#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 5.14 -0.07 -1.44 1.01 -1.26 -0.16 121.20 124.42 2kaw s ILE 2 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 60.65 61.44 2kaw s ILE 2 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2kaw s ILE 2 CO 0.00 0.17 -0.18 -0.63 0.00 0.00 0.00 174.94 174.30 2kaw s ILE 3 N 1.85 2.66 -0.27 2.92 1.01 0.91 -4.97 121.20 125.31 2kaw s ILE 3 Ca 0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 2kaw s ILE 3 Cb -0.15 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2kaw s ILE 3 CO 0.09 0.57 0.03 -0.89 0.00 0.00 0.00 174.94 174.74 2kaw s THR 4 N -0.25 3.63 0.06 2.92 2.01 -1.26 -1.10 115.64 121.66 2kaw s THR 4 Ca 0.00 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.35 2kaw s THR 4 Cb -0.13 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2kaw s THR 4 CO 0.03 0.15 -0.26 0.68 -0.69 0.00 0.00 174.62 174.54 2kaw s VAL 5 N 1.46 2.08 -0.09 3.82 -7.23 0.09 -4.98 120.40 115.54 2kaw s VAL 5 Ca 0.02 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 2kaw s VAL 5 Cb -0.17 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2kaw s VAL 5 CO 0.00 0.29 0.10 0.28 -0.31 0.00 0.00 175.10 175.47 2kaw s THR 6 N -0.85 5.13 -0.11 5.32 -1.32 -1.26 -0.78 115.64 121.77 2kaw s THR 6 Ca 0.11 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.64 2kaw s THR 6 Cb -0.10 -3.24 -0.01 0.00 -1.51 0.00 0.00 72.50 67.65 2kaw s THR 6 CO 0.03 0.58 -0.20 -0.76 -2.21 0.00 0.00 174.62 172.05 2kaw s LEU 7 N -1.11 2.33 -0.41 9.08 1.43 0.24 -4.99 118.68 125.25 2kaw s LEU 7 Ca 0.16 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2kaw s LEU 7 Cb -0.12 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2kaw s LEU 7 CO 0.05 0.16 1.10 0.21 0.23 0.00 0.00 176.35 178.11 2kaw s ASN 8 N 0.35 6.75 -0.13 2.29 3.84 -1.26 -2.62 114.94 124.16 2kaw s ASN 8 Ca -0.16 0.70 0.16 0.00 0.21 0.00 0.00 52.86 53.77 2kaw s ASN 8 Cb -0.17 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.68 2kaw s ASN 8 CO 0.08 -1.09 1.59 0.23 -2.79 0.00 0.00 177.10 175.12 2kaw n MET 9 N 7.41 3.77 -0.07 0.43 2.81 -1.26 -3.58 117.12 126.63 2kaw n MET 9 Ca 0.12 -2.73 -0.07 0.00 -1.81 0.00 0.00 57.70 53.20 2kaw n MET 9 Cb 0.48 -1.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.02 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 3.84 0.00 0.00 0.03 4.39 -1.93 -3.38 114.58 117.53 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 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2kaw h GLU 10 CO 0.27 0.35 -0.52 -0.09 -1.16 0.00 0.00 179.01 177.85 2kaw h ARG 11 N -1.00 0.00 -5.83 2.33 2.43 -2.01 -3.45 114.38 106.84 2kaw h ARG 11 Ca -0.05 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.49 2kaw h ARG 11 Cb 0.51 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2kaw h ARG 11 CO -0.03 0.00 -0.47 -1.01 -1.51 0.00 0.00 179.97 176.95 2kaw s HIS 12 N -3.29 3.55 -0.61 2.20 3.76 -1.23 -4.99 115.29 114.68 2kaw s HIS 12 Ca 0.03 0.40 0.08 0.00 -0.15 0.00 0.00 55.06 55.42 2kaw s HIS 12 Cb 0.07 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 2kaw s HIS 12 CO 0.73 0.63 0.48 0.72 -0.85 0.00 0.00 174.74 176.46 2kaw n HIS 13 N 0.95 0.00 -3.62 1.40 8.25 -1.26 -4.58 115.22 116.36 2kaw n HIS 13 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 2kaw n HIS 13 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.30 -0.26 -0.03 4.41 -0.71 -1.26 -5.06 117.98 113.76 2kaw s PHE 14 Ca 0.05 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 2kaw s PHE 14 Cb 0.06 0.40 -0.26 0.00 -1.21 0.00 0.00 43.02 42.01 2kaw s PHE 14 CO 0.22 -0.84 0.70 -0.07 -1.34 0.00 0.00 175.22 173.90 2kaw h LEU 15 N 2.19 0.28 -2.18 -1.99 3.38 -1.93 0.08 115.31 115.15 2kaw h LEU 15 Ca -0.32 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 2kaw h LEU 15 Cb 1.27 -0.09 0.07 0.00 0.09 0.00 0.00 40.66 42.00 2kaw h LEU 15 CO 0.40 1.42 -0.29 0.61 0.09 0.00 0.00 178.44 180.67 2kaw n GLY 16 N 1.71 0.15 3.00 0.83 0.00 -1.26 -1.74 105.19 107.87 2kaw n GLY 16 Ca -0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.14 -0.75 0.01 -0.61 -4.36 -1.25 -0.11 121.20 110.99 2kaw s ILE 17 Ca 0.06 -0.12 -0.30 0.00 -0.26 0.00 0.00 60.65 60.02 2kaw s ILE 17 Cb -0.01 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 2kaw s ILE 17 CO 0.27 -0.13 1.21 -0.94 0.24 0.00 0.00 174.94 175.58 2kaw s SER 18 N 2.65 7.06 -0.04 4.36 1.04 0.27 -4.89 113.70 124.15 2kaw s SER 18 Ca 0.13 1.94 -0.26 0.00 0.48 0.00 0.00 55.95 58.23 2kaw s SER 18 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 2kaw s SER 18 CO -0.23 -0.53 0.83 -0.63 0.98 0.00 0.00 173.24 173.66 2kaw s ILE 19 N 1.60 4.96 -0.20 -1.02 -1.09 -1.26 -0.01 121.20 124.19 2kaw s ILE 19 Ca 0.58 1.73 0.01 0.00 -2.23 0.00 0.00 60.65 60.74 2kaw s ILE 19 Cb -0.28 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2kaw s ILE 19 CO 0.26 0.21 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.34 2kaw s VAL 20 N 0.89 1.95 -0.10 2.92 1.01 0.20 -4.87 120.40 122.40 2kaw s VAL 20 Ca 0.44 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2kaw s VAL 20 Cb -0.19 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2kaw s VAL 20 CO 0.23 0.35 0.59 -0.83 0.00 0.00 0.00 175.10 175.44 2kaw s GLY 21 N 1.30 2.47 -0.41 4.51 0.00 -1.26 -0.09 107.32 113.84 2kaw s GLY 21 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 2kaw s GLY 21 CO -0.10 1.01 1.09 1.62 0.00 0.00 0.00 173.10 176.72 2kaw s GLN 22 N 0.81 3.86 0.11 2.90 0.74 0.98 -4.97 119.66 124.09 2kaw s GLN 22 Ca 0.32 0.75 -0.00 0.00 0.05 0.00 0.00 55.36 56.47 2kaw s GLN 22 Cb -0.16 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 2kaw s GLN 22 CO 0.14 -1.16 0.28 -1.12 -0.55 0.00 0.00 175.29 172.88 2kaw s SER 23 N 2.10 6.38 0.00 6.67 0.01 -1.26 -3.03 113.70 124.57 2kaw s SER 23 Ca 0.46 0.32 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2kaw s SER 23 Cb -0.09 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2kaw s SER 23 CO 0.24 0.10 0.00 -3.20 0.41 0.00 0.00 173.24 170.79 2kaw n ASN 24 N -0.05 0.00 -0.01 2.44 2.85 -1.26 -4.95 115.26 114.29 2kaw n ASN 24 Ca -0.05 -0.24 -0.11 0.00 -0.11 0.00 0.00 54.58 54.07 2kaw n ASN 24 Cb 0.52 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.48 2kaw n ASN 24 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2kaw h ASP 25 N 0.00 0.12 0.00 1.20 3.58 -2.04 -3.28 116.42 115.99 2kaw h ASP 25 Ca 0.00 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2kaw h ASP 25 Cb 0.00 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2kaw h ASP 25 CO 0.00 0.17 -0.06 0.03 -2.88 0.00 0.00 179.24 176.51 2kaw h ARG 26 N 0.05 0.00 0.00 0.28 3.08 -2.00 -3.49 114.38 112.30 2kaw h ARG 26 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2kaw