 0.10 0.58 0.00 0.00 0.00 178.15 179.31 2kaw h VAL 78 N 0.61 1.25 -0.32 1.67 2.07 -0.42 -2.19 116.25 118.92 2kaw h VAL 78 Ca 0.06 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2kaw h VAL 78 Cb 0.90 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2kaw h VAL 78 CO 0.08 0.37 0.00 -1.20 0.02 0.00 0.00 177.57 176.84 2kaw n SER 79 N -4.22 2.78 -4.47 0.57 7.64 0.35 -4.86 113.62 111.41 2kaw n SER 79 Ca 0.04 -2.27 -0.26 0.00 1.01 0.00 0.00 58.87 57.39 2kaw n SER 79 Cb 0.28 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.73 1.68 0.21 1.43 2.00 -0.83 -5.01 119.66 117.41 2kaw s GLN 80 Ca 0.26 -1.59 -0.17 0.00 -2.00 0.00 0.00 55.36 51.86 2kaw s GLN 80 Cb 0.17 -1.87 -0.08 0.00 0.80 0.00 0.00 33.01 32.04 2kaw s GLN 80 CO 0.11 0.37 0.66 0.95 -0.50 0.00 0.00 175.29 176.89 2kaw s THR 81 N -2.03 4.68 0.00 -0.34 -4.23 -1.26 -4.95 115.64 107.51 2kaw s THR 81 Ca 0.25 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 2kaw s THR 81 Cb -0.07 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2kaw s THR 81 CO 0.13 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2kaw n GLY 82 N 0.60 2.32 3.72 3.99 0.00 -1.26 -5.07 105.19 109.49 2kaw n GLY 82 Ca -0.03 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.68 4.55 -0.26 1.61 0.04 -1.26 -4.61 135.00 133.39 2kaw s PRO 83 Ca 0.00 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 2kaw s PRO 83 Cb 0.00 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 2kaw s PRO 83 CO 0.00 -0.05 0.19 0.42 0.04 0.00 0.00 177.00 177.59 2kaw s ILE 84 N 0.69 5.33 -0.32 0.56 1.01 -1.18 -4.93 121.20 122.35 2kaw s ILE 84 Ca 0.53 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 61.30 2kaw s ILE 84 Cb -0.25 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2kaw s ILE 84 CO 0.30 0.29 0.12 -0.44 0.00 0.00 0.00 174.94 175.20 2kaw s SER 85 N 1.43 5.33 -0.22 3.58 0.01 -1.26 0.11 113.70 122.67 2kaw s SER 85 Ca 0.08 -0.82 -0.08 0.00 1.31 0.00 0.00 55.95 56.44 2kaw s SER 85 Cb -0.15 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2kaw s SER 85 CO 0.08 -0.25 0.08 -0.76 0.41 0.00 0.00 173.24 172.79 2kaw s LEU 86 N 1.50 3.68 -0.56 2.44 1.43 0.11 -1.69 118.68 125.59 2kaw s LEU 86 Ca 0.02 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2kaw s LEU 86 Cb -0.18 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.22 2kaw s LEU 86 CO 0.04 0.07 0.45 -0.89 0.23 0.00 0.00 176.35 176.24 2kaw s THR 87 N 1.00 4.48 -0.04 5.49 2.01 -0.11 -0.60 115.64 127.86 2kaw s THR 87 Ca 0.04 -2.04 -0.03 0.00 0.31 0.00 0.00 61.69 59.97 2kaw s THR 87 Cb -0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2kaw s THR 87 CO 0.03 -0.84 0.14 0.68 -0.69 0.00 0.00 174.62 173.94 2kaw s VAL 88 N 0.98 5.25 -0.29 3.82 -7.23 -0.37 -0.94 120.40 121.62 2kaw s VAL 88 Ca 0.09 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.09 2kaw s VAL 88 Cb -0.23 -3.39 0.02 0.00 0.56 0.00 0.00 36.38 33.34 2kaw s VAL 88 CO -0.02 0.42 0.05 0.00 -0.31 0.00 0.00 175.10 175.24 2kaw s ALA 89 N -1.20 2.97 -2.89 1.32 0.00 0.16 -0.40 121.76 121.73 2kaw s ALA 89 Ca 0.22 -1.48 0.25 0.00 0.00 0.00 0.00 51.96 50.95 2kaw s ALA 89 Cb -0.12 -2.04 0.39 0.00 0.00 0.00 0.00 23.12 21.34 2kaw s ALA 89 CO 0.13 -0.94 1.37 1.63 0.00 0.00 0.00 175.76 177.96