h ARG 26 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kaw h ARG 26 CO -0.00 0.90 0.00 0.41 -1.07 0.00 0.00 179.97 180.21 2kaw n GLY 27 N 1.62 1.16 2.11 0.04 0.00 -1.24 -4.98 105.19 103.89 2kaw n GLY 27 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 4.35 -0.25 1.61 5.75 -1.26 -4.55 116.55 122.20 2kaw n ASP 28 Ca 0.00 -3.41 -0.04 0.00 -0.01 0.00 0.00 54.79 51.34 2kaw n ASP 28 Cb 0.00 -0.79 0.07 0.00 -1.03 0.00 0.00 41.12 39.37 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 1.92 1.01 0.00 6.12 0.00 -1.90 -3.49 103.07 106.73 2kaw h GLY 29 Ca 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2kaw h GLY 29 CO 0.91 0.30 0.00 0.61 0.00 0.00 0.00 176.54 178.36 2kaw n GLY 30 N -1.29 1.69 3.80 4.60 0.00 -1.24 -4.74 105.19 108.01 2kaw n GLY 30 Ca 0.07 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 5.36 0.25 -0.61 -4.36 -1.26 -0.01 121.20 118.18 2kaw s ILE 31 Ca 0.00 0.38 0.08 0.00 -0.26 0.00 0.00 60.65 60.86 2kaw s ILE 31 Cb 0.00 -3.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.14 2kaw s ILE 31 CO 0.00 0.51 -0.13 -0.31 0.24 0.00 0.00 174.94 175.24 2kaw s TYR 32 N -0.29 1.93 -0.23 1.37 1.51 0.87 -1.91 117.35 120.61 2kaw s TYR 32 Ca 0.15 -0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 2kaw s TYR 32 Cb -0.13 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 2kaw s TYR 32 CO 0.04 0.43 1.13 0.42 -1.11 0.00 0.00 175.55 176.46 2kaw s ILE 33 N -2.86 4.50 0.00 2.71 -1.09 0.54 -0.63 121.20 124.38 2kaw s ILE 33 Ca 0.26 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2kaw s ILE 33 Cb -0.00 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2kaw s ILE 33 CO 0.10 -0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.20 2kaw n GLY 34 N 3.54 1.19 3.28 6.18 0.00 0.98 -0.21 105.19 120.14 2kaw n GLY 34 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 2.59 -0.04 1.61 0.01 -1.24 -4.57 113.70 111.05 2kaw s SER 35 Ca 0.00 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 2kaw s SER 35 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2kaw s SER 35 CO 0.00 0.13 0.12 -0.63 0.41 0.00 0.00 173.24 173.27 2kaw s ILE 36 N -0.93 5.09 -0.12 1.44 1.01 -1.26 -0.57 121.20 125.86 2kaw s ILE 36 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 2kaw s ILE 36 Cb -0.09 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2kaw s ILE 36 CO 0.03 0.43 -0.09 -0.04 0.00 0.00 0.00 174.94 175.26 2kaw s MET 37 N -1.55 3.33 0.26 2.79 -1.94 0.84 -4.93 119.30 118.11 2kaw s MET 37 Ca 0.21 -0.62 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 2kaw s MET 37 Cb -0.12 -2.70 -0.11 0.00 2.01 0.00 0.00 34.83 33.92 2kaw s MET 37 CO 0.12 0.31 1.54 0.21 -0.01 0.00 0.00 175.02 177.19 2kaw s LYS 38 N 0.13 4.18 0.00 2.03 2.47 -1.26 -2.22 119.74 125.07 2kaw s LYS 38 Ca -0.04 2.46 0.00 0.00 -1.56 0.00 0.00 55.97 56.83 2kaw s LYS 38 Cb -0.14 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 2kaw s LYS 38 CO 0.04 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.40 2kaw n GLY 39 N 2.36 0.38 3.85 5.54 0.00 -1.26 -5.05 105.19 111.01 2kaw n GLY 39 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.82 1.66 0.38 -0.02 0.00 -0.94 -4.82 107.32 101.76 2kaw s GLY 40 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.73 2kaw s GLY 40 CO 0.00 0.26 2.01 0.00 0.00 0.00 0.00 173.10 175.37 2kaw h ALA 41 N -0.55 1.66 -0.29 3.20 0.00 -0.49 -2.04 119.26 120.75 2kaw h ALA 41 Ca -0.44 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2kaw h ALA 41 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kaw h ALA 41 CO 0.60 0.29 -0.54 0.28 0.00 0.00 0.00 179.25 179.88 2kaw h VAL 42 N 0.72 1.28 0.00 0.00 2.07 -1.61 -3.01 116.25 115.70 2kaw h VAL 42 Ca 0.23 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2kaw h VAL 42 Cb 0.03 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2kaw h VAL 42 CO -0.06 0.56 -0.10 0.00 0.02 0.00 0.00 177.57 177.99 2kaw h ALA 43 N 0.72 1.66 0.00 1.67 0.00 -1.54 -0.45 119.26 121.31 2kaw h ALA 43 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kaw h ALA 43 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kaw h ALA 43 CO 0.12 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2kaw h ALA 44 N 1.90 1.00 0.00 0.00 0.00 -1.30 -3.34 119.26 117.52 2kaw h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kaw h ALA 44 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kaw h ALA 44 CO 0.01 0.00 -0.35 -3.47 0.00 0.00 0.00 179.25 175.45 2kaw n ASP 45 N -2.90 1.04 0.00 0.00 -0.08 -0.27 -5.02 116.55 109.32 2kaw n ASP 45 Ca 0.02 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2kaw n ASP 45 Cb 0.38 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.14 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 1.63 1.54 0.19 0.27 0.00 -0.66 -4.92 105.19 103.25 2kaw n GLY 46 Ca -0.05 0.00 0.06 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 3.47 0.00 -5.72 1.61 3.08 -1.95 -3.42 114.38 111.45 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 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2kaw h ARG 47 CO 0.00 0.36 -0.27 0.42 -1.07 0.00 0.00 179.97 179.42 2kaw s ILE 48 N -3.59 5.21 0.18 2.04 1.01 -1.26 -5.08 121.20 119.71 2kaw s ILE 48 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.33 2kaw s ILE 48 Cb 0.11 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2kaw s ILE 48 CO 0.68 0.47 0.06 -1.83 0.00 0.00 0.00 174.94 174.32 2kaw s GLU 49 N -0.18 1.10 0.29 2.79 -1.05 -1.26 -4.95 118.70 115.44 2kaw s GLU 49 Ca 0.20 -1.55 -0.30 0.00 -0.15 0.00 0.00 54.97 53.17 2kaw s GLU 49 Cb -0.14 0.05 -0.13 0.00 -0.44 0.00 0.00 34.13 33.46 2kaw s GLU 49 CO 0.08 -0.26 1.38 -2.30 0.95 0.00 0.00 175.26 175.11 2kaw n PRO 50 N -0.22 2.15 0.00 -4.83 -0.02 -1.26 -2.23 135.00 128.59 2kaw n PRO 50 Ca -0.03 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2kaw n PRO 50 Cb 0.64 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.53 1.85 3.77 -1.23 0.00 0.70 -4.96 105.19 106.85 2kaw n GLY 51 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 6.61 -0.22 1.61 1.01 -0.95 -4.65 116.67 118.51 2kaw s ASP 52 Ca 0.00 2.63 -0.15 0.00 0.71 0.00 0.00 52.55 55.74 2kaw s ASP 52 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2kaw s ASP 52 CO 0.00 -0.64 0.38 -0.32 0.21 0.00 0.00 175.17 174.80 2kaw s MET 53 N -1.98 4.12 -0.39 8.23 1.75 -0.98 -0.34 119.30 129.71 2kaw s MET 53 Ca 0.52 0.13 -0.24 0.00 -1.25 0.00 0.00 55.69 54.86 2kaw s MET 53 Cb -0.38 -3.57 0.02 0.00 2.84 0.00 0.00 34.83 33.73 2kaw s MET 53 CO 0.50 -0.10 0.82 -0.51 -0.65 0.00 0.00 175.02 175.07 2kaw s LEU 54 N 1.52 4.12 -0.13 4.11 1.43 -0.80 0.07 118.68 128.99 2kaw s LEU 54 Ca 0.17 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 2kaw s LEU 54 Cb -0.15 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kaw s LEU 54 CO 0.08 -0.83 -0.22 0.18 0.23 0.00 0.00 176.35 175.80 2kaw n LEU 55 N 6.62 1.58 -4.21 1.79 4.77 -0.19 -4.61 117.00 122.74 2kaw n LEU 55 Ca 0.04 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.18 2kaw n LEU 55 Cb 0.48 -0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 40.66 2kaw n LEU 55 CO 0.57 -0.40 -0.52 -1.58 -1.33 0.00 0.00 177.39 174.13 2kaw s GLN 56 N -2.31 1.65 -0.30 3.23 0.74 -1.18 -0.10 119.66 121.39 2kaw s GLN 56 Ca -0.18 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 2kaw s GLN 56 Cb 0.03 -1.58 0.10 0.00 1.10 0.00 0.00 33.01 32.65 2kaw s GLN 56 CO 0.27 0.43 0.10 0.08 -0.55 0.00 0.00 175.29 175.61 2kaw s VAL 57 N -0.45 0.73 -0.72 1.34 1.01 -0.75 -0.86 120.40 120.70 2kaw s VAL 57 Ca 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2kaw s VAL 57 Cb -0.08 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2kaw s VAL 57 CO -0.01 -0.65 0.66 0.59 0.00 0.00 0.00 175.10 175.70 2kaw n ASN 58 N 4.91 -6.92 0.00 3.32 4.13 -0.68 -3.79 115.26 116.24 2kaw n ASN 58 Ca -0.03 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.04 2kaw n ASN 58 Cb 0.42 -4.79 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 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 -1.98 0.00 -4.66 6.41 8.00 -1.26 -4.90 116.55 118.16 2kaw n ASP 59 Ca -0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 2kaw n ASP 59 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 3.25 -0.04 2.53 -7.23 -1.25 -4.97 120.40 112.70 2kaw s VAL 60 Ca 0.00 0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 60.32 2kaw s VAL 60 Cb 0.00 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 2kaw s VAL 60 CO 0.00 -0.04 0.38 0.21 -0.31 0.00 0.00 175.10 175.35 2kaw s ASN 61 N 4.22 6.73 0.00 4.85 2.47 -1.26 -1.81 114.94 130.14 2kaw s ASN 61 Ca 0.83 0.87 0.12 0.00 0.42 0.00 0.00 52.86 55.10 2kaw s ASN 61 Cb -0.38 -2.24 0.31 0.00 -1.45 0.00 0.00 41.25 37.50 2kaw s ASN 61 CO 0.36 0.28 1.25 0.49 -3.72 0.00 0.00 177.10 175.76 2kaw n PHE 62 N 2.19 0.46 0.26 0.43 3.72 0.86 -4.58 117.46 120.80 2kaw n PHE 62 Ca -0.13 -0.46 0.10 0.00 -0.05 0.00 0.00 57.45 56.90 2kaw n PHE 62 Cb 0.52 -0.02 0.70 0.00 -0.94 0.00 0.00 39.48 39.74 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 2.20 0.00 -0.06 -1.08 5.08 -1.88 -2.13 114.58 116.70 2kaw h GLU 63 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kaw h GLU 63 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2kaw h GLU 63 CO 0.00 0.06 -0.33 0.09 -1.00 0.00 0.00 179.01 177.84 2kaw n ASN 64 N -4.17 2.02 -4.53 1.42 3.02 -1.26 -5.02 115.26 106.73 2kaw n ASN 64 Ca -0.03 -3.71 -0.24 0.00 -0.03 0.00 0.00 54.58 50.57 2kaw n ASN 64 Cb 0.15 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.69 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 -3.16 1.84 0.55 3.52 -1.94 -0.80 -5.13 119.30 114.18 2kaw s MET 65 Ca 0.38 -1.74 -0.18 0.00 -1.71 0.00 0.00 55.69 52.44 2kaw s MET 65 Cb 0.36 -1.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.30 2kaw s MET 65 CO -0.04 0.29 1.07 -1.12 -0.01 0.00 0.00 175.02 175.21 2kaw s SER 66 N -3.57 5.90 0.17 3.03 0.01 -1.26 -4.85 113.70 113.13 2kaw s SER 66 Ca 0.31 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.37 2kaw s SER 66 Cb -0.04 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.74 2kaw s SER 66 CO 0.16 -1.08 1.68 0.78 0.41 0.00 0.00 173.24 175.19 2kaw h ASN 67 N 0.99 -0.30 -0.04 2.44 2.35 -1.94 0.53 115.58 119.61 2kaw h ASN 67 Ca -0.49 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2kaw h ASN 67 Cb 1.23 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.82 2kaw h ASN 67 CO 0.58 -0.11 0.02 0.44 -1.65 0.00 0.00 177.43 176.71 2kaw h ASP 68 N 0.03 0.05 -0.82 5.81 5.19 -1.97 -2.35 116.42 122.36 2kaw h ASP 68 Ca 0.19 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2kaw h ASP 68 Cb 0.29 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.75 2kaw h ASP 68 CO -0.38 0.06 0.46 0.44 -3.12 0.00 0.00 179.24 176.70 2kaw h ASP 69 N 0.03 1.01 -0.40 6.45 3.32 -1.84 -0.59 116.42 124.40 2kaw h ASP 69 Ca 0.01 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2kaw h ASP 69 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 2kaw h ASP 69 CO -0.00 0.81 0.21 0.00 -1.72 0.00 0.00 179.24 178.53 2kaw h ALA 70 N 1.36 0.50 -0.53 3.45 0.00 -0.65 -0.91 119.26 122.49 2kaw h ALA 70 Ca 0.29 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2kaw h ALA 70 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kaw h ALA 70 CO -0.05 -0.15 -0.06 0.28 0.00 0.00 0.00 179.25 179.28 2kaw h VAL 71 N 0.42 1.26 0.05 0.00 2.07 -0.97 -1.89 116.25 117.20 2kaw h VAL 71 Ca 0.17 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2kaw h VAL 71 Cb 0.06 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2kaw h VAL 71 CO -0.11 0.41 -0.10 0.03 0.02 0.00 0.00 177.57 177.83 2kaw h ARG 72 N 0.86 -0.19 -0.63 1.57 3.08 -0.45 0.57 114.38 119.19 2kaw h ARG 72 Ca 0.15 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2kaw h ARG 72 Cb 0.58 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2kaw h ARG 72 CO 0.04 -0.13 0.27 0.28 -1.07 0.00 0.00 179.97 179.35 2kaw h VAL 73 N -0.20 1.23 -0.89 2.04 2.07 -1.13 -2.49 116.25 116.88 2kaw h VAL 73 Ca 0.02 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kaw h VAL 73 Cb 0.22 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2kaw h VAL 73 CO -0.06 0.28 0.57 0.25 0.02 0.00 0.00 177.57 178.63 2kaw h LEU 74 N 0.87 0.94 -0.73 2.57 5.85 -1.01 -1.98 115.31 121.82 2kaw h LEU 74 Ca 0.21 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2kaw h LEU 74 Cb 0.18 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2kaw h LEU 74 CO -0.02 0.64 0.46 0.03 -0.34 0.00 0.00 178.44 179.20 2kaw h ARG 75 N 1.09 0.87 -0.83 1.25 3.08 -0.45 0.23 114.38 119.61 2kaw h ARG 75 Ca 0.36 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 2kaw h ARG 75 Cb 0.05 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 2kaw h ARG 75 CO -0.13 0.57 0.42 0.93 -1.07 0.00 0.00 179.97 180.70 2kaw h GLU 76 N 0.89 1.18 -0.13 0.04 4.39 -1.05 0.41 114.58 120.31 2kaw h GLU 76 Ca 0.29 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 2kaw h GLU 76 Cb 0.02 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2kaw h GLU 76 CO -0.11 0.88 -0.40 0.82 -1.16 0.00 0.00 179.01 179.04 2kaw h ILE 77 N 1.17 1.36 -0.27 3.13 2.04 -0.90 -2.91 117.51 121.14 2kaw h ILE 77 Ca 0.29 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2kaw h ILE 77 Cb 0.08 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2kaw h ILE 77 CO -0.04 0.51 -0.04 0.58 0.00 0.00 0.00 178.15 179.16 2kaw h VAL 78 N 0.12 1.18 -0.25 1.67 2.07 -0.34 -1.44 116.25 119.26 2kaw h VAL 78 Ca -0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2kaw h VAL 78 Cb 1.02 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2kaw h VAL 78 CO 0.09 0.25 0.00 -1.20 0.02 0.00 0.00 177.57 176.72 2kaw n SER 79 N -4.29 1.55 -4.72 0.57 7.64 0.11 -4.86 113.62 109.62 2kaw n SER 79 Ca 0.01 -1.89 -0.23 0.00 1.01 0.00 0.00 58.87 57.77 2kaw n SER 79 Cb 0.24 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.67 2.54 -0.05 1.43 2.00 -0.54 -5.04 119.66 118.32 2kaw s GLN 80 Ca 0.24 -1.28 -0.21 0.00 -2.00 0.00 0.00 55.36 52.11 2kaw s GLN 80 Cb 0.13 -2.31 -0.05 0.00 0.80 0.00 0.00 33.01 31.58 2kaw s GLN 80 CO 0.18 0.37 0.59 0.99 -0.50 0.00 0.00 175.29 176.92 2kaw s THR 81 N -2.26 5.03 0.00 -0.34 2.01 -1.26 -4.98 115.64 113.84 2kaw s THR 81 Ca 0.32 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.54 2kaw s THR 81 Cb -0.07 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2kaw s THR 81 CO 0.22 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2kaw n GLY 82 N 2.85 4.15 3.77 4.40 0.00 -1.26 -5.10 105.19 114.00 2kaw n GLY 82 Ca -0.05 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2kaw n GLY 82 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kaw s PRO 83 N -2.99 4.22 -0.19 1.61 0.02 -1.26 -4.62 135.00 131.79 2kaw s PRO 83 Ca 0.00 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 2kaw s PRO 83 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2kaw s PRO 83 CO 0.00 -0.40 0.03 0.42 -0.33 0.00 0.00 177.00 176.72 2kaw s ILE 84 N -0.85 4.43 -0.37 2.83 1.01 -1.08 -4.94 121.20 122.23 2kaw s ILE 84 Ca 0.53 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 2kaw s ILE 84 Cb -0.44 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2kaw s ILE 84 CO 0.55 0.45 0.23 -0.44 0.00 0.00 0.00 174.94 175.73 2kaw s SER 85 N 0.59 5.82 -0.19 3.58 0.01 -1.26 -0.59 113.70 121.66 2kaw s SER 85 Ca 0.01 -0.89 -0.08 0.00 1.31 0.00 0.00 55.95 56.30 2kaw s SER 85 Cb -0.13 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2kaw s SER 85 CO 0.02 -0.37 0.08 -0.76 0.41 0.00 0.00 173.24 172.62 2kaw s LEU 86 N 1.60 3.90 -0.38 2.44 1.43 0.04 -1.69 118.68 126.02 2kaw s LEU 86 Ca 0.03 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2kaw s LEU 86 Cb -0.19 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.13 2kaw s LEU 86 CO 0.08 0.16 0.14 -0.89 0.23 0.00 0.00 176.35 176.06 2kaw s THR 87 N 0.48 2.98 0.04 5.49 2.01 -0.04 -0.74 115.64 125.86 2kaw s THR 87 Ca 0.04 -2.05 0.02 0.00 0.31 0.00 0.00 61.69 60.02 2kaw s THR 87 Cb -0.12 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2kaw s THR 87 CO 0.00 -0.59 0.05 0.68 -0.69 0.00 0.00 174.62 174.07 2kaw s VAL 88 N 1.09 4.40 -0.32 3.82 -7.23 -0.25 -1.02 120.40 120.88 2kaw s VAL 88 Ca 0.07 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.50 2kaw s VAL 88 Cb -0.21 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.71 2kaw s VAL 88 CO -0.05 0.23 0.06 0.00 -0.31 0.00 0.00 175.10 175.04 2kaw s ALA 89 N -1.26 2.96 -2.92 1.32 0.00 0.11 -0.06 121.76 121.91 2kaw s ALA 89 Ca 0.25 -1.70 0.25 0.00 0.00 0.00 0.00 51.96 50.76 2kaw s ALA 89 Cb -0.12 -2.13 0.33 0.00 0.00 0.00 0.00 23.12 21.20 2kaw s ALA 89 CO 0.17 -1.24 1.34 1.63 0.00 0.00 0.00 175.76 177.